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 2ns1_1_A DATA FIRST_RESID 3 DATA SEQUENCE AVADKADNAF MMICTALVLF MTIPGIALFY GGLIRGKNVL SMLTQVTVTF DATA SEQUENCE ALVCILWVVY GYSLAFGEGN NFFGNINWLM LKNIELTAVM GSIYQYIHVA DATA SEQUENCE FQGSFACITV GLIVGALAER IRFSAVLIFV VVWLTLSYIP IAHMVWGGGL DATA SEQUENCE LASHGALDFA GGTVVHINAA IAGLVGAYLI GKRVGFGKEA FKPHNLPMVF DATA SEQUENCE TGTAILYIGW FGFNAGSAGT ANEIAALAFV NTVVATAAAI LGWIFGEWAL DATA SEQUENCE RGKPSLLGAC SGAIAGLVGV TPACGYIGVG GALIIGVVAG LAGLWGVTML DATA SEQUENCE KRLLRVDDPC DVFGVHGVCG IVGCIMTGIF AASSLGGVGF AEGVTMGHQL DATA SEQUENCE LVQLESIAIT IVWSGVVAFI GYKLADLTVG LRVPEEQERE GLDVNSHGEN DATA SEQUENCE AYNA 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 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.564 177.584 -0.033 0.000 1.274 3 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 3 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 4 V N 1.216 121.097 119.914 -0.055 0.000 2.628 4 V HA 0.729 4.849 4.120 -0.000 0.000 0.306 4 V C 0.469 176.470 176.094 -0.155 0.000 1.045 4 V CA -0.306 61.946 62.300 -0.079 0.000 0.905 4 V CB 1.392 33.185 31.823 -0.051 0.000 0.997 4 V HN 1.283 nan 8.190 nan 0.000 0.436 5 A N 2.300 124.954 122.820 -0.277 0.000 2.363 5 A HA 0.411 4.731 4.320 -0.000 0.000 0.270 5 A C -0.070 177.356 177.584 -0.263 0.000 1.121 5 A CA -0.190 51.585 52.037 -0.437 0.000 0.800 5 A CB 0.190 18.524 19.000 -1.111 0.000 1.052 5 A HN 0.832 nan 8.150 nan 0.000 0.493 6 D N 2.109 122.392 120.400 -0.196 0.000 2.280 6 D HA 0.155 4.795 4.640 -0.000 0.000 0.243 6 D C 0.756 176.997 176.300 -0.099 0.000 1.129 6 D CA -0.191 53.739 54.000 -0.116 0.000 0.848 6 D CB 0.886 41.635 40.800 -0.085 0.000 1.107 6 D HN 0.536 nan 8.370 nan 0.000 0.471 7 K N 2.412 122.776 120.400 -0.059 0.000 2.209 7 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 7 K C 1.649 178.249 176.600 -0.000 0.000 1.048 7 K CA 0.893 57.170 56.287 -0.017 0.000 0.940 7 K CB 0.155 32.661 32.500 0.010 0.000 0.729 7 K HN 0.436 nan 8.250 nan 0.000 0.451 8 A N 1.859 124.672 122.820 -0.012 0.000 1.930 8 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 8 A C 1.581 179.184 177.584 0.031 0.000 1.175 8 A CA 1.606 53.642 52.037 -0.001 0.000 0.627 8 A CB -0.193 18.788 19.000 -0.032 0.000 0.815 8 A HN 0.140 nan 8.150 nan 0.000 0.443 9 D N 0.083 120.488 120.400 0.009 0.000 2.149 9 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 9 D C 1.601 177.933 176.300 0.053 0.000 0.972 9 D CA 0.876 54.904 54.000 0.046 0.000 0.835 9 D CB -0.367 40.423 40.800 -0.016 0.000 0.966 9 D HN 0.314 nan 8.370 nan 0.000 0.476 10 N N 1.173 119.876 118.700 0.006 0.000 2.043 10 N HA -0.142 4.598 4.740 -0.000 0.000 0.193 10 N C 1.808 177.349 175.510 0.052 0.000 1.037 10 N CA 1.475 54.539 53.050 0.023 0.000 0.851 10 N CB -0.506 38.010 38.487 0.048 0.000 1.027 10 N HN 0.122 nan 8.380 nan 0.000 0.422 11 A N 0.845 123.707 122.820 0.069 0.000 1.865 11 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 11 A C 2.182 179.832 177.584 0.111 0.000 1.191 11 A CA 1.361 53.446 52.037 0.080 0.000 0.623 11 A CB -1.143 17.904 19.000 0.077 0.000 0.826 11 A HN 0.300 nan 8.150 nan 0.000 0.444 12 F N -0.013 119.925 119.950 -0.020 0.000 2.126 12 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 12 F C 2.204 177.985 175.800 -0.031 0.000 1.096 12 F CA 1.974 59.964 58.000 -0.017 0.000 1.255 12 F CB -0.197 38.786 39.000 -0.030 0.000 0.997 12 F HN 0.104 nan 8.300 nan 0.000 0.479 13 M N -0.694 118.821 119.600 -0.141 0.000 2.288 13 M HA -0.117 4.363 4.480 -0.000 0.000 0.266 13 M C 2.236 178.436 176.300 -0.166 0.000 1.072 13 M CA 1.215 56.327 55.300 -0.314 0.000 1.132 13 M CB -1.096 31.352 32.600 -0.253 0.000 1.386 13 M HN 0.277 nan 8.290 nan 0.000 0.432 14 M N -0.296 119.270 119.600 -0.057 0.000 2.132 14 M HA -0.180 4.300 4.480 -0.000 0.000 0.263 14 M C 1.895 178.189 176.300 -0.010 0.000 1.065 14 M CA 1.181 56.480 55.300 -0.002 0.000 1.122 14 M CB -0.239 32.376 32.600 0.024 0.000 1.365 14 M HN 0.108 nan 8.290 nan 0.000 0.411 15 I N -0.378 120.168 120.570 -0.040 0.000 2.315 15 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 15 I C 2.498 178.587 176.117 -0.046 0.000 1.117 15 I CA 1.139 62.421 61.300 -0.030 0.000 1.404 15 I CB -1.496 36.502 38.000 -0.004 0.000 1.071 15 I HN 0.396 nan 8.210 nan 0.000 0.419 16 C N 0.791 119.990 119.300 -0.168 0.000 2.413 16 C HA -0.173 4.286 4.460 -0.000 0.000 0.276 16 C C 3.000 178.093 174.990 0.171 0.000 1.248 16 C CA 1.516 60.485 59.018 -0.081 0.000 1.742 16 C CB -1.162 26.382 27.740 -0.326 0.000 2.017 16 C HN 0.528 nan 8.230 nan 0.000 0.481 17 T N 1.204 115.881 114.554 0.204 0.000 2.708 17 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 17 T C 2.148 176.919 174.700 0.117 0.000 1.037 17 T CA 1.729 63.973 62.100 0.240 0.000 1.146 17 T CB -0.518 68.467 68.868 0.196 0.000 0.865 17 T HN 0.650 nan 8.240 nan 0.000 0.435 18 A N 1.206 124.070 122.820 0.074 0.000 1.917 18 A HA -0.060 4.259 4.320 -0.000 0.000 0.219 18 A C 2.330 179.956 177.584 0.070 0.000 1.182 18 A CA 1.377 53.441 52.037 0.045 0.000 0.633 18 A CB -0.934 18.064 19.000 -0.004 0.000 0.819 18 A HN 0.487 nan 8.150 nan 0.000 0.448 19 L N -0.723 120.556 121.223 0.093 0.000 2.056 19 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 19 L C 2.518 179.479 176.870 0.151 0.000 1.078 19 L CA 1.020 55.958 54.840 0.162 0.000 0.749 19 L CB -0.433 41.724 42.059 0.163 0.000 0.901 19 L HN 0.266 nan 8.230 nan 0.000 0.433 20 V N -0.031 119.936 119.914 0.089 0.000 2.358 20 V HA -0.266 3.853 4.120 -0.000 0.000 0.246 20 V C 2.372 178.453 176.094 -0.022 0.000 1.047 20 V CA 1.429 63.715 62.300 -0.023 0.000 1.035 20 V CB -0.369 31.384 31.823 -0.117 0.000 0.658 20 V HN 0.342 nan 8.190 nan 0.000 0.452 21 L N -1.154 120.102 121.223 0.055 0.000 2.079 21 L HA -0.198 4.141 4.340 -0.000 0.000 0.210 21 L C 2.416 179.330 176.870 0.073 0.000 1.081 21 L CA 1.620 56.523 54.840 0.105 0.000 0.752 21 L CB -0.646 41.506 42.059 0.154 0.000 0.896 21 L HN 0.330 nan 8.230 nan 0.000 0.433 22 F N 0.685 120.587 119.950 -0.080 0.000 2.216 22 F HA -0.219 4.308 4.527 -0.000 0.000 0.300 22 F C 2.372 178.092 175.800 -0.134 0.000 1.085 22 F CA 1.310 59.251 58.000 -0.099 0.000 1.326 22 F CB -0.340 38.628 39.000 -0.053 0.000 1.027 22 F HN 0.006 nan 8.300 nan 0.000 0.497 23 M N -1.020 118.500 119.600 -0.133 0.000 2.213 23 M HA -0.202 4.278 4.480 -0.000 0.000 0.263 23 M C 1.837 177.962 176.300 -0.292 0.000 1.062 23 M CA 2.119 57.242 55.300 -0.295 0.000 1.105 23 M CB -0.657 31.723 32.600 -0.366 0.000 1.385 23 M HN 0.011 nan 8.290 nan 0.000 0.417 24 T N 0.086 114.507 114.554 -0.222 0.000 2.901 24 T HA 0.150 4.500 4.350 -0.000 0.000 0.252 24 T C 0.823 175.357 174.700 -0.275 0.000 1.035 24 T CA 0.624 62.592 62.100 -0.219 0.000 1.142 24 T CB 0.325 69.126 68.868 -0.112 0.000 0.869 24 T HN 0.043 nan 8.240 nan 0.000 0.442 25 I N 3.375 123.752 120.570 -0.322 0.000 2.412 25 I HA 0.276 4.446 4.170 -0.000 0.000 0.279 25 I C -2.115 173.938 176.117 -0.107 0.000 1.063 25 I CA -2.687 58.424 61.300 -0.315 0.000 1.193 25 I CB 1.114 38.772 38.000 -0.570 0.000 1.370 25 I HN 0.065 nan 8.210 nan 0.000 0.479 26 P HA 0.178 nan 4.420 nan 0.000 0.282 26 P C 1.248 178.421 177.300 -0.211 0.000 1.373 26 P CA 0.160 63.163 63.100 -0.162 0.000 1.001 26 P CB 1.046 32.693 31.700 -0.089 0.000 1.489 27 G N 1.760 110.369 108.800 -0.318 0.000 2.514 27 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 27 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 27 G C 1.298 176.062 174.900 -0.225 0.000 1.198 27 G CA 0.818 45.726 45.100 -0.320 0.000 0.780 27 G HN 0.257 nan 8.290 nan 0.000 0.565 28 I N 1.599 122.012 120.570 -0.261 0.000 2.439 28 I HA 0.145 4.315 4.170 -0.000 0.000 0.251 28 I C 2.937 178.931 176.117 -0.205 0.000 1.139 28 I CA 0.940 62.048 61.300 -0.320 0.000 1.438 28 I CB -0.357 37.418 38.000 -0.374 0.000 1.085 28 I HN 0.201 nan 8.210 nan 0.000 0.427 29 A N 0.283 123.037 122.820 -0.109 0.000 1.877 29 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 29 A C 2.279 179.878 177.584 0.025 0.000 1.186 29 A CA 1.853 53.880 52.037 -0.016 0.000 0.620 29 A CB -0.924 18.049 19.000 -0.044 0.000 0.822 29 A HN 0.462 nan 8.150 nan 0.000 0.443 30 L N -2.323 118.898 121.223 -0.004 0.000 2.109 30 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 30 L C 2.462 179.365 176.870 0.056 0.000 1.086 30 L CA 1.236 56.091 54.840 0.024 0.000 0.760 30 L CB -0.544 41.510 42.059 -0.008 0.000 0.910 30 L HN 0.489 nan 8.230 nan 0.000 0.437 31 F N 0.209 120.088 119.950 -0.118 0.000 2.046 31 F HA -0.310 4.217 4.527 -0.000 0.000 0.297 31 F C 2.437 178.264 175.800 0.046 0.000 1.123 31 F CA 1.767 59.703 58.000 -0.106 0.000 1.199 31 F CB -0.324 38.532 39.000 -0.240 0.000 0.972 31 F HN -0.053 nan 8.300 nan 0.000 0.474 32 Y N 0.590 120.945 120.300 0.091 0.000 2.263 32 Y HA 0.065 4.615 4.550 -0.000 0.000 0.292 32 Y C 2.722 178.615 175.900 -0.012 0.000 1.130 32 Y CA 0.565 58.667 58.100 0.003 0.000 1.179 32 Y CB -1.577 36.936 38.460 0.088 0.000 0.998 32 Y HN 0.145 nan 8.280 nan 0.000 0.532 33 G N -0.283 108.631 108.800 0.190 0.000 2.469 33 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 33 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 33 G C 2.068 177.099 174.900 0.219 0.000 1.150 33 G CA 1.065 46.267 45.100 0.170 0.000 0.763 33 G HN 0.518 nan 8.290 nan 0.000 0.561 34 G N 0.374 109.221 108.800 0.079 0.000 2.448 34 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.218 34 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.218 34 G C 1.722 176.606 174.900 -0.027 0.000 1.135 34 G CA 0.374 45.439 45.100 -0.058 0.000 0.784 34 G HN 0.432 nan 8.290 nan 0.000 0.543 35 L N 0.556 121.761 121.223 -0.031 0.000 2.313 35 L HA 0.231 4.571 4.340 -0.000 0.000 0.214 35 L C 1.663 178.561 176.870 0.047 0.000 1.119 35 L CA 0.097 54.913 54.840 -0.041 0.000 0.809 35 L CB -0.286 41.713 42.059 -0.101 0.000 0.933 35 L HN 0.371 nan 8.230 nan 0.000 0.449 36 I N -2.855 117.777 120.570 0.104 0.000 3.501 36 I HA 0.338 4.507 4.170 -0.000 0.000 0.297 36 I C 0.298 176.496 176.117 0.134 0.000 1.199 36 I CA -1.053 60.289 61.300 0.070 0.000 0.987 36 I CB 0.825 38.824 38.000 -0.003 0.000 1.365 36 I HN -0.154 nan 8.210 nan 0.000 0.574 37 R N 0.539 121.050 120.500 0.017 0.000 2.531 37 R HA 0.276 4.616 4.340 -0.000 0.000 0.273 37 R C 1.288 177.455 176.300 -0.222 0.000 1.070 37 R CA 0.341 56.433 56.100 -0.014 0.000 1.112 37 R CB 0.923 31.224 30.300 0.002 0.000 1.049 37 R HN 0.912 nan 8.270 nan 0.000 0.508 38 G N 1.880 110.502 108.800 -0.298 0.000 2.442 38 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.219 38 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.219 38 G C 1.087 175.860 174.900 -0.211 0.000 1.141 38 G CA 0.890 45.730 45.100 -0.434 0.000 0.763 38 G HN 0.679 nan 8.290 nan 0.000 0.554 39 K N -0.219 120.116 120.400 -0.110 0.000 2.442 39 K HA 0.071 4.391 4.320 -0.000 0.000 0.198 39 K C 1.175 177.726 176.600 -0.082 0.000 1.042 39 K CA 1.035 57.279 56.287 -0.072 0.000 0.958 39 K CB 0.017 32.496 32.500 -0.035 0.000 0.766 39 K HN 0.143 nan 8.250 nan 0.000 0.474 40 N N 0.687 119.323 118.700 -0.107 0.000 2.171 40 N HA -0.024 4.716 4.740 -0.000 0.000 0.212 40 N C 1.311 176.773 175.510 -0.081 0.000 1.184 40 N CA 0.106 53.110 53.050 -0.076 0.000 0.888 40 N CB 0.940 39.384 38.487 -0.073 0.000 1.038 40 N HN 0.025 nan 8.380 nan 0.000 0.517 41 V N 1.544 121.372 119.914 -0.144 0.000 2.287 41 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 41 V C 1.983 178.027 176.094 -0.083 0.000 1.053 41 V CA 1.503 63.745 62.300 -0.097 0.000 1.027 41 V CB -0.233 31.519 31.823 -0.119 0.000 0.646 41 V HN 0.213 nan 8.190 nan 0.000 0.447 42 L N 0.742 121.885 121.223 -0.133 0.000 2.191 42 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 42 L C 2.754 179.505 176.870 -0.198 0.000 1.103 42 L CA 1.774 56.514 54.840 -0.166 0.000 0.769 42 L CB -0.886 41.063 42.059 -0.183 0.000 0.908 42 L HN 0.623 nan 8.230 nan 0.000 0.438 43 S N -0.223 115.434 115.700 -0.071 0.000 2.383 43 S HA -0.247 4.223 4.470 -0.000 0.000 0.227 43 S C 1.947 176.562 174.600 0.025 0.000 1.026 43 S CA 1.181 59.392 58.200 0.019 0.000 0.981 43 S CB -0.369 62.934 63.200 0.172 0.000 0.818 43 S HN 0.295 nan 8.310 nan 0.000 0.472 44 M N 2.241 121.854 119.600 0.022 0.000 2.099 44 M HA 0.170 4.650 4.480 -0.000 0.000 0.262 44 M C 1.915 178.242 176.300 0.044 0.000 1.067 44 M CA 1.439 56.776 55.300 0.063 0.000 1.124 44 M CB -0.974 31.675 32.600 0.082 0.000 1.353 44 M HN 0.369 nan 8.290 nan 0.000 0.410 45 L N -1.201 120.014 121.223 -0.014 0.000 2.046 45 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 45 L C 2.168 179.008 176.870 -0.051 0.000 1.077 45 L CA 1.789 56.607 54.840 -0.036 0.000 0.747 45 L CB -1.677 40.341 42.059 -0.067 0.000 0.896 45 L HN 0.326 nan 8.230 nan 0.000 0.432 46 T N -1.033 113.440 114.554 -0.134 0.000 2.777 46 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 46 T C 1.928 176.714 174.700 0.144 0.000 1.040 46 T CA 1.160 63.174 62.100 -0.144 0.000 1.141 46 T CB -0.193 68.292 68.868 -0.638 0.000 0.868 46 T HN 0.356 nan 8.240 nan 0.000 0.444 47 Q N 0.337 120.276 119.800 0.232 0.000 2.061 47 Q HA -0.091 4.249 4.340 -0.000 0.000 0.204 47 Q C 2.606 178.719 176.000 0.189 0.000 0.984 47 Q CA 1.290 57.284 55.803 0.319 0.000 0.846 47 Q CB -0.492 28.395 28.738 0.248 0.000 0.902 47 Q HN 0.334 nan 8.270 nan 0.000 0.421 48 V N 0.533 120.525 119.914 0.130 0.000 2.295 48 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 48 V C 2.192 178.351 176.094 0.109 0.000 1.049 48 V CA 2.230 64.589 62.300 0.099 0.000 1.024 48 V CB -0.844 31.007 31.823 0.047 0.000 0.648 48 V HN 0.458 nan 8.190 nan 0.000 0.447 49 T N -0.188 114.414 114.554 0.080 0.000 2.777 49 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 49 T C 1.885 176.703 174.700 0.197 0.000 1.040 49 T CA 1.640 63.791 62.100 0.085 0.000 1.141 49 T CB -0.159 68.726 68.868 0.029 0.000 0.868 49 T HN 0.299 nan 8.240 nan 0.000 0.444 50 V N 2.163 122.201 119.914 0.206 0.000 2.488 50 V HA -0.118 4.002 4.120 -0.000 0.000 0.246 50 V C 3.012 179.201 176.094 0.158 0.000 1.046 50 V CA 1.882 64.314 62.300 0.219 0.000 1.053 50 V CB -1.188 30.845 31.823 0.349 0.000 0.679 50 V HN 0.713 nan 8.190 nan 0.000 0.458 51 T N -1.332 113.306 114.554 0.140 0.000 2.821 51 T HA -0.252 4.098 4.350 -0.000 0.000 0.267 51 T C 1.840 176.606 174.700 0.110 0.000 1.046 51 T CA 1.655 63.811 62.100 0.093 0.000 1.139 51 T CB -0.669 68.249 68.868 0.083 0.000 0.871 51 T HN 0.374 nan 8.240 nan 0.000 0.454 52 F N 2.981 122.932 119.950 0.003 0.000 2.065 52 F HA -0.028 4.499 4.527 -0.000 0.000 0.298 52 F C 2.660 178.451 175.800 -0.014 0.000 1.112 52 F CA 1.457 59.444 58.000 -0.022 0.000 1.212 52 F CB -0.929 38.058 39.000 -0.021 0.000 0.975 52 F HN 0.276 nan 8.300 nan 0.000 0.476 53 A N 0.252 123.131 122.820 0.098 0.000 1.902 53 A HA -0.166 4.153 4.320 -0.000 0.000 0.217 53 A C 2.107 179.650 177.584 -0.069 0.000 1.181 53 A CA 1.735 53.767 52.037 -0.008 0.000 0.623 53 A CB -1.295 17.773 19.000 0.112 0.000 0.818 53 A HN 0.527 nan 8.150 nan 0.000 0.443 54 L N -0.026 121.185 121.223 -0.020 0.000 2.017 54 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 54 L C 2.409 179.241 176.870 -0.064 0.000 1.073 54 L CA 1.955 56.781 54.840 -0.024 0.000 0.745 54 L CB -0.576 41.484 42.059 0.001 0.000 0.894 54 L HN 0.157 nan 8.230 nan 0.000 0.432 55 V N -1.120 118.738 119.914 -0.095 0.000 2.343 55 V HA -0.363 3.756 4.120 -0.000 0.000 0.247 55 V C 2.658 178.662 176.094 -0.150 0.000 1.051 55 V CA 1.893 64.121 62.300 -0.119 0.000 1.036 55 V CB -0.906 30.819 31.823 -0.163 0.000 0.654 55 V HN 0.642 nan 8.190 nan 0.000 0.451 56 C N -0.241 118.892 119.300 -0.279 0.000 2.413 56 C HA -0.149 4.311 4.460 -0.000 0.000 0.276 56 C C 2.588 177.528 174.990 -0.084 0.000 1.248 56 C CA 0.573 59.441 59.018 -0.249 0.000 1.742 56 C CB -0.992 26.518 27.740 -0.382 0.000 2.017 56 C HN 0.472 nan 8.230 nan 0.000 0.481 57 I N 0.727 121.246 120.570 -0.085 0.000 2.233 57 I HA -0.101 4.069 4.170 -0.000 0.000 0.243 57 I C 2.391 178.459 176.117 -0.081 0.000 1.093 57 I CA 1.607 62.874 61.300 -0.055 0.000 1.380 57 I CB -1.439 36.539 38.000 -0.036 0.000 1.067 57 I HN 0.338 nan 8.210 nan 0.000 0.413 58 L N -0.846 120.306 121.223 -0.118 0.000 2.131 58 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 58 L C 2.610 179.257 176.870 -0.372 0.000 1.092 58 L CA 1.333 55.979 54.840 -0.323 0.000 0.759 58 L CB -0.606 41.293 42.059 -0.267 0.000 0.903 58 L HN 0.449 nan 8.230 nan 0.000 0.435 59 W N 0.202 121.325 121.300 -0.295 0.000 2.355 59 W HA -0.232 4.428 4.660 -0.000 0.000 0.309 59 W C 2.409 178.861 176.519 -0.112 0.000 1.206 59 W CA 1.978 59.218 57.345 -0.175 0.000 1.284 59 W CB -0.054 29.333 29.460 -0.122 0.000 1.145 59 W HN 0.044 nan 8.180 nan 0.000 0.502 60 V N 0.526 120.420 119.914 -0.033 0.000 2.548 60 V HA -0.211 3.909 4.120 -0.000 0.000 0.249 60 V C 1.983 178.013 176.094 -0.107 0.000 1.055 60 V CA 1.767 64.003 62.300 -0.108 0.000 1.065 60 V CB -0.490 31.294 31.823 -0.064 0.000 0.681 60 V HN 0.012 nan 8.190 nan 0.000 0.462 61 V N 0.548 120.393 119.914 -0.115 0.000 2.270 61 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 61 V C 2.049 178.169 176.094 0.044 0.000 1.043 61 V CA 2.830 65.111 62.300 -0.030 0.000 1.014 61 V CB -0.648 31.180 31.823 0.008 0.000 0.645 61 V HN 0.905 nan 8.190 nan 0.000 0.447 62 Y N -2.131 118.148 120.300 -0.035 0.000 2.491 62 Y HA 0.556 5.106 4.550 -0.000 0.000 0.276 62 Y C 1.914 177.745 175.900 -0.114 0.000 1.041 62 Y CA 0.360 58.428 58.100 -0.053 0.000 1.191 62 Y CB -0.522 37.910 38.460 -0.047 0.000 1.365 62 Y HN -0.024 nan 8.280 nan 0.000 0.566 63 G N 0.924 109.492 108.800 -0.387 0.000 2.404 63 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.215 63 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.215 63 G C 1.409 175.899 174.900 -0.683 0.000 1.174 63 G CA 1.328 46.226 45.100 -0.337 0.000 0.780 63 G HN 0.497 nan 8.290 nan 0.000 0.537 64 Y N 1.621 121.160 120.300 -1.269 0.000 2.181 64 Y HA -0.114 4.436 4.550 -0.000 0.000 0.288 64 Y C 3.100 178.918 175.900 -0.137 0.000 1.146 64 Y CA 1.741 59.197 58.100 -1.073 0.000 1.164 64 Y CB -0.512 37.413 38.460 -0.892 0.000 0.982 64 Y HN 0.232 nan 8.280 nan 0.000 0.515 65 S N -0.087 115.604 115.700 -0.014 0.000 2.353 65 S HA -0.191 4.279 4.470 -0.000 0.000 0.222 65 S C 2.003 176.567 174.600 -0.059 0.000 1.035 65 S CA 1.801 60.064 58.200 0.105 0.000 1.025 65 S CB -0.620 62.669 63.200 0.149 0.000 0.902 65 S HN 0.527 nan 8.310 nan 0.000 0.440 66 L N 0.640 121.830 121.223 -0.054 0.000 2.291 66 L HA 0.031 4.371 4.340 -0.000 0.000 0.214 66 L C 2.632 179.441 176.870 -0.102 0.000 1.120 66 L CA 0.892 55.697 54.840 -0.059 0.000 0.799 66 L CB -0.441 41.616 42.059 -0.002 0.000 0.925 66 L HN 0.383 nan 8.230 nan 0.000 0.446 67 A N -0.573 122.181 122.820 -0.110 0.000 1.861 67 A HA -0.034 4.286 4.320 -0.000 0.000 0.212 67 A C 1.741 179.164 177.584 -0.269 0.000 1.199 67 A CA 1.128 53.074 52.037 -0.152 0.000 0.613 67 A CB -0.375 18.616 19.000 -0.014 0.000 0.846 67 A HN 0.316 nan 8.150 nan 0.000 0.446 68 F N -0.002 119.919 119.950 -0.048 0.000 2.720 68 F HA 0.301 4.827 4.527 -0.000 0.000 0.301 68 F C 1.650 177.496 175.800 0.077 0.000 1.103 68 F CA -0.212 57.796 58.000 0.013 0.000 1.291 68 F CB -0.032 38.874 39.000 -0.158 0.000 1.086 68 F HN 0.226 nan 8.300 nan 0.000 0.592 69 G N 0.548 109.364 108.800 0.027 0.000 2.544 69 G HA2 0.173 4.132 3.960 -0.000 0.000 0.242 69 G HA3 0.173 4.132 3.960 -0.000 0.000 0.242 69 G C -0.367 174.474 174.900 -0.097 0.000 1.247 69 G CA -0.411 44.522 45.100 -0.277 0.000 0.840 69 G HN 0.193 nan 8.290 nan 0.000 0.578 70 E N -0.143 119.967 120.200 -0.149 0.000 2.316 70 E HA 0.465 4.815 4.350 -0.000 0.000 0.275 70 E C 0.761 177.300 176.600 -0.102 0.000 1.029 70 E CA 0.588 56.957 56.400 -0.051 0.000 0.871 70 E CB 1.213 30.878 29.700 -0.059 0.000 1.022 70 E HN 0.597 nan 8.360 nan 0.000 0.418 71 G N 2.981 111.734 108.800 -0.077 0.000 3.400 71 G HA2 0.084 4.044 3.960 -0.000 0.000 0.167 71 G HA3 0.084 4.044 3.960 -0.000 0.000 0.167 71 G C -0.636 174.157 174.900 -0.177 0.000 1.196 71 G CA -0.302 44.690 45.100 -0.179 0.000 1.174 71 G HN 0.581 nan 8.290 nan 0.000 0.681 72 N N -0.518 117.991 118.700 -0.317 0.000 2.823 72 N HA 0.276 5.016 4.740 -0.000 0.000 0.324 72 N C 0.598 175.963 175.510 -0.240 0.000 1.336 72 N CA -0.555 52.329 53.050 -0.278 0.000 0.861 72 N CB 0.293 38.568 38.487 -0.352 0.000 1.157 72 N HN 0.146 nan 8.380 nan 0.000 0.585 73 N N -1.288 117.168 118.700 -0.408 0.000 2.443 73 N HA -0.003 4.737 4.740 -0.000 0.000 0.184 73 N C 0.033 175.029 175.510 -0.857 0.000 1.037 73 N CA 0.974 53.588 53.050 -0.727 0.000 0.896 73 N CB -0.305 37.532 38.487 -1.083 0.000 0.959 73 N HN 0.494 nan 8.380 nan 0.000 0.442 74 F N -1.563 118.322 119.950 -0.109 0.000 2.747 74 F HA 0.273 4.800 4.527 -0.000 0.000 0.305 74 F C 0.256 176.019 175.800 -0.061 0.000 1.065 74 F CA -0.519 57.447 58.000 -0.057 0.000 1.230 74 F CB 0.213 39.268 39.000 0.092 0.000 1.027 74 F HN -0.192 nan 8.300 nan 0.000 0.607 75 F N -1.807 118.019 119.950 -0.208 0.000 2.685 75 F HA 0.843 5.370 4.527 -0.000 0.000 0.315 75 F C 0.406 175.613 175.800 -0.988 0.000 1.126 75 F CA -1.671 55.957 58.000 -0.620 0.000 0.950 75 F CB 0.371 39.232 39.000 -0.231 0.000 1.360 75 F HN -0.078 nan 8.300 nan 0.000 0.469 76 G N 0.494 108.939 108.800 -0.592 0.000 3.311 76 G HA2 0.445 4.405 3.960 -0.000 0.000 0.169 76 G HA3 0.445 4.405 3.960 -0.000 0.000 0.169 76 G C -1.004 173.828 174.900 -0.114 0.000 1.852 76 G CA 0.177 45.039 45.100 -0.398 0.000 1.010 76 G HN 1.072 nan 8.290 nan 0.000 0.530 77 N N -2.018 116.604 118.700 -0.130 0.000 3.204 77 N HA 0.399 5.139 4.740 -0.000 0.000 0.285 77 N C -0.180 175.265 175.510 -0.109 0.000 1.536 77 N CA -0.602 52.385 53.050 -0.106 0.000 0.832 77 N CB 1.044 39.420 38.487 -0.185 0.000 1.645 77 N HN 0.558 nan 8.380 nan 0.000 0.586 78 I N -3.632 116.881 120.570 -0.094 0.000 3.816 78 I HA 0.495 4.665 4.170 -0.000 0.000 0.334 78 I C -0.205 175.881 176.117 -0.053 0.000 1.551 78 I CA -0.532 60.738 61.300 -0.050 0.000 1.153 78 I CB -0.181 37.796 38.000 -0.038 0.000 1.197 78 I HN 0.209 nan 8.210 nan 0.000 0.439 79 N N 1.312 119.915 118.700 -0.161 0.000 2.331 79 N HA -0.067 4.673 4.740 -0.000 0.000 0.180 79 N C 0.395 175.917 175.510 0.020 0.000 1.019 79 N CA 1.070 54.018 53.050 -0.170 0.000 0.881 79 N CB -0.009 38.235 38.487 -0.405 0.000 0.972 79 N HN 0.581 nan 8.380 nan 0.000 0.435 80 W N 0.972 122.301 121.300 0.049 0.000 2.616 80 W HA 0.371 5.031 4.660 -0.000 0.000 0.419 80 W C -0.515 176.031 176.519 0.044 0.000 0.835 80 W CA -1.267 56.119 57.345 0.069 0.000 2.483 80 W CB -0.962 28.580 29.460 0.137 0.000 1.289 80 W HN -0.129 nan 8.180 nan 0.000 0.755 81 L N 1.777 123.126 121.223 0.209 0.000 2.499 81 L HA -0.014 4.326 4.340 -0.000 0.000 0.273 81 L C 1.361 178.297 176.870 0.109 0.000 1.195 81 L CA 0.489 55.412 54.840 0.138 0.000 0.882 81 L CB 0.104 42.222 42.059 0.099 0.000 1.133 81 L HN 0.071 nan 8.230 nan 0.000 0.483 82 M N 4.617 124.258 119.600 0.068 0.000 2.612 82 M HA -0.264 4.216 4.480 -0.000 0.000 0.194 82 M C 0.747 177.052 176.300 0.009 0.000 0.530 82 M CA 0.574 55.891 55.300 0.028 0.000 0.548 82 M CB -1.495 31.128 32.600 0.038 0.000 2.013 82 M HN 0.748 nan 8.290 nan 0.000 0.711 83 L N -1.782 119.450 121.223 0.014 0.000 4.429 83 L HA -0.262 4.078 4.340 -0.000 0.000 0.422 83 L C 1.053 177.958 176.870 0.058 0.000 1.149 83 L CA 1.528 56.342 54.840 -0.042 0.000 0.972 83 L CB -2.010 39.887 42.059 -0.271 0.000 2.059 83 L HN 0.669 nan 8.230 nan 0.000 0.870 84 K N 0.442 120.916 120.400 0.123 0.000 2.414 84 K HA 0.147 4.467 4.320 -0.000 0.000 0.272 84 K C 0.956 177.690 176.600 0.224 0.000 0.993 84 K CA 0.369 56.741 56.287 0.142 0.000 0.964 84 K CB 0.466 33.038 32.500 0.121 0.000 0.925 84 K HN 0.237 nan 8.250 nan 0.000 0.487 85 N N -0.295 118.520 118.700 0.192 0.000 2.948 85 N HA -0.166 4.573 4.740 -0.000 0.000 0.239 85 N C -0.888 174.769 175.510 0.245 0.000 0.954 85 N CA 1.279 54.473 53.050 0.241 0.000 0.941 85 N CB -1.455 37.217 38.487 0.308 0.000 1.101 85 N HN 0.665 nan 8.380 nan 0.000 0.579 86 I N 1.796 122.441 120.570 0.126 0.000 2.307 86 I HA 0.128 4.298 4.170 -0.000 0.000 0.289 86 I C 0.674 176.850 176.117 0.099 0.000 1.021 86 I CA -0.411 60.904 61.300 0.025 0.000 1.224 86 I CB 0.891 38.806 38.000 -0.142 0.000 1.376 86 I HN -0.093 nan 8.210 nan 0.000 0.470 87 E N 4.059 124.297 120.200 0.063 0.000 2.392 87 E HA -0.026 4.324 4.350 -0.000 0.000 0.264 87 E C 0.776 177.338 176.600 -0.063 0.000 1.024 87 E CA -0.382 56.025 56.400 0.012 0.000 0.903 87 E CB 1.429 31.139 29.700 0.016 0.000 0.963 87 E HN 0.457 nan 8.360 nan 0.000 0.432 88 L N 3.522 124.626 121.223 -0.199 0.000 2.079 88 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 88 L C 2.137 178.784 176.870 -0.372 0.000 1.081 88 L CA 2.341 56.909 54.840 -0.453 0.000 0.752 88 L CB -0.736 41.045 42.059 -0.464 0.000 0.896 88 L HN 0.708 nan 8.230 nan 0.000 0.433 89 T N -2.917 111.521 114.554 -0.193 0.000 3.144 89 T HA 0.405 4.755 4.350 -0.000 0.000 0.249 89 T C 0.842 175.644 174.700 0.171 0.000 1.089 89 T CA 0.109 62.177 62.100 -0.052 0.000 0.989 89 T CB -0.650 68.215 68.868 -0.006 0.000 0.992 89 T HN 0.373 nan 8.240 nan 0.000 0.540 90 A N 1.268 124.149 122.820 0.102 0.000 2.511 90 A HA 0.535 4.855 4.320 -0.000 0.000 0.242 90 A C 0.138 177.817 177.584 0.158 0.000 1.069 90 A CA -0.317 51.786 52.037 0.110 0.000 0.763 90 A CB 0.155 19.194 19.000 0.064 0.000 1.001 90 A HN 0.383 nan 8.150 nan 0.000 0.498 91 V N 3.421 123.380 119.914 0.076 0.000 2.513 91 V HA 0.562 4.682 4.120 -0.000 0.000 0.299 91 V C -0.147 175.929 176.094 -0.031 0.000 1.035 91 V CA -0.374 61.923 62.300 -0.004 0.000 0.889 91 V CB 1.532 33.318 31.823 -0.062 0.000 0.988 91 V HN 0.972 nan 8.190 nan 0.000 0.440 92 M N 4.739 124.294 119.600 -0.076 0.000 2.142 92 M HA 0.730 5.210 4.480 -0.000 0.000 0.299 92 M C 0.347 176.554 176.300 -0.154 0.000 0.960 92 M CA 0.969 56.186 55.300 -0.137 0.000 0.920 92 M CB 0.803 33.253 32.600 -0.250 0.000 1.541 92 M HN 1.050 nan 8.290 nan 0.000 0.429 93 G N 3.253 111.981 108.800 -0.120 0.000 2.557 93 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.292 93 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.292 93 G C 0.313 175.157 174.900 -0.093 0.000 1.162 93 G CA 0.616 45.657 45.100 -0.098 0.000 0.964 93 G HN 1.583 nan 8.290 nan 0.000 0.541 94 S N 0.413 116.052 115.700 -0.101 0.000 2.663 94 S HA 0.618 5.088 4.470 -0.000 0.000 0.243 94 S C 0.610 175.111 174.600 -0.165 0.000 1.009 94 S CA 0.508 58.638 58.200 -0.117 0.000 0.988 94 S CB -0.359 62.788 63.200 -0.088 0.000 0.896 94 S HN 1.604 nan 8.310 nan 0.000 0.502 95 I N -2.659 117.810 120.570 -0.167 0.000 2.892 95 I HA 0.679 4.849 4.170 -0.000 0.000 0.306 95 I C -0.986 175.019 176.117 -0.187 0.000 1.078 95 I CA -1.766 59.418 61.300 -0.193 0.000 1.032 95 I CB 0.851 38.795 38.000 -0.092 0.000 1.229 95 I HN -0.147 nan 8.210 nan 0.000 0.435 96 Y N 2.060 122.349 120.300 -0.018 0.000 2.712 96 Y HA -0.035 4.515 4.550 -0.000 0.000 0.333 96 Y C 1.712 177.621 175.900 0.015 0.000 1.225 96 Y CA 0.490 58.583 58.100 -0.011 0.000 1.499 96 Y CB 0.335 38.783 38.460 -0.020 0.000 1.288 96 Y HN 0.687 nan 8.280 nan 0.000 0.575 97 Q N 1.918 121.830 119.800 0.187 0.000 2.170 97 Q HA -0.237 4.102 4.340 -0.000 0.000 0.203 97 Q C 1.239 177.287 176.000 0.080 0.000 0.976 97 Q CA 1.567 57.420 55.803 0.084 0.000 0.858 97 Q CB -0.189 28.541 28.738 -0.013 0.000 0.907 97 Q HN 0.846 nan 8.270 nan 0.000 0.433 98 Y N 0.431 120.686 120.300 -0.074 0.000 2.241 98 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 98 Y C 1.867 177.725 175.900 -0.070 0.000 1.166 98 Y CA 1.291 59.321 58.100 -0.117 0.000 1.203 98 Y CB -0.092 38.313 38.460 -0.091 0.000 0.977 98 Y HN 0.199 nan 8.280 nan 0.000 0.529 99 I N -1.529 119.134 120.570 0.155 0.000 2.286 99 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 99 I C 2.583 178.739 176.117 0.064 0.000 1.104 99 I CA 1.429 62.786 61.300 0.095 0.000 1.397 99 I CB -0.610 37.445 38.000 0.091 0.000 1.072 99 I HN 0.302 nan 8.210 nan 0.000 0.417 100 H N 1.244 120.285 119.070 -0.048 0.000 2.352 100 H HA -0.147 4.409 4.556 -0.000 0.000 0.299 100 H C 2.296 177.571 175.328 -0.089 0.000 1.097 100 H CA 1.979 57.987 56.048 -0.067 0.000 1.311 100 H CB 0.220 29.929 29.762 -0.089 0.000 1.377 100 H HN 0.114 nan 8.280 nan 0.000 0.504 101 V N 1.309 121.040 119.914 -0.306 0.000 2.287 101 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 101 V C 3.062 179.113 176.094 -0.072 0.000 1.053 101 V CA 1.764 63.759 62.300 -0.510 0.000 1.027 101 V CB -1.209 30.132 31.823 -0.803 0.000 0.646 101 V HN 0.592 nan 8.190 nan 0.000 0.447 102 A N -0.682 122.089 122.820 -0.081 0.000 1.873 102 A HA -0.216 4.104 4.320 -0.000 0.000 0.215 102 A C 2.115 179.680 177.584 -0.032 0.000 1.186 102 A CA 1.956 53.974 52.037 -0.032 0.000 0.616 102 A CB -0.708 18.295 19.000 0.006 0.000 0.823 102 A HN 0.504 nan 8.150 nan 0.000 0.442 103 F N 0.585 120.443 119.950 -0.153 0.000 2.075 103 F HA -0.199 4.328 4.527 -0.000 0.000 0.297 103 F C 2.494 178.176 175.800 -0.197 0.000 1.113 103 F CA 2.208 60.117 58.000 -0.153 0.000 1.218 103 F CB -0.197 38.684 39.000 -0.197 0.000 0.984 103 F HN 0.185 nan 8.300 nan 0.000 0.472 104 Q N 0.258 119.851 119.800 -0.344 0.000 2.167 104 Q HA -0.061 4.279 4.340 -0.000 0.000 0.202 104 Q C 2.530 178.165 176.000 -0.610 0.000 0.970 104 Q CA 1.250 56.813 55.803 -0.400 0.000 0.855 104 Q CB -1.283 27.328 28.738 -0.212 0.000 0.911 104 Q HN 0.578 nan 8.270 nan 0.000 0.438 105 G N 0.946 109.284 108.800 -0.771 0.000 2.422 105 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 105 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 105 G C 1.658 176.089 174.900 -0.781 0.000 1.146 105 G CA 1.348 45.553 45.100 -1.492 0.000 0.769 105 G HN 0.520 nan 8.290 nan 0.000 0.547 106 S N 0.223 115.669 115.700 -0.423 0.000 2.402 106 S HA -0.023 4.447 4.470 -0.000 0.000 0.229 106 S C 2.066 176.531 174.600 -0.225 0.000 1.021 106 S CA 0.935 58.986 58.200 -0.247 0.000 0.974 106 S CB -0.492 62.618 63.200 -0.151 0.000 0.800 106 S HN 0.155 nan 8.310 nan 0.000 0.484 107 F N 2.694 122.361 119.950 -0.473 0.000 2.134 107 F HA 0.171 4.698 4.527 -0.000 0.000 0.299 107 F C 2.922 178.519 175.800 -0.339 0.000 1.097 107 F CA 0.328 58.158 58.000 -0.283 0.000 1.264 107 F CB -1.203 37.694 39.000 -0.171 0.000 1.001 107 F HN 0.310 nan 8.300 nan 0.000 0.479 108 A N -0.806 121.719 122.820 -0.493 0.000 1.917 108 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 108 A C 2.372 179.653 177.584 -0.505 0.000 1.182 108 A CA 2.021 53.493 52.037 -0.942 0.000 0.633 108 A CB -1.529 16.851 19.000 -1.032 0.000 0.819 108 A HN 0.491 nan 8.150 nan 0.000 0.448 109 C N -1.439 117.645 119.300 -0.360 0.000 2.453 109 C HA -0.062 4.398 4.460 -0.000 0.000 0.277 109 C C 2.475 177.417 174.990 -0.080 0.000 1.262 109 C CA 1.004 59.922 59.018 -0.167 0.000 1.718 109 C CB -1.277 26.422 27.740 -0.068 0.000 2.031 109 C HN 0.697 nan 8.230 nan 0.000 0.480 110 I N 1.327 121.816 120.570 -0.134 0.000 2.315 110 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 110 I C 2.358 178.390 176.117 -0.141 0.000 1.117 110 I CA 1.872 63.069 61.300 -0.171 0.000 1.404 110 I CB -0.750 37.064 38.000 -0.310 0.000 1.071 110 I HN 0.284 nan 8.210 nan 0.000 0.419 111 T N -0.105 114.389 114.554 -0.101 0.000 2.684 111 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 111 T C 2.021 176.732 174.700 0.018 0.000 1.036 111 T CA 1.937 64.044 62.100 0.012 0.000 1.148 111 T CB -0.529 68.444 68.868 0.176 0.000 0.863 111 T HN 0.220 nan 8.240 nan 0.000 0.436 112 V N 1.308 121.225 119.914 0.005 0.000 2.358 112 V HA -0.043 4.077 4.120 -0.000 0.000 0.246 112 V C 2.893 178.996 176.094 0.014 0.000 1.047 112 V CA 1.812 64.121 62.300 0.016 0.000 1.035 112 V CB -1.338 30.514 31.823 0.049 0.000 0.658 112 V HN 0.600 nan 8.190 nan 0.000 0.452 113 G N -0.135 108.674 108.800 0.014 0.000 2.450 113 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 113 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 113 G C 1.575 176.533 174.900 0.098 0.000 1.130 113 G CA 0.868 45.993 45.100 0.042 0.000 0.760 113 G HN 0.470 nan 8.290 nan 0.000 0.557 114 L N 0.018 121.254 121.223 0.020 0.000 2.131 114 L HA -0.026 4.313 4.340 -0.000 0.000 0.210 114 L C 2.816 179.761 176.870 0.126 0.000 1.092 114 L CA 0.607 55.480 54.840 0.056 0.000 0.759 114 L CB -0.325 41.633 42.059 -0.168 0.000 0.903 114 L HN 0.235 nan 8.230 nan 0.000 0.435 115 I N -0.185 120.394 120.570 0.014 0.000 2.226 115 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 115 I C 2.482 178.564 176.117 -0.058 0.000 1.100 115 I CA 1.369 62.636 61.300 -0.054 0.000 1.374 115 I CB -0.375 37.538 38.000 -0.146 0.000 1.057 115 I HN 0.196 nan 8.210 nan 0.000 0.413 116 V N -0.754 119.161 119.914 0.002 0.000 2.720 116 V HA -0.048 4.072 4.120 -0.000 0.000 0.256 116 V C 2.265 178.247 176.094 -0.188 0.000 1.082 116 V CA 1.707 63.985 62.300 -0.037 0.000 1.101 116 V CB -1.755 30.101 31.823 0.056 0.000 0.693 116 V HN 0.418 nan 8.190 nan 0.000 0.479 117 G N 0.065 108.582 108.800 -0.473 0.000 2.448 117 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.219 117 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.219 117 G C 1.599 176.206 174.900 -0.488 0.000 1.127 117 G CA 0.935 45.417 45.100 -1.030 0.000 0.766 117 G HN 0.882 nan 8.290 nan 0.000 0.552 118 A N 0.167 122.809 122.820 -0.297 0.000 2.067 118 A HA 0.327 4.647 4.320 -0.000 0.000 0.217 118 A C 2.082 179.534 177.584 -0.219 0.000 1.156 118 A CA 0.505 52.417 52.037 -0.209 0.000 0.683 118 A CB -0.097 18.813 19.000 -0.151 0.000 0.808 118 A HN 0.346 nan 8.150 nan 0.000 0.455 119 L N -0.457 120.640 121.223 -0.210 0.000 2.607 119 L HA 0.277 4.617 4.340 -0.000 0.000 0.228 119 L C 1.145 177.922 176.870 -0.156 0.000 1.123 119 L CA -0.196 54.529 54.840 -0.192 0.000 0.890 119 L CB -0.408 41.555 42.059 -0.160 0.000 1.103 119 L HN 0.319 nan 8.230 nan 0.000 0.468 120 A N 0.788 123.509 122.820 -0.165 0.000 2.483 120 A HA 0.178 4.498 4.320 -0.000 0.000 0.238 120 A C 1.001 178.504 177.584 -0.134 0.000 1.070 120 A CA 0.266 52.224 52.037 -0.132 0.000 0.770 120 A CB 0.151 19.061 19.000 -0.150 0.000 1.008 120 A HN 0.585 nan 8.150 nan 0.000 0.497 121 E N -0.650 119.490 120.200 -0.100 0.000 4.153 121 E HA -0.232 4.118 4.350 -0.000 0.000 0.376 121 E C 0.876 177.414 176.600 -0.104 0.000 0.598 121 E CA 1.239 57.569 56.400 -0.116 0.000 1.343 121 E CB -0.778 28.806 29.700 -0.193 0.000 1.793 121 E HN 0.894 nan 8.360 nan 0.000 0.392 122 R N 0.774 121.216 120.500 -0.097 0.000 2.526 122 R HA 0.309 4.649 4.340 -0.000 0.000 0.346 122 R C 0.451 176.711 176.300 -0.066 0.000 0.926 122 R CA -0.154 55.897 56.100 -0.081 0.000 1.147 122 R CB -0.283 29.958 30.300 -0.098 0.000 1.629 122 R HN 0.190 nan 8.270 nan 0.000 0.516 123 I N 2.493 123.028 120.570 -0.058 0.000 2.581 123 I HA 0.223 4.393 4.170 -0.000 0.000 0.288 123 I C 0.274 176.397 176.117 0.011 0.000 1.047 123 I CA -0.691 60.586 61.300 -0.038 0.000 1.374 123 I CB 1.003 38.976 38.000 -0.045 0.000 1.423 123 I HN 0.102 nan 8.210 nan 0.000 0.549 124 R N 5.555 126.064 120.500 0.016 0.000 2.340 124 R HA 0.061 4.400 4.340 -0.000 0.000 0.300 124 R C 0.540 176.898 176.300 0.097 0.000 1.069 124 R CA -0.176 55.953 56.100 0.048 0.000 0.984 124 R CB 0.529 30.845 30.300 0.027 0.000 1.003 124 R HN 0.730 nan 8.270 nan 0.000 0.459 125 F N 3.359 123.303 119.950 -0.009 0.000 2.095 125 F HA -0.261 4.265 4.527 -0.000 0.000 0.298 125 F C 2.176 178.008 175.800 0.053 0.000 1.104 125 F CA 2.458 60.481 58.000 0.039 0.000 1.232 125 F CB -0.165 38.852 39.000 0.030 0.000 0.987 125 F HN 0.701 nan 8.300 nan 0.000 0.475 126 S N 0.416 116.125 115.700 0.016 0.000 2.399 126 S HA -0.123 4.347 4.470 -0.000 0.000 0.231 126 S C 2.242 176.799 174.600 -0.072 0.000 1.022 126 S CA 0.744 58.902 58.200 -0.069 0.000 0.983 126 S CB -1.218 62.004 63.200 0.037 0.000 0.803 126 S HN 0.464 nan 8.310 nan 0.000 0.480 127 A N 1.719 124.526 122.820 -0.021 0.000 1.930 127 A HA 0.079 4.399 4.320 -0.000 0.000 0.217 127 A C 2.392 179.999 177.584 0.040 0.000 1.175 127 A CA 1.528 53.577 52.037 0.021 0.000 0.627 127 A CB -1.098 17.924 19.000 0.037 0.000 0.815 127 A HN 0.438 nan 8.150 nan 0.000 0.443 128 V N 0.415 120.316 119.914 -0.021 0.000 2.287 128 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 128 V C 2.571 178.667 176.094 0.004 0.000 1.053 128 V CA 2.055 64.356 62.300 0.002 0.000 1.027 128 V CB -0.899 30.883 31.823 -0.069 0.000 0.646 128 V HN 0.576 nan 8.190 nan 0.000 0.447 129 L N -0.745 120.388 121.223 -0.150 0.000 2.017 129 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 129 L C 2.423 179.277 176.870 -0.028 0.000 1.073 129 L CA 1.700 56.467 54.840 -0.122 0.000 0.745 129 L CB -0.620 41.312 42.059 -0.212 0.000 0.894 129 L HN 0.246 nan 8.230 nan 0.000 0.432 130 I N -0.519 120.046 120.570 -0.009 0.000 2.127 130 I HA -0.355 3.815 4.170 -0.000 0.000 0.241 130 I C 2.560 178.693 176.117 0.027 0.000 1.075 130 I CA 1.593 62.902 61.300 0.015 0.000 1.334 130 I CB -0.393 37.622 38.000 0.024 0.000 1.040 130 I HN 0.131 nan 8.210 nan 0.000 0.405 131 F N 1.382 121.289 119.950 -0.071 0.000 2.065 131 F HA -0.269 4.258 4.527 -0.000 0.000 0.298 131 F C 2.377 178.156 175.800 -0.036 0.000 1.112 131 F CA 1.879 59.802 58.000 -0.127 0.000 1.212 131 F CB -0.615 38.233 39.000 -0.254 0.000 0.975 131 F HN -0.208 nan 8.300 nan 0.000 0.476 132 V N -0.105 119.760 119.914 -0.081 0.000 2.332 132 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 132 V C 2.435 178.484 176.094 -0.074 0.000 1.055 132 V CA 1.707 63.955 62.300 -0.087 0.000 1.038 132 V CB -0.782 31.074 31.823 0.055 0.000 0.651 132 V HN 0.343 nan 8.190 nan 0.000 0.450 133 V N -0.413 119.474 119.914 -0.046 0.000 2.343 133 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 133 V C 2.381 178.464 176.094 -0.018 0.000 1.051 133 V CA 1.967 64.269 62.300 0.004 0.000 1.036 133 V CB -0.440 31.395 31.823 0.020 0.000 0.654 133 V HN 0.413 nan 8.190 nan 0.000 0.451 134 V N -1.425 118.430 119.914 -0.098 0.000 2.307 134 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 134 V C 1.968 177.989 176.094 -0.121 0.000 1.045 134 V CA 2.405 64.640 62.300 -0.108 0.000 1.024 134 V CB -0.658 31.088 31.823 -0.129 0.000 0.651 134 V HN 0.775 nan 8.190 nan 0.000 0.449 135 W N 0.159 121.175 121.300 -0.473 0.000 2.418 135 W HA -0.089 4.571 4.660 -0.000 0.000 0.292 135 W C 2.155 178.605 176.519 -0.114 0.000 1.213 135 W CA 1.423 58.521 57.345 -0.412 0.000 1.283 135 W CB -0.159 28.728 29.460 -0.955 0.000 1.119 135 W HN 0.198 nan 8.180 nan 0.000 0.542 136 L N 0.478 121.756 121.223 0.092 0.000 2.017 136 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 136 L C 2.290 179.188 176.870 0.046 0.000 1.073 136 L CA 2.788 57.683 54.840 0.091 0.000 0.745 136 L CB -1.225 40.922 42.059 0.147 0.000 0.894 136 L HN -0.102 nan 8.230 nan 0.000 0.432 137 T N -0.400 114.196 114.554 0.070 0.000 2.777 137 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 137 T C 1.753 176.462 174.700 0.015 0.000 1.040 137 T CA 1.854 64.026 62.100 0.121 0.000 1.141 137 T CB -0.160 68.774 68.868 0.111 0.000 0.868 137 T HN 0.292 nan 8.240 nan 0.000 0.444 138 L N -0.334 120.858 121.223 -0.052 0.000 2.638 138 L HA 0.301 4.641 4.340 -0.000 0.000 0.232 138 L C 2.339 179.254 176.870 0.076 0.000 1.099 138 L CA 0.252 55.091 54.840 -0.003 0.000 0.883 138 L CB 0.123 42.158 42.059 -0.039 0.000 1.136 138 L HN 0.193 nan 8.230 nan 0.000 0.492 139 S N -1.222 114.329 115.700 -0.248 0.000 2.811 139 S HA -0.030 4.440 4.470 -0.000 0.000 0.237 139 S C 1.772 176.041 174.600 -0.552 0.000 1.038 139 S CA -0.036 57.934 58.200 -0.384 0.000 0.881 139 S CB -0.137 62.463 63.200 -1.000 0.000 0.815 139 S HN 0.334 nan 8.310 nan 0.000 0.582 140 Y N 2.220 122.019 120.300 -0.835 0.000 2.145 140 Y HA 0.025 4.575 4.550 -0.000 0.000 0.286 140 Y C 1.947 177.722 175.900 -0.210 0.000 1.145 140 Y CA 1.884 59.690 58.100 -0.490 0.000 1.148 140 Y CB -0.344 37.940 38.460 -0.294 0.000 0.981 140 Y HN 0.287 nan 8.280 nan 0.000 0.507 141 I N 0.188 120.756 120.570 -0.003 0.000 2.142 141 I HA -0.242 3.928 4.170 -0.000 0.000 0.240 141 I C -0.717 175.330 176.117 -0.117 0.000 1.078 141 I CA 1.339 62.670 61.300 0.052 0.000 1.343 141 I CB -1.348 36.741 38.000 0.148 0.000 1.046 141 I HN 0.213 nan 8.210 nan 0.000 0.405 142 P HA -0.125 nan 4.420 nan 0.000 0.217 142 P C 1.825 178.843 177.300 -0.470 0.000 1.150 142 P CA 1.538 64.522 63.100 -0.194 0.000 0.832 142 P CB -0.017 31.624 31.700 -0.098 0.000 0.787 143 I N -0.648 119.534 120.570 -0.648 0.000 2.252 143 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 143 I C 2.343 178.084 176.117 -0.627 0.000 1.102 143 I CA 1.374 62.276 61.300 -0.663 0.000 1.385 143 I CB -0.835 36.801 38.000 -0.607 0.000 1.064 143 I HN -0.088 nan 8.210 nan 0.000 0.414 144 A N 0.281 122.693 122.820 -0.679 0.000 1.883 144 A HA -0.318 4.002 4.320 -0.000 0.000 0.217 144 A C 2.198 179.489 177.584 -0.487 0.000 1.186 144 A CA 2.215 53.874 52.037 -0.629 0.000 0.624 144 A CB -1.021 17.684 19.000 -0.491 0.000 0.822 144 A HN 0.504 nan 8.150 nan 0.000 0.444 145 H N -0.664 118.119 119.070 -0.478 0.000 2.319 145 H HA -0.058 4.498 4.556 -0.000 0.000 0.299 145 H C 2.017 177.126 175.328 -0.367 0.000 1.092 145 H CA 2.280 58.081 56.048 -0.411 0.000 1.302 145 H CB -0.253 29.335 29.762 -0.289 0.000 1.373 145 H HN 0.414 nan 8.280 nan 0.000 0.497 146 M N -0.892 118.465 119.600 -0.405 0.000 2.149 146 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 146 M C 2.001 178.058 176.300 -0.405 0.000 1.064 146 M CA 1.440 56.478 55.300 -0.437 0.000 1.102 146 M CB 0.138 32.483 32.600 -0.425 0.000 1.369 146 M HN 0.220 nan 8.290 nan 0.000 0.408 147 V N -2.626 117.031 119.914 -0.428 0.000 2.672 147 V HA -0.104 4.016 4.120 -0.000 0.000 0.242 147 V C 1.309 177.330 176.094 -0.121 0.000 1.059 147 V CA 1.072 63.149 62.300 -0.373 0.000 1.081 147 V CB -0.100 31.342 31.823 -0.635 0.000 0.752 147 V HN 0.549 nan 8.190 nan 0.000 0.472 148 W N -0.108 121.057 121.300 -0.225 0.000 2.868 148 W HA 0.489 5.149 4.660 -0.000 0.000 0.320 148 W C 1.717 178.130 176.519 -0.177 0.000 1.076 148 W CA 0.185 57.458 57.345 -0.120 0.000 1.576 148 W CB -0.180 29.282 29.460 0.004 0.000 1.030 148 W HN 0.281 nan 8.180 nan 0.000 0.558 149 G N -0.402 108.237 108.800 -0.268 0.000 3.605 149 G HA2 0.388 4.348 3.960 -0.000 0.000 0.277 149 G HA3 0.388 4.348 3.960 -0.000 0.000 0.277 149 G C 1.145 175.738 174.900 -0.512 0.000 1.093 149 G CA 0.215 45.071 45.100 -0.406 0.000 0.821 149 G HN 0.278 nan 8.290 nan 0.000 0.532 150 G N -0.979 107.611 108.800 -0.349 0.000 2.136 150 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.242 150 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.242 150 G C 0.821 175.492 174.900 -0.381 0.000 0.989 150 G CA 0.263 45.198 45.100 -0.275 0.000 0.682 150 G HN 0.969 nan 8.290 nan 0.000 0.522 151 G N -0.909 107.554 108.800 -0.563 0.000 2.582 151 G HA2 0.555 4.515 3.960 -0.000 0.000 0.232 151 G HA3 0.555 4.515 3.960 -0.000 0.000 0.232 151 G C 1.337 175.984 174.900 -0.423 0.000 1.458 151 G CA 0.222 45.018 45.100 -0.507 0.000 1.062 151 G HN 0.868 nan 8.290 nan 0.000 0.566 152 L N -0.909 120.003 121.223 -0.519 0.000 1.990 152 L HA -0.080 4.260 4.340 -0.000 0.000 0.213 152 L C 2.628 179.129 176.870 -0.615 0.000 1.072 152 L CA 1.838 56.338 54.840 -0.566 0.000 0.755 152 L CB -0.627 41.078 42.059 -0.590 0.000 0.889 152 L HN 0.307 nan 8.230 nan 0.000 0.432 153 L N -0.452 120.504 121.223 -0.446 0.000 2.072 153 L HA 0.029 4.368 4.340 -0.000 0.000 0.205 153 L C 2.707 179.465 176.870 -0.185 0.000 1.079 153 L CA 1.768 56.411 54.840 -0.329 0.000 0.752 153 L CB -1.838 40.086 42.059 -0.225 0.000 0.906 153 L HN 0.317 nan 8.230 nan 0.000 0.436 154 A N -0.186 122.533 122.820 -0.169 0.000 1.917 154 A HA -0.276 4.043 4.320 -0.000 0.000 0.219 154 A C 2.546 180.108 177.584 -0.036 0.000 1.182 154 A CA 2.359 54.355 52.037 -0.069 0.000 0.633 154 A CB -1.039 17.912 19.000 -0.081 0.000 0.819 154 A HN 0.539 nan 8.150 nan 0.000 0.448 155 S N -0.708 114.939 115.700 -0.088 0.000 2.419 155 S HA -0.204 4.266 4.470 -0.000 0.000 0.233 155 S C 1.467 176.173 174.600 0.177 0.000 1.016 155 S CA 1.375 59.580 58.200 0.009 0.000 0.974 155 S CB -0.950 62.233 63.200 -0.028 0.000 0.786 155 S HN 0.794 nan 8.310 nan 0.000 0.492 156 H N 0.675 119.731 119.070 -0.023 0.000 2.539 156 H HA 0.332 4.888 4.556 -0.000 0.000 0.267 156 H C 1.503 176.847 175.328 0.028 0.000 0.982 156 H CA -0.173 55.879 56.048 0.007 0.000 1.146 156 H CB -0.010 29.744 29.762 -0.012 0.000 1.382 156 H HN 0.618 nan 8.280 nan 0.000 0.577 157 G N 1.346 110.229 108.800 0.139 0.000 2.182 157 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.248 157 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.248 157 G C 0.386 175.334 174.900 0.080 0.000 1.042 157 G CA 0.072 45.234 45.100 0.104 0.000 0.775 157 G HN 0.613 nan 8.290 nan 0.000 0.501 158 A N -0.477 122.384 122.820 0.068 0.000 2.531 158 A HA 0.550 4.870 4.320 -0.000 0.000 0.236 158 A C 0.695 178.328 177.584 0.082 0.000 1.062 158 A CA 0.420 52.493 52.037 0.060 0.000 0.760 158 A CB 0.287 19.309 19.000 0.036 0.000 0.995 158 A HN 1.028 nan 8.150 nan 0.000 0.501 159 L N 2.473 123.741 121.223 0.076 0.000 2.280 159 L HA 0.460 4.800 4.340 -0.000 0.000 0.287 159 L C -0.501 176.547 176.870 0.296 0.000 1.023 159 L CA -0.279 54.603 54.840 0.070 0.000 0.819 159 L CB 1.299 43.259 42.059 -0.165 0.000 1.212 159 L HN 0.742 nan 8.230 nan 0.000 0.420 160 D N 2.181 122.889 120.400 0.513 0.000 2.351 160 D HA 0.071 4.711 4.640 -0.000 0.000 0.235 160 D C 0.081 176.845 176.300 0.772 0.000 1.331 160 D CA -0.438 53.908 54.000 0.576 0.000 0.959 160 D CB 0.781 41.808 40.800 0.378 0.000 1.432 160 D HN 0.269 nan 8.370 nan 0.000 0.544 161 F N 3.153 123.447 119.950 0.574 0.000 2.084 161 F HA 0.110 4.637 4.527 -0.000 0.000 0.296 161 F C 1.733 177.693 175.800 0.266 0.000 1.111 161 F CA 1.973 60.145 58.000 0.287 0.000 1.224 161 F CB 0.420 39.391 39.000 -0.048 0.000 0.991 161 F HN 0.429 nan 8.300 nan 0.000 0.471 162 A N -1.569 121.566 122.820 0.525 0.000 2.551 162 A HA 0.564 4.883 4.320 -0.000 0.000 0.252 162 A C 0.906 178.964 177.584 0.790 0.000 1.199 162 A CA 0.438 52.734 52.037 0.431 0.000 0.972 162 A CB -0.192 19.092 19.000 0.474 0.000 1.153 162 A HN 0.863 nan 8.150 nan 0.000 0.559 163 G N -0.915 108.400 108.800 0.859 0.000 2.462 163 G HA2 0.107 4.067 3.960 -0.000 0.000 0.124 163 G HA3 0.107 4.067 3.960 -0.000 0.000 0.124 163 G C 0.930 176.112 174.900 0.471 0.000 1.062 163 G CA 0.204 45.680 45.100 0.626 0.000 0.764 163 G HN 1.062 nan 8.290 nan 0.000 0.485 164 G N 0.194 109.292 108.800 0.496 0.000 2.442 164 G HA2 0.027 3.987 3.960 -0.000 0.000 0.219 164 G HA3 0.027 3.987 3.960 -0.000 0.000 0.219 164 G C 1.848 176.936 174.900 0.312 0.000 1.141 164 G CA 2.592 47.973 45.100 0.468 0.000 0.763 164 G HN 1.425 nan 8.290 nan 0.000 0.554 165 T N -1.235 113.423 114.554 0.173 0.000 2.837 165 T HA 0.007 4.357 4.350 -0.000 0.000 0.248 165 T C 2.319 177.015 174.700 -0.007 0.000 1.033 165 T CA 1.181 63.324 62.100 0.073 0.000 1.150 165 T CB -0.595 68.262 68.868 -0.019 0.000 0.865 165 T HN -0.023 nan 8.240 nan 0.000 0.425 166 V N 1.611 121.404 119.914 -0.202 0.000 2.332 166 V HA -0.111 4.009 4.120 -0.000 0.000 0.248 166 V C 2.747 178.832 176.094 -0.015 0.000 1.055 166 V CA 1.553 63.636 62.300 -0.362 0.000 1.038 166 V CB -0.714 30.541 31.823 -0.946 0.000 0.651 166 V HN 0.415 nan 8.190 nan 0.000 0.450 167 V N -1.444 118.527 119.914 0.095 0.000 2.502 167 V HA -0.009 4.111 4.120 -0.000 0.000 0.234 167 V C 2.303 178.440 176.094 0.071 0.000 1.072 167 V CA 1.122 63.492 62.300 0.116 0.000 1.094 167 V CB -0.685 31.145 31.823 0.012 0.000 0.761 167 V HN 0.465 nan 8.190 nan 0.000 0.489 168 H N -0.125 119.137 119.070 0.321 0.000 2.317 168 H HA 0.106 4.662 4.556 -0.000 0.000 0.304 168 H C 2.331 177.829 175.328 0.284 0.000 1.067 168 H CA 1.794 58.036 56.048 0.324 0.000 1.352 168 H CB -0.066 29.919 29.762 0.371 0.000 1.398 168 H HN 0.295 nan 8.280 nan 0.000 0.510 169 I N 1.023 121.813 120.570 0.367 0.000 2.252 169 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 169 I C 2.509 178.831 176.117 0.343 0.000 1.102 169 I CA 0.881 62.368 61.300 0.312 0.000 1.385 169 I CB -0.240 37.916 38.000 0.259 0.000 1.064 169 I HN 0.150 nan 8.210 nan 0.000 0.414 170 N N 1.484 120.385 118.700 0.334 0.000 2.036 170 N HA -0.218 4.522 4.740 -0.000 0.000 0.195 170 N C 1.830 177.677 175.510 0.560 0.000 1.037 170 N CA 2.257 55.581 53.050 0.457 0.000 0.855 170 N CB -0.248 38.479 38.487 0.401 0.000 1.033 170 N HN 0.363 nan 8.380 nan 0.000 0.423 171 A N 0.242 123.304 122.820 0.403 0.000 1.902 171 A HA 0.078 4.398 4.320 -0.000 0.000 0.217 171 A C 2.379 180.071 177.584 0.181 0.000 1.181 171 A CA 2.137 54.282 52.037 0.179 0.000 0.623 171 A CB -1.158 17.896 19.000 0.091 0.000 0.818 171 A HN 0.442 nan 8.150 nan 0.000 0.443 172 A N -0.195 122.794 122.820 0.283 0.000 1.933 172 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 172 A C 2.015 179.871 177.584 0.454 0.000 1.175 172 A CA 1.647 53.899 52.037 0.358 0.000 0.628 172 A CB -0.441 18.766 19.000 0.345 0.000 0.814 172 A HN 0.414 nan 8.150 nan 0.000 0.444 173 I N -0.273 120.560 120.570 0.439 0.000 2.286 173 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 173 I C 2.943 179.252 176.117 0.320 0.000 1.104 173 I CA 1.292 62.830 61.300 0.397 0.000 1.397 173 I CB -1.565 36.680 38.000 0.409 0.000 1.072 173 I HN 0.359 nan 8.210 nan 0.000 0.417 174 A N 1.045 124.047 122.820 0.304 0.000 1.908 174 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 174 A C 2.486 180.156 177.584 0.143 0.000 1.181 174 A CA 1.987 54.148 52.037 0.207 0.000 0.627 174 A CB -1.317 17.536 19.000 -0.246 0.000 0.818 174 A HN 0.428 nan 8.150 nan 0.000 0.445 175 G N -0.393 108.447 108.800 0.067 0.000 2.402 175 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.216 175 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.216 175 G C 1.496 176.372 174.900 -0.039 0.000 1.162 175 G CA 1.157 46.255 45.100 -0.003 0.000 0.777 175 G HN 0.492 nan 8.290 nan 0.000 0.539 176 L N 0.814 122.052 121.223 0.024 0.000 2.017 176 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 176 L C 2.905 179.725 176.870 -0.083 0.000 1.073 176 L CA 1.414 56.181 54.840 -0.121 0.000 0.745 176 L CB -0.523 41.422 42.059 -0.190 0.000 0.894 176 L HN 0.073 nan 8.230 nan 0.000 0.432 177 V N 0.191 120.169 119.914 0.107 0.000 2.343 177 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 177 V C 2.623 178.666 176.094 -0.086 0.000 1.051 177 V CA 1.771 64.189 62.300 0.197 0.000 1.036 177 V CB -1.633 30.393 31.823 0.340 0.000 0.654 177 V HN 0.649 nan 8.190 nan 0.000 0.451 178 G N -0.335 108.248 108.800 -0.363 0.000 2.446 178 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 178 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 178 G C 1.768 176.309 174.900 -0.598 0.000 1.168 178 G CA 1.117 45.571 45.100 -1.077 0.000 0.771 178 G HN 0.618 nan 8.290 nan 0.000 0.551 179 A N -0.187 122.402 122.820 -0.386 0.000 1.930 179 A HA 0.057 4.377 4.320 -0.000 0.000 0.217 179 A C 2.241 179.648 177.584 -0.294 0.000 1.175 179 A CA 1.504 53.332 52.037 -0.349 0.000 0.627 179 A CB -0.573 18.210 19.000 -0.362 0.000 0.815 179 A HN 0.367 nan 8.150 nan 0.000 0.443 180 Y N 0.039 120.210 120.300 -0.215 0.000 2.145 180 Y HA -0.133 4.417 4.550 -0.000 0.000 0.286 180 Y C 2.267 178.068 175.900 -0.166 0.000 1.145 180 Y CA 1.383 59.384 58.100 -0.165 0.000 1.148 180 Y CB -0.644 37.749 38.460 -0.111 0.000 0.981 180 Y HN 0.177 nan 8.280 nan 0.000 0.507 181 L N -0.089 121.117 121.223 -0.029 0.000 2.046 181 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 181 L C 2.293 179.073 176.870 -0.149 0.000 1.077 181 L CA 1.729 56.508 54.840 -0.101 0.000 0.747 181 L CB -0.680 41.258 42.059 -0.201 0.000 0.896 181 L HN 0.328 nan 8.230 nan 0.000 0.432 182 I N -2.837 117.597 120.570 -0.226 0.000 2.876 182 I HA 0.270 4.439 4.170 -0.000 0.000 0.264 182 I C 1.104 177.133 176.117 -0.147 0.000 1.204 182 I CA 0.547 61.734 61.300 -0.188 0.000 1.485 182 I CB -0.662 37.203 38.000 -0.224 0.000 1.103 182 I HN 0.238 nan 8.210 nan 0.000 0.446 183 G N 1.926 110.634 108.800 -0.153 0.000 2.796 183 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.571 183 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.571 183 G C -0.728 174.045 174.900 -0.211 0.000 1.370 183 G CA -0.474 44.536 45.100 -0.150 0.000 0.856 183 G HN 0.480 nan 8.290 nan 0.000 0.538 184 K N 0.511 120.761 120.400 -0.250 0.000 2.237 184 K HA 0.365 4.685 4.320 -0.000 0.000 0.270 184 K C 1.140 177.644 176.600 -0.159 0.000 1.015 184 K CA -0.322 55.740 56.287 -0.374 0.000 0.949 184 K CB 0.633 32.792 32.500 -0.568 0.000 0.976 184 K HN 0.561 nan 8.250 nan 0.000 0.472 185 R N 0.875 121.313 120.500 -0.103 0.000 2.698 185 R HA -0.011 4.329 4.340 -0.000 0.000 0.266 185 R C 0.164 176.552 176.300 0.146 0.000 1.026 185 R CA -0.413 55.682 56.100 -0.010 0.000 1.102 185 R CB 0.033 30.261 30.300 -0.120 0.000 0.978 185 R HN 0.458 nan 8.270 nan 0.000 0.436 186 V N 0.493 120.472 119.914 0.107 0.000 2.673 186 V HA 0.293 4.413 4.120 -0.000 0.000 0.303 186 V C 1.279 177.544 176.094 0.286 0.000 1.046 186 V CA 0.492 62.883 62.300 0.152 0.000 1.126 186 V CB 0.522 32.397 31.823 0.087 0.000 0.934 186 V HN 1.029 nan 8.190 nan 0.000 0.487 187 G N 2.851 111.794 108.800 0.238 0.000 2.176 187 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.253 187 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.253 187 G C 0.290 175.294 174.900 0.175 0.000 0.979 187 G CA 0.717 45.934 45.100 0.195 0.000 0.641 187 G HN 1.432 nan 8.290 nan 0.000 0.530 188 F N 1.863 121.924 119.950 0.186 0.000 2.043 188 F HA -0.042 4.485 4.527 -0.000 0.000 0.297 188 F C 2.312 178.120 175.800 0.014 0.000 1.118 188 F CA 3.269 61.396 58.000 0.210 0.000 1.202 188 F CB -0.653 38.440 39.000 0.155 0.000 0.965 188 F HN 0.178 nan 8.300 nan 0.000 0.482 189 G N -0.931 107.752 108.800 -0.195 0.000 2.683 189 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.213 189 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.213 189 G C 1.338 176.084 174.900 -0.258 0.000 1.142 189 G CA 0.632 45.531 45.100 -0.334 0.000 0.793 189 G HN 0.537 nan 8.290 nan 0.000 0.534 190 K N -0.197 120.081 120.400 -0.204 0.000 2.367 190 K HA 0.329 4.649 4.320 -0.000 0.000 0.198 190 K C 0.587 177.049 176.600 -0.230 0.000 1.132 190 K CA -0.084 56.102 56.287 -0.169 0.000 0.941 190 K CB 0.466 32.913 32.500 -0.089 0.000 1.052 190 K HN 0.181 nan 8.250 nan 0.000 0.507 191 E N 1.195 121.196 120.200 -0.330 0.000 2.283 191 E HA 0.446 4.796 4.350 -0.000 0.000 0.267 191 E C -0.983 175.189 176.600 -0.714 0.000 1.045 191 E CA -0.854 55.291 56.400 -0.425 0.000 0.884 191 E CB 1.503 31.008 29.700 -0.325 0.000 1.106 191 E HN 0.310 nan 8.360 nan 0.000 0.408 192 A N 2.277 124.802 122.820 -0.491 0.000 2.302 192 A HA 0.378 4.698 4.320 -0.000 0.000 0.295 192 A C -1.091 176.299 177.584 -0.324 0.000 1.235 192 A CA -0.333 51.475 52.037 -0.382 0.000 0.876 192 A CB -0.232 18.671 19.000 -0.162 0.000 1.133 192 A HN 0.386 nan 8.150 nan 0.000 0.533 193 F N 2.617 122.555 119.950 -0.020 0.000 2.310 193 F HA 0.345 4.872 4.527 -0.000 0.000 0.365 193 F C 0.587 176.388 175.800 0.002 0.000 1.080 193 F CA -0.800 57.201 58.000 0.002 0.000 1.187 193 F CB 0.863 39.874 39.000 0.018 0.000 1.465 193 F HN 0.464 nan 8.300 nan 0.000 0.496 194 K N 3.370 123.865 120.400 0.157 0.000 2.118 194 K HA 0.416 4.736 4.320 -0.000 0.000 0.264 194 K C -2.387 174.274 176.600 0.103 0.000 1.000 194 K CA -1.762 54.580 56.287 0.092 0.000 0.929 194 K CB 0.682 33.212 32.500 0.050 0.000 1.021 194 K HN 0.157 nan 8.250 nan 0.000 0.463 195 P HA -0.061 nan 4.420 nan 0.000 0.267 195 P C 0.012 177.348 177.300 0.060 0.000 1.205 195 P CA 0.219 63.347 63.100 0.047 0.000 0.765 195 P CB 0.407 32.093 31.700 -0.023 0.000 0.828 196 H N 2.332 121.412 119.070 0.017 0.000 2.462 196 H HA 0.023 4.579 4.556 -0.000 0.000 0.292 196 H C -0.339 174.987 175.328 -0.002 0.000 1.049 196 H CA 0.761 56.822 56.048 0.020 0.000 1.334 196 H CB 0.329 30.124 29.762 0.055 0.000 1.404 196 H HN 0.295 nan 8.280 nan 0.000 0.544 197 N N 0.484 118.849 118.700 -0.558 0.000 2.664 197 N HA 0.107 4.847 4.740 -0.000 0.000 0.268 197 N C 0.381 175.739 175.510 -0.254 0.000 1.222 197 N CA -0.282 52.485 53.050 -0.471 0.000 0.805 197 N CB 0.889 38.950 38.487 -0.710 0.000 1.399 197 N HN 0.182 nan 8.380 nan 0.000 0.547 198 L N 2.659 123.790 121.223 -0.153 0.000 2.109 198 L HA 0.084 4.424 4.340 -0.000 0.000 0.207 198 L C -0.758 176.090 176.870 -0.038 0.000 1.086 198 L CA 0.984 55.767 54.840 -0.096 0.000 0.760 198 L CB -0.756 41.254 42.059 -0.081 0.000 0.910 198 L HN 0.379 nan 8.230 nan 0.000 0.437 199 P HA -0.224 nan 4.420 nan 0.000 0.218 199 P C 1.786 179.137 177.300 0.085 0.000 1.148 199 P CA 1.488 64.609 63.100 0.036 0.000 0.822 199 P CB 0.003 31.694 31.700 -0.015 0.000 0.784 200 M N -0.735 118.863 119.600 -0.005 0.000 2.117 200 M HA -0.141 4.338 4.480 -0.000 0.000 0.262 200 M C 1.641 177.942 176.300 0.002 0.000 1.065 200 M CA 1.869 57.167 55.300 -0.003 0.000 1.114 200 M CB -0.490 32.082 32.600 -0.048 0.000 1.361 200 M HN -0.223 nan 8.290 nan 0.000 0.408 201 V N 0.576 120.469 119.914 -0.035 0.000 2.295 201 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 201 V C 2.189 178.325 176.094 0.070 0.000 1.049 201 V CA 2.209 64.470 62.300 -0.065 0.000 1.024 201 V CB -1.106 30.608 31.823 -0.183 0.000 0.648 201 V HN 0.607 nan 8.190 nan 0.000 0.447 202 F N 1.591 121.519 119.950 -0.036 0.000 2.126 202 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 202 F C 2.404 178.208 175.800 0.008 0.000 1.096 202 F CA 2.330 60.322 58.000 -0.013 0.000 1.255 202 F CB -0.697 38.278 39.000 -0.042 0.000 0.997 202 F HN 0.134 nan 8.300 nan 0.000 0.479 203 T N 0.006 114.512 114.554 -0.080 0.000 2.720 203 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 203 T C 2.174 176.757 174.700 -0.194 0.000 1.037 203 T CA 1.478 63.478 62.100 -0.166 0.000 1.144 203 T CB -1.279 67.590 68.868 0.001 0.000 0.864 203 T HN 0.480 nan 8.240 nan 0.000 0.444 204 G N 1.103 109.854 108.800 -0.082 0.000 2.422 204 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 204 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 204 G C 1.714 176.558 174.900 -0.094 0.000 1.146 204 G CA 1.432 46.500 45.100 -0.054 0.000 0.769 204 G HN 0.459 nan 8.290 nan 0.000 0.547 205 T N 1.648 116.182 114.554 -0.034 0.000 2.746 205 T HA 0.001 4.351 4.350 -0.000 0.000 0.267 205 T C 2.820 177.389 174.700 -0.218 0.000 1.039 205 T CA 1.550 63.577 62.100 -0.122 0.000 1.142 205 T CB -0.368 68.462 68.868 -0.065 0.000 0.866 205 T HN 0.374 nan 8.240 nan 0.000 0.444 206 A N 1.075 123.679 122.820 -0.361 0.000 1.902 206 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 206 A C 2.299 179.816 177.584 -0.112 0.000 1.181 206 A CA 1.178 53.044 52.037 -0.284 0.000 0.623 206 A CB -0.743 17.964 19.000 -0.489 0.000 0.818 206 A HN 0.522 nan 8.150 nan 0.000 0.443 207 I N -0.490 119.939 120.570 -0.235 0.000 2.252 207 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 207 I C 2.367 178.290 176.117 -0.323 0.000 1.102 207 I CA 0.929 61.991 61.300 -0.395 0.000 1.385 207 I CB -0.352 37.222 38.000 -0.710 0.000 1.064 207 I HN 0.282 nan 8.210 nan 0.000 0.414 208 L N -0.311 120.770 121.223 -0.238 0.000 2.012 208 L HA -0.287 4.053 4.340 -0.000 0.000 0.210 208 L C 2.723 179.644 176.870 0.085 0.000 1.073 208 L CA 1.703 56.467 54.840 -0.126 0.000 0.748 208 L CB -0.802 41.172 42.059 -0.142 0.000 0.891 208 L HN 0.260 nan 8.230 nan 0.000 0.431 209 Y N 0.463 120.720 120.300 -0.072 0.000 2.114 209 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 209 Y C 2.446 178.373 175.900 0.045 0.000 1.143 209 Y CA 1.534 59.589 58.100 -0.075 0.000 1.135 209 Y CB -0.074 38.319 38.460 -0.111 0.000 0.980 209 Y HN -0.026 nan 8.280 nan 0.000 0.499 210 I N 0.355 120.957 120.570 0.053 0.000 2.252 210 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 210 I C 2.673 178.915 176.117 0.209 0.000 1.102 210 I CA 1.611 63.002 61.300 0.152 0.000 1.385 210 I CB -2.050 36.097 38.000 0.245 0.000 1.064 210 I HN 0.421 nan 8.210 nan 0.000 0.414 211 G N -0.485 108.396 108.800 0.135 0.000 2.448 211 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.219 211 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.219 211 G C 1.550 176.487 174.900 0.062 0.000 1.127 211 G CA -0.051 45.127 45.100 0.130 0.000 0.766 211 G HN 0.366 nan 8.290 nan 0.000 0.552 212 W N 0.665 121.822 121.300 -0.239 0.000 2.421 212 W HA 0.009 4.668 4.660 -0.000 0.000 0.270 212 W C 1.748 178.074 176.519 -0.323 0.000 1.233 212 W CA 0.408 57.550 57.345 -0.338 0.000 1.226 212 W CB -0.355 28.793 29.460 -0.520 0.000 1.121 212 W HN 0.269 nan 8.180 nan 0.000 0.579 213 F N 0.178 120.151 119.950 0.039 0.000 2.186 213 F HA -0.075 4.452 4.527 -0.000 0.000 0.299 213 F C 2.681 178.559 175.800 0.130 0.000 1.090 213 F CA 1.726 59.680 58.000 -0.077 0.000 1.307 213 F CB -1.337 37.451 39.000 -0.352 0.000 1.019 213 F HN -0.183 nan 8.300 nan 0.000 0.489 214 G N -0.721 108.254 108.800 0.292 0.000 2.418 214 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.217 214 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.217 214 G C 1.667 176.789 174.900 0.370 0.000 1.158 214 G CA 0.698 45.948 45.100 0.249 0.000 0.771 214 G HN 0.353 nan 8.290 nan 0.000 0.545 215 F N 1.681 121.687 119.950 0.094 0.000 2.084 215 F HA -0.045 4.482 4.527 -0.000 0.000 0.296 215 F C 2.527 178.521 175.800 0.323 0.000 1.111 215 F CA 1.813 59.816 58.000 0.006 0.000 1.224 215 F CB 0.021 38.720 39.000 -0.502 0.000 0.991 215 F HN 0.049 nan 8.300 nan 0.000 0.471 216 N N 0.413 119.455 118.700 0.570 0.000 2.148 216 N HA -0.023 4.716 4.740 -0.000 0.000 0.186 216 N C 1.871 177.683 175.510 0.503 0.000 1.031 216 N CA 1.550 54.929 53.050 0.549 0.000 0.848 216 N CB -0.918 37.857 38.487 0.480 0.000 1.005 216 N HN 0.356 nan 8.380 nan 0.000 0.427 217 A N 0.316 123.412 122.820 0.459 0.000 1.929 217 A HA 0.097 4.417 4.320 -0.000 0.000 0.216 217 A C 2.229 180.090 177.584 0.463 0.000 1.176 217 A CA 1.652 54.006 52.037 0.529 0.000 0.628 217 A CB -1.098 18.325 19.000 0.706 0.000 0.816 217 A HN 0.343 nan 8.150 nan 0.000 0.444 218 G N -0.879 108.074 108.800 0.255 0.000 2.498 218 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.219 218 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.219 218 G C 1.509 176.312 174.900 -0.162 0.000 1.119 218 G CA 1.096 46.131 45.100 -0.107 0.000 0.766 218 G HN 0.458 nan 8.290 nan 0.000 0.552 219 S N 0.466 116.214 115.700 0.080 0.000 2.555 219 S HA 0.161 4.631 4.470 -0.000 0.000 0.230 219 S C 2.514 176.842 174.600 -0.453 0.000 0.978 219 S CA 0.630 58.668 58.200 -0.269 0.000 0.934 219 S CB -0.018 62.909 63.200 -0.454 0.000 0.766 219 S HN 0.569 nan 8.310 nan 0.000 0.533 220 A N 0.748 123.559 122.820 -0.014 0.000 2.014 220 A HA 0.379 4.699 4.320 -0.000 0.000 0.218 220 A C 1.937 179.513 177.584 -0.014 0.000 1.163 220 A CA 1.138 53.251 52.037 0.125 0.000 0.652 220 A CB -0.845 18.334 19.000 0.297 0.000 0.808 220 A HN 0.868 nan 8.150 nan 0.000 0.449 221 G N -2.260 106.487 108.800 -0.088 0.000 2.179 221 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.260 221 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.260 221 G C 0.430 175.315 174.900 -0.024 0.000 0.977 221 G CA 1.256 46.275 45.100 -0.135 0.000 0.641 221 G HN 1.738 nan 8.290 nan 0.000 0.533 222 T N -2.098 112.508 114.554 0.085 0.000 2.830 222 T HA 0.677 5.026 4.350 -0.000 0.000 0.322 222 T C -0.238 174.446 174.700 -0.027 0.000 1.501 222 T CA 0.611 62.746 62.100 0.058 0.000 1.036 222 T CB 1.048 69.909 68.868 -0.012 0.000 1.379 222 T HN 1.724 nan 8.240 nan 0.000 0.493 223 A N 3.946 126.616 122.820 -0.249 0.000 3.091 223 A HA 0.479 4.799 4.320 -0.000 0.000 0.264 223 A C 0.621 178.015 177.584 -0.317 0.000 1.673 223 A CA -0.448 51.203 52.037 -0.643 0.000 1.362 223 A CB -1.285 17.274 19.000 -0.734 0.000 1.137 223 A HN 0.798 nan 8.150 nan 0.000 0.617 224 N N -0.430 118.159 118.700 -0.186 0.000 2.938 224 N HA 0.150 4.890 4.740 -0.000 0.000 0.335 224 N C 0.838 176.303 175.510 -0.076 0.000 1.358 224 N CA -0.083 52.906 53.050 -0.103 0.000 0.812 224 N CB 0.161 38.619 38.487 -0.048 0.000 1.233 224 N HN 0.197 nan 8.380 nan 0.000 0.593 225 E N -0.258 119.917 120.200 -0.041 0.000 2.285 225 E HA -0.047 4.303 4.350 -0.000 0.000 0.194 225 E C 1.359 177.953 176.600 -0.009 0.000 0.997 225 E CA 0.595 56.977 56.400 -0.030 0.000 0.845 225 E CB -0.187 29.500 29.700 -0.023 0.000 0.782 225 E HN 0.540 nan 8.360 nan 0.000 0.491 226 I N 1.904 122.481 120.570 0.011 0.000 2.333 226 I HA -0.055 4.115 4.170 -0.000 0.000 0.246 226 I C 2.652 178.810 176.117 0.067 0.000 1.106 226 I CA 1.000 62.309 61.300 0.015 0.000 1.411 226 I CB -1.476 36.558 38.000 0.057 0.000 1.082 226 I HN 0.105 nan 8.210 nan 0.000 0.420 227 A N 1.366 124.258 122.820 0.121 0.000 1.892 227 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 227 A C 2.594 180.294 177.584 0.194 0.000 1.188 227 A CA 2.411 54.570 52.037 0.203 0.000 0.631 227 A CB -0.859 18.207 19.000 0.110 0.000 0.822 227 A HN 0.414 nan 8.150 nan 0.000 0.447 228 A N -0.677 122.186 122.820 0.072 0.000 1.877 228 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 228 A C 2.158 179.811 177.584 0.116 0.000 1.186 228 A CA 1.810 53.883 52.037 0.060 0.000 0.620 228 A CB -0.675 18.307 19.000 -0.030 0.000 0.822 228 A HN 0.747 nan 8.150 nan 0.000 0.443 229 L N -0.119 121.140 121.223 0.059 0.000 1.989 229 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 229 L C 2.701 179.605 176.870 0.057 0.000 1.071 229 L CA 2.436 57.294 54.840 0.031 0.000 0.749 229 L CB -0.899 41.136 42.059 -0.040 0.000 0.890 229 L HN 0.349 nan 8.230 nan 0.000 0.431 230 A N -1.219 121.629 122.820 0.047 0.000 1.940 230 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 230 A C 2.325 180.045 177.584 0.225 0.000 1.176 230 A CA 1.927 54.009 52.037 0.076 0.000 0.631 230 A CB -1.215 17.858 19.000 0.121 0.000 0.814 230 A HN 0.564 nan 8.150 nan 0.000 0.446 231 F N 0.358 120.426 119.950 0.197 0.000 2.075 231 F HA -0.185 4.342 4.527 -0.000 0.000 0.297 231 F C 2.341 178.298 175.800 0.262 0.000 1.113 231 F CA 2.076 60.260 58.000 0.307 0.000 1.218 231 F CB -0.083 39.056 39.000 0.232 0.000 0.984 231 F HN 0.052 nan 8.300 nan 0.000 0.472 232 V N 0.651 120.835 119.914 0.450 0.000 2.343 232 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 232 V C 1.993 178.198 176.094 0.186 0.000 1.051 232 V CA 2.007 64.488 62.300 0.302 0.000 1.036 232 V CB -0.816 31.111 31.823 0.174 0.000 0.654 232 V HN 0.374 nan 8.190 nan 0.000 0.451 233 N N 0.087 118.861 118.700 0.124 0.000 2.223 233 N HA -0.129 4.610 4.740 -0.000 0.000 0.185 233 N C 1.891 177.422 175.510 0.035 0.000 1.016 233 N CA 1.816 54.899 53.050 0.054 0.000 0.863 233 N CB -0.480 38.016 38.487 0.015 0.000 0.983 233 N HN 0.470 nan 8.380 nan 0.000 0.429 234 T N 0.714 115.293 114.554 0.042 0.000 2.737 234 T HA -0.036 4.314 4.350 -0.000 0.000 0.265 234 T C 2.183 176.894 174.700 0.018 0.000 1.038 234 T CA 0.768 62.817 62.100 -0.084 0.000 1.144 234 T CB -0.298 68.398 68.868 -0.286 0.000 0.866 234 T HN -0.039 nan 8.240 nan 0.000 0.434 235 V N 1.265 121.307 119.914 0.213 0.000 2.255 235 V HA -0.161 3.958 4.120 -0.000 0.000 0.247 235 V C 2.659 178.848 176.094 0.158 0.000 1.051 235 V CA 1.511 63.992 62.300 0.302 0.000 1.018 235 V CB -0.706 31.314 31.823 0.329 0.000 0.641 235 V HN 0.310 nan 8.190 nan 0.000 0.445 236 V N 0.021 119.996 119.914 0.101 0.000 2.323 236 V HA -0.179 3.941 4.120 -0.000 0.000 0.244 236 V C 2.662 178.759 176.094 0.005 0.000 1.041 236 V CA 1.856 64.184 62.300 0.048 0.000 1.025 236 V CB -1.035 30.807 31.823 0.031 0.000 0.656 236 V HN 0.548 nan 8.190 nan 0.000 0.451 237 A N -0.174 122.635 122.820 -0.019 0.000 1.933 237 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 237 A C 2.391 179.930 177.584 -0.075 0.000 1.175 237 A CA 2.435 54.437 52.037 -0.059 0.000 0.628 237 A CB -0.917 18.035 19.000 -0.081 0.000 0.814 237 A HN 0.506 nan 8.150 nan 0.000 0.444 238 T N 0.369 114.875 114.554 -0.080 0.000 2.708 238 T HA -0.021 4.329 4.350 -0.000 0.000 0.266 238 T C 2.260 176.905 174.700 -0.091 0.000 1.037 238 T CA 1.632 63.662 62.100 -0.117 0.000 1.146 238 T CB -0.496 68.332 68.868 -0.066 0.000 0.865 238 T HN 0.593 nan 8.240 nan 0.000 0.435 239 A N 1.542 124.336 122.820 -0.042 0.000 1.902 239 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 239 A C 2.655 180.232 177.584 -0.013 0.000 1.181 239 A CA 1.921 53.941 52.037 -0.029 0.000 0.623 239 A CB -1.160 17.846 19.000 0.009 0.000 0.818 239 A HN 0.512 nan 8.150 nan 0.000 0.443 240 A N -0.255 122.558 122.820 -0.012 0.000 1.902 240 A HA 0.165 4.485 4.320 -0.000 0.000 0.217 240 A C 2.481 180.077 177.584 0.019 0.000 1.181 240 A CA 2.081 54.115 52.037 -0.004 0.000 0.623 240 A CB -0.940 18.046 19.000 -0.023 0.000 0.818 240 A HN 1.064 nan 8.150 nan 0.000 0.443 241 A N -0.265 122.559 122.820 0.008 0.000 1.930 241 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 241 A C 2.092 179.736 177.584 0.099 0.000 1.175 241 A CA 1.342 53.411 52.037 0.052 0.000 0.627 241 A CB -0.540 18.461 19.000 0.002 0.000 0.815 241 A HN 0.487 nan 8.150 nan 0.000 0.443 242 I N -0.308 120.279 120.570 0.028 0.000 2.179 242 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 242 I C 2.327 178.518 176.117 0.122 0.000 1.088 242 I CA 1.222 62.539 61.300 0.029 0.000 1.357 242 I CB -0.274 37.703 38.000 -0.038 0.000 1.051 242 I HN 0.290 nan 8.210 nan 0.000 0.409 243 L N 0.078 121.365 121.223 0.108 0.000 2.093 243 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 243 L C 2.670 179.675 176.870 0.225 0.000 1.085 243 L CA 1.317 56.248 54.840 0.151 0.000 0.755 243 L CB -1.164 40.947 42.059 0.087 0.000 0.904 243 L HN 0.312 nan 8.230 nan 0.000 0.435 244 G N -0.387 108.531 108.800 0.196 0.000 2.459 244 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 244 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 244 G C 1.357 176.460 174.900 0.338 0.000 1.183 244 G CA 0.407 45.651 45.100 0.240 0.000 0.776 244 G HN 0.407 nan 8.290 nan 0.000 0.552 245 W N 2.256 123.630 121.300 0.123 0.000 2.355 245 W HA -0.141 4.519 4.660 -0.000 0.000 0.309 245 W C 2.509 179.105 176.519 0.129 0.000 1.206 245 W CA 1.944 59.354 57.345 0.108 0.000 1.284 245 W CB -0.477 29.020 29.460 0.062 0.000 1.145 245 W HN 0.351 nan 8.180 nan 0.000 0.502 246 I N -1.505 119.355 120.570 0.484 0.000 2.394 246 I HA -0.146 4.024 4.170 -0.000 0.000 0.251 246 I C 2.414 178.783 176.117 0.421 0.000 1.136 246 I CA 1.753 63.286 61.300 0.389 0.000 1.425 246 I CB -1.598 36.552 38.000 0.250 0.000 1.079 246 I HN -0.092 nan 8.210 nan 0.000 0.425 247 F N 2.646 122.759 119.950 0.272 0.000 2.102 247 F HA 0.038 4.565 4.527 -0.000 0.000 0.298 247 F C 2.307 178.211 175.800 0.173 0.000 1.105 247 F CA 1.696 59.827 58.000 0.219 0.000 1.239 247 F CB -1.059 38.013 39.000 0.119 0.000 0.991 247 F HN 0.111 nan 8.300 nan 0.000 0.474 248 G N -0.333 108.443 108.800 -0.039 0.000 2.421 248 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.216 248 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.216 248 G C 1.596 176.406 174.900 -0.149 0.000 1.171 248 G CA 0.846 45.816 45.100 -0.216 0.000 0.775 248 G HN 0.512 nan 8.290 nan 0.000 0.543 249 E N -0.970 119.231 120.200 0.002 0.000 2.047 249 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 249 E C 2.129 178.799 176.600 0.115 0.000 0.987 249 E CA 0.820 57.258 56.400 0.063 0.000 0.799 249 E CB -0.257 29.564 29.700 0.201 0.000 0.752 249 E HN 0.487 nan 8.360 nan 0.000 0.449 250 W N 1.204 122.471 121.300 -0.054 0.000 2.355 250 W HA -0.047 4.613 4.660 -0.000 0.000 0.309 250 W C 2.210 178.659 176.519 -0.117 0.000 1.206 250 W CA 1.900 59.214 57.345 -0.051 0.000 1.284 250 W CB -0.816 28.639 29.460 -0.008 0.000 1.145 250 W HN 0.198 nan 8.180 nan 0.000 0.502 251 A N 0.008 122.811 122.820 -0.028 0.000 1.873 251 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 251 A C 2.244 179.764 177.584 -0.108 0.000 1.186 251 A CA 1.855 53.769 52.037 -0.205 0.000 0.616 251 A CB -0.952 17.713 19.000 -0.559 0.000 0.823 251 A HN 0.285 nan 8.150 nan 0.000 0.442 252 L N -2.345 118.819 121.223 -0.098 0.000 2.354 252 L HA 0.096 4.436 4.340 -0.000 0.000 0.212 252 L C 2.451 179.312 176.870 -0.015 0.000 1.091 252 L CA 0.701 55.505 54.840 -0.061 0.000 0.828 252 L CB -0.100 41.914 42.059 -0.075 0.000 0.973 252 L HN 0.269 nan 8.230 nan 0.000 0.461 253 R N -0.988 119.519 120.500 0.013 0.000 2.394 253 R HA 0.269 4.609 4.340 -0.000 0.000 0.220 253 R C 1.228 177.558 176.300 0.049 0.000 0.887 253 R CA 0.603 56.717 56.100 0.025 0.000 1.034 253 R CB 0.994 31.307 30.300 0.022 0.000 1.179 253 R HN 0.276 nan 8.270 nan 0.000 0.561 254 G N 0.993 109.855 108.800 0.104 0.000 2.218 254 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 254 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 254 G C -0.079 174.927 174.900 0.177 0.000 0.994 254 G CA -0.272 44.922 45.100 0.155 0.000 0.637 254 G HN 0.189 nan 8.290 nan 0.000 0.505 255 K N 0.870 121.286 120.400 0.027 0.000 2.498 255 K HA 0.512 4.832 4.320 -0.000 0.000 0.254 255 K C -3.054 173.341 176.600 -0.341 0.000 0.933 255 K CA -1.877 54.264 56.287 -0.244 0.000 0.806 255 K CB 3.548 35.952 32.500 -0.160 0.000 1.301 255 K HN 0.017 nan 8.250 nan 0.000 0.432 256 P HA 0.082 nan 4.420 nan 0.000 0.286 256 P C -0.944 176.191 177.300 -0.276 0.000 1.269 256 P CA -0.343 62.488 63.100 -0.448 0.000 0.787 256 P CB 1.336 32.565 31.700 -0.785 0.000 0.920 257 S N 3.376 119.003 115.700 -0.123 0.000 2.600 257 S HA 0.285 4.755 4.470 -0.000 0.000 0.300 257 S C 0.990 175.532 174.600 -0.096 0.000 1.087 257 S CA -0.864 57.277 58.200 -0.099 0.000 0.965 257 S CB 1.319 64.495 63.200 -0.040 0.000 1.089 257 S HN 0.342 nan 8.310 nan 0.000 0.496 258 L N 1.109 122.271 121.223 -0.102 0.000 1.994 258 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 258 L C 2.070 178.888 176.870 -0.086 0.000 1.071 258 L CA 1.946 56.727 54.840 -0.099 0.000 0.745 258 L CB -0.985 41.009 42.059 -0.109 0.000 0.892 258 L HN 0.866 nan 8.230 nan 0.000 0.431 259 L N 0.678 121.852 121.223 -0.082 0.000 2.131 259 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 259 L C 2.417 179.160 176.870 -0.211 0.000 1.092 259 L CA 1.936 56.715 54.840 -0.101 0.000 0.759 259 L CB -1.217 40.803 42.059 -0.064 0.000 0.903 259 L HN 0.277 nan 8.230 nan 0.000 0.435 260 G N -1.004 107.690 108.800 -0.177 0.000 2.421 260 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 260 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 260 G C 1.614 176.128 174.900 -0.644 0.000 1.171 260 G CA 0.864 45.733 45.100 -0.384 0.000 0.775 260 G HN 0.615 nan 8.290 nan 0.000 0.543 261 A N -0.019 122.638 122.820 -0.271 0.000 1.902 261 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 261 A C 2.607 180.044 177.584 -0.244 0.000 1.181 261 A CA 1.867 53.786 52.037 -0.197 0.000 0.623 261 A CB -1.039 17.908 19.000 -0.089 0.000 0.818 261 A HN 0.435 nan 8.150 nan 0.000 0.443 262 C N -0.591 118.594 119.300 -0.192 0.000 2.429 262 C HA -0.065 4.395 4.460 -0.000 0.000 0.277 262 C C 3.265 178.111 174.990 -0.240 0.000 1.262 262 C CA 1.338 60.281 59.018 -0.124 0.000 1.733 262 C CB -1.276 26.483 27.740 0.032 0.000 2.010 262 C HN 0.626 nan 8.230 nan 0.000 0.483 263 S N 0.740 116.152 115.700 -0.481 0.000 2.383 263 S HA -0.051 4.418 4.470 -0.000 0.000 0.227 263 S C 2.083 176.199 174.600 -0.807 0.000 1.026 263 S CA 1.421 59.191 58.200 -0.717 0.000 0.981 263 S CB -0.679 61.779 63.200 -1.237 0.000 0.818 263 S HN 0.764 nan 8.310 nan 0.000 0.472 264 G N 1.623 109.899 108.800 -0.873 0.000 2.418 264 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.217 264 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.217 264 G C 1.588 176.381 174.900 -0.179 0.000 1.158 264 G CA 0.902 45.864 45.100 -0.231 0.000 0.771 264 G HN 0.571 nan 8.290 nan 0.000 0.545 265 A N 1.191 123.860 122.820 -0.251 0.000 1.873 265 A HA -0.074 4.245 4.320 -0.000 0.000 0.218 265 A C 2.348 179.730 177.584 -0.337 0.000 1.193 265 A CA 1.734 53.607 52.037 -0.273 0.000 0.629 265 A CB -0.376 18.450 19.000 -0.291 0.000 0.826 265 A HN 0.279 nan 8.150 nan 0.000 0.447 266 I N 0.003 120.367 120.570 -0.344 0.000 2.226 266 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 266 I C 2.961 178.828 176.117 -0.417 0.000 1.100 266 I CA 1.378 62.425 61.300 -0.422 0.000 1.374 266 I CB -1.823 35.958 38.000 -0.365 0.000 1.057 266 I HN 0.372 nan 8.210 nan 0.000 0.413 267 A N 1.200 123.874 122.820 -0.245 0.000 1.883 267 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 267 A C 2.548 180.024 177.584 -0.180 0.000 1.186 267 A CA 2.167 54.127 52.037 -0.129 0.000 0.624 267 A CB -1.436 17.636 19.000 0.120 0.000 0.822 267 A HN 0.430 nan 8.150 nan 0.000 0.444 268 G N -0.370 108.318 108.800 -0.186 0.000 2.418 268 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 268 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 268 G C 1.577 176.273 174.900 -0.340 0.000 1.158 268 G CA 1.060 46.039 45.100 -0.202 0.000 0.771 268 G HN 0.434 nan 8.290 nan 0.000 0.545 269 L N 0.123 120.988 121.223 -0.597 0.000 2.046 269 L HA -0.106 4.233 4.340 -0.000 0.000 0.208 269 L C 3.024 179.434 176.870 -0.766 0.000 1.077 269 L CA 0.564 54.763 54.840 -1.070 0.000 0.747 269 L CB -0.474 40.353 42.059 -2.054 0.000 0.896 269 L HN 0.103 nan 8.230 nan 0.000 0.432 270 V N 0.022 119.572 119.914 -0.606 0.000 2.295 270 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 270 V C 2.610 178.619 176.094 -0.142 0.000 1.049 270 V CA 2.070 64.110 62.300 -0.432 0.000 1.024 270 V CB -1.278 30.208 31.823 -0.562 0.000 0.648 270 V HN 0.573 nan 8.190 nan 0.000 0.447 271 G N -0.974 107.751 108.800 -0.124 0.000 2.418 271 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 271 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 271 G C 1.687 176.618 174.900 0.052 0.000 1.158 271 G CA 1.156 46.251 45.100 -0.009 0.000 0.771 271 G HN 0.386 nan 8.290 nan 0.000 0.545 272 V N 0.631 120.548 119.914 0.005 0.000 3.306 272 V HA -0.029 4.091 4.120 -0.000 0.000 0.264 272 V C 2.889 179.101 176.094 0.197 0.000 1.149 272 V CA 2.011 64.347 62.300 0.060 0.000 1.143 272 V CB -0.466 31.342 31.823 -0.025 0.000 0.767 272 V HN 0.385 nan 8.190 nan 0.000 0.476 273 T N 1.965 116.700 114.554 0.301 0.000 2.597 273 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 273 T C -0.165 174.870 174.700 0.558 0.000 1.053 273 T CA 2.311 64.759 62.100 0.580 0.000 1.165 273 T CB -1.286 68.098 68.868 0.859 0.000 0.863 273 T HN 0.547 nan 8.240 nan 0.000 0.427 274 P HA 0.095 nan 4.420 nan 0.000 0.223 274 P C 0.968 178.569 177.300 0.503 0.000 1.151 274 P CA 1.135 64.535 63.100 0.501 0.000 0.787 274 P CB -0.054 31.889 31.700 0.404 0.000 0.788 275 A N -0.171 122.869 122.820 0.367 0.000 2.115 275 A HA -0.008 4.311 4.320 -0.000 0.000 0.211 275 A C 2.388 180.043 177.584 0.119 0.000 1.169 275 A CA 0.782 52.999 52.037 0.300 0.000 0.787 275 A CB -1.569 17.561 19.000 0.216 0.000 0.858 275 A HN 0.392 nan 8.150 nan 0.000 0.474 276 C N -1.583 117.750 119.300 0.055 0.000 2.422 276 C HA 0.136 4.596 4.460 -0.000 0.000 0.279 276 C C 2.304 177.051 174.990 -0.406 0.000 1.305 276 C CA 0.712 59.680 59.018 -0.082 0.000 1.757 276 C CB -1.614 26.161 27.740 0.058 0.000 1.962 276 C HN 0.504 nan 8.230 nan 0.000 0.499 277 G N -2.175 105.973 108.800 -1.087 0.000 3.189 277 G HA2 0.318 4.278 3.960 -0.000 0.000 0.225 277 G HA3 0.318 4.278 3.960 -0.000 0.000 0.225 277 G C 0.765 175.082 174.900 -0.972 0.000 1.159 277 G CA 0.209 44.359 45.100 -1.583 0.000 0.763 277 G HN 0.615 nan 8.290 nan 0.000 0.549 278 Y N 0.050 120.193 120.300 -0.262 0.000 2.430 278 Y HA 0.379 4.929 4.550 -0.000 0.000 0.254 278 Y C 1.189 177.060 175.900 -0.049 0.000 1.088 278 Y CA -1.526 56.523 58.100 -0.085 0.000 1.267 278 Y CB 0.271 38.742 38.460 0.019 0.000 1.204 278 Y HN 0.232 nan 8.280 nan 0.000 0.515 279 I N -2.063 118.556 120.570 0.081 0.000 2.982 279 I HA 0.918 5.088 4.170 -0.000 0.000 0.312 279 I C 0.561 176.696 176.117 0.029 0.000 1.041 279 I CA -1.207 60.145 61.300 0.086 0.000 1.053 279 I CB 1.521 39.586 38.000 0.108 0.000 1.248 279 I HN -0.020 nan 8.210 nan 0.000 0.471 280 G N 0.733 109.556 108.800 0.039 0.000 2.511 280 G HA2 0.385 4.345 3.960 -0.000 0.000 0.316 280 G HA3 0.385 4.345 3.960 -0.000 0.000 0.316 280 G C 0.348 175.241 174.900 -0.011 0.000 1.210 280 G CA -0.463 44.646 45.100 0.015 0.000 0.969 280 G HN 0.629 nan 8.290 nan 0.000 0.492 281 V N 0.713 120.622 119.914 -0.008 0.000 2.667 281 V HA 0.016 4.136 4.120 -0.000 0.000 0.252 281 V C 2.552 178.619 176.094 -0.044 0.000 1.065 281 V CA 2.779 65.069 62.300 -0.016 0.000 1.083 281 V CB -0.578 31.248 31.823 0.005 0.000 0.692 281 V HN 0.810 nan 8.190 nan 0.000 0.468 282 G N -0.433 108.343 108.800 -0.040 0.000 2.408 282 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.217 282 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.217 282 G C 1.576 176.369 174.900 -0.177 0.000 1.150 282 G CA 0.745 45.807 45.100 -0.063 0.000 0.776 282 G HN 0.631 nan 8.290 nan 0.000 0.542 283 G N 1.208 109.874 108.800 -0.224 0.000 2.440 283 G HA2 0.006 3.966 3.960 -0.000 0.000 0.218 283 G HA3 0.006 3.966 3.960 -0.000 0.000 0.218 283 G C 2.048 176.664 174.900 -0.473 0.000 1.154 283 G CA 1.558 46.295 45.100 -0.606 0.000 0.767 283 G HN 0.629 nan 8.290 nan 0.000 0.552 284 A N 0.367 123.056 122.820 -0.218 0.000 1.933 284 A HA 0.074 4.393 4.320 -0.000 0.000 0.218 284 A C 2.386 179.886 177.584 -0.140 0.000 1.175 284 A CA 1.498 53.450 52.037 -0.141 0.000 0.628 284 A CB -0.414 18.547 19.000 -0.065 0.000 0.814 284 A HN 0.415 nan 8.150 nan 0.000 0.444 285 L N -0.457 120.685 121.223 -0.135 0.000 2.017 285 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 285 L C 2.392 179.187 176.870 -0.126 0.000 1.073 285 L CA 1.622 56.401 54.840 -0.102 0.000 0.745 285 L CB -0.236 41.777 42.059 -0.077 0.000 0.894 285 L HN 0.437 nan 8.230 nan 0.000 0.432 286 I N -0.353 120.094 120.570 -0.205 0.000 2.179 286 I HA -0.341 3.828 4.170 -0.000 0.000 0.242 286 I C 2.396 178.413 176.117 -0.167 0.000 1.088 286 I CA 1.496 62.677 61.300 -0.199 0.000 1.357 286 I CB -0.263 37.545 38.000 -0.321 0.000 1.051 286 I HN 0.244 nan 8.210 nan 0.000 0.409 287 I N 0.755 121.184 120.570 -0.236 0.000 2.208 287 I HA -0.250 3.919 4.170 -0.000 0.000 0.245 287 I C 2.658 178.740 176.117 -0.058 0.000 1.097 287 I CA 1.674 62.908 61.300 -0.111 0.000 1.363 287 I CB -0.858 37.084 38.000 -0.096 0.000 1.051 287 I HN 0.294 nan 8.210 nan 0.000 0.413 288 G N 0.403 109.160 108.800 -0.072 0.000 2.459 288 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 288 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 288 G C 1.696 176.590 174.900 -0.009 0.000 1.183 288 G CA 0.986 46.059 45.100 -0.045 0.000 0.776 288 G HN 0.244 nan 8.290 nan 0.000 0.552 289 V N 0.497 120.403 119.914 -0.013 0.000 2.295 289 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 289 V C 3.067 179.183 176.094 0.036 0.000 1.049 289 V CA 1.561 63.871 62.300 0.017 0.000 1.024 289 V CB -0.455 31.363 31.823 -0.007 0.000 0.648 289 V HN 0.247 nan 8.190 nan 0.000 0.447 290 V N 0.355 120.280 119.914 0.019 0.000 2.343 290 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 290 V C 2.695 178.812 176.094 0.038 0.000 1.051 290 V CA 2.107 64.423 62.300 0.028 0.000 1.036 290 V CB -1.172 30.670 31.823 0.031 0.000 0.654 290 V HN 0.564 nan 8.190 nan 0.000 0.451 291 A N 0.462 123.304 122.820 0.036 0.000 1.930 291 A HA -0.048 4.271 4.320 -0.000 0.000 0.217 291 A C 2.426 180.068 177.584 0.096 0.000 1.175 291 A CA 1.816 53.882 52.037 0.047 0.000 0.627 291 A CB -1.204 17.802 19.000 0.010 0.000 0.815 291 A HN 0.523 nan 8.150 nan 0.000 0.443 292 G N -0.043 108.829 108.800 0.120 0.000 2.446 292 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 292 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 292 G C 1.549 176.538 174.900 0.148 0.000 1.168 292 G CA 1.137 46.380 45.100 0.239 0.000 0.771 292 G HN 0.436 nan 8.290 nan 0.000 0.551 293 L N 0.521 121.784 121.223 0.067 0.000 2.109 293 L HA 0.051 4.391 4.340 -0.000 0.000 0.207 293 L C 3.380 180.240 176.870 -0.016 0.000 1.086 293 L CA 0.804 55.637 54.840 -0.012 0.000 0.760 293 L CB -0.329 41.750 42.059 0.034 0.000 0.910 293 L HN 0.304 nan 8.230 nan 0.000 0.437 294 A N 0.388 123.232 122.820 0.040 0.000 1.898 294 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 294 A C 2.406 180.095 177.584 0.174 0.000 1.181 294 A CA 1.650 53.755 52.037 0.112 0.000 0.620 294 A CB -1.218 17.833 19.000 0.085 0.000 0.819 294 A HN 0.421 nan 8.150 nan 0.000 0.442 295 G N -0.110 108.756 108.800 0.109 0.000 2.418 295 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 295 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 295 G C 1.482 176.236 174.900 -0.244 0.000 1.158 295 G CA 1.250 46.438 45.100 0.146 0.000 0.771 295 G HN 0.492 nan 8.290 nan 0.000 0.545 296 L N -0.367 120.353 121.223 -0.839 0.000 2.017 296 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 296 L C 2.433 179.080 176.870 -0.371 0.000 1.073 296 L CA 1.879 56.010 54.840 -1.182 0.000 0.745 296 L CB -0.869 40.471 42.059 -1.199 0.000 0.894 296 L HN 0.450 nan 8.230 nan 0.000 0.432 297 W N 0.546 121.666 121.300 -0.301 0.000 2.338 297 W HA -0.114 4.546 4.660 -0.000 0.000 0.304 297 W C 2.269 178.753 176.519 -0.058 0.000 1.212 297 W CA 2.471 59.735 57.345 -0.135 0.000 1.264 297 W CB -0.824 28.587 29.460 -0.082 0.000 1.142 297 W HN 0.240 nan 8.180 nan 0.000 0.512 298 G N 0.290 109.064 108.800 -0.042 0.000 2.440 298 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 298 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 298 G C 1.327 176.134 174.900 -0.155 0.000 1.154 298 G CA 2.195 47.193 45.100 -0.170 0.000 0.767 298 G HN 0.600 nan 8.290 nan 0.000 0.552 299 V N -0.850 119.031 119.914 -0.055 0.000 3.649 299 V HA 0.217 4.337 4.120 -0.000 0.000 0.275 299 V C 1.922 177.998 176.094 -0.030 0.000 1.281 299 V CA 1.738 64.056 62.300 0.029 0.000 1.143 299 V CB -0.221 31.723 31.823 0.202 0.000 0.892 299 V HN 0.463 nan 8.190 nan 0.000 0.441 300 T N -2.693 111.782 114.554 -0.131 0.000 3.571 300 T HA 0.231 4.581 4.350 -0.000 0.000 0.217 300 T C 1.795 176.388 174.700 -0.179 0.000 0.925 300 T CA 0.783 62.815 62.100 -0.113 0.000 1.376 300 T CB -0.209 68.602 68.868 -0.094 0.000 1.375 300 T HN 0.211 nan 8.240 nan 0.000 0.404 301 M N 0.761 120.196 119.600 -0.275 0.000 2.132 301 M HA 0.144 4.624 4.480 -0.000 0.000 0.263 301 M C 2.364 178.406 176.300 -0.430 0.000 1.065 301 M CA 1.326 56.454 55.300 -0.287 0.000 1.122 301 M CB -0.518 31.977 32.600 -0.175 0.000 1.365 301 M HN 0.237 nan 8.290 nan 0.000 0.411 302 L N 0.619 121.337 121.223 -0.842 0.000 2.056 302 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 302 L C 2.303 179.011 176.870 -0.271 0.000 1.078 302 L CA 1.893 56.322 54.840 -0.686 0.000 0.749 302 L CB -0.619 40.820 42.059 -1.034 0.000 0.901 302 L HN 0.077 nan 8.230 nan 0.000 0.433 303 K N -0.125 120.152 120.400 -0.205 0.000 2.063 303 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 303 K C 2.302 178.883 176.600 -0.031 0.000 1.048 303 K CA 1.706 57.954 56.287 -0.065 0.000 0.928 303 K CB -0.238 32.250 32.500 -0.021 0.000 0.713 303 K HN 0.258 nan 8.250 nan 0.000 0.442 304 R N -0.215 120.255 120.500 -0.051 0.000 2.081 304 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 304 R C 2.430 178.733 176.300 0.004 0.000 1.131 304 R CA 1.576 57.669 56.100 -0.010 0.000 0.960 304 R CB -0.442 29.843 30.300 -0.025 0.000 0.856 304 R HN 0.241 nan 8.270 nan 0.000 0.436 305 L N 0.689 121.899 121.223 -0.021 0.000 2.046 305 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 305 L C 2.074 178.965 176.870 0.035 0.000 1.077 305 L CA 1.304 56.151 54.840 0.012 0.000 0.747 305 L CB -0.062 42.002 42.059 0.007 0.000 0.896 305 L HN 0.232 nan 8.230 nan 0.000 0.432 306 L N -1.125 120.112 121.223 0.023 0.000 2.313 306 L HA -0.053 4.286 4.340 -0.000 0.000 0.214 306 L C 0.813 177.735 176.870 0.087 0.000 1.119 306 L CA 0.170 55.045 54.840 0.059 0.000 0.809 306 L CB -0.202 41.856 42.059 -0.002 0.000 0.933 306 L HN 0.229 nan 8.230 nan 0.000 0.449 307 R N -0.254 120.283 120.500 0.062 0.000 3.251 307 R HA -0.157 4.183 4.340 -0.000 0.000 0.249 307 R C -0.567 175.741 176.300 0.013 0.000 0.949 307 R CA 0.221 56.370 56.100 0.082 0.000 0.645 307 R CB -1.811 28.547 30.300 0.097 0.000 1.065 307 R HN 0.188 nan 8.270 nan 0.000 0.452 308 V N 0.165 120.020 119.914 -0.099 0.000 2.769 308 V HA 0.347 4.467 4.120 -0.000 0.000 0.312 308 V C -0.653 175.261 176.094 -0.301 0.000 1.061 308 V CA -0.808 61.304 62.300 -0.313 0.000 0.931 308 V CB 2.247 33.666 31.823 -0.672 0.000 1.010 308 V HN 0.193 nan 8.190 nan 0.000 0.433 309 D N 3.815 123.949 120.400 -0.444 0.000 2.479 309 D HA 0.281 4.921 4.640 -0.000 0.000 0.218 309 D C -0.861 175.296 176.300 -0.239 0.000 1.131 309 D CA -0.055 53.713 54.000 -0.385 0.000 0.916 309 D CB 0.742 41.140 40.800 -0.669 0.000 1.022 309 D HN 0.594 nan 8.370 nan 0.000 0.515 310 D N 4.341 124.660 120.400 -0.134 0.000 2.479 310 D HA 0.269 4.909 4.640 -0.000 0.000 0.247 310 D C -1.903 174.366 176.300 -0.052 0.000 1.119 310 D CA -2.297 51.635 54.000 -0.114 0.000 0.922 310 D CB 1.635 42.392 40.800 -0.072 0.000 1.014 310 D HN 0.107 nan 8.370 nan 0.000 0.510 311 P HA -0.065 nan 4.420 nan 0.000 0.218 311 P C 0.846 178.127 177.300 -0.030 0.000 1.148 311 P CA 0.804 63.879 63.100 -0.042 0.000 0.822 311 P CB 0.275 31.910 31.700 -0.109 0.000 0.784 312 C N -1.261 117.983 119.300 -0.092 0.000 2.693 312 C HA 0.181 4.640 4.460 -0.000 0.000 0.286 312 C C 0.303 175.364 174.990 0.118 0.000 1.277 312 C CA -0.538 58.458 59.018 -0.036 0.000 1.705 312 C CB -1.905 25.656 27.740 -0.298 0.000 1.879 312 C HN 0.339 nan 8.230 nan 0.000 0.607 313 D N 0.545 121.006 120.400 0.102 0.000 2.686 313 D HA -0.132 4.508 4.640 -0.000 0.000 0.235 313 D C 1.113 177.565 176.300 0.252 0.000 1.160 313 D CA 0.493 54.597 54.000 0.172 0.000 0.645 313 D CB -0.815 40.102 40.800 0.196 0.000 1.039 313 D HN 0.310 nan 8.370 nan 0.000 0.423 314 V N -0.583 119.466 119.914 0.225 0.000 2.343 314 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 314 V C 2.062 178.356 176.094 0.333 0.000 1.051 314 V CA 1.952 64.443 62.300 0.318 0.000 1.036 314 V CB -0.436 31.491 31.823 0.175 0.000 0.654 314 V HN 0.391 nan 8.190 nan 0.000 0.451 315 F N 1.935 121.975 119.950 0.149 0.000 2.128 315 F HA 0.053 4.580 4.527 -0.000 0.000 0.295 315 F C 2.247 178.143 175.800 0.161 0.000 1.100 315 F CA 1.504 59.593 58.000 0.148 0.000 1.260 315 F CB -0.817 38.228 39.000 0.076 0.000 1.009 315 F HN 0.147 nan 8.300 nan 0.000 0.476 316 G N -0.448 108.452 108.800 0.166 0.000 2.462 316 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.220 316 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.220 316 G C 1.473 176.408 174.900 0.059 0.000 1.121 316 G CA 1.374 46.525 45.100 0.085 0.000 0.758 316 G HN 0.367 nan 8.290 nan 0.000 0.559 317 V N -0.727 119.241 119.914 0.090 0.000 2.602 317 V HA 0.058 4.178 4.120 -0.000 0.000 0.235 317 V C 2.288 178.318 176.094 -0.106 0.000 1.087 317 V CA 0.820 63.139 62.300 0.031 0.000 1.117 317 V CB -0.595 31.255 31.823 0.046 0.000 0.820 317 V HN 0.334 nan 8.190 nan 0.000 0.490 318 H N 0.458 119.553 119.070 0.041 0.000 2.389 318 H HA -0.042 4.514 4.556 -0.000 0.000 0.299 318 H C 2.278 177.607 175.328 0.003 0.000 1.081 318 H CA 1.697 57.783 56.048 0.062 0.000 1.345 318 H CB -0.208 29.675 29.762 0.202 0.000 1.393 318 H HN 0.492 nan 8.280 nan 0.000 0.520 319 G N 0.360 109.092 108.800 -0.113 0.000 2.404 319 G HA2 -0.124 3.835 3.960 -0.000 0.000 0.213 319 G HA3 -0.124 3.835 3.960 -0.000 0.000 0.213 319 G C 1.939 176.644 174.900 -0.325 0.000 1.189 319 G CA 0.714 45.585 45.100 -0.382 0.000 0.796 319 G HN 0.198 nan 8.290 nan 0.000 0.532 320 V N 0.839 120.522 119.914 -0.386 0.000 2.261 320 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 320 V C 3.048 179.149 176.094 0.012 0.000 1.047 320 V CA 1.942 64.192 62.300 -0.084 0.000 1.015 320 V CB -0.722 31.134 31.823 0.056 0.000 0.642 320 V HN 0.496 nan 8.190 nan 0.000 0.446 321 C N 0.720 120.015 119.300 -0.008 0.000 2.432 321 C HA 0.038 4.498 4.460 -0.000 0.000 0.280 321 C C 2.848 177.855 174.990 0.028 0.000 1.353 321 C CA 0.408 59.428 59.018 0.004 0.000 1.766 321 C CB -1.699 26.010 27.740 -0.052 0.000 1.924 321 C HN 0.697 nan 8.230 nan 0.000 0.509 322 G N 0.667 109.501 108.800 0.055 0.000 2.408 322 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.217 322 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.217 322 G C 1.476 176.469 174.900 0.156 0.000 1.150 322 G CA 0.577 45.770 45.100 0.157 0.000 0.776 322 G HN 0.522 nan 8.290 nan 0.000 0.542 323 I N 0.271 120.914 120.570 0.122 0.000 2.202 323 I HA -0.137 4.033 4.170 -0.000 0.000 0.242 323 I C 2.785 178.974 176.117 0.119 0.000 1.091 323 I CA 0.413 61.790 61.300 0.129 0.000 1.368 323 I CB -0.285 37.791 38.000 0.127 0.000 1.058 323 I HN 0.007 nan 8.210 nan 0.000 0.410 324 V N 1.150 121.124 119.914 0.100 0.000 2.282 324 V HA -0.293 3.827 4.120 -0.000 0.000 0.249 324 V C 2.564 178.729 176.094 0.119 0.000 1.057 324 V CA 2.403 64.760 62.300 0.094 0.000 1.032 324 V CB -1.486 30.380 31.823 0.072 0.000 0.645 324 V HN 0.607 nan 8.190 nan 0.000 0.447 325 G N -1.662 107.213 108.800 0.125 0.000 2.418 325 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 325 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 325 G C 1.740 176.756 174.900 0.193 0.000 1.158 325 G CA 1.224 46.416 45.100 0.154 0.000 0.771 325 G HN 0.535 nan 8.290 nan 0.000 0.545 326 C N 0.284 119.699 119.300 0.191 0.000 2.429 326 C HA 0.058 4.518 4.460 -0.000 0.000 0.277 326 C C 2.844 177.934 174.990 0.168 0.000 1.262 326 C CA 0.438 59.572 59.018 0.194 0.000 1.733 326 C CB -0.914 26.933 27.740 0.178 0.000 2.010 326 C HN 0.471 nan 8.230 nan 0.000 0.483 327 I N 0.363 121.020 120.570 0.146 0.000 2.163 327 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 327 I C 2.520 178.728 176.117 0.152 0.000 1.081 327 I CA 1.694 63.070 61.300 0.126 0.000 1.353 327 I CB -0.410 37.652 38.000 0.103 0.000 1.054 327 I HN 0.314 nan 8.210 nan 0.000 0.407 328 M N -0.182 119.532 119.600 0.189 0.000 2.279 328 M HA -0.158 4.322 4.480 -0.000 0.000 0.264 328 M C 2.188 178.686 176.300 0.330 0.000 1.062 328 M CA 1.521 56.989 55.300 0.281 0.000 1.099 328 M CB -0.639 32.150 32.600 0.316 0.000 1.394 328 M HN 0.250 nan 8.290 nan 0.000 0.426 329 T N 0.257 114.972 114.554 0.269 0.000 2.788 329 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 329 T C 1.780 176.620 174.700 0.233 0.000 1.044 329 T CA 1.604 63.869 62.100 0.274 0.000 1.139 329 T CB -0.569 68.468 68.868 0.283 0.000 0.867 329 T HN 0.654 nan 8.240 nan 0.000 0.454 330 G N 0.341 109.265 108.800 0.206 0.000 2.598 330 G HA2 0.035 3.994 3.960 -0.000 0.000 0.215 330 G HA3 0.035 3.994 3.960 -0.000 0.000 0.215 330 G C 1.369 176.426 174.900 0.262 0.000 1.131 330 G CA 0.134 45.373 45.100 0.232 0.000 0.785 330 G HN 0.473 nan 8.290 nan 0.000 0.539 331 I N -0.993 119.651 120.570 0.123 0.000 2.499 331 I HA 0.141 4.311 4.170 -0.000 0.000 0.243 331 I C 1.767 177.763 176.117 -0.202 0.000 1.085 331 I CA 0.498 61.745 61.300 -0.089 0.000 1.422 331 I CB -0.078 37.704 38.000 -0.363 0.000 1.165 331 I HN 0.004 nan 8.210 nan 0.000 0.440 332 F N 1.142 121.139 119.950 0.078 0.000 2.780 332 F HA 0.158 4.685 4.527 -0.000 0.000 0.299 332 F C 2.351 178.124 175.800 -0.045 0.000 1.146 332 F CA 0.459 58.472 58.000 0.021 0.000 1.428 332 F CB -0.549 38.476 39.000 0.041 0.000 1.115 332 F HN -0.030 nan 8.300 nan 0.000 0.583 333 A N 0.431 123.253 122.820 0.004 0.000 2.121 333 A HA 0.235 4.555 4.320 -0.000 0.000 0.218 333 A C 1.664 178.921 177.584 -0.545 0.000 1.154 333 A CA 0.623 52.544 52.037 -0.195 0.000 0.679 333 A CB -1.004 17.857 19.000 -0.231 0.000 0.795 333 A HN 0.155 nan 8.150 nan 0.000 0.458 334 A N -0.250 122.176 122.820 -0.657 0.000 2.546 334 A HA 0.317 4.637 4.320 -0.000 0.000 0.243 334 A C 1.504 178.933 177.584 -0.258 0.000 1.063 334 A CA 0.613 52.283 52.037 -0.613 0.000 0.757 334 A CB -0.013 18.860 19.000 -0.213 0.000 0.991 334 A HN 0.395 nan 8.150 nan 0.000 0.503 335 S N 1.399 116.981 115.700 -0.197 0.000 2.370 335 S HA -0.183 4.287 4.470 -0.000 0.000 0.226 335 S C 2.255 176.837 174.600 -0.030 0.000 1.033 335 S CA 2.190 60.344 58.200 -0.078 0.000 1.011 335 S CB -0.462 62.715 63.200 -0.038 0.000 0.852 335 S HN 1.284 nan 8.310 nan 0.000 0.457 336 S N 0.647 116.336 115.700 -0.018 0.000 2.447 336 S HA 0.088 4.558 4.470 -0.000 0.000 0.233 336 S C 1.358 175.969 174.600 0.018 0.000 1.006 336 S CA 0.686 58.890 58.200 0.007 0.000 0.957 336 S CB -0.424 62.787 63.200 0.018 0.000 0.773 336 S HN 0.550 nan 8.310 nan 0.000 0.507 337 L N 0.754 121.986 121.223 0.016 0.000 2.700 337 L HA 0.427 4.767 4.340 -0.000 0.000 0.234 337 L C 1.603 178.541 176.870 0.114 0.000 1.156 337 L CA 0.232 55.121 54.840 0.082 0.000 0.946 337 L CB -0.087 42.018 42.059 0.077 0.000 1.216 337 L HN 0.556 nan 8.230 nan 0.000 0.493 338 G N -0.209 108.623 108.800 0.053 0.000 2.175 338 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 338 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 338 G C 0.546 175.466 174.900 0.032 0.000 0.982 338 G CA -0.198 44.928 45.100 0.044 0.000 0.641 338 G HN 0.495 nan 8.290 nan 0.000 0.527 339 G N -0.805 108.005 108.800 0.017 0.000 2.563 339 G HA2 0.582 4.542 3.960 -0.000 0.000 0.283 339 G HA3 0.582 4.542 3.960 -0.000 0.000 0.283 339 G C 1.438 176.324 174.900 -0.023 0.000 1.309 339 G CA 0.774 45.875 45.100 0.001 0.000 1.022 339 G HN 1.298 nan 8.290 nan 0.000 0.501 340 V N -2.478 117.435 119.914 -0.000 0.000 3.217 340 V HA 0.492 4.612 4.120 -0.000 0.000 0.264 340 V C 1.135 177.217 176.094 -0.020 0.000 1.135 340 V CA 0.700 63.010 62.300 0.018 0.000 1.142 340 V CB -1.315 30.562 31.823 0.089 0.000 0.754 340 V HN 2.165 nan 8.190 nan 0.000 0.484 341 G N -0.462 108.265 108.800 -0.122 0.000 2.674 341 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.686 341 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.686 341 G C -0.801 173.984 174.900 -0.191 0.000 1.195 341 G CA -0.569 44.424 45.100 -0.177 0.000 0.776 341 G HN 0.322 nan 8.290 nan 0.000 0.654 342 F N 1.210 121.175 119.950 0.025 0.000 2.490 342 F HA 0.539 5.066 4.527 -0.000 0.000 0.336 342 F C 1.523 177.335 175.800 0.020 0.000 1.178 342 F CA 0.703 58.711 58.000 0.014 0.000 1.301 342 F CB 0.419 39.429 39.000 0.017 0.000 1.175 342 F HN 0.942 nan 8.300 nan 0.000 0.593 343 A N 1.142 124.111 122.820 0.249 0.000 2.429 343 A HA 0.099 4.419 4.320 -0.000 0.000 0.242 343 A C 0.322 177.977 177.584 0.119 0.000 1.088 343 A CA -0.541 51.582 52.037 0.144 0.000 0.784 343 A CB -0.227 18.843 19.000 0.116 0.000 1.038 343 A HN 0.795 nan 8.150 nan 0.000 0.501 344 E N -0.130 120.115 120.200 0.076 0.000 2.652 344 E HA 0.244 4.594 4.350 -0.000 0.000 0.255 344 E C 1.240 177.852 176.600 0.020 0.000 0.952 344 E CA 1.133 57.561 56.400 0.047 0.000 0.947 344 E CB -0.174 29.545 29.700 0.033 0.000 0.912 344 E HN 1.532 nan 8.360 nan 0.000 0.489 345 G N 2.713 111.515 108.800 0.003 0.000 2.179 345 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 345 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 345 G C -0.004 174.839 174.900 -0.095 0.000 0.977 345 G CA 0.181 45.253 45.100 -0.046 0.000 0.641 345 G HN 0.505 nan 8.290 nan 0.000 0.533 346 V N 1.992 121.879 119.914 -0.046 0.000 2.398 346 V HA 0.705 4.825 4.120 -0.000 0.000 0.286 346 V C 0.899 176.887 176.094 -0.176 0.000 1.026 346 V CA 0.085 62.329 62.300 -0.093 0.000 0.868 346 V CB 1.518 33.351 31.823 0.016 0.000 0.982 346 V HN 0.689 nan 8.190 nan 0.000 0.443 347 T N 1.780 116.186 114.554 -0.247 0.000 2.927 347 T HA 0.399 4.749 4.350 -0.000 0.000 0.281 347 T C 1.161 175.445 174.700 -0.693 0.000 0.998 347 T CA -0.494 61.408 62.100 -0.331 0.000 1.019 347 T CB 1.311 70.085 68.868 -0.156 0.000 1.061 347 T HN 0.559 nan 8.240 nan 0.000 0.518 348 M N 1.100 120.309 119.600 -0.653 0.000 2.080 348 M HA -0.003 4.477 4.480 -0.000 0.000 0.260 348 M C 2.218 178.345 176.300 -0.289 0.000 1.068 348 M CA 2.510 57.476 55.300 -0.555 0.000 1.109 348 M CB -1.084 31.482 32.600 -0.057 0.000 1.342 348 M HN 0.921 nan 8.290 nan 0.000 0.405 349 G N -1.469 107.230 108.800 -0.168 0.000 2.422 349 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.218 349 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.218 349 G C 1.181 176.028 174.900 -0.088 0.000 1.146 349 G CA 1.499 46.543 45.100 -0.093 0.000 0.769 349 G HN 0.676 nan 8.290 nan 0.000 0.547 350 H N -0.268 118.685 119.070 -0.194 0.000 2.363 350 H HA -0.003 4.553 4.556 -0.000 0.000 0.301 350 H C 2.566 177.799 175.328 -0.158 0.000 1.074 350 H CA 1.868 57.821 56.048 -0.159 0.000 1.354 350 H CB -0.072 29.592 29.762 -0.164 0.000 1.397 350 H HN 0.317 nan 8.280 nan 0.000 0.516 351 Q N 0.492 120.130 119.800 -0.269 0.000 2.096 351 Q HA -0.092 4.248 4.340 -0.000 0.000 0.204 351 Q C 2.318 178.232 176.000 -0.143 0.000 0.982 351 Q CA 1.755 57.421 55.803 -0.228 0.000 0.850 351 Q CB -0.434 28.158 28.738 -0.243 0.000 0.901 351 Q HN 0.615 nan 8.270 nan 0.000 0.422 352 L N -0.481 120.671 121.223 -0.118 0.000 2.083 352 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 352 L C 2.169 179.000 176.870 -0.064 0.000 1.083 352 L CA 0.697 55.507 54.840 -0.052 0.000 0.752 352 L CB -0.566 41.472 42.059 -0.034 0.000 0.899 352 L HN 0.312 nan 8.230 nan 0.000 0.433 353 L N -0.531 120.620 121.223 -0.121 0.000 2.017 353 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 353 L C 2.407 179.206 176.870 -0.118 0.000 1.073 353 L CA 1.686 56.456 54.840 -0.116 0.000 0.745 353 L CB -0.503 41.462 42.059 -0.156 0.000 0.894 353 L HN -0.067 nan 8.230 nan 0.000 0.432 354 V N -0.216 119.575 119.914 -0.205 0.000 2.332 354 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 354 V C 2.719 178.800 176.094 -0.022 0.000 1.055 354 V CA 1.730 63.957 62.300 -0.120 0.000 1.038 354 V CB -0.708 31.022 31.823 -0.154 0.000 0.651 354 V HN 0.526 nan 8.190 nan 0.000 0.450 355 Q N -0.327 119.466 119.800 -0.011 0.000 2.050 355 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 355 Q C 2.284 178.313 176.000 0.050 0.000 0.980 355 Q CA 1.657 57.485 55.803 0.041 0.000 0.840 355 Q CB -0.600 28.176 28.738 0.063 0.000 0.898 355 Q HN 0.548 nan 8.270 nan 0.000 0.424 356 L N 0.618 121.862 121.223 0.035 0.000 2.083 356 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 356 L C 2.292 179.197 176.870 0.058 0.000 1.083 356 L CA 1.194 56.065 54.840 0.050 0.000 0.752 356 L CB -0.312 41.769 42.059 0.036 0.000 0.899 356 L HN 0.250 nan 8.230 nan 0.000 0.433 357 E N -0.549 119.678 120.200 0.046 0.000 2.106 357 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 357 E C 2.313 178.956 176.600 0.072 0.000 0.984 357 E CA 1.306 57.745 56.400 0.065 0.000 0.806 357 E CB -0.002 29.739 29.700 0.068 0.000 0.750 357 E HN 0.362 nan 8.360 nan 0.000 0.458 358 S N 0.981 116.715 115.700 0.056 0.000 2.368 358 S HA -0.149 4.321 4.470 -0.000 0.000 0.225 358 S C 2.051 176.687 174.600 0.060 0.000 1.030 358 S CA 0.859 59.081 58.200 0.037 0.000 0.999 358 S CB -0.197 63.017 63.200 0.023 0.000 0.844 358 S HN 0.192 nan 8.310 nan 0.000 0.459 359 I N 1.712 122.333 120.570 0.085 0.000 2.208 359 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 359 I C 2.699 178.895 176.117 0.131 0.000 1.097 359 I CA 1.189 62.558 61.300 0.115 0.000 1.363 359 I CB -0.472 37.602 38.000 0.123 0.000 1.051 359 I HN 0.281 nan 8.210 nan 0.000 0.413 360 A N 0.849 123.741 122.820 0.119 0.000 1.877 360 A HA -0.165 4.154 4.320 -0.000 0.000 0.216 360 A C 2.304 179.977 177.584 0.148 0.000 1.186 360 A CA 1.471 53.586 52.037 0.129 0.000 0.620 360 A CB -0.807 18.258 19.000 0.108 0.000 0.822 360 A HN 0.365 nan 8.150 nan 0.000 0.443 361 I N -0.366 120.289 120.570 0.140 0.000 2.179 361 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 361 I C 2.615 178.859 176.117 0.211 0.000 1.088 361 I CA 1.783 63.190 61.300 0.179 0.000 1.357 361 I CB -0.609 37.477 38.000 0.143 0.000 1.051 361 I HN 0.278 nan 8.210 nan 0.000 0.409 362 T N 1.212 115.852 114.554 0.143 0.000 2.684 362 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 362 T C 1.916 176.764 174.700 0.247 0.000 1.036 362 T CA 1.508 63.696 62.100 0.148 0.000 1.148 362 T CB -0.327 68.599 68.868 0.098 0.000 0.863 362 T HN 0.239 nan 8.240 nan 0.000 0.436 363 I N 0.736 121.450 120.570 0.239 0.000 2.163 363 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 363 I C 2.476 178.749 176.117 0.261 0.000 1.085 363 I CA 1.083 62.542 61.300 0.265 0.000 1.347 363 I CB -0.421 37.723 38.000 0.239 0.000 1.044 363 I HN 0.106 nan 8.210 nan 0.000 0.408 364 V N -0.034 120.018 119.914 0.230 0.000 2.379 364 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 364 V C 2.082 178.312 176.094 0.226 0.000 1.044 364 V CA 1.552 63.965 62.300 0.189 0.000 1.036 364 V CB -0.699 31.209 31.823 0.141 0.000 0.664 364 V HN 0.604 nan 8.190 nan 0.000 0.453 365 W N 0.834 122.189 121.300 0.091 0.000 2.354 365 W HA -0.214 4.446 4.660 -0.000 0.000 0.315 365 W C 2.885 179.472 176.519 0.113 0.000 1.206 365 W CA 2.355 59.742 57.345 0.069 0.000 1.290 365 W CB -0.664 28.820 29.460 0.039 0.000 1.152 365 W HN 0.357 nan 8.180 nan 0.000 0.489 366 S N 0.194 116.209 115.700 0.525 0.000 2.368 366 S HA -0.094 4.376 4.470 -0.000 0.000 0.225 366 S C 2.075 176.991 174.600 0.527 0.000 1.030 366 S CA 2.062 60.596 58.200 0.557 0.000 0.999 366 S CB -0.905 62.651 63.200 0.594 0.000 0.844 366 S HN 0.289 nan 8.310 nan 0.000 0.459 367 G N 0.781 109.817 108.800 0.393 0.000 2.421 367 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.216 367 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.216 367 G C 1.495 176.582 174.900 0.311 0.000 1.171 367 G CA 1.097 46.399 45.100 0.337 0.000 0.775 367 G HN 0.465 nan 8.290 nan 0.000 0.543 368 V N 0.452 120.486 119.914 0.200 0.000 2.295 368 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 368 V C 3.048 179.259 176.094 0.196 0.000 1.049 368 V CA 1.531 63.908 62.300 0.129 0.000 1.024 368 V CB -0.426 31.372 31.823 -0.042 0.000 0.648 368 V HN 0.240 nan 8.190 nan 0.000 0.447 369 V N 0.302 120.309 119.914 0.155 0.000 2.343 369 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 369 V C 2.711 179.014 176.094 0.348 0.000 1.051 369 V CA 2.053 64.454 62.300 0.168 0.000 1.036 369 V CB -1.187 30.689 31.823 0.087 0.000 0.654 369 V HN 0.561 nan 8.190 nan 0.000 0.451 370 A N -0.329 122.831 122.820 0.567 0.000 1.883 370 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 370 A C 2.130 180.035 177.584 0.535 0.000 1.186 370 A CA 2.163 54.592 52.037 0.654 0.000 0.624 370 A CB -0.829 18.573 19.000 0.671 0.000 0.822 370 A HN 0.524 nan 8.150 nan 0.000 0.444 371 F N 0.718 120.892 119.950 0.375 0.000 2.091 371 F HA -0.245 4.282 4.527 -0.000 0.000 0.299 371 F C 1.987 177.928 175.800 0.235 0.000 1.103 371 F CA 2.071 60.253 58.000 0.303 0.000 1.228 371 F CB -0.256 38.852 39.000 0.180 0.000 0.984 371 F HN 0.210 nan 8.300 nan 0.000 0.477 372 I N -0.008 120.710 120.570 0.247 0.000 2.226 372 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 372 I C 2.764 178.900 176.117 0.032 0.000 1.100 372 I CA 1.446 62.803 61.300 0.095 0.000 1.374 372 I CB -1.325 36.742 38.000 0.110 0.000 1.057 372 I HN 0.319 nan 8.210 nan 0.000 0.413 373 G N -0.053 108.793 108.800 0.077 0.000 2.421 373 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 373 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 373 G C 1.453 176.437 174.900 0.140 0.000 1.171 373 G CA 0.622 45.752 45.100 0.050 0.000 0.775 373 G HN 0.256 nan 8.290 nan 0.000 0.543 374 Y N 1.109 121.556 120.300 0.246 0.000 2.242 374 Y HA 0.015 4.565 4.550 -0.000 0.000 0.291 374 Y C 2.821 178.663 175.900 -0.096 0.000 1.137 374 Y CA 1.079 59.204 58.100 0.041 0.000 1.181 374 Y CB 0.013 38.417 38.460 -0.093 0.000 0.989 374 Y HN 0.013 nan 8.280 nan 0.000 0.527 375 K N -0.150 120.206 120.400 -0.073 0.000 2.057 375 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 375 K C 2.136 178.704 176.600 -0.054 0.000 1.050 375 K CA 0.804 56.994 56.287 -0.161 0.000 0.935 375 K CB -0.915 31.384 32.500 -0.336 0.000 0.715 375 K HN 0.283 nan 8.250 nan 0.000 0.439 376 L N 1.274 122.483 121.223 -0.022 0.000 2.042 376 L HA -0.135 4.204 4.340 -0.000 0.000 0.210 376 L C 2.192 179.071 176.870 0.016 0.000 1.076 376 L CA 2.000 56.839 54.840 -0.002 0.000 0.749 376 L CB -0.785 41.274 42.059 -0.000 0.000 0.893 376 L HN 0.146 nan 8.230 nan 0.000 0.432 377 A N -1.030 121.818 122.820 0.047 0.000 1.902 377 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 377 A C 2.122 179.726 177.584 0.033 0.000 1.181 377 A CA 1.851 53.922 52.037 0.056 0.000 0.623 377 A CB -0.953 18.113 19.000 0.111 0.000 0.818 377 A HN 0.538 nan 8.150 nan 0.000 0.443 378 D N -0.243 120.172 120.400 0.024 0.000 2.144 378 D HA -0.076 4.564 4.640 -0.000 0.000 0.199 378 D C 1.777 178.074 176.300 -0.005 0.000 0.984 378 D CA 0.971 54.972 54.000 0.001 0.000 0.834 378 D CB -0.176 40.611 40.800 -0.022 0.000 0.955 378 D HN 0.428 nan 8.370 nan 0.000 0.465 379 L N -0.262 120.956 121.223 -0.007 0.000 2.217 379 L HA -0.033 4.307 4.340 -0.000 0.000 0.211 379 L C 2.382 179.251 176.870 -0.001 0.000 1.107 379 L CA 1.401 56.237 54.840 -0.006 0.000 0.783 379 L CB -0.369 41.685 42.059 -0.008 0.000 0.919 379 L HN 0.179 nan 8.230 nan 0.000 0.442 380 T N -3.631 110.925 114.554 0.003 0.000 2.988 380 T HA -0.003 4.347 4.350 -0.000 0.000 0.240 380 T C 1.408 176.112 174.700 0.007 0.000 1.014 380 T CA 0.967 63.071 62.100 0.005 0.000 1.155 380 T CB -0.175 68.697 68.868 0.007 0.000 0.872 380 T HN 0.151 nan 8.240 nan 0.000 0.440 381 V N -2.282 117.639 119.914 0.010 0.000 3.562 381 V HA 0.685 4.805 4.120 -0.000 0.000 0.270 381 V C 0.965 177.064 176.094 0.009 0.000 1.418 381 V CA 0.070 62.377 62.300 0.012 0.000 1.033 381 V CB -0.533 31.300 31.823 0.017 0.000 0.820 381 V HN 1.035 nan 8.190 nan 0.000 0.441 382 G N 0.583 109.386 108.800 0.006 0.000 3.172 382 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 382 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 382 G C -0.206 174.694 174.900 0.000 0.000 1.009 382 G CA -0.031 45.069 45.100 -0.000 0.000 0.787 382 G HN 0.334 nan 8.290 nan 0.000 0.559 383 L N 0.941 122.159 121.223 -0.009 0.000 2.072 383 L HA 0.131 4.471 4.340 -0.000 0.000 0.205 383 L C 1.990 178.842 176.870 -0.031 0.000 1.079 383 L CA 1.448 56.279 54.840 -0.015 0.000 0.752 383 L CB -0.013 42.020 42.059 -0.044 0.000 0.906 383 L HN 0.644 nan 8.230 nan 0.000 0.436 384 R N 0.126 120.603 120.500 -0.038 0.000 2.514 384 R HA 0.406 4.746 4.340 -0.000 0.000 0.301 384 R C -0.638 175.644 176.300 -0.030 0.000 0.962 384 R CA -0.581 55.492 56.100 -0.045 0.000 0.882 384 R CB 1.609 31.874 30.300 -0.058 0.000 1.143 384 R HN -0.057 nan 8.270 nan 0.000 0.452 385 V N 1.947 121.843 119.914 -0.030 0.000 3.051 385 V HA 0.456 4.576 4.120 -0.000 0.000 0.306 385 V C -2.226 173.853 176.094 -0.024 0.000 1.083 385 V CA -1.673 60.612 62.300 -0.024 0.000 1.104 385 V CB 0.297 32.103 31.823 -0.027 0.000 1.027 385 V HN 0.721 nan 8.190 nan 0.000 0.483 386 P HA 0.097 nan 4.420 nan 0.000 0.268 386 P C 0.791 178.082 177.300 -0.015 0.000 1.208 386 P CA 0.130 63.221 63.100 -0.016 0.000 0.777 386 P CB 0.434 32.126 31.700 -0.013 0.000 0.875 387 E N 1.258 121.452 120.200 -0.010 0.000 2.130 387 E HA -0.307 4.043 4.350 -0.000 0.000 0.196 387 E C 1.346 177.945 176.600 -0.003 0.000 0.998 387 E CA 1.402 57.800 56.400 -0.005 0.000 0.806 387 E CB 0.008 29.709 29.700 0.003 0.000 0.738 387 E HN 0.352 nan 8.360 nan 0.000 0.459 388 E N 0.297 120.494 120.200 -0.004 0.000 2.216 388 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 388 E C 1.930 178.525 176.600 -0.009 0.000 0.988 388 E CA 0.956 57.353 56.400 -0.003 0.000 0.834 388 E CB 0.080 29.779 29.700 -0.003 0.000 0.772 388 E HN 0.359 nan 8.360 nan 0.000 0.479 389 Q N -0.092 119.699 119.800 -0.015 0.000 2.119 389 Q HA -0.187 4.153 4.340 -0.000 0.000 0.201 389 Q C 2.058 178.043 176.000 -0.024 0.000 0.972 389 Q CA 1.443 57.232 55.803 -0.023 0.000 0.847 389 Q CB -0.103 28.617 28.738 -0.029 0.000 0.903 389 Q HN 0.385 nan 8.270 nan 0.000 0.433 390 E N 0.617 120.804 120.200 -0.022 0.000 2.077 390 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 390 E C 2.031 178.621 176.600 -0.015 0.000 0.989 390 E CA 0.647 57.031 56.400 -0.026 0.000 0.800 390 E CB 0.237 29.921 29.700 -0.027 0.000 0.746 390 E HN 0.139 nan 8.360 nan 0.000 0.452 391 R N 0.497 120.997 120.500 -0.000 0.000 2.075 391 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 391 R C 2.100 178.405 176.300 0.007 0.000 1.126 391 R CA 1.361 57.469 56.100 0.013 0.000 0.963 391 R CB -0.339 29.972 30.300 0.018 0.000 0.858 391 R HN 0.372 nan 8.270 nan 0.000 0.435 392 E N -0.344 119.854 120.200 -0.003 0.000 2.152 392 E HA 0.060 4.410 4.350 -0.000 0.000 0.192 392 E C 0.428 177.020 176.600 -0.013 0.000 0.983 392 E CA 0.587 56.983 56.400 -0.006 0.000 0.818 392 E CB 0.152 29.846 29.700 -0.011 0.000 0.758 392 E HN 0.424 nan 8.360 nan 0.000 0.467 393 G N -0.113 108.674 108.800 -0.021 0.000 2.640 393 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.686 393 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.686 393 G C 0.086 174.967 174.900 -0.032 0.000 1.229 393 G CA -0.690 44.392 45.100 -0.029 0.000 0.796 393 G HN 0.075 nan 8.290 nan 0.000 0.654 394 L N 0.576 121.781 121.223 -0.030 0.000 2.201 394 L HA 0.001 4.341 4.340 -0.000 0.000 0.212 394 L C 2.410 179.276 176.870 -0.007 0.000 1.105 394 L CA 1.375 56.199 54.840 -0.027 0.000 0.775 394 L CB -0.361 41.700 42.059 0.002 0.000 0.913 394 L HN 0.594 nan 8.230 nan 0.000 0.440 395 D N 0.277 120.686 120.400 0.015 0.000 2.084 395 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 395 D C 2.306 178.610 176.300 0.007 0.000 0.990 395 D CA 1.817 55.844 54.000 0.044 0.000 0.826 395 D CB -0.389 40.396 40.800 -0.026 0.000 0.971 395 D HN 0.297 nan 8.370 nan 0.000 0.453 396 V N -0.440 119.460 119.914 -0.024 0.000 2.358 396 V HA -0.127 3.993 4.120 -0.000 0.000 0.246 396 V C 1.870 177.933 176.094 -0.052 0.000 1.047 396 V CA 1.488 63.769 62.300 -0.032 0.000 1.035 396 V CB -0.565 31.241 31.823 -0.027 0.000 0.658 396 V HN 0.035 nan 8.190 nan 0.000 0.452 397 N N 0.947 119.608 118.700 -0.066 0.000 2.173 397 N HA -0.044 4.696 4.740 -0.000 0.000 0.184 397 N C 2.050 177.472 175.510 -0.147 0.000 1.025 397 N CA 1.877 54.877 53.050 -0.083 0.000 0.852 397 N CB -0.110 38.338 38.487 -0.065 0.000 0.998 397 N HN 0.548 nan 8.380 nan 0.000 0.427 398 S N -0.475 115.073 115.700 -0.253 0.000 2.478 398 S HA 0.065 4.534 4.470 -0.000 0.000 0.222 398 S C 0.951 175.113 174.600 -0.730 0.000 1.008 398 S CA 0.439 58.335 58.200 -0.507 0.000 0.928 398 S CB 0.201 62.988 63.200 -0.687 0.000 0.781 398 S HN 0.416 nan 8.310 nan 0.000 0.518 399 H N -0.604 118.382 119.070 -0.140 0.000 3.440 399 H HA 0.301 4.857 4.556 -0.000 0.000 0.259 399 H C 1.538 176.796 175.328 -0.117 0.000 1.120 399 H CA 0.536 56.481 56.048 -0.172 0.000 1.191 399 H CB 0.319 29.957 29.762 -0.205 0.000 1.537 399 H HN 0.425 nan 8.280 nan 0.000 0.547 400 G N 1.751 110.540 108.800 -0.018 0.000 2.198 400 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 400 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 400 G C -0.144 174.746 174.900 -0.017 0.000 1.025 400 G CA 0.570 45.657 45.100 -0.021 0.000 0.769 400 G HN 0.462 nan 8.290 nan 0.000 0.507 401 E N -1.064 119.127 120.200 -0.015 0.000 2.383 401 E HA 0.463 4.813 4.350 -0.000 0.000 0.275 401 E C -0.848 175.722 176.600 -0.050 0.000 0.918 401 E CA -1.050 55.328 56.400 -0.036 0.000 0.764 401 E CB 1.468 31.137 29.700 -0.050 0.000 1.252 401 E HN 0.117 nan 8.360 nan 0.000 0.449 402 N N 0.003 118.666 118.700 -0.062 0.000 2.362 402 N HA 0.385 5.125 4.740 -0.000 0.000 0.298 402 N C 0.092 175.515 175.510 -0.145 0.000 1.048 402 N CA -0.016 52.987 53.050 -0.079 0.000 0.858 402 N CB 1.673 40.137 38.487 -0.038 0.000 1.218 402 N HN 0.537 nan 8.380 nan 0.000 0.488 403 A N 2.551 125.212 122.820 -0.267 0.000 1.898 403 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 403 A C -0.323 176.936 177.584 -0.542 0.000 1.181 403 A CA 1.340 53.047 52.037 -0.550 0.000 0.620 403 A CB -0.418 17.972 19.000 -1.017 0.000 0.819 403 A HN 0.677 nan 8.150 nan 0.000 0.442 404 Y N 0.177 120.476 120.300 -0.003 0.000 2.326 404 Y HA 0.462 5.012 4.550 -0.000 0.000 0.329 404 Y C -0.702 175.200 175.900 0.003 0.000 0.973 404 Y CA -1.613 56.491 58.100 0.008 0.000 1.162 404 Y CB 1.083 39.554 38.460 0.020 0.000 1.147 404 Y HN 0.130 nan 8.280 nan 0.000 0.456 405 N N 2.423 121.200 118.700 0.130 0.000 2.442 405 N HA 0.646 5.386 4.740 -0.000 0.000 0.274 405 N C -0.580 174.967 175.510 0.062 0.000 1.002 405 N CA -0.369 52.723 53.050 0.070 0.000 0.910 405 N CB 2.222 40.730 38.487 0.034 0.000 1.244 405 N HN 0.730 nan 8.380 nan 0.000 0.492 406 A N 0.000 122.851 122.820 0.051 0.000 2.254 406 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 406 A CA 0.000 52.060 52.037 0.038 0.000 0.836 406 A CB 0.000 19.019 19.000 0.032 0.000 0.831 406 A HN 0.000 nan 8.150 nan 0.000 0.486