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 3mfm_1_B DATA FIRST_RESID 10 DATA SEQUENCE DIHTTAGKLA DLRRRIEEAT HAGSARAVEK QHAKGKLTAR ERIDLLLDEG DATA SEQUENCE SFVELDEFAR HRSTNFGLDA NRPYGDGVVT GYGTVDGRPV AVFSQDFTVF DATA SEQUENCE GGALGEVYGQ KIVKVMDFAL KTGCPVVGIN DSGGARIQEG VASLGAYGEI DATA SEQUENCE FRRNTHASGV IPQISLVVGP CAGGAVYSPA ITDFTVMVDQ TSHMFITGPD DATA SEQUENCE VIKTVTGEDV GFEELGGART HNSTSGVAHH MAGDEKDAVE YVKQLLSYLP DATA SEQUENCE SNNLSEPPAF PEEADLAVTD EDAELDTIVP DSANQPYDMH SVIEHVLDDA DATA SEQUENCE EFFETQPLFA PNILTGFGRV EGRPVGIVAN QPMQFAGCLD ITASEKAARF DATA SEQUENCE VRTCDAFNVP VLTFVDVPGF LPGVDQEHDG IIRRGAKLIF AYAEATVPLI DATA SEQUENCE TVITRKAFGG AYNVMGSKHL GADLNLAWPT AQIAVMGAQG AVNILHRRTI DATA SEQUENCE ADAGDDAEAT RARLIQEYED ALLNPYTAAE RGYVDAVIMP SDTRRHIVRG DATA SEQUENCE LRQLRTKRES LPPKKHGNIP L 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.304 176.300 0.007 0.000 2.045 10 D CA 0.000 54.017 54.000 0.028 0.000 0.868 10 D CB 0.000 40.825 40.800 0.042 0.000 0.688 11 I N 3.085 123.639 120.570 -0.027 0.000 2.439 11 I HA -0.018 4.152 4.170 -0.000 0.000 0.251 11 I C 1.470 177.492 176.117 -0.159 0.000 1.139 11 I CA 1.353 62.577 61.300 -0.127 0.000 1.438 11 I CB -0.216 37.651 38.000 -0.222 0.000 1.085 11 I HN 0.481 nan 8.210 nan 0.000 0.427 12 H N -0.307 118.759 119.070 -0.006 0.000 2.556 12 H HA 0.137 4.693 4.556 -0.000 0.000 0.273 12 H C 0.055 175.381 175.328 -0.004 0.000 1.030 12 H CA 0.515 56.560 56.048 -0.005 0.000 1.156 12 H CB -0.532 29.228 29.762 -0.004 0.000 1.326 12 H HN 0.275 nan 8.280 nan 0.000 0.609 13 T N -2.940 111.654 114.554 0.066 0.000 2.924 13 T HA 0.147 4.497 4.350 -0.000 0.000 0.291 13 T C 1.563 176.272 174.700 0.014 0.000 1.045 13 T CA -0.359 61.766 62.100 0.042 0.000 1.015 13 T CB 1.821 70.711 68.868 0.036 0.000 1.103 13 T HN 0.240 nan 8.240 nan 0.000 0.496 14 T N -0.616 113.946 114.554 0.013 0.000 2.821 14 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 14 T C 2.202 176.903 174.700 0.000 0.000 1.046 14 T CA 1.054 63.157 62.100 0.004 0.000 1.139 14 T CB -0.728 68.144 68.868 0.006 0.000 0.871 14 T HN 0.710 nan 8.240 nan 0.000 0.454 15 A N 1.715 124.537 122.820 0.004 0.000 1.855 15 A HA 0.284 4.604 4.320 -0.000 0.000 0.215 15 A C 2.758 180.340 177.584 -0.003 0.000 1.191 15 A CA 1.551 53.589 52.037 0.001 0.000 0.613 15 A CB -1.581 17.422 19.000 0.005 0.000 0.829 15 A HN 0.643 nan 8.150 nan 0.000 0.442 16 G N -1.026 107.772 108.800 -0.003 0.000 2.559 16 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 16 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 16 G C 1.571 176.455 174.900 -0.026 0.000 1.126 16 G CA 1.250 46.343 45.100 -0.011 0.000 0.778 16 G HN 0.377 nan 8.290 nan 0.000 0.543 17 K N 0.430 120.815 120.400 -0.025 0.000 2.098 17 K HA 0.217 4.537 4.320 -0.000 0.000 0.203 17 K C 2.542 179.125 176.600 -0.029 0.000 1.051 17 K CA 0.325 56.591 56.287 -0.035 0.000 0.957 17 K CB -0.628 31.854 32.500 -0.030 0.000 0.738 17 K HN 0.315 nan 8.250 nan 0.000 0.447 18 L N 0.162 121.375 121.223 -0.017 0.000 1.971 18 L HA -0.224 4.116 4.340 -0.000 0.000 0.215 18 L C 2.394 179.255 176.870 -0.015 0.000 1.072 18 L CA 1.849 56.681 54.840 -0.012 0.000 0.758 18 L CB -0.937 41.119 42.059 -0.005 0.000 0.889 18 L HN 0.138 nan 8.230 nan 0.000 0.433 19 A N 0.043 122.855 122.820 -0.014 0.000 1.940 19 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 19 A C 1.934 179.504 177.584 -0.025 0.000 1.176 19 A CA 2.141 54.169 52.037 -0.013 0.000 0.631 19 A CB -0.783 18.212 19.000 -0.009 0.000 0.814 19 A HN 0.520 nan 8.150 nan 0.000 0.446 20 D N -0.662 119.716 120.400 -0.037 0.000 2.133 20 D HA -0.198 4.442 4.640 -0.000 0.000 0.195 20 D C 1.720 177.972 176.300 -0.079 0.000 0.997 20 D CA 1.542 55.508 54.000 -0.058 0.000 0.840 20 D CB -0.181 40.578 40.800 -0.070 0.000 0.947 20 D HN 0.262 nan 8.370 nan 0.000 0.452 21 L N 0.781 121.964 121.223 -0.066 0.000 2.046 21 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 21 L C 2.206 179.056 176.870 -0.033 0.000 1.077 21 L CA 1.635 56.437 54.840 -0.064 0.000 0.747 21 L CB -0.520 41.533 42.059 -0.011 0.000 0.896 21 L HN 0.016 nan 8.230 nan 0.000 0.432 22 R N -1.002 119.489 120.500 -0.015 0.000 2.091 22 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 22 R C 2.406 178.707 176.300 0.003 0.000 1.136 22 R CA 1.313 57.414 56.100 0.003 0.000 0.959 22 R CB -0.611 29.691 30.300 0.004 0.000 0.856 22 R HN 0.324 nan 8.270 nan 0.000 0.437 23 R N 1.308 121.799 120.500 -0.015 0.000 2.073 23 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 23 R C 2.132 178.417 176.300 -0.024 0.000 1.134 23 R CA 1.463 57.558 56.100 -0.008 0.000 0.952 23 R CB -0.108 30.182 30.300 -0.017 0.000 0.850 23 R HN 0.205 nan 8.270 nan 0.000 0.433 24 R N 0.122 120.552 120.500 -0.116 0.000 2.081 24 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 24 R C 2.385 178.617 176.300 -0.114 0.000 1.131 24 R CA 1.213 57.135 56.100 -0.298 0.000 0.960 24 R CB -0.663 29.236 30.300 -0.668 0.000 0.856 24 R HN 0.226 nan 8.270 nan 0.000 0.436 25 I N 1.547 122.135 120.570 0.031 0.000 2.163 25 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 25 I C 2.380 178.531 176.117 0.057 0.000 1.081 25 I CA 1.428 62.780 61.300 0.087 0.000 1.353 25 I CB -0.357 37.677 38.000 0.057 0.000 1.054 25 I HN 0.023 nan 8.210 nan 0.000 0.407 26 E N 0.369 120.618 120.200 0.082 0.000 2.085 26 E HA -0.293 4.057 4.350 -0.000 0.000 0.194 26 E C 2.064 178.822 176.600 0.264 0.000 0.994 26 E CA 1.475 57.983 56.400 0.180 0.000 0.801 26 E CB -0.602 29.197 29.700 0.164 0.000 0.743 26 E HN 0.640 nan 8.360 nan 0.000 0.453 27 E N 0.795 121.105 120.200 0.183 0.000 2.047 27 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 27 E C 2.051 178.796 176.600 0.242 0.000 0.987 27 E CA 1.020 57.559 56.400 0.231 0.000 0.799 27 E CB -0.064 29.788 29.700 0.254 0.000 0.752 27 E HN 0.161 nan 8.360 nan 0.000 0.449 28 A N 0.752 123.687 122.820 0.192 0.000 1.892 28 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 28 A C 2.478 180.094 177.584 0.053 0.000 1.188 28 A CA 2.632 54.780 52.037 0.184 0.000 0.631 28 A CB -1.432 17.642 19.000 0.122 0.000 0.822 28 A HN 0.554 nan 8.150 nan 0.000 0.447 29 T N -3.492 111.013 114.554 -0.081 0.000 3.051 29 T HA -0.073 4.277 4.350 -0.000 0.000 0.269 29 T C 0.559 174.977 174.700 -0.470 0.000 1.127 29 T CA 1.144 63.065 62.100 -0.299 0.000 1.107 29 T CB -0.447 68.162 68.868 -0.432 0.000 0.898 29 T HN 0.567 nan 8.240 nan 0.000 0.517 30 H N 0.352 119.462 119.070 0.067 0.000 2.423 30 H HA 0.689 5.245 4.556 -0.000 0.000 0.237 30 H C 1.254 176.614 175.328 0.052 0.000 1.391 30 H CA -0.266 55.812 56.048 0.051 0.000 1.453 30 H CB 0.700 30.489 29.762 0.045 0.000 1.484 30 H HN 0.316 nan 8.280 nan 0.000 0.505 31 A N 2.371 125.252 122.820 0.102 0.000 1.841 31 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 31 A C 1.635 179.231 177.584 0.020 0.000 1.199 31 A CA 1.601 53.678 52.037 0.066 0.000 0.621 31 A CB -0.551 18.470 19.000 0.036 0.000 0.835 31 A HN 0.605 nan 8.150 nan 0.000 0.445 32 G N -1.557 107.242 108.800 -0.002 0.000 2.857 32 G HA2 0.461 4.421 3.960 -0.000 0.000 0.217 32 G HA3 0.461 4.421 3.960 -0.000 0.000 0.217 32 G C 0.182 175.079 174.900 -0.006 0.000 1.357 32 G CA 0.420 45.493 45.100 -0.045 0.000 1.033 32 G HN 0.904 nan 8.290 nan 0.000 0.571 33 S N -0.993 114.693 115.700 -0.023 0.000 2.617 33 S HA 0.482 4.952 4.470 -0.000 0.000 0.269 33 S C 1.360 175.967 174.600 0.011 0.000 1.292 33 S CA 0.225 58.421 58.200 -0.007 0.000 1.010 33 S CB 1.570 64.760 63.200 -0.016 0.000 0.944 33 S HN 1.188 nan 8.310 nan 0.000 0.536 34 A N 1.065 123.892 122.820 0.013 0.000 2.067 34 A HA -0.002 4.318 4.320 -0.000 0.000 0.219 34 A C 2.271 179.874 177.584 0.031 0.000 1.158 34 A CA 0.754 52.806 52.037 0.025 0.000 0.661 34 A CB -0.530 18.478 19.000 0.014 0.000 0.801 34 A HN 0.856 nan 8.150 nan 0.000 0.452 35 R N -0.786 119.727 120.500 0.022 0.000 2.115 35 R HA 0.006 4.346 4.340 -0.000 0.000 0.226 35 R C 2.406 178.725 176.300 0.031 0.000 1.100 35 R CA 0.952 57.068 56.100 0.027 0.000 0.980 35 R CB -0.260 30.053 30.300 0.021 0.000 0.875 35 R HN 0.514 nan 8.270 nan 0.000 0.445 36 A N 0.421 123.255 122.820 0.023 0.000 1.898 36 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 36 A C 2.223 179.823 177.584 0.027 0.000 1.181 36 A CA 1.157 53.216 52.037 0.036 0.000 0.620 36 A CB -0.443 18.565 19.000 0.013 0.000 0.819 36 A HN 0.117 nan 8.150 nan 0.000 0.442 37 V N 0.061 119.976 119.914 0.002 0.000 2.407 37 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 37 V C 2.520 178.544 176.094 -0.117 0.000 1.055 37 V CA 2.289 64.546 62.300 -0.072 0.000 1.049 37 V CB -0.570 31.254 31.823 0.002 0.000 0.662 37 V HN 0.738 nan 8.190 nan 0.000 0.455 38 E N -0.176 120.043 120.200 0.032 0.000 2.107 38 E HA -0.239 4.111 4.350 -0.000 0.000 0.191 38 E C 2.242 178.878 176.600 0.059 0.000 0.982 38 E CA 0.872 57.331 56.400 0.098 0.000 0.809 38 E CB 0.066 29.823 29.700 0.094 0.000 0.756 38 E HN 0.330 nan 8.360 nan 0.000 0.459 39 K N 0.822 121.246 120.400 0.041 0.000 2.052 39 K HA -0.209 4.111 4.320 -0.000 0.000 0.215 39 K C 2.179 178.787 176.600 0.014 0.000 1.053 39 K CA 1.444 57.759 56.287 0.045 0.000 0.934 39 K CB -0.399 32.152 32.500 0.085 0.000 0.717 39 K HN 0.101 nan 8.250 nan 0.000 0.450 40 Q N -0.240 119.539 119.800 -0.035 0.000 1.967 40 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 40 Q C 2.179 178.131 176.000 -0.080 0.000 0.985 40 Q CA 1.620 57.361 55.803 -0.103 0.000 0.839 40 Q CB -0.512 28.118 28.738 -0.179 0.000 0.906 40 Q HN 0.529 nan 8.270 nan 0.000 0.423 41 H N 0.188 119.269 119.070 0.017 0.000 2.321 41 H HA -0.129 4.427 4.556 -0.000 0.000 0.295 41 H C 1.806 177.136 175.328 0.003 0.000 1.102 41 H CA 1.489 57.542 56.048 0.009 0.000 1.266 41 H CB -0.563 29.207 29.762 0.014 0.000 1.363 41 H HN 0.345 nan 8.280 nan 0.000 0.492 42 A N 1.198 124.093 122.820 0.125 0.000 2.245 42 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 42 A C 2.020 179.628 177.584 0.039 0.000 1.171 42 A CA 1.638 53.717 52.037 0.071 0.000 0.688 42 A CB -0.302 18.731 19.000 0.055 0.000 0.781 42 A HN 0.502 nan 8.150 nan 0.000 0.479 43 K N -2.317 118.098 120.400 0.026 0.000 2.367 43 K HA 0.333 4.653 4.320 -0.000 0.000 0.195 43 K C 0.866 177.468 176.600 0.004 0.000 1.060 43 K CA 0.477 56.764 56.287 0.001 0.000 1.022 43 K CB 0.396 32.875 32.500 -0.035 0.000 0.894 43 K HN 0.691 nan 8.250 nan 0.000 0.540 44 G N 2.447 111.263 108.800 0.026 0.000 2.207 44 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 44 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 44 G C -0.676 174.234 174.900 0.016 0.000 1.053 44 G CA -0.320 44.795 45.100 0.025 0.000 0.764 44 G HN 0.181 nan 8.290 nan 0.000 0.495 45 K N -0.216 120.197 120.400 0.022 0.000 2.371 45 K HA 0.707 5.027 4.320 -0.000 0.000 0.251 45 K C 0.206 176.830 176.600 0.041 0.000 0.934 45 K CA -1.176 55.110 56.287 -0.001 0.000 0.798 45 K CB 1.805 34.268 32.500 -0.062 0.000 1.204 45 K HN 0.008 nan 8.250 nan 0.000 0.427 46 L N 1.050 122.296 121.223 0.039 0.000 2.456 46 L HA 0.292 4.632 4.340 -0.000 0.000 0.257 46 L C 1.222 178.085 176.870 -0.011 0.000 1.162 46 L CA -0.061 54.822 54.840 0.071 0.000 0.808 46 L CB 0.438 42.532 42.059 0.059 0.000 1.136 46 L HN 0.735 nan 8.230 nan 0.000 0.466 47 T N -0.081 114.463 114.554 -0.015 0.000 2.856 47 T HA 0.256 4.606 4.350 -0.000 0.000 0.306 47 T C 1.408 176.101 174.700 -0.013 0.000 1.062 47 T CA 0.215 62.296 62.100 -0.032 0.000 1.083 47 T CB 0.741 69.601 68.868 -0.013 0.000 0.984 47 T HN 0.668 nan 8.240 nan 0.000 0.542 48 A N 3.864 126.680 122.820 -0.007 0.000 1.948 48 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 48 A C 2.487 180.027 177.584 -0.074 0.000 1.177 48 A CA 1.583 53.607 52.037 -0.022 0.000 0.636 48 A CB -0.519 18.482 19.000 0.003 0.000 0.815 48 A HN 0.926 nan 8.150 nan 0.000 0.449 49 R N -0.803 119.652 120.500 -0.075 0.000 2.193 49 R HA -0.027 4.313 4.340 -0.000 0.000 0.213 49 R C 1.733 177.962 176.300 -0.119 0.000 1.055 49 R CA 1.153 57.176 56.100 -0.128 0.000 0.995 49 R CB -0.115 30.126 30.300 -0.098 0.000 0.893 49 R HN 0.678 nan 8.270 nan 0.000 0.459 50 E N 0.115 120.282 120.200 -0.056 0.000 2.230 50 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 50 E C 1.848 178.413 176.600 -0.057 0.000 0.987 50 E CA 0.449 56.829 56.400 -0.034 0.000 0.841 50 E CB 0.217 29.936 29.700 0.033 0.000 0.783 50 E HN 0.198 nan 8.360 nan 0.000 0.481 51 R N 0.388 120.849 120.500 -0.066 0.000 2.092 51 R HA -0.049 4.291 4.340 -0.000 0.000 0.231 51 R C 2.211 178.437 176.300 -0.124 0.000 1.119 51 R CA 0.972 57.028 56.100 -0.073 0.000 0.970 51 R CB -0.134 30.131 30.300 -0.060 0.000 0.864 51 R HN 0.172 nan 8.270 nan 0.000 0.440 52 I N 0.456 120.904 120.570 -0.203 0.000 2.252 52 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 52 I C 2.033 177.989 176.117 -0.268 0.000 1.102 52 I CA 1.260 62.366 61.300 -0.322 0.000 1.385 52 I CB -0.258 37.364 38.000 -0.630 0.000 1.064 52 I HN 0.154 nan 8.210 nan 0.000 0.414 53 D N 1.065 121.339 120.400 -0.210 0.000 2.078 53 D HA -0.224 4.416 4.640 -0.000 0.000 0.193 53 D C 2.079 178.331 176.300 -0.079 0.000 0.990 53 D CA 1.325 55.251 54.000 -0.124 0.000 0.827 53 D CB -0.105 40.645 40.800 -0.083 0.000 0.975 53 D HN 0.065 nan 8.370 nan 0.000 0.451 54 L N 0.211 121.395 121.223 -0.065 0.000 1.997 54 L HA -0.160 4.180 4.340 -0.000 0.000 0.216 54 L C 2.348 179.192 176.870 -0.044 0.000 1.074 54 L CA 1.761 56.576 54.840 -0.042 0.000 0.763 54 L CB -1.209 40.832 42.059 -0.029 0.000 0.890 54 L HN 0.303 nan 8.230 nan 0.000 0.434 55 L N -1.158 120.029 121.223 -0.061 0.000 2.046 55 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 55 L C 0.878 177.720 176.870 -0.047 0.000 1.077 55 L CA 1.405 56.212 54.840 -0.054 0.000 0.747 55 L CB -0.246 41.771 42.059 -0.070 0.000 0.896 55 L HN 0.132 nan 8.230 nan 0.000 0.432 56 L N 0.188 121.377 121.223 -0.056 0.000 2.360 56 L HA 0.262 4.602 4.340 -0.000 0.000 0.271 56 L C -0.276 176.588 176.870 -0.009 0.000 1.057 56 L CA -1.168 53.660 54.840 -0.021 0.000 0.803 56 L CB 0.534 42.593 42.059 -0.000 0.000 1.207 56 L HN -0.021 nan 8.230 nan 0.000 0.445 57 D N 2.006 122.411 120.400 0.007 0.000 2.487 57 D HA -0.006 4.634 4.640 -0.000 0.000 0.243 57 D C 0.083 176.392 176.300 0.015 0.000 1.154 57 D CA 0.339 54.344 54.000 0.009 0.000 0.876 57 D CB 0.409 41.219 40.800 0.016 0.000 1.161 57 D HN 0.412 nan 8.370 nan 0.000 0.478 58 E N 0.490 120.695 120.200 0.007 0.000 2.608 58 E HA 0.139 4.489 4.350 -0.000 0.000 0.259 58 E C 1.296 177.906 176.600 0.016 0.000 0.951 58 E CA 0.689 57.095 56.400 0.009 0.000 0.945 58 E CB 0.316 30.018 29.700 0.003 0.000 0.916 58 E HN 0.723 nan 8.360 nan 0.000 0.477 59 G N 2.353 111.167 108.800 0.023 0.000 2.205 59 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.261 59 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.261 59 G C 1.096 176.004 174.900 0.013 0.000 0.980 59 G CA 0.800 45.909 45.100 0.016 0.000 0.632 59 G HN 0.641 nan 8.290 nan 0.000 0.533 60 S N -0.556 115.164 115.700 0.033 0.000 2.388 60 S HA 0.334 4.804 4.470 -0.000 0.000 0.223 60 S C 1.126 175.722 174.600 -0.007 0.000 1.034 60 S CA 0.670 58.887 58.200 0.028 0.000 0.963 60 S CB -0.088 63.143 63.200 0.053 0.000 0.827 60 S HN 1.244 nan 8.310 nan 0.000 0.481 61 F N 3.843 123.715 119.950 -0.130 0.000 2.580 61 F HA 0.308 4.835 4.527 -0.000 0.000 0.398 61 F C -0.595 175.020 175.800 -0.308 0.000 1.023 61 F CA -0.425 57.451 58.000 -0.207 0.000 1.188 61 F CB 0.309 39.215 39.000 -0.155 0.000 1.005 61 F HN -0.020 nan 8.300 nan 0.000 0.546 62 V N 7.216 126.410 119.914 -1.200 0.000 2.304 62 V HA 0.186 4.306 4.120 -0.000 0.000 0.278 62 V C 0.048 175.254 176.094 -1.480 0.000 1.018 62 V CA -1.006 60.545 62.300 -1.249 0.000 0.814 62 V CB 1.042 32.083 31.823 -1.303 0.000 1.021 62 V HN 0.727 nan 8.190 nan 0.000 0.440 63 E N 3.233 122.609 120.200 -1.374 0.000 2.373 63 E HA 0.355 4.705 4.350 -0.000 0.000 0.267 63 E C -1.342 174.944 176.600 -0.522 0.000 1.032 63 E CA -0.554 55.254 56.400 -0.987 0.000 0.889 63 E CB 1.143 30.545 29.700 -0.497 0.000 0.984 63 E HN 0.404 nan 8.360 nan 0.000 0.425 64 L N 4.347 125.375 121.223 -0.325 0.000 2.333 64 L HA 0.207 4.547 4.340 -0.000 0.000 0.280 64 L C -0.754 176.028 176.870 -0.146 0.000 1.004 64 L CA 0.103 54.818 54.840 -0.210 0.000 0.820 64 L CB 1.538 43.507 42.059 -0.149 0.000 1.247 64 L HN 0.651 nan 8.230 nan 0.000 0.416 65 D N 1.431 121.740 120.400 -0.151 0.000 2.775 65 D HA -0.210 4.430 4.640 -0.000 0.000 0.235 65 D C 1.066 177.291 176.300 -0.125 0.000 1.120 65 D CA 1.158 55.096 54.000 -0.103 0.000 0.708 65 D CB -0.346 40.432 40.800 -0.036 0.000 1.084 65 D HN 0.889 nan 8.370 nan 0.000 0.434 66 E N -0.593 119.428 120.200 -0.298 0.000 2.274 66 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 66 E C 1.104 177.651 176.600 -0.089 0.000 0.996 66 E CA 0.631 56.859 56.400 -0.287 0.000 0.840 66 E CB -0.151 29.280 29.700 -0.449 0.000 0.772 66 E HN 0.263 nan 8.360 nan 0.000 0.491 67 F N 1.488 121.447 119.950 0.016 0.000 2.641 67 F HA 0.421 4.948 4.527 -0.000 0.000 0.302 67 F C 0.747 176.678 175.800 0.218 0.000 1.098 67 F CA -1.361 56.721 58.000 0.137 0.000 1.318 67 F CB -0.201 38.794 39.000 -0.009 0.000 1.035 67 F HN -0.031 nan 8.300 nan 0.000 0.551 68 A N 1.640 124.616 122.820 0.260 0.000 2.522 68 A HA 0.347 4.667 4.320 -0.000 0.000 0.256 68 A C 0.646 178.324 177.584 0.157 0.000 1.086 68 A CA -0.051 52.087 52.037 0.168 0.000 0.763 68 A CB 0.002 19.058 19.000 0.095 0.000 1.024 68 A HN 0.280 nan 8.150 nan 0.000 0.502 69 R N 2.024 122.583 120.500 0.098 0.000 2.439 69 R HA 0.252 4.592 4.340 -0.000 0.000 0.310 69 R C -0.318 175.978 176.300 -0.007 0.000 0.955 69 R CA -0.712 55.385 56.100 -0.005 0.000 0.853 69 R CB 1.238 31.482 30.300 -0.093 0.000 1.171 69 R HN 1.071 nan 8.270 nan 0.000 0.449 70 H N 2.238 121.331 119.070 0.038 0.000 3.025 70 H HA -0.081 4.475 4.556 -0.000 0.000 0.365 70 H C -0.075 175.241 175.328 -0.020 0.000 1.204 70 H CA 0.302 56.350 56.048 0.001 0.000 1.406 70 H CB 0.621 30.370 29.762 -0.021 0.000 1.355 70 H HN 0.621 nan 8.280 nan 0.000 0.610 71 R N 1.088 121.830 120.500 0.403 0.000 2.635 71 R HA 0.290 4.630 4.340 -0.000 0.000 0.393 71 R C -0.710 175.676 176.300 0.143 0.000 1.070 71 R CA -0.329 55.908 56.100 0.229 0.000 1.118 71 R CB -0.229 30.117 30.300 0.077 0.000 1.341 71 R HN 0.455 nan 8.270 nan 0.000 0.628 72 S N 0.751 116.517 115.700 0.110 0.000 2.525 72 S HA 0.197 4.667 4.470 -0.000 0.000 0.278 72 S C 0.994 175.543 174.600 -0.085 0.000 1.234 72 S CA -0.120 57.985 58.200 -0.159 0.000 1.058 72 S CB 1.447 64.381 63.200 -0.443 0.000 0.983 72 S HN 0.408 nan 8.310 nan 0.000 0.495 73 T N 1.874 116.367 114.554 -0.103 0.000 3.054 73 T HA 0.195 4.545 4.350 -0.000 0.000 0.255 73 T C 1.174 175.783 174.700 -0.153 0.000 1.035 73 T CA -0.193 61.864 62.100 -0.072 0.000 0.941 73 T CB -0.418 68.435 68.868 -0.026 0.000 1.026 73 T HN 0.563 nan 8.240 nan 0.000 0.533 74 N N 1.823 120.340 118.700 -0.305 0.000 2.187 74 N HA -0.069 4.671 4.740 -0.000 0.000 0.194 74 N C 0.489 175.776 175.510 -0.372 0.000 1.002 74 N CA 2.434 55.234 53.050 -0.415 0.000 0.882 74 N CB -0.301 37.807 38.487 -0.631 0.000 1.003 74 N HN 0.813 nan 8.380 nan 0.000 0.443 75 F N -6.020 113.915 119.950 -0.026 0.000 2.031 75 F HA 0.307 4.834 4.527 -0.000 0.000 0.231 75 F C 1.103 176.908 175.800 0.008 0.000 1.304 75 F CA -0.573 57.422 58.000 -0.008 0.000 1.116 75 F CB -0.262 38.731 39.000 -0.011 0.000 2.145 75 F HN -0.285 nan 8.300 nan 0.000 0.108 76 G N 1.598 110.748 108.800 0.584 0.000 3.263 76 G HA2 0.399 4.359 3.960 -0.000 0.000 0.246 76 G HA3 0.399 4.359 3.960 -0.000 0.000 0.246 76 G C 0.172 175.203 174.900 0.218 0.000 0.982 76 G CA 0.349 45.643 45.100 0.322 0.000 1.897 76 G HN 0.383 nan 8.290 nan 0.000 0.624 77 L N -0.221 121.050 121.223 0.081 0.000 2.471 77 L HA 0.131 4.471 4.340 -0.000 0.000 0.186 77 L C 2.380 179.371 176.870 0.201 0.000 1.191 77 L CA 0.403 55.279 54.840 0.060 0.000 0.835 77 L CB -0.392 41.547 42.059 -0.199 0.000 1.092 77 L HN 0.272 nan 8.230 nan 0.000 0.495 78 D N 1.404 121.900 120.400 0.160 0.000 2.332 78 D HA -0.239 4.401 4.640 -0.000 0.000 0.209 78 D C 1.792 178.126 176.300 0.058 0.000 0.988 78 D CA 1.236 55.302 54.000 0.109 0.000 0.912 78 D CB -0.471 40.365 40.800 0.059 0.000 0.899 78 D HN 0.315 nan 8.370 nan 0.000 0.477 79 A N 1.161 124.031 122.820 0.083 0.000 1.881 79 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 79 A C 1.133 178.741 177.584 0.041 0.000 1.215 79 A CA 2.067 54.143 52.037 0.064 0.000 0.648 79 A CB -1.056 17.998 19.000 0.089 0.000 0.832 79 A HN 0.675 nan 8.150 nan 0.000 0.455 80 N N -1.654 117.093 118.700 0.079 0.000 2.352 80 N HA 0.538 5.278 4.740 -0.000 0.000 0.291 80 N C -1.155 174.374 175.510 0.032 0.000 1.040 80 N CA -0.756 52.309 53.050 0.025 0.000 0.864 80 N CB 1.451 39.939 38.487 0.002 0.000 1.440 80 N HN 0.225 nan 8.380 nan 0.000 0.483 81 R N 2.438 122.852 120.500 -0.144 0.000 2.407 81 R HA 0.386 4.726 4.340 -0.000 0.000 0.298 81 R C -2.693 173.456 176.300 -0.251 0.000 1.166 81 R CA -1.600 54.319 56.100 -0.302 0.000 1.006 81 R CB 1.670 31.644 30.300 -0.544 0.000 1.145 81 R HN 0.528 nan 8.270 nan 0.000 0.538 82 P HA 0.066 nan 4.420 nan 0.000 0.286 82 P C -0.702 176.568 177.300 -0.050 0.000 1.269 82 P CA -0.494 62.530 63.100 -0.126 0.000 0.787 82 P CB 0.569 32.228 31.700 -0.069 0.000 0.920 83 Y N 1.867 122.200 120.300 0.054 0.000 2.987 83 Y HA 0.120 4.670 4.550 -0.000 0.000 0.339 83 Y C 2.203 178.151 175.900 0.080 0.000 1.272 83 Y CA 2.286 60.450 58.100 0.105 0.000 1.562 83 Y CB -0.795 37.773 38.460 0.180 0.000 1.253 83 Y HN 0.858 nan 8.280 nan 0.000 0.604 84 G N 1.675 110.618 108.800 0.239 0.000 2.284 84 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.247 84 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.247 84 G C 0.492 175.440 174.900 0.080 0.000 1.012 84 G CA 0.399 45.565 45.100 0.111 0.000 0.618 84 G HN 0.909 nan 8.290 nan 0.000 0.521 85 D N -0.942 119.543 120.400 0.141 0.000 2.686 85 D HA 0.184 4.824 4.640 -0.000 0.000 0.235 85 D C 1.739 178.183 176.300 0.241 0.000 1.160 85 D CA 3.191 57.326 54.000 0.225 0.000 0.645 85 D CB -1.274 39.659 40.800 0.222 0.000 1.039 85 D HN 2.195 nan 8.370 nan 0.000 0.423 86 G N -2.323 106.567 108.800 0.151 0.000 2.176 86 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.232 86 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.232 86 G C 0.187 174.968 174.900 -0.199 0.000 0.986 86 G CA 0.222 45.427 45.100 0.175 0.000 0.643 86 G HN 1.360 nan 8.290 nan 0.000 0.522 87 V N -0.500 119.197 119.914 -0.361 0.000 3.000 87 V HA 0.743 4.863 4.120 -0.000 0.000 0.300 87 V C -0.779 175.215 176.094 -0.167 0.000 1.251 87 V CA -0.109 61.952 62.300 -0.399 0.000 0.972 87 V CB 2.111 33.389 31.823 -0.909 0.000 1.065 87 V HN 1.311 nan 8.190 nan 0.000 0.431 88 V N 6.623 126.498 119.914 -0.065 0.000 2.483 88 V HA 0.981 5.101 4.120 -0.000 0.000 0.295 88 V C -0.007 176.123 176.094 0.060 0.000 1.035 88 V CA 0.860 63.159 62.300 -0.002 0.000 0.896 88 V CB 1.910 33.721 31.823 -0.019 0.000 0.986 88 V HN 1.364 nan 8.190 nan 0.000 0.447 89 T N 2.752 117.378 114.554 0.119 0.000 2.841 89 T HA 1.000 5.350 4.350 -0.000 0.000 0.296 89 T C -0.096 174.731 174.700 0.211 0.000 1.166 89 T CA -0.152 62.049 62.100 0.168 0.000 1.007 89 T CB 1.659 70.594 68.868 0.110 0.000 1.253 89 T HN 1.891 nan 8.240 nan 0.000 0.511 90 G N 0.036 108.946 108.800 0.183 0.000 2.351 90 G HA2 0.448 4.408 3.960 -0.000 0.000 0.279 90 G HA3 0.448 4.408 3.960 -0.000 0.000 0.279 90 G C -2.042 172.872 174.900 0.024 0.000 1.297 90 G CA -0.318 44.770 45.100 -0.019 0.000 0.886 90 G HN 1.566 nan 8.290 nan 0.000 0.493 91 Y N -0.762 119.406 120.300 -0.219 0.000 2.536 91 Y HA 0.911 5.461 4.550 -0.000 0.000 0.347 91 Y C 0.361 176.241 175.900 -0.034 0.000 1.000 91 Y CA -0.472 57.539 58.100 -0.147 0.000 1.051 91 Y CB 1.884 40.131 38.460 -0.355 0.000 1.259 91 Y HN 1.559 nan 8.280 nan 0.000 0.468 92 G N 0.367 109.298 108.800 0.217 0.000 2.664 92 G HA2 0.544 4.504 3.960 -0.000 0.000 0.303 92 G HA3 0.544 4.504 3.960 -0.000 0.000 0.303 92 G C -1.460 173.544 174.900 0.174 0.000 1.243 92 G CA -0.522 44.674 45.100 0.160 0.000 0.826 92 G HN 1.061 nan 8.290 nan 0.000 0.498 93 T N -2.442 112.180 114.554 0.113 0.000 2.908 93 T HA 0.713 5.063 4.350 -0.000 0.000 0.290 93 T C -1.145 173.583 174.700 0.046 0.000 1.034 93 T CA -0.759 61.389 62.100 0.081 0.000 1.010 93 T CB 1.987 70.895 68.868 0.067 0.000 1.068 93 T HN 0.845 nan 8.240 nan 0.000 0.481 94 V N 2.568 122.497 119.914 0.025 0.000 2.483 94 V HA 0.352 4.472 4.120 -0.000 0.000 0.297 94 V C -0.415 175.672 176.094 -0.013 0.000 1.027 94 V CA -0.736 61.563 62.300 -0.001 0.000 0.855 94 V CB 1.174 32.987 31.823 -0.017 0.000 0.995 94 V HN 1.146 nan 8.190 nan 0.000 0.424 95 D N 4.197 124.588 120.400 -0.015 0.000 2.708 95 D HA -0.225 4.415 4.640 -0.000 0.000 0.236 95 D C 1.335 177.639 176.300 0.007 0.000 1.146 95 D CA 1.417 55.410 54.000 -0.011 0.000 0.662 95 D CB -0.976 39.808 40.800 -0.028 0.000 1.059 95 D HN 1.433 nan 8.370 nan 0.000 0.428 96 G N -0.346 108.461 108.800 0.011 0.000 2.212 96 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.266 96 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.266 96 G C 0.415 175.324 174.900 0.015 0.000 0.978 96 G CA 0.718 45.828 45.100 0.017 0.000 0.632 96 G HN 0.540 nan 8.290 nan 0.000 0.537 97 R N 1.335 121.840 120.500 0.009 0.000 2.486 97 R HA 0.526 4.866 4.340 -0.000 0.000 0.286 97 R C -2.324 173.992 176.300 0.027 0.000 0.999 97 R CA -1.674 54.429 56.100 0.005 0.000 0.993 97 R CB 1.356 31.646 30.300 -0.016 0.000 1.084 97 R HN 0.179 nan 8.270 nan 0.000 0.487 98 P HA 0.213 nan 4.420 nan 0.000 0.277 98 P C -0.989 176.361 177.300 0.083 0.000 1.240 98 P CA -0.279 62.868 63.100 0.079 0.000 0.798 98 P CB 1.446 33.192 31.700 0.076 0.000 0.979 99 V N 0.412 120.403 119.914 0.129 0.000 3.108 99 V HA 0.648 4.768 4.120 -0.000 0.000 0.287 99 V C -1.738 174.460 176.094 0.173 0.000 1.436 99 V CA -0.698 61.673 62.300 0.119 0.000 1.001 99 V CB 1.923 33.786 31.823 0.067 0.000 1.141 99 V HN 0.842 nan 8.190 nan 0.000 0.443 100 A N 4.104 127.027 122.820 0.171 0.000 2.355 100 A HA 0.966 5.286 4.320 -0.000 0.000 0.324 100 A C -1.148 176.515 177.584 0.133 0.000 1.117 100 A CA -0.395 51.757 52.037 0.191 0.000 0.785 100 A CB 1.937 21.095 19.000 0.263 0.000 1.254 100 A HN 1.774 nan 8.150 nan 0.000 0.453 101 V N 2.756 122.749 119.914 0.132 0.000 2.841 101 V HA 0.826 4.946 4.120 -0.000 0.000 0.310 101 V C -1.787 174.384 176.094 0.128 0.000 1.090 101 V CA -0.784 61.545 62.300 0.050 0.000 0.930 101 V CB 1.786 33.605 31.823 -0.006 0.000 1.014 101 V HN 1.188 nan 8.190 nan 0.000 0.425 102 F N 3.556 123.533 119.950 0.044 0.000 2.540 102 F HA 0.888 5.415 4.527 -0.000 0.000 0.317 102 F C -0.446 175.352 175.800 -0.004 0.000 1.104 102 F CA -0.891 57.119 58.000 0.016 0.000 0.913 102 F CB 1.977 40.991 39.000 0.024 0.000 1.170 102 F HN 0.414 nan 8.300 nan 0.000 0.450 103 S N 2.858 118.650 115.700 0.153 0.000 2.707 103 S HA 0.366 4.836 4.470 -0.000 0.000 0.303 103 S C -1.005 173.663 174.600 0.114 0.000 1.132 103 S CA -0.611 57.629 58.200 0.067 0.000 1.046 103 S CB 0.865 64.037 63.200 -0.047 0.000 1.004 103 S HN 0.790 nan 8.310 nan 0.000 0.483 104 Q N 2.440 122.353 119.800 0.189 0.000 2.327 104 Q HA 0.242 4.582 4.340 -0.000 0.000 0.254 104 Q C -0.993 175.101 176.000 0.157 0.000 0.952 104 Q CA -0.255 55.659 55.803 0.186 0.000 0.884 104 Q CB 0.717 29.664 28.738 0.348 0.000 1.224 104 Q HN 0.514 nan 8.270 nan 0.000 0.422 105 D N 1.432 121.922 120.400 0.150 0.000 2.460 105 D HA 0.102 4.742 4.640 -0.000 0.000 0.232 105 D C -0.399 176.025 176.300 0.206 0.000 1.079 105 D CA -0.471 53.615 54.000 0.143 0.000 0.864 105 D CB 0.352 41.191 40.800 0.065 0.000 1.048 105 D HN 0.425 nan 8.370 nan 0.000 0.523 106 F N 2.226 122.216 119.950 0.068 0.000 2.269 106 F HA -0.148 4.379 4.527 -0.000 0.000 0.301 106 F C 2.083 177.907 175.800 0.040 0.000 1.082 106 F CA 1.211 59.249 58.000 0.064 0.000 1.360 106 F CB -0.028 38.991 39.000 0.033 0.000 1.041 106 F HN 0.317 nan 8.300 nan 0.000 0.512 107 T N -0.169 114.443 114.554 0.097 0.000 2.737 107 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 107 T C 0.706 175.346 174.700 -0.101 0.000 1.040 107 T CA 1.273 63.371 62.100 -0.002 0.000 1.142 107 T CB -0.425 68.455 68.868 0.019 0.000 0.861 107 T HN -0.121 nan 8.240 nan 0.000 0.456 108 V N 2.515 122.385 119.914 -0.073 0.000 2.364 108 V HA 0.428 4.548 4.120 -0.000 0.000 0.272 108 V C 0.157 176.201 176.094 -0.084 0.000 1.036 108 V CA -1.128 61.069 62.300 -0.171 0.000 0.880 108 V CB -0.768 31.047 31.823 -0.013 0.000 0.991 108 V HN 0.475 nan 8.190 nan 0.000 0.460 109 F N 2.207 122.124 119.950 -0.055 0.000 1.448 109 F HA -0.264 4.263 4.527 -0.000 0.000 0.108 109 F C 1.902 177.561 175.800 -0.235 0.000 0.130 109 F CA 1.199 59.142 58.000 -0.095 0.000 0.368 109 F CB -1.139 37.836 39.000 -0.041 0.000 1.324 109 F HN 0.594 nan 8.300 nan 0.000 0.641 110 G N 0.159 108.941 108.800 -0.031 0.000 3.186 110 G HA2 0.389 4.349 3.960 -0.000 0.000 0.214 110 G HA3 0.389 4.349 3.960 -0.000 0.000 0.214 110 G C 1.185 175.905 174.900 -0.300 0.000 1.222 110 G CA 0.614 45.511 45.100 -0.340 0.000 0.921 110 G HN 1.928 nan 8.290 nan 0.000 0.504 111 G N -0.521 108.232 108.800 -0.078 0.000 2.304 111 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.252 111 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.252 111 G C 0.924 175.936 174.900 0.188 0.000 1.014 111 G CA 0.552 45.769 45.100 0.195 0.000 0.619 111 G HN 1.680 nan 8.290 nan 0.000 0.525 112 A N 0.374 123.221 122.820 0.044 0.000 2.602 112 A HA 0.271 4.591 4.320 -0.000 0.000 0.257 112 A C 0.902 178.224 177.584 -0.436 0.000 0.973 112 A CA 1.044 53.017 52.037 -0.108 0.000 0.862 112 A CB -0.098 18.849 19.000 -0.088 0.000 0.855 112 A HN 1.864 nan 8.150 nan 0.000 0.492 113 L N 4.743 125.550 121.223 -0.693 0.000 2.742 113 L HA 0.341 4.681 4.340 -0.000 0.000 0.275 113 L C 1.037 177.397 176.870 -0.849 0.000 1.141 113 L CA 0.661 54.719 54.840 -1.303 0.000 0.987 113 L CB -0.321 41.142 42.059 -0.992 0.000 1.319 113 L HN 0.782 nan 8.230 nan 0.000 0.478 114 G N 3.010 111.377 108.800 -0.723 0.000 2.574 114 G HA2 0.122 4.082 3.960 -0.000 0.000 0.248 114 G HA3 0.122 4.082 3.960 -0.000 0.000 0.248 114 G C 0.303 175.045 174.900 -0.263 0.000 1.422 114 G CA 0.113 44.985 45.100 -0.380 0.000 1.051 114 G HN 0.678 nan 8.290 nan 0.000 0.560 115 E N -1.448 118.656 120.200 -0.160 0.000 2.045 115 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 115 E C 2.640 179.216 176.600 -0.041 0.000 0.968 115 E CA 1.062 57.389 56.400 -0.121 0.000 0.813 115 E CB -0.077 29.555 29.700 -0.113 0.000 0.780 115 E HN 0.261 nan 8.360 nan 0.000 0.455 116 V N -0.194 119.733 119.914 0.020 0.000 2.759 116 V HA -0.193 3.927 4.120 -0.000 0.000 0.256 116 V C 2.130 178.275 176.094 0.085 0.000 1.080 116 V CA 1.663 63.994 62.300 0.050 0.000 1.101 116 V CB -1.095 30.773 31.823 0.076 0.000 0.698 116 V HN 0.434 nan 8.190 nan 0.000 0.477 117 Y N 2.197 122.463 120.300 -0.057 0.000 2.181 117 Y HA 0.008 4.558 4.550 -0.000 0.000 0.288 117 Y C 2.420 178.235 175.900 -0.141 0.000 1.146 117 Y CA 1.436 59.493 58.100 -0.072 0.000 1.164 117 Y CB -0.475 37.944 38.460 -0.069 0.000 0.982 117 Y HN 0.334 nan 8.280 nan 0.000 0.515 118 G N -0.573 108.289 108.800 0.103 0.000 2.484 118 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 118 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 118 G C 1.363 176.227 174.900 -0.060 0.000 1.130 118 G CA 0.457 45.522 45.100 -0.058 0.000 0.784 118 G HN 0.438 nan 8.290 nan 0.000 0.543 119 Q N 0.269 120.054 119.800 -0.026 0.000 2.062 119 Q HA -0.052 4.288 4.340 -0.000 0.000 0.196 119 Q C 2.578 178.571 176.000 -0.010 0.000 0.967 119 Q CA 1.473 57.265 55.803 -0.019 0.000 0.832 119 Q CB -0.036 28.700 28.738 -0.004 0.000 0.899 119 Q HN 0.643 nan 8.270 nan 0.000 0.442 120 K N 0.033 120.428 120.400 -0.009 0.000 2.211 120 K HA -0.080 4.240 4.320 -0.000 0.000 0.203 120 K C 1.710 178.293 176.600 -0.027 0.000 1.050 120 K CA 1.215 57.494 56.287 -0.013 0.000 0.945 120 K CB -0.189 32.299 32.500 -0.021 0.000 0.732 120 K HN 0.140 nan 8.250 nan 0.000 0.451 121 I N 1.184 121.704 120.570 -0.084 0.000 2.315 121 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 121 I C 2.170 178.248 176.117 -0.065 0.000 1.117 121 I CA 0.721 61.923 61.300 -0.164 0.000 1.404 121 I CB -0.102 37.654 38.000 -0.407 0.000 1.071 121 I HN 0.000 nan 8.210 nan 0.000 0.419 122 V N 1.071 120.961 119.914 -0.040 0.000 2.295 122 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 122 V C 2.529 178.658 176.094 0.058 0.000 1.049 122 V CA 2.018 64.324 62.300 0.010 0.000 1.024 122 V CB -0.569 31.253 31.823 -0.003 0.000 0.648 122 V HN 0.403 nan 8.190 nan 0.000 0.447 123 K N 0.353 120.785 120.400 0.054 0.000 2.113 123 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 123 K C 1.841 178.527 176.600 0.144 0.000 1.047 123 K CA 2.118 58.456 56.287 0.086 0.000 0.928 123 K CB -0.176 32.360 32.500 0.060 0.000 0.716 123 K HN 0.524 nan 8.250 nan 0.000 0.446 124 V N -2.004 117.992 119.914 0.137 0.000 2.788 124 V HA -0.040 4.080 4.120 -0.000 0.000 0.251 124 V C 2.040 178.286 176.094 0.254 0.000 1.068 124 V CA 0.974 63.392 62.300 0.197 0.000 1.090 124 V CB -0.424 31.506 31.823 0.178 0.000 0.710 124 V HN 0.214 nan 8.190 nan 0.000 0.467 125 M N 0.498 120.220 119.600 0.203 0.000 2.200 125 M HA -0.078 4.402 4.480 -0.000 0.000 0.265 125 M C 1.892 178.298 176.300 0.176 0.000 1.066 125 M CA 1.878 57.297 55.300 0.199 0.000 1.127 125 M CB -0.559 32.139 32.600 0.163 0.000 1.379 125 M HN 0.299 nan 8.290 nan 0.000 0.420 126 D N 0.093 120.588 120.400 0.157 0.000 2.183 126 D HA -0.104 4.536 4.640 -0.000 0.000 0.203 126 D C 1.675 178.053 176.300 0.129 0.000 0.969 126 D CA 1.041 55.115 54.000 0.125 0.000 0.842 126 D CB -0.241 40.620 40.800 0.100 0.000 0.957 126 D HN 0.252 nan 8.370 nan 0.000 0.484 127 F N 1.692 121.672 119.950 0.050 0.000 2.102 127 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 127 F C 2.221 178.039 175.800 0.030 0.000 1.105 127 F CA 1.558 59.576 58.000 0.030 0.000 1.239 127 F CB -0.043 38.983 39.000 0.043 0.000 0.991 127 F HN -0.069 nan 8.300 nan 0.000 0.474 128 A N 0.288 123.289 122.820 0.301 0.000 1.858 128 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 128 A C 2.082 179.706 177.584 0.068 0.000 1.190 128 A CA 1.803 53.958 52.037 0.196 0.000 0.617 128 A CB -1.356 17.772 19.000 0.213 0.000 0.827 128 A HN 0.468 nan 8.150 nan 0.000 0.443 129 L N 0.200 121.469 121.223 0.076 0.000 2.042 129 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 129 L C 2.429 179.289 176.870 -0.016 0.000 1.076 129 L CA 2.776 57.645 54.840 0.048 0.000 0.749 129 L CB -0.519 41.583 42.059 0.072 0.000 0.893 129 L HN 0.545 nan 8.230 nan 0.000 0.432 130 K N -1.287 119.071 120.400 -0.069 0.000 2.057 130 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 130 K C 1.618 178.111 176.600 -0.178 0.000 1.049 130 K CA 1.900 58.110 56.287 -0.128 0.000 0.931 130 K CB -0.241 32.153 32.500 -0.177 0.000 0.714 130 K HN 0.555 nan 8.250 nan 0.000 0.440 131 T N -3.228 111.170 114.554 -0.260 0.000 3.086 131 T HA 0.222 4.572 4.350 -0.000 0.000 0.250 131 T C 0.942 175.569 174.700 -0.122 0.000 1.074 131 T CA 0.192 62.137 62.100 -0.258 0.000 0.988 131 T CB 0.318 68.913 68.868 -0.455 0.000 0.988 131 T HN 0.380 nan 8.240 nan 0.000 0.530 132 G N 1.645 110.407 108.800 -0.064 0.000 2.333 132 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.296 132 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.296 132 G C 0.207 175.115 174.900 0.012 0.000 1.059 132 G CA -0.004 45.092 45.100 -0.007 0.000 1.050 132 G HN 1.367 nan 8.290 nan 0.000 0.508 133 C N -1.855 117.466 119.300 0.036 0.000 2.667 133 C HA 0.989 5.449 4.460 -0.000 0.000 0.323 133 C C -1.984 173.046 174.990 0.068 0.000 1.214 133 C CA -2.703 56.347 59.018 0.054 0.000 1.721 133 C CB 2.026 29.817 27.740 0.086 0.000 2.275 133 C HN 0.301 nan 8.230 nan 0.000 0.491 134 P HA 0.222 nan 4.420 nan 0.000 0.269 134 P C -0.482 176.862 177.300 0.074 0.000 1.215 134 P CA 0.052 63.169 63.100 0.027 0.000 0.780 134 P CB 0.450 32.138 31.700 -0.021 0.000 0.898 135 V N 3.400 123.365 119.914 0.086 0.000 2.547 135 V HA 0.364 4.484 4.120 -0.000 0.000 0.299 135 V C -0.693 175.423 176.094 0.037 0.000 1.040 135 V CA -0.698 61.664 62.300 0.102 0.000 0.913 135 V CB 1.797 33.723 31.823 0.171 0.000 0.992 135 V HN 0.145 nan 8.190 nan 0.000 0.449 136 V N 5.982 125.875 119.914 -0.035 0.000 2.378 136 V HA 0.647 4.767 4.120 -0.000 0.000 0.288 136 V C 0.575 176.414 176.094 -0.424 0.000 1.016 136 V CA -0.155 62.066 62.300 -0.133 0.000 0.840 136 V CB 1.427 33.190 31.823 -0.100 0.000 0.994 136 V HN 1.008 nan 8.190 nan 0.000 0.431 137 G N 5.522 113.992 108.800 -0.550 0.000 2.335 137 G HA2 0.689 4.649 3.960 -0.000 0.000 0.314 137 G HA3 0.689 4.649 3.960 -0.000 0.000 0.314 137 G C -0.620 173.942 174.900 -0.562 0.000 1.129 137 G CA -0.452 43.863 45.100 -1.309 0.000 0.912 137 G HN 0.657 nan 8.290 nan 0.000 0.443 138 I N 2.179 122.453 120.570 -0.494 0.000 2.330 138 I HA 0.239 4.409 4.170 -0.000 0.000 0.289 138 I C -0.713 175.435 176.117 0.052 0.000 1.001 138 I CA -0.838 60.385 61.300 -0.128 0.000 1.193 138 I CB 1.466 39.403 38.000 -0.106 0.000 1.345 138 I HN 0.304 nan 8.210 nan 0.000 0.461 139 N N 4.789 123.549 118.700 0.099 0.000 2.372 139 N HA 0.332 5.072 4.740 -0.000 0.000 0.291 139 N C -0.144 175.444 175.510 0.131 0.000 1.024 139 N CA -0.601 52.558 53.050 0.181 0.000 0.873 139 N CB 1.903 40.508 38.487 0.197 0.000 1.206 139 N HN 0.661 nan 8.380 nan 0.000 0.486 140 D N -0.502 120.006 120.400 0.180 0.000 3.081 140 D HA 0.050 4.690 4.640 -0.000 0.000 0.243 140 D C 0.040 176.489 176.300 0.249 0.000 1.388 140 D CA 0.102 54.198 54.000 0.159 0.000 1.245 140 D CB -0.790 40.096 40.800 0.144 0.000 1.319 140 D HN 0.327 nan 8.370 nan 0.000 0.377 141 S N 0.419 116.327 115.700 0.346 0.000 4.263 141 S HA 0.003 4.473 4.470 -0.000 0.000 0.508 141 S C 1.427 176.161 174.600 0.223 0.000 1.062 141 S CA 0.715 59.096 58.200 0.303 0.000 0.854 141 S CB -0.191 63.142 63.200 0.222 0.000 0.878 141 S HN 0.528 nan 8.310 nan 0.000 0.448 142 G N 4.878 113.828 108.800 0.251 0.000 2.701 142 G HA2 0.319 4.279 3.960 -0.000 0.000 0.215 142 G HA3 0.319 4.279 3.960 -0.000 0.000 0.215 142 G C 0.762 175.706 174.900 0.073 0.000 1.297 142 G CA 0.839 46.035 45.100 0.159 0.000 0.807 142 G HN 1.291 nan 8.290 nan 0.000 0.608 143 G N -1.060 107.788 108.800 0.080 0.000 3.259 143 G HA2 0.632 4.592 3.960 -0.000 0.000 0.178 143 G HA3 0.632 4.592 3.960 -0.000 0.000 0.178 143 G C -0.350 174.604 174.900 0.091 0.000 1.129 143 G CA 0.232 45.376 45.100 0.073 0.000 0.816 143 G HN 0.816 nan 8.290 nan 0.000 0.634 144 A N -0.473 122.417 122.820 0.118 0.000 2.366 144 A HA 0.600 4.920 4.320 -0.000 0.000 0.249 144 A C 0.598 178.151 177.584 -0.053 0.000 1.084 144 A CA -0.307 51.782 52.037 0.086 0.000 0.794 144 A CB 0.266 19.367 19.000 0.168 0.000 1.034 144 A HN 0.537 nan 8.150 nan 0.000 0.491 145 R N 2.249 122.651 120.500 -0.162 0.000 2.891 145 R HA 0.180 4.520 4.340 -0.000 0.000 0.248 145 R C 0.509 176.711 176.300 -0.163 0.000 1.439 145 R CA -0.516 55.456 56.100 -0.212 0.000 1.288 145 R CB -0.422 29.666 30.300 -0.354 0.000 1.212 145 R HN 0.725 nan 8.270 nan 0.000 0.605 146 I N 2.378 122.900 120.570 -0.080 0.000 2.185 146 I HA -0.365 3.805 4.170 -0.000 0.000 0.246 146 I C 1.768 177.850 176.117 -0.059 0.000 1.088 146 I CA 1.457 62.736 61.300 -0.036 0.000 1.347 146 I CB -0.918 37.092 38.000 0.017 0.000 1.041 146 I HN 0.610 nan 8.210 nan 0.000 0.415 147 Q N 0.837 120.581 119.800 -0.093 0.000 2.118 147 Q HA -0.237 4.103 4.340 -0.000 0.000 0.211 147 Q C 1.979 177.803 176.000 -0.294 0.000 0.998 147 Q CA 1.911 57.587 55.803 -0.212 0.000 0.872 147 Q CB -0.282 28.228 28.738 -0.380 0.000 0.925 147 Q HN 0.506 nan 8.270 nan 0.000 0.414 148 E N -0.145 119.885 120.200 -0.284 0.000 2.472 148 E HA -0.009 4.341 4.350 -0.000 0.000 0.200 148 E C 1.166 177.664 176.600 -0.170 0.000 1.046 148 E CA 0.703 56.945 56.400 -0.264 0.000 0.871 148 E CB -0.379 29.158 29.700 -0.272 0.000 0.806 148 E HN 0.411 nan 8.360 nan 0.000 0.533 149 G N 1.048 109.777 108.800 -0.118 0.000 2.582 149 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.288 149 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.288 149 G C 1.145 176.010 174.900 -0.059 0.000 1.247 149 G CA 1.356 46.416 45.100 -0.065 0.000 0.972 149 G HN 0.437 nan 8.290 nan 0.000 0.557 150 V N -1.747 118.141 119.914 -0.043 0.000 2.970 150 V HA 0.361 4.481 4.120 -0.000 0.000 0.260 150 V C 3.004 179.068 176.094 -0.049 0.000 1.100 150 V CA 2.265 64.547 62.300 -0.029 0.000 1.122 150 V CB -1.065 30.748 31.823 -0.017 0.000 0.721 150 V HN 2.253 nan 8.190 nan 0.000 0.483 151 A N 0.371 123.146 122.820 -0.075 0.000 2.234 151 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 151 A C 2.322 179.828 177.584 -0.131 0.000 1.167 151 A CA 2.034 54.013 52.037 -0.096 0.000 0.698 151 A CB -0.654 18.282 19.000 -0.107 0.000 0.779 151 A HN 0.629 nan 8.150 nan 0.000 0.475 152 S N -0.765 114.857 115.700 -0.130 0.000 2.468 152 S HA 0.134 4.604 4.470 -0.000 0.000 0.226 152 S C 1.599 176.136 174.600 -0.104 0.000 1.051 152 S CA 0.416 58.502 58.200 -0.190 0.000 0.943 152 S CB -0.242 62.852 63.200 -0.177 0.000 0.810 152 S HN 0.547 nan 8.310 nan 0.000 0.509 153 L N 1.388 122.635 121.223 0.040 0.000 2.261 153 L HA -0.057 4.283 4.340 -0.000 0.000 0.216 153 L C 2.447 179.322 176.870 0.008 0.000 1.114 153 L CA 1.144 56.059 54.840 0.125 0.000 0.777 153 L CB -0.825 41.276 42.059 0.071 0.000 0.910 153 L HN 0.408 nan 8.230 nan 0.000 0.440 154 G N -0.636 108.127 108.800 -0.061 0.000 2.453 154 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.215 154 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.215 154 G C 1.801 176.612 174.900 -0.148 0.000 1.147 154 G CA 0.605 45.652 45.100 -0.088 0.000 0.802 154 G HN 0.408 nan 8.290 nan 0.000 0.535 155 A N 0.432 123.124 122.820 -0.214 0.000 1.877 155 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 155 A C 2.179 179.549 177.584 -0.357 0.000 1.186 155 A CA 1.386 53.253 52.037 -0.283 0.000 0.620 155 A CB -0.667 18.111 19.000 -0.370 0.000 0.822 155 A HN 0.342 nan 8.150 nan 0.000 0.443 156 Y N 0.271 120.332 120.300 -0.398 0.000 2.128 156 Y HA -0.115 4.435 4.550 -0.000 0.000 0.284 156 Y C 2.813 178.001 175.900 -1.188 0.000 1.154 156 Y CA 0.958 58.595 58.100 -0.772 0.000 1.149 156 Y CB -1.114 36.897 38.460 -0.747 0.000 0.976 156 Y HN 0.312 nan 8.280 nan 0.000 0.505 157 G N -0.167 108.300 108.800 -0.554 0.000 2.459 157 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.217 157 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.217 157 G C 1.612 176.393 174.900 -0.198 0.000 1.183 157 G CA 1.123 46.016 45.100 -0.346 0.000 0.776 157 G HN 0.275 nan 8.290 nan 0.000 0.552 158 E N 0.493 120.597 120.200 -0.159 0.000 2.097 158 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 158 E C 2.598 179.165 176.600 -0.055 0.000 1.000 158 E CA 0.895 57.246 56.400 -0.083 0.000 0.804 158 E CB -0.262 29.393 29.700 -0.075 0.000 0.740 158 E HN 0.573 nan 8.360 nan 0.000 0.454 159 I N 0.316 120.826 120.570 -0.100 0.000 2.202 159 I HA -0.235 3.934 4.170 -0.000 0.000 0.242 159 I C 2.219 178.447 176.117 0.185 0.000 1.091 159 I CA 0.744 62.051 61.300 0.013 0.000 1.368 159 I CB -0.389 37.608 38.000 -0.005 0.000 1.058 159 I HN -0.032 nan 8.210 nan 0.000 0.410 160 F N 1.232 121.209 119.950 0.044 0.000 2.154 160 F HA -0.213 4.314 4.527 -0.000 0.000 0.301 160 F C 2.696 178.460 175.800 -0.060 0.000 1.087 160 F CA 1.304 59.314 58.000 0.017 0.000 1.274 160 F CB -1.289 37.724 39.000 0.022 0.000 1.009 160 F HN 0.052 nan 8.300 nan 0.000 0.485 161 R N 0.440 120.992 120.500 0.086 0.000 2.066 161 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 161 R C 2.350 178.499 176.300 -0.251 0.000 1.131 161 R CA 1.334 57.346 56.100 -0.148 0.000 0.955 161 R CB -0.108 30.108 30.300 -0.140 0.000 0.851 161 R HN 0.145 nan 8.270 nan 0.000 0.432 162 R N -0.205 120.268 120.500 -0.044 0.000 2.148 162 R HA -0.007 4.333 4.340 -0.000 0.000 0.223 162 R C 1.919 178.276 176.300 0.094 0.000 1.088 162 R CA 1.497 57.629 56.100 0.054 0.000 0.985 162 R CB -0.223 30.136 30.300 0.099 0.000 0.880 162 R HN 0.418 nan 8.270 nan 0.000 0.451 163 N N -0.615 118.146 118.700 0.101 0.000 2.120 163 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 163 N C 1.280 176.837 175.510 0.079 0.000 1.024 163 N CA 1.640 54.763 53.050 0.122 0.000 0.852 163 N CB 0.036 38.612 38.487 0.149 0.000 1.003 163 N HN 0.089 nan 8.380 nan 0.000 0.424 164 T N -0.342 114.221 114.554 0.014 0.000 2.857 164 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 164 T C 1.273 176.029 174.700 0.092 0.000 1.048 164 T CA 0.926 63.024 62.100 -0.004 0.000 1.139 164 T CB -0.180 68.637 68.868 -0.085 0.000 0.874 164 T HN 0.289 nan 8.240 nan 0.000 0.455 165 H N 1.073 120.175 119.070 0.053 0.000 2.428 165 H HA 0.321 4.877 4.556 -0.000 0.000 0.296 165 H C 2.310 177.670 175.328 0.052 0.000 1.062 165 H CA 0.780 56.855 56.048 0.046 0.000 1.350 165 H CB -0.451 29.341 29.762 0.049 0.000 1.403 165 H HN 0.389 nan 8.280 nan 0.000 0.533 166 A N 0.190 123.128 122.820 0.197 0.000 2.218 166 A HA 0.034 4.354 4.320 -0.000 0.000 0.209 166 A C 1.334 179.005 177.584 0.145 0.000 1.168 166 A CA 0.267 52.399 52.037 0.159 0.000 0.804 166 A CB -0.171 18.928 19.000 0.164 0.000 0.834 166 A HN 0.230 nan 8.150 nan 0.000 0.482 167 S N 0.331 116.102 115.700 0.117 0.000 2.555 167 S HA 0.356 4.826 4.470 -0.000 0.000 0.293 167 S C 1.329 175.945 174.600 0.028 0.000 1.248 167 S CA 0.898 59.150 58.200 0.085 0.000 1.096 167 S CB -0.495 62.729 63.200 0.041 0.000 0.881 167 S HN 1.878 nan 8.310 nan 0.000 0.498 168 G N 2.957 111.767 108.800 0.016 0.000 2.148 168 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.254 168 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.254 168 G C 0.504 175.253 174.900 -0.252 0.000 0.981 168 G CA 0.268 45.164 45.100 -0.340 0.000 0.670 168 G HN 0.826 nan 8.290 nan 0.000 0.528 169 V N 0.424 120.385 119.914 0.077 0.000 2.735 169 V HA 0.424 4.544 4.120 -0.000 0.000 0.234 169 V C 1.379 177.660 176.094 0.310 0.000 1.121 169 V CA 1.646 64.023 62.300 0.129 0.000 1.160 169 V CB 0.054 31.933 31.823 0.094 0.000 0.908 169 V HN 0.641 nan 8.190 nan 0.000 0.495 170 I N -1.315 119.441 120.570 0.310 0.000 2.603 170 I HA 0.595 4.765 4.170 -0.000 0.000 0.300 170 I C -2.932 173.321 176.117 0.227 0.000 1.017 170 I CA -2.762 58.693 61.300 0.259 0.000 1.098 170 I CB 1.626 39.714 38.000 0.146 0.000 1.279 170 I HN 0.005 nan 8.210 nan 0.000 0.437 171 P HA 0.163 nan 4.420 nan 0.000 0.271 171 P C -1.409 175.898 177.300 0.010 0.000 1.216 171 P CA 0.020 62.978 63.100 -0.236 0.000 0.771 171 P CB 0.480 31.945 31.700 -0.391 0.000 0.864 172 Q N 2.674 122.522 119.800 0.080 0.000 2.325 172 Q HA 0.577 4.917 4.340 -0.000 0.000 0.270 172 Q C -0.707 175.373 176.000 0.133 0.000 1.020 172 Q CA -0.473 55.400 55.803 0.117 0.000 0.785 172 Q CB 1.600 30.428 28.738 0.150 0.000 1.259 172 Q HN 0.391 nan 8.270 nan 0.000 0.452 173 I N 0.746 121.389 120.570 0.122 0.000 2.466 173 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 173 I C -0.350 175.831 176.117 0.108 0.000 1.026 173 I CA -0.598 60.800 61.300 0.165 0.000 1.078 173 I CB 2.203 40.308 38.000 0.176 0.000 1.249 173 I HN 0.351 nan 8.210 nan 0.000 0.429 174 S N 5.937 121.724 115.700 0.146 0.000 2.433 174 S HA 0.495 4.965 4.470 -0.000 0.000 0.310 174 S C -0.563 174.097 174.600 0.101 0.000 1.097 174 S CA -0.438 57.823 58.200 0.101 0.000 1.103 174 S CB 1.147 64.433 63.200 0.142 0.000 0.992 174 S HN 0.427 nan 8.310 nan 0.000 0.469 175 L N 6.148 127.396 121.223 0.041 0.000 2.261 175 L HA 0.466 4.806 4.340 -0.000 0.000 0.289 175 L C -0.842 176.054 176.870 0.042 0.000 1.059 175 L CA -0.140 54.728 54.840 0.048 0.000 0.816 175 L CB 0.579 42.646 42.059 0.013 0.000 1.191 175 L HN 0.397 nan 8.230 nan 0.000 0.431 176 V N 6.882 126.826 119.914 0.050 0.000 2.353 176 V HA 0.218 4.338 4.120 -0.000 0.000 0.264 176 V C 0.835 176.930 176.094 0.002 0.000 1.049 176 V CA 0.168 62.489 62.300 0.034 0.000 0.896 176 V CB 0.879 32.723 31.823 0.035 0.000 1.025 176 V HN 0.776 nan 8.190 nan 0.000 0.475 177 V N 3.304 123.214 119.914 -0.005 0.000 2.868 177 V HA 0.519 4.639 4.120 -0.000 0.000 0.227 177 V C 1.510 177.562 176.094 -0.070 0.000 1.136 177 V CA 0.935 63.214 62.300 -0.036 0.000 1.206 177 V CB -1.169 30.639 31.823 -0.025 0.000 0.997 177 V HN 0.704 nan 8.190 nan 0.000 0.505 178 G N 2.431 111.193 108.800 -0.063 0.000 2.441 178 G HA2 0.368 4.328 3.960 -0.000 0.000 0.258 178 G HA3 0.368 4.328 3.960 -0.000 0.000 0.258 178 G C -2.375 172.493 174.900 -0.054 0.000 1.487 178 G CA -0.260 44.774 45.100 -0.111 0.000 1.058 178 G HN 0.563 nan 8.290 nan 0.000 0.552 179 P HA 0.337 nan 4.420 nan 0.000 0.282 179 P C -1.223 176.060 177.300 -0.028 0.000 1.259 179 P CA -0.391 62.716 63.100 0.011 0.000 0.826 179 P CB 1.789 33.518 31.700 0.048 0.000 1.064 180 C N 2.156 121.356 119.300 -0.167 0.000 2.781 180 C HA 0.756 5.216 4.460 -0.000 0.000 0.348 180 C C -0.772 173.927 174.990 -0.486 0.000 1.051 180 C CA -0.017 58.888 59.018 -0.188 0.000 1.347 180 C CB -0.623 27.065 27.740 -0.087 0.000 1.846 180 C HN 0.673 nan 8.230 nan 0.000 0.473 181 A N 4.651 127.206 122.820 -0.442 0.000 2.359 181 A HA 0.955 5.275 4.320 -0.000 0.000 0.303 181 A C 0.264 177.684 177.584 -0.273 0.000 1.066 181 A CA 0.640 52.313 52.037 -0.606 0.000 0.730 181 A CB 0.864 19.546 19.000 -0.529 0.000 1.211 181 A HN 2.667 nan 8.150 nan 0.000 0.439 182 G N 0.962 109.616 108.800 -0.243 0.000 2.728 182 G HA2 0.276 4.236 3.960 -0.000 0.000 0.294 182 G HA3 0.276 4.236 3.960 -0.000 0.000 0.294 182 G C 1.136 175.808 174.900 -0.380 0.000 1.342 182 G CA 0.248 45.222 45.100 -0.210 0.000 0.866 182 G HN 2.109 nan 8.290 nan 0.000 0.534 183 G N -0.164 108.415 108.800 -0.369 0.000 2.773 183 G HA2 0.066 4.026 3.960 -0.000 0.000 0.224 183 G HA3 0.066 4.026 3.960 -0.000 0.000 0.224 183 G C 2.093 176.741 174.900 -0.420 0.000 1.078 183 G CA 3.083 47.933 45.100 -0.417 0.000 0.724 183 G HN 2.168 nan 8.290 nan 0.000 0.620 184 A N 0.467 122.997 122.820 -0.484 0.000 1.978 184 A HA 0.007 4.327 4.320 -0.000 0.000 0.220 184 A C 2.601 180.145 177.584 -0.068 0.000 1.170 184 A CA 2.190 54.097 52.037 -0.217 0.000 0.636 184 A CB -0.710 18.270 19.000 -0.034 0.000 0.810 184 A HN 1.101 nan 8.150 nan 0.000 0.448 185 V N -4.031 115.716 119.914 -0.279 0.000 3.330 185 V HA -0.132 3.988 4.120 -0.000 0.000 0.273 185 V C 1.784 177.777 176.094 -0.169 0.000 1.179 185 V CA 1.386 63.546 62.300 -0.234 0.000 1.174 185 V CB -1.458 30.168 31.823 -0.329 0.000 0.794 185 V HN 0.496 nan 8.190 nan 0.000 0.527 186 Y N 0.608 120.800 120.300 -0.180 0.000 2.448 186 Y HA 0.172 4.721 4.550 -0.000 0.000 0.289 186 Y C 2.914 178.631 175.900 -0.304 0.000 1.114 186 Y CA 0.596 58.471 58.100 -0.375 0.000 1.235 186 Y CB -0.553 37.434 38.460 -0.788 0.000 1.045 186 Y HN 0.401 nan 8.280 nan 0.000 0.554 187 S N 0.355 116.126 115.700 0.118 0.000 2.345 187 S HA -0.083 4.387 4.470 -0.000 0.000 0.220 187 S C -0.510 174.196 174.600 0.177 0.000 1.031 187 S CA 1.267 59.616 58.200 0.249 0.000 0.996 187 S CB -1.074 62.391 63.200 0.442 0.000 0.882 187 S HN 0.165 nan 8.310 nan 0.000 0.445 188 P HA 0.023 nan 4.420 nan 0.000 0.216 188 P C 1.446 178.798 177.300 0.086 0.000 1.150 188 P CA 1.523 64.703 63.100 0.133 0.000 0.837 188 P CB -0.288 31.473 31.700 0.102 0.000 0.786 189 A N -0.694 122.156 122.820 0.050 0.000 1.986 189 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 189 A C 2.088 179.682 177.584 0.016 0.000 1.171 189 A CA 1.572 53.621 52.037 0.020 0.000 0.640 189 A CB -1.523 17.504 19.000 0.045 0.000 0.811 189 A HN 0.192 nan 8.150 nan 0.000 0.451 190 I N -0.043 120.540 120.570 0.021 0.000 3.427 190 I HA -0.029 4.141 4.170 -0.000 0.000 0.288 190 I C 1.365 177.509 176.117 0.045 0.000 1.249 190 I CA 0.558 61.862 61.300 0.007 0.000 1.421 190 I CB -0.343 37.648 38.000 -0.016 0.000 1.086 190 I HN 0.398 nan 8.210 nan 0.000 0.448 191 T N -1.857 112.747 114.554 0.083 0.000 2.802 191 T HA 0.005 4.355 4.350 -0.000 0.000 0.305 191 T C 0.936 175.660 174.700 0.039 0.000 1.053 191 T CA -0.365 61.793 62.100 0.096 0.000 1.058 191 T CB 0.989 69.941 68.868 0.141 0.000 0.988 191 T HN 0.079 nan 8.240 nan 0.000 0.539 192 D N 0.084 120.479 120.400 -0.009 0.000 2.144 192 D HA 0.059 4.699 4.640 -0.000 0.000 0.200 192 D C -0.046 175.827 176.300 -0.712 0.000 0.978 192 D CA 1.348 55.172 54.000 -0.293 0.000 0.833 192 D CB -0.012 40.678 40.800 -0.184 0.000 0.961 192 D HN 0.498 nan 8.370 nan 0.000 0.470 193 F N -0.372 119.609 119.950 0.051 0.000 2.581 193 F HA 0.292 4.819 4.527 -0.000 0.000 0.311 193 F C -0.167 175.791 175.800 0.263 0.000 1.113 193 F CA -0.769 57.232 58.000 0.003 0.000 0.935 193 F CB 2.297 41.301 39.000 0.007 0.000 1.232 193 F HN -0.485 nan 8.300 nan 0.000 0.445 194 T N 2.755 117.738 114.554 0.715 0.000 2.812 194 T HA 0.658 5.008 4.350 -0.000 0.000 0.282 194 T C -1.022 173.880 174.700 0.336 0.000 0.990 194 T CA -0.624 61.711 62.100 0.392 0.000 0.960 194 T CB 1.615 70.617 68.868 0.223 0.000 0.948 194 T HN 0.280 nan 8.240 nan 0.000 0.438 195 V N 4.837 124.887 119.914 0.226 0.000 2.409 195 V HA 0.542 4.662 4.120 -0.000 0.000 0.291 195 V C -0.155 175.978 176.094 0.064 0.000 1.020 195 V CA -0.740 61.648 62.300 0.147 0.000 0.848 195 V CB 1.429 33.366 31.823 0.189 0.000 0.990 195 V HN 0.847 nan 8.190 nan 0.000 0.430 196 M N 3.660 123.255 119.600 -0.009 0.000 2.705 196 M HA 0.691 5.171 4.480 -0.000 0.000 0.311 196 M C -1.032 175.212 176.300 -0.092 0.000 1.214 196 M CA -0.979 54.296 55.300 -0.041 0.000 0.920 196 M CB 2.462 35.041 32.600 -0.036 0.000 1.687 196 M HN 0.349 nan 8.290 nan 0.000 0.481 197 V N 0.494 120.352 119.914 -0.093 0.000 2.495 197 V HA 0.181 4.301 4.120 -0.000 0.000 0.298 197 V C -0.420 175.600 176.094 -0.123 0.000 1.031 197 V CA -0.835 61.404 62.300 -0.101 0.000 0.871 197 V CB 1.690 33.471 31.823 -0.069 0.000 0.988 197 V HN 0.736 nan 8.190 nan 0.000 0.432 198 D N 4.286 124.619 120.400 -0.112 0.000 2.586 198 D HA -0.039 4.601 4.640 -0.000 0.000 0.234 198 D C 1.082 177.326 176.300 -0.094 0.000 1.132 198 D CA 1.061 55.004 54.000 -0.096 0.000 0.860 198 D CB 0.591 41.349 40.800 -0.070 0.000 1.159 198 D HN 0.656 nan 8.370 nan 0.000 0.490 199 Q N 1.282 121.023 119.800 -0.099 0.000 2.217 199 Q HA -0.229 4.110 4.340 -0.000 0.000 0.170 199 Q C 0.695 176.624 176.000 -0.118 0.000 0.597 199 Q CA 2.057 57.826 55.803 -0.056 0.000 1.426 199 Q CB -2.073 26.663 28.738 -0.003 0.000 1.504 199 Q HN 0.698 nan 8.270 nan 0.000 0.860 200 T N -1.196 113.248 114.554 -0.184 0.000 3.228 200 T HA 0.390 4.740 4.350 -0.000 0.000 0.278 200 T C 0.219 174.772 174.700 -0.246 0.000 1.014 200 T CA 0.482 62.479 62.100 -0.171 0.000 0.904 200 T CB 0.349 69.150 68.868 -0.111 0.000 1.110 200 T HN 0.349 nan 8.240 nan 0.000 0.541 201 S N 0.964 116.386 115.700 -0.464 0.000 2.563 201 S HA 0.567 5.037 4.470 -0.000 0.000 0.279 201 S C -1.746 172.512 174.600 -0.571 0.000 1.155 201 S CA -0.945 57.036 58.200 -0.364 0.000 0.928 201 S CB 1.494 64.585 63.200 -0.182 0.000 1.107 201 S HN 0.317 nan 8.310 nan 0.000 0.462 202 H N 2.189 121.316 119.070 0.095 0.000 2.954 202 H HA 0.510 5.066 4.556 -0.000 0.000 0.361 202 H C -1.088 174.354 175.328 0.189 0.000 1.122 202 H CA -0.609 55.574 56.048 0.225 0.000 1.217 202 H CB 1.837 31.826 29.762 0.379 0.000 1.776 202 H HN 0.658 nan 8.280 nan 0.000 0.533 203 M N 3.342 123.202 119.600 0.433 0.000 2.456 203 M HA 0.554 5.034 4.480 -0.000 0.000 0.324 203 M C -1.290 175.268 176.300 0.430 0.000 1.124 203 M CA -0.834 54.584 55.300 0.196 0.000 0.959 203 M CB 2.012 34.687 32.600 0.125 0.000 1.692 203 M HN 0.496 nan 8.290 nan 0.000 0.444 204 F N -0.219 119.823 119.950 0.153 0.000 2.660 204 F HA 0.360 4.887 4.527 -0.000 0.000 0.320 204 F C -0.300 175.499 175.800 -0.001 0.000 1.099 204 F CA -1.277 56.784 58.000 0.101 0.000 1.061 204 F CB -0.130 38.942 39.000 0.121 0.000 1.300 204 F HN 0.452 nan 8.300 nan 0.000 0.479 205 I N -0.064 120.553 120.570 0.079 0.000 2.202 205 I HA 0.060 4.230 4.170 -0.000 0.000 0.242 205 I C 1.117 177.284 176.117 0.084 0.000 1.091 205 I CA 1.415 62.686 61.300 -0.048 0.000 1.368 205 I CB -1.090 36.855 38.000 -0.091 0.000 1.058 205 I HN 0.747 nan 8.210 nan 0.000 0.410 206 T N -1.095 113.564 114.554 0.175 0.000 2.887 206 T HA 0.789 5.138 4.350 -0.000 0.000 0.288 206 T C 0.040 174.855 174.700 0.192 0.000 1.021 206 T CA -0.463 61.733 62.100 0.161 0.000 1.000 206 T CB 1.613 70.523 68.868 0.070 0.000 1.034 206 T HN 0.326 nan 8.240 nan 0.000 0.467 207 G N 1.528 110.403 108.800 0.124 0.000 2.477 207 G HA2 0.545 4.505 3.960 -0.000 0.000 0.304 207 G HA3 0.545 4.505 3.960 -0.000 0.000 0.304 207 G C -1.337 173.452 174.900 -0.186 0.000 1.175 207 G CA -1.892 43.169 45.100 -0.065 0.000 0.907 207 G HN 0.552 nan 8.290 nan 0.000 0.509 208 P HA -0.168 nan 4.420 nan 0.000 0.215 208 P C 1.065 178.230 177.300 -0.224 0.000 1.157 208 P CA 1.879 64.765 63.100 -0.358 0.000 0.868 208 P CB 0.039 31.387 31.700 -0.586 0.000 0.788 209 D N 0.098 120.380 120.400 -0.196 0.000 2.178 209 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 209 D C 1.689 177.946 176.300 -0.073 0.000 0.980 209 D CA 1.064 54.995 54.000 -0.116 0.000 0.842 209 D CB -1.300 39.456 40.800 -0.075 0.000 0.948 209 D HN 0.099 nan 8.370 nan 0.000 0.472 210 V N 0.268 120.146 119.914 -0.060 0.000 2.515 210 V HA -0.152 3.968 4.120 -0.000 0.000 0.250 210 V C 2.542 178.610 176.094 -0.042 0.000 1.058 210 V CA 1.053 63.333 62.300 -0.033 0.000 1.064 210 V CB -0.709 31.109 31.823 -0.009 0.000 0.675 210 V HN 0.253 nan 8.190 nan 0.000 0.461 211 I N 1.248 121.778 120.570 -0.066 0.000 2.202 211 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 211 I C 2.713 178.794 176.117 -0.060 0.000 1.091 211 I CA 2.134 63.396 61.300 -0.063 0.000 1.368 211 I CB -0.430 37.518 38.000 -0.086 0.000 1.058 211 I HN 0.404 nan 8.210 nan 0.000 0.410 212 K N 0.566 120.922 120.400 -0.074 0.000 2.002 212 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 212 K C 1.975 178.549 176.600 -0.043 0.000 1.048 212 K CA 1.974 58.224 56.287 -0.061 0.000 0.930 212 K CB -1.070 31.387 32.500 -0.072 0.000 0.714 212 K HN 0.070 nan 8.250 nan 0.000 0.438 213 T N 1.211 115.741 114.554 -0.041 0.000 2.594 213 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 213 T C 1.994 176.680 174.700 -0.022 0.000 1.070 213 T CA 2.261 64.344 62.100 -0.028 0.000 1.166 213 T CB -0.330 68.523 68.868 -0.024 0.000 0.862 213 T HN 0.150 nan 8.240 nan 0.000 0.436 214 V N 0.956 120.857 119.914 -0.022 0.000 2.599 214 V HA -0.027 4.093 4.120 -0.000 0.000 0.245 214 V C 2.684 178.767 176.094 -0.017 0.000 1.046 214 V CA 1.830 64.121 62.300 -0.016 0.000 1.065 214 V CB -0.564 31.253 31.823 -0.012 0.000 0.703 214 V HN 0.747 nan 8.190 nan 0.000 0.464 215 T N -4.128 110.412 114.554 -0.023 0.000 3.000 215 T HA 0.450 4.800 4.350 -0.000 0.000 0.248 215 T C 1.588 176.273 174.700 -0.025 0.000 1.034 215 T CA 1.224 63.311 62.100 -0.022 0.000 1.060 215 T CB 1.139 69.993 68.868 -0.024 0.000 0.983 215 T HN 0.775 nan 8.240 nan 0.000 0.482 216 G N 2.448 111.230 108.800 -0.031 0.000 2.490 216 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.214 216 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.214 216 G C 0.098 174.974 174.900 -0.040 0.000 1.151 216 G CA 0.028 45.108 45.100 -0.032 0.000 0.684 216 G HN 1.013 nan 8.290 nan 0.000 0.518 217 E N 2.125 122.301 120.200 -0.041 0.000 2.459 217 E HA 0.276 4.626 4.350 -0.000 0.000 0.264 217 E C -1.060 175.500 176.600 -0.066 0.000 1.055 217 E CA 0.573 56.944 56.400 -0.048 0.000 0.957 217 E CB 0.645 30.318 29.700 -0.044 0.000 0.952 217 E HN 0.445 nan 8.360 nan 0.000 0.448 218 D N 1.203 121.560 120.400 -0.071 0.000 2.198 218 D HA 0.498 5.138 4.640 -0.000 0.000 0.247 218 D C -0.906 175.327 176.300 -0.112 0.000 1.010 218 D CA -0.569 53.376 54.000 -0.093 0.000 0.880 218 D CB 2.280 43.032 40.800 -0.079 0.000 1.209 218 D HN 0.261 nan 8.370 nan 0.000 0.451 219 V N 0.249 120.069 119.914 -0.157 0.000 3.098 219 V HA 0.578 4.698 4.120 -0.000 0.000 0.294 219 V C -0.796 175.134 176.094 -0.274 0.000 1.351 219 V CA -0.505 61.684 62.300 -0.185 0.000 0.999 219 V CB 2.160 33.875 31.823 -0.181 0.000 1.104 219 V HN 0.621 nan 8.190 nan 0.000 0.438 220 G N 2.867 111.517 108.800 -0.250 0.000 2.410 220 G HA2 0.514 4.474 3.960 -0.000 0.000 0.330 220 G HA3 0.514 4.474 3.960 -0.000 0.000 0.330 220 G C 0.190 174.875 174.900 -0.358 0.000 1.142 220 G CA -0.365 44.546 45.100 -0.315 0.000 0.902 220 G HN 0.680 nan 8.290 nan 0.000 0.491 221 F N 0.384 120.128 119.950 -0.344 0.000 2.063 221 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 221 F C 2.596 178.095 175.800 -0.500 0.000 1.099 221 F CA 2.118 59.786 58.000 -0.555 0.000 1.220 221 F CB -0.322 38.235 39.000 -0.737 0.000 0.972 221 F HN 0.565 nan 8.300 nan 0.000 0.487 222 E N 0.615 120.722 120.200 -0.155 0.000 2.049 222 E HA -0.276 4.074 4.350 -0.000 0.000 0.198 222 E C 2.121 178.720 176.600 -0.003 0.000 1.007 222 E CA 1.946 58.370 56.400 0.039 0.000 0.809 222 E CB -0.501 29.252 29.700 0.088 0.000 0.749 222 E HN 0.534 nan 8.360 nan 0.000 0.450 223 E N -0.693 119.471 120.200 -0.059 0.000 2.204 223 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 223 E C 2.031 178.574 176.600 -0.095 0.000 0.989 223 E CA 0.876 57.236 56.400 -0.066 0.000 0.824 223 E CB -0.122 29.535 29.700 -0.072 0.000 0.756 223 E HN 0.316 nan 8.360 nan 0.000 0.477 224 L N -0.327 120.815 121.223 -0.136 0.000 2.007 224 L HA 0.124 4.463 4.340 -0.000 0.000 0.205 224 L C 1.514 178.294 176.870 -0.150 0.000 1.073 224 L CA 2.274 57.026 54.840 -0.146 0.000 0.744 224 L CB 0.005 41.929 42.059 -0.225 0.000 0.898 224 L HN 0.128 nan 8.230 nan 0.000 0.435 225 G N -0.893 107.824 108.800 -0.140 0.000 5.252 225 G HA2 0.421 4.381 3.960 -0.000 0.000 0.214 225 G HA3 0.421 4.381 3.960 -0.000 0.000 0.214 225 G C 0.221 175.091 174.900 -0.050 0.000 0.817 225 G CA 0.031 44.902 45.100 -0.382 0.000 0.715 225 G HN 0.619 nan 8.290 nan 0.000 0.480 226 G N -0.482 108.389 108.800 0.119 0.000 2.651 226 G HA2 0.520 4.480 3.960 -0.000 0.000 0.260 226 G HA3 0.520 4.480 3.960 -0.000 0.000 0.260 226 G C 1.385 176.306 174.900 0.035 0.000 1.216 226 G CA 0.382 45.681 45.100 0.331 0.000 0.913 226 G HN 0.715 nan 8.290 nan 0.000 0.535 227 A N 0.384 123.175 122.820 -0.048 0.000 1.884 227 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 227 A C 2.363 179.928 177.584 -0.031 0.000 1.197 227 A CA 2.402 54.408 52.037 -0.052 0.000 0.637 227 A CB -0.614 18.320 19.000 -0.109 0.000 0.827 227 A HN 0.728 nan 8.150 nan 0.000 0.450 228 R N -0.842 119.639 120.500 -0.032 0.000 2.073 228 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 228 R C 2.467 178.757 176.300 -0.015 0.000 1.134 228 R CA 2.484 58.569 56.100 -0.025 0.000 0.952 228 R CB -0.798 29.492 30.300 -0.016 0.000 0.850 228 R HN 0.617 nan 8.270 nan 0.000 0.433 229 T N -1.400 113.131 114.554 -0.038 0.000 2.746 229 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 229 T C 1.566 176.245 174.700 -0.034 0.000 1.039 229 T CA 1.857 63.921 62.100 -0.059 0.000 1.142 229 T CB -0.453 68.345 68.868 -0.117 0.000 0.866 229 T HN 0.598 nan 8.240 nan 0.000 0.444 230 H N -0.045 119.008 119.070 -0.029 0.000 2.524 230 H HA 0.215 4.771 4.556 -0.000 0.000 0.282 230 H C 2.331 177.574 175.328 -0.143 0.000 1.016 230 H CA 0.649 56.645 56.048 -0.088 0.000 1.270 230 H CB 0.162 29.889 29.762 -0.058 0.000 1.394 230 H HN 0.408 nan 8.280 nan 0.000 0.568 231 N N -0.321 118.390 118.700 0.019 0.000 2.409 231 N HA -0.061 4.679 4.740 -0.000 0.000 0.174 231 N C 1.525 177.061 175.510 0.043 0.000 1.037 231 N CA 1.068 54.108 53.050 -0.015 0.000 0.898 231 N CB 0.474 38.939 38.487 -0.038 0.000 1.010 231 N HN 0.338 nan 8.380 nan 0.000 0.445 232 S N -1.733 114.004 115.700 0.062 0.000 2.575 232 S HA 0.153 4.623 4.470 -0.000 0.000 0.230 232 S C 1.608 176.340 174.600 0.220 0.000 1.062 232 S CA 0.086 58.374 58.200 0.147 0.000 0.913 232 S CB 0.496 63.749 63.200 0.089 0.000 0.837 232 S HN -0.029 nan 8.310 nan 0.000 0.487 233 T N 2.073 116.693 114.554 0.110 0.000 3.038 233 T HA 0.199 4.549 4.350 -0.000 0.000 0.244 233 T C 1.851 176.587 174.700 0.061 0.000 1.016 233 T CA 0.898 63.069 62.100 0.117 0.000 1.098 233 T CB 0.125 69.028 68.868 0.058 0.000 0.954 233 T HN 0.593 nan 8.240 nan 0.000 0.469 234 S N 0.203 115.850 115.700 -0.089 0.000 2.512 234 S HA 0.431 4.901 4.470 -0.000 0.000 0.216 234 S C 1.866 176.148 174.600 -0.530 0.000 1.006 234 S CA 0.580 58.694 58.200 -0.144 0.000 0.915 234 S CB 0.150 63.404 63.200 0.090 0.000 0.824 234 S HN 0.653 nan 8.310 nan 0.000 0.497 235 G N 1.087 109.216 108.800 -1.118 0.000 2.166 235 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.260 235 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.260 235 G C 0.726 175.205 174.900 -0.702 0.000 0.986 235 G CA 0.474 44.574 45.100 -1.666 0.000 0.683 235 G HN 0.604 nan 8.290 nan 0.000 0.527 236 V N 0.062 119.691 119.914 -0.475 0.000 2.407 236 V HA 0.356 4.476 4.120 -0.000 0.000 0.245 236 V C 2.006 177.861 176.094 -0.399 0.000 1.041 236 V CA 2.158 64.219 62.300 -0.399 0.000 1.040 236 V CB -0.397 31.106 31.823 -0.533 0.000 0.671 236 V HN 1.151 nan 8.190 nan 0.000 0.455 237 A N -1.312 121.315 122.820 -0.323 0.000 2.306 237 A HA 0.542 4.862 4.320 -0.000 0.000 0.330 237 A C 0.303 177.727 177.584 -0.267 0.000 1.146 237 A CA -0.320 51.580 52.037 -0.230 0.000 0.827 237 A CB 0.336 19.299 19.000 -0.062 0.000 1.178 237 A HN 0.537 nan 8.150 nan 0.000 0.490 238 H N -0.393 118.755 119.070 0.130 0.000 2.592 238 H HA 0.224 4.780 4.556 -0.000 0.000 0.265 238 H C 0.285 175.705 175.328 0.153 0.000 0.955 238 H CA 1.110 57.282 56.048 0.206 0.000 1.175 238 H CB 0.260 30.273 29.762 0.418 0.000 1.433 238 H HN 0.709 nan 8.280 nan 0.000 0.537 239 H N -0.208 118.855 119.070 -0.011 0.000 3.094 239 H HA 0.235 4.791 4.556 -0.000 0.000 0.335 239 H C -1.754 173.443 175.328 -0.220 0.000 1.254 239 H CA -0.807 55.096 56.048 -0.242 0.000 1.240 239 H CB 1.472 30.769 29.762 -0.774 0.000 1.936 239 H HN 0.170 nan 8.280 nan 0.000 0.536 240 M N 3.957 122.935 119.600 -1.037 0.000 2.190 240 M HA 0.661 5.141 4.480 -0.000 0.000 0.312 240 M C -1.357 174.377 176.300 -0.944 0.000 0.990 240 M CA -0.448 54.422 55.300 -0.716 0.000 0.927 240 M CB 1.233 33.620 32.600 -0.354 0.000 1.571 240 M HN 0.601 nan 8.290 nan 0.000 0.427 241 A N 3.097 125.631 122.820 -0.477 0.000 2.269 241 A HA 0.743 5.063 4.320 -0.000 0.000 0.319 241 A C 0.814 178.339 177.584 -0.099 0.000 1.110 241 A CA -0.225 51.719 52.037 -0.154 0.000 0.847 241 A CB 0.901 19.935 19.000 0.057 0.000 1.161 241 A HN 1.064 nan 8.150 nan 0.000 0.497 242 G N -0.442 108.340 108.800 -0.030 0.000 2.453 242 G HA2 0.289 4.249 3.960 -0.000 0.000 0.215 242 G HA3 0.289 4.249 3.960 -0.000 0.000 0.215 242 G C 0.235 175.125 174.900 -0.017 0.000 1.147 242 G CA 1.274 46.359 45.100 -0.025 0.000 0.802 242 G HN 0.933 nan 8.290 nan 0.000 0.535 243 D N -2.185 118.216 120.400 0.000 0.000 2.812 243 D HA 0.170 4.810 4.640 -0.000 0.000 0.318 243 D C 0.803 177.110 176.300 0.013 0.000 1.234 243 D CA -0.621 53.379 54.000 0.001 0.000 0.989 243 D CB 0.084 40.888 40.800 0.008 0.000 1.442 243 D HN -0.054 nan 8.370 nan 0.000 0.537 244 E N 0.250 120.457 120.200 0.012 0.000 2.051 244 E HA -0.190 4.159 4.350 -0.000 0.000 0.192 244 E C 1.770 178.391 176.600 0.035 0.000 0.991 244 E CA 1.222 57.633 56.400 0.018 0.000 0.799 244 E CB -0.206 29.501 29.700 0.012 0.000 0.748 244 E HN 0.642 nan 8.360 nan 0.000 0.449 245 K N 1.416 121.836 120.400 0.033 0.000 2.113 245 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 245 K C 1.256 177.896 176.600 0.066 0.000 1.047 245 K CA 1.901 58.212 56.287 0.039 0.000 0.928 245 K CB -0.128 32.390 32.500 0.030 0.000 0.716 245 K HN -0.104 nan 8.250 nan 0.000 0.446 246 D N 1.278 121.725 120.400 0.078 0.000 2.084 246 D HA -0.094 4.546 4.640 -0.000 0.000 0.194 246 D C 2.038 178.445 176.300 0.178 0.000 0.990 246 D CA 1.882 55.957 54.000 0.125 0.000 0.826 246 D CB -0.358 40.513 40.800 0.118 0.000 0.971 246 D HN 0.418 nan 8.370 nan 0.000 0.453 247 A N 0.520 123.428 122.820 0.147 0.000 1.858 247 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 247 A C 2.537 180.228 177.584 0.178 0.000 1.190 247 A CA 1.534 53.673 52.037 0.171 0.000 0.617 247 A CB -0.937 18.121 19.000 0.096 0.000 0.827 247 A HN 0.140 nan 8.150 nan 0.000 0.443 248 V N 0.394 120.372 119.914 0.107 0.000 2.332 248 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 248 V C 2.627 178.767 176.094 0.078 0.000 1.055 248 V CA 2.561 64.905 62.300 0.073 0.000 1.038 248 V CB -0.769 31.073 31.823 0.031 0.000 0.651 248 V HN 0.805 nan 8.190 nan 0.000 0.450 249 E N -0.502 119.754 120.200 0.094 0.000 2.208 249 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 249 E C 1.972 178.633 176.600 0.102 0.000 0.988 249 E CA 1.297 57.740 56.400 0.072 0.000 0.828 249 E CB -0.479 29.264 29.700 0.072 0.000 0.763 249 E HN 0.711 nan 8.360 nan 0.000 0.478 250 Y N 0.163 120.495 120.300 0.054 0.000 2.314 250 Y HA -0.094 4.456 4.550 -0.000 0.000 0.293 250 Y C 1.963 177.917 175.900 0.090 0.000 1.129 250 Y CA 1.535 59.688 58.100 0.089 0.000 1.201 250 Y CB 0.108 38.549 38.460 -0.030 0.000 0.999 250 Y HN 0.104 nan 8.280 nan 0.000 0.541 251 V N -1.827 118.199 119.914 0.188 0.000 2.453 251 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 251 V C 2.034 178.098 176.094 -0.051 0.000 1.048 251 V CA 1.727 64.078 62.300 0.085 0.000 1.049 251 V CB -0.750 31.133 31.823 0.101 0.000 0.672 251 V HN 0.207 nan 8.190 nan 0.000 0.457 252 K N 0.270 120.633 120.400 -0.060 0.000 2.009 252 K HA -0.257 4.063 4.320 -0.000 0.000 0.210 252 K C 2.407 178.871 176.600 -0.227 0.000 1.049 252 K CA 2.128 58.345 56.287 -0.117 0.000 0.929 252 K CB -0.389 32.057 32.500 -0.091 0.000 0.714 252 K HN 0.443 nan 8.250 nan 0.000 0.440 253 Q N 1.111 120.741 119.800 -0.283 0.000 2.152 253 Q HA -0.175 4.165 4.340 -0.000 0.000 0.206 253 Q C 1.890 177.505 176.000 -0.641 0.000 0.985 253 Q CA 1.307 56.800 55.803 -0.518 0.000 0.863 253 Q CB -0.240 28.155 28.738 -0.572 0.000 0.904 253 Q HN 0.164 nan 8.270 nan 0.000 0.422 254 L N -0.449 120.486 121.223 -0.480 0.000 1.988 254 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 254 L C 2.045 178.733 176.870 -0.304 0.000 1.071 254 L CA 1.673 56.300 54.840 -0.355 0.000 0.744 254 L CB -0.909 41.014 42.059 -0.226 0.000 0.893 254 L HN 0.355 nan 8.230 nan 0.000 0.433 255 L N -0.547 120.534 121.223 -0.236 0.000 2.137 255 L HA -0.287 4.053 4.340 -0.000 0.000 0.213 255 L C 2.532 179.247 176.870 -0.257 0.000 1.085 255 L CA 1.655 56.369 54.840 -0.210 0.000 0.760 255 L CB -0.853 41.118 42.059 -0.146 0.000 0.893 255 L HN 0.533 nan 8.230 nan 0.000 0.434 256 S N -1.733 113.758 115.700 -0.348 0.000 2.515 256 S HA -0.131 4.339 4.470 -0.000 0.000 0.231 256 S C 1.607 175.912 174.600 -0.492 0.000 0.987 256 S CA 0.461 58.423 58.200 -0.397 0.000 0.936 256 S CB -0.402 62.507 63.200 -0.486 0.000 0.766 256 S HN 0.441 nan 8.310 nan 0.000 0.528 257 Y N 1.161 121.210 120.300 -0.418 0.000 2.500 257 Y HA 0.509 5.059 4.550 -0.000 0.000 0.270 257 Y C 0.721 176.360 175.900 -0.436 0.000 1.134 257 Y CA -0.273 57.535 58.100 -0.488 0.000 1.293 257 Y CB 0.154 38.091 38.460 -0.872 0.000 1.063 257 Y HN 0.210 nan 8.280 nan 0.000 0.534 258 L N 2.154 123.223 121.223 -0.257 0.000 2.346 258 L HA 0.440 4.780 4.340 -0.000 0.000 0.274 258 L C -2.352 174.419 176.870 -0.166 0.000 1.007 258 L CA -2.276 52.423 54.840 -0.235 0.000 0.818 258 L CB 2.118 43.986 42.059 -0.318 0.000 1.284 258 L HN -0.221 nan 8.230 nan 0.000 0.424 259 P HA 0.173 nan 4.420 nan 0.000 0.277 259 P C -0.003 177.252 177.300 -0.076 0.000 1.271 259 P CA -0.457 62.608 63.100 -0.057 0.000 0.795 259 P CB 0.985 32.695 31.700 0.017 0.000 1.101 260 S N -0.302 115.375 115.700 -0.039 0.000 2.428 260 S HA -0.075 4.395 4.470 -0.000 0.000 0.230 260 S C 0.886 175.490 174.600 0.007 0.000 1.014 260 S CA 1.115 59.299 58.200 -0.027 0.000 0.957 260 S CB -0.805 62.388 63.200 -0.012 0.000 0.784 260 S HN 0.770 nan 8.310 nan 0.000 0.499 261 N N 0.213 118.942 118.700 0.049 0.000 3.277 261 N HA 0.193 4.933 4.740 -0.000 0.000 0.278 261 N C -0.522 175.103 175.510 0.191 0.000 1.544 261 N CA -0.596 52.531 53.050 0.128 0.000 0.869 261 N CB 0.043 38.583 38.487 0.087 0.000 1.584 261 N HN -0.059 nan 8.380 nan 0.000 0.564 262 N N -0.423 118.406 118.700 0.215 0.000 2.461 262 N HA 0.055 4.795 4.740 -0.000 0.000 0.188 262 N C 0.315 175.873 175.510 0.079 0.000 1.134 262 N CA 0.459 53.612 53.050 0.172 0.000 0.878 262 N CB -0.209 38.311 38.487 0.054 0.000 0.972 262 N HN 0.650 nan 8.380 nan 0.000 0.456 263 L N -0.548 120.713 121.223 0.062 0.000 2.513 263 L HA 0.225 4.565 4.340 -0.000 0.000 0.222 263 L C 0.214 177.101 176.870 0.028 0.000 1.096 263 L CA 0.045 54.904 54.840 0.032 0.000 0.857 263 L CB 0.035 42.105 42.059 0.017 0.000 1.026 263 L HN -0.006 nan 8.230 nan 0.000 0.469 264 S N -0.152 115.571 115.700 0.037 0.000 2.608 264 S HA 0.316 4.786 4.470 -0.000 0.000 0.291 264 S C -0.195 174.427 174.600 0.036 0.000 1.146 264 S CA -0.852 57.362 58.200 0.023 0.000 1.043 264 S CB 1.429 64.635 63.200 0.010 0.000 1.037 264 S HN 0.180 nan 8.310 nan 0.000 0.520 265 E N 0.766 120.979 120.200 0.021 0.000 2.342 265 E HA 0.368 4.718 4.350 -0.000 0.000 0.257 265 E C -2.869 173.741 176.600 0.017 0.000 1.150 265 E CA -2.252 54.165 56.400 0.028 0.000 0.926 265 E CB -0.568 29.144 29.700 0.020 0.000 1.074 265 E HN 0.172 nan 8.360 nan 0.000 0.449 266 P HA 0.070 nan 4.420 nan 0.000 0.264 266 P C -2.298 174.991 177.300 -0.018 0.000 1.193 266 P CA -0.830 62.275 63.100 0.008 0.000 0.763 266 P CB -0.233 31.490 31.700 0.039 0.000 0.810 267 P HA 0.165 nan 4.420 nan 0.000 0.267 267 P C -0.931 176.327 177.300 -0.071 0.000 1.200 267 P CA 0.270 63.317 63.100 -0.089 0.000 0.772 267 P CB 0.607 32.249 31.700 -0.097 0.000 0.855 268 A N 2.298 125.026 122.820 -0.154 0.000 2.498 268 A HA 0.713 5.033 4.320 -0.000 0.000 0.298 268 A C -1.489 175.937 177.584 -0.264 0.000 1.075 268 A CA -0.543 51.449 52.037 -0.075 0.000 0.714 268 A CB 1.050 20.031 19.000 -0.032 0.000 1.299 268 A HN 0.330 nan 8.150 nan 0.000 0.407 269 F N 1.561 121.491 119.950 -0.033 0.000 2.451 269 F HA 0.382 4.909 4.527 -0.000 0.000 0.367 269 F C -2.359 173.435 175.800 -0.010 0.000 1.100 269 F CA -2.040 55.944 58.000 -0.028 0.000 1.171 269 F CB 1.530 40.505 39.000 -0.041 0.000 1.405 269 F HN 0.235 nan 8.300 nan 0.000 0.482 270 P HA 0.038 nan 4.420 nan 0.000 0.261 270 P C -0.704 176.644 177.300 0.081 0.000 1.183 270 P CA 0.484 63.624 63.100 0.067 0.000 0.761 270 P CB 0.541 32.257 31.700 0.026 0.000 0.785 271 E N 1.708 121.953 120.200 0.075 0.000 2.293 271 E HA 0.246 4.596 4.350 -0.000 0.000 0.270 271 E C -0.545 176.085 176.600 0.051 0.000 0.879 271 E CA -0.890 55.547 56.400 0.063 0.000 0.756 271 E CB 1.680 31.420 29.700 0.067 0.000 1.208 271 E HN 0.352 nan 8.360 nan 0.000 0.428 272 E N 1.070 121.295 120.200 0.041 0.000 2.354 272 E HA 0.347 4.697 4.350 -0.000 0.000 0.269 272 E C -0.723 175.899 176.600 0.036 0.000 1.036 272 E CA -0.186 56.235 56.400 0.035 0.000 0.876 272 E CB 1.478 31.194 29.700 0.026 0.000 1.009 272 E HN 0.532 nan 8.360 nan 0.000 0.416 273 A N 2.732 125.574 122.820 0.037 0.000 2.295 273 A HA 0.167 4.487 4.320 -0.000 0.000 0.318 273 A C -0.064 177.536 177.584 0.028 0.000 1.134 273 A CA -0.627 51.432 52.037 0.038 0.000 0.827 273 A CB 0.648 19.676 19.000 0.047 0.000 1.136 273 A HN 0.477 nan 8.150 nan 0.000 0.493 274 D N 1.964 122.379 120.400 0.026 0.000 2.342 274 D HA 0.048 4.688 4.640 -0.000 0.000 0.260 274 D C 0.674 176.984 176.300 0.016 0.000 1.278 274 D CA -0.144 53.867 54.000 0.017 0.000 0.910 274 D CB 0.525 41.332 40.800 0.012 0.000 1.079 274 D HN 0.304 nan 8.370 nan 0.000 0.496 275 L N 2.741 123.970 121.223 0.011 0.000 2.552 275 L HA 0.147 4.487 4.340 -0.000 0.000 0.227 275 L C 0.875 177.744 176.870 -0.001 0.000 1.146 275 L CA 0.446 55.288 54.840 0.005 0.000 0.858 275 L CB -1.210 40.849 42.059 0.001 0.000 0.969 275 L HN 0.343 nan 8.230 nan 0.000 0.451 276 A N -0.403 122.417 122.820 0.000 0.000 2.304 276 A HA 0.378 4.698 4.320 -0.000 0.000 0.271 276 A C 0.026 177.609 177.584 -0.002 0.000 1.091 276 A CA -0.372 51.664 52.037 -0.003 0.000 0.812 276 A CB 0.642 19.640 19.000 -0.003 0.000 1.056 276 A HN -0.071 nan 8.150 nan 0.000 0.489 277 V N 2.839 122.749 119.914 -0.006 0.000 2.421 277 V HA 0.205 4.325 4.120 -0.000 0.000 0.271 277 V C 1.160 177.248 176.094 -0.011 0.000 1.031 277 V CA 0.544 62.841 62.300 -0.007 0.000 1.032 277 V CB -0.141 31.675 31.823 -0.011 0.000 1.009 277 V HN 1.077 nan 8.190 nan 0.000 0.477 278 T N 0.753 115.299 114.554 -0.013 0.000 2.847 278 T HA 0.203 4.553 4.350 -0.000 0.000 0.279 278 T C 0.887 175.568 174.700 -0.031 0.000 0.984 278 T CA -0.658 61.429 62.100 -0.022 0.000 0.988 278 T CB 0.968 69.820 68.868 -0.027 0.000 1.040 278 T HN 0.508 nan 8.240 nan 0.000 0.528 279 D N 0.035 120.415 120.400 -0.034 0.000 2.190 279 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 279 D C 1.870 178.136 176.300 -0.056 0.000 0.992 279 D CA 1.307 55.285 54.000 -0.037 0.000 0.854 279 D CB -0.166 40.615 40.800 -0.032 0.000 0.936 279 D HN 0.761 nan 8.370 nan 0.000 0.462 280 E N 0.701 120.846 120.200 -0.092 0.000 2.015 280 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 280 E C 1.419 177.941 176.600 -0.131 0.000 0.991 280 E CA 1.166 57.452 56.400 -0.191 0.000 0.802 280 E CB -0.210 29.323 29.700 -0.279 0.000 0.759 280 E HN 0.114 nan 8.360 nan 0.000 0.447 281 D N 0.205 120.567 120.400 -0.063 0.000 2.191 281 D HA -0.265 4.375 4.640 -0.000 0.000 0.195 281 D C 1.685 177.983 176.300 -0.003 0.000 1.003 281 D CA 1.650 55.651 54.000 0.002 0.000 0.867 281 D CB -0.522 40.279 40.800 0.002 0.000 0.926 281 D HN 0.338 nan 8.370 nan 0.000 0.450 282 A N 1.018 123.825 122.820 -0.022 0.000 1.972 282 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 282 A C 2.008 179.577 177.584 -0.025 0.000 1.169 282 A CA 1.391 53.409 52.037 -0.032 0.000 0.635 282 A CB -0.454 18.529 19.000 -0.028 0.000 0.810 282 A HN 0.313 nan 8.150 nan 0.000 0.446 283 E N 0.190 120.406 120.200 0.026 0.000 2.204 283 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 283 E C 1.726 178.321 176.600 -0.008 0.000 0.990 283 E CA 0.928 57.360 56.400 0.054 0.000 0.821 283 E CB -0.376 29.440 29.700 0.193 0.000 0.750 283 E HN 0.659 nan 8.360 nan 0.000 0.477 284 L N 1.367 122.575 121.223 -0.024 0.000 2.131 284 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 284 L C 1.759 178.428 176.870 -0.335 0.000 1.092 284 L CA 0.788 55.517 54.840 -0.184 0.000 0.759 284 L CB -0.397 41.535 42.059 -0.211 0.000 0.903 284 L HN 0.031 nan 8.230 nan 0.000 0.435 285 D N -0.342 119.906 120.400 -0.253 0.000 2.263 285 D HA -0.134 4.506 4.640 -0.000 0.000 0.208 285 D C 1.886 178.080 176.300 -0.177 0.000 0.971 285 D CA 1.808 55.661 54.000 -0.245 0.000 0.867 285 D CB 0.061 40.764 40.800 -0.162 0.000 0.929 285 D HN 0.428 nan 8.370 nan 0.000 0.492 286 T N -2.715 111.758 114.554 -0.134 0.000 3.091 286 T HA 0.111 4.461 4.350 -0.000 0.000 0.277 286 T C 1.543 176.185 174.700 -0.097 0.000 0.996 286 T CA -0.400 61.644 62.100 -0.093 0.000 0.897 286 T CB -0.001 68.835 68.868 -0.053 0.000 1.109 286 T HN -0.119 nan 8.240 nan 0.000 0.534 287 I N 2.535 123.020 120.570 -0.142 0.000 2.264 287 I HA 0.068 4.238 4.170 -0.000 0.000 0.248 287 I C 0.453 176.428 176.117 -0.237 0.000 1.111 287 I CA 0.595 61.794 61.300 -0.167 0.000 1.382 287 I CB -0.146 37.732 38.000 -0.204 0.000 1.060 287 I HN 0.180 nan 8.210 nan 0.000 0.418 288 V N 3.672 123.432 119.914 -0.258 0.000 2.432 288 V HA 0.254 4.374 4.120 -0.000 0.000 0.271 288 V C -2.028 174.048 176.094 -0.029 0.000 1.046 288 V CA -1.497 60.661 62.300 -0.236 0.000 0.945 288 V CB 0.099 31.829 31.823 -0.155 0.000 0.992 288 V HN 0.169 nan 8.190 nan 0.000 0.471 289 P HA 0.106 nan 4.420 nan 0.000 0.266 289 P C 0.307 177.646 177.300 0.066 0.000 1.195 289 P CA -0.170 62.973 63.100 0.071 0.000 0.768 289 P CB 0.494 32.259 31.700 0.109 0.000 0.838 290 D N -0.500 119.927 120.400 0.046 0.000 2.354 290 D HA -0.088 4.552 4.640 -0.000 0.000 0.216 290 D C 0.551 176.885 176.300 0.056 0.000 0.970 290 D CA 1.207 55.233 54.000 0.045 0.000 0.905 290 D CB -0.097 40.722 40.800 0.032 0.000 0.903 290 D HN 0.223 nan 8.370 nan 0.000 0.508 291 S N -0.814 114.924 115.700 0.063 0.000 2.449 291 S HA 0.541 5.011 4.470 -0.000 0.000 0.310 291 S C 1.022 175.670 174.600 0.079 0.000 1.096 291 S CA -0.333 57.904 58.200 0.063 0.000 1.095 291 S CB 1.640 64.870 63.200 0.050 0.000 1.007 291 S HN 0.081 nan 8.310 nan 0.000 0.474 292 A N 4.798 127.666 122.820 0.081 0.000 1.873 292 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 292 A C 1.977 179.607 177.584 0.077 0.000 1.193 292 A CA 2.320 54.412 52.037 0.093 0.000 0.629 292 A CB -1.079 17.982 19.000 0.102 0.000 0.826 292 A HN 0.972 nan 8.150 nan 0.000 0.447 293 N N 0.207 118.942 118.700 0.059 0.000 2.443 293 N HA -0.150 4.590 4.740 -0.000 0.000 0.184 293 N C 0.816 176.345 175.510 0.033 0.000 1.037 293 N CA 0.958 54.033 53.050 0.041 0.000 0.896 293 N CB -0.605 37.901 38.487 0.031 0.000 0.959 293 N HN 0.674 nan 8.380 nan 0.000 0.442 294 Q N 1.738 121.566 119.800 0.048 0.000 2.288 294 Q HA 0.236 4.576 4.340 -0.000 0.000 0.258 294 Q C -2.251 173.784 176.000 0.058 0.000 0.957 294 Q CA -1.881 53.952 55.803 0.049 0.000 0.919 294 Q CB 1.127 29.901 28.738 0.061 0.000 1.185 294 Q HN 0.256 nan 8.270 nan 0.000 0.408 295 P HA 0.128 nan 4.420 nan 0.000 0.276 295 P C -1.497 175.829 177.300 0.043 0.000 1.252 295 P CA -0.031 63.041 63.100 -0.047 0.000 0.802 295 P CB 0.493 32.147 31.700 -0.077 0.000 1.035 296 Y N -2.615 117.687 120.300 0.004 0.000 2.609 296 Y HA 0.581 5.131 4.550 -0.000 0.000 0.342 296 Y C -0.815 175.080 175.900 -0.008 0.000 1.058 296 Y CA -1.580 56.520 58.100 -0.000 0.000 1.055 296 Y CB 0.483 38.948 38.460 0.008 0.000 1.292 296 Y HN 0.102 nan 8.280 nan 0.000 0.476 297 D N 2.366 122.872 120.400 0.177 0.000 2.365 297 D HA 0.096 4.736 4.640 -0.000 0.000 0.237 297 D C 0.715 177.086 176.300 0.119 0.000 1.190 297 D CA -0.152 53.904 54.000 0.092 0.000 0.867 297 D CB 1.361 42.210 40.800 0.082 0.000 1.050 297 D HN 0.801 nan 8.370 nan 0.000 0.491 298 M N 4.356 123.953 119.600 -0.004 0.000 2.149 298 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 298 M C 1.609 177.781 176.300 -0.214 0.000 1.064 298 M CA 1.597 56.844 55.300 -0.089 0.000 1.102 298 M CB -0.335 32.143 32.600 -0.202 0.000 1.369 298 M HN 0.493 nan 8.290 nan 0.000 0.408 299 H N -1.349 117.585 119.070 -0.226 0.000 2.400 299 H HA -0.156 4.400 4.556 -0.000 0.000 0.295 299 H C 2.111 177.291 175.328 -0.246 0.000 1.118 299 H CA 1.943 57.818 56.048 -0.288 0.000 1.256 299 H CB -0.366 29.304 29.762 -0.154 0.000 1.365 299 H HN 0.432 nan 8.280 nan 0.000 0.502 300 S N -0.130 115.533 115.700 -0.061 0.000 2.395 300 S HA -0.061 4.409 4.470 -0.000 0.000 0.225 300 S C 2.544 176.914 174.600 -0.382 0.000 1.027 300 S CA 0.662 58.749 58.200 -0.189 0.000 0.965 300 S CB -0.054 63.026 63.200 -0.199 0.000 0.812 300 S HN 0.116 nan 8.310 nan 0.000 0.482 301 V N 2.471 122.207 119.914 -0.298 0.000 2.287 301 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 301 V C 2.065 177.915 176.094 -0.408 0.000 1.053 301 V CA 1.647 63.768 62.300 -0.298 0.000 1.027 301 V CB -0.735 30.939 31.823 -0.247 0.000 0.646 301 V HN 0.450 nan 8.190 nan 0.000 0.447 302 I N 0.887 121.127 120.570 -0.550 0.000 2.127 302 I HA -0.308 3.861 4.170 -0.000 0.000 0.241 302 I C 2.749 178.781 176.117 -0.143 0.000 1.075 302 I CA 2.252 63.251 61.300 -0.502 0.000 1.334 302 I CB -0.632 36.971 38.000 -0.662 0.000 1.040 302 I HN 0.524 nan 8.210 nan 0.000 0.405 303 E N 0.359 120.526 120.200 -0.055 0.000 2.118 303 E HA -0.299 4.051 4.350 -0.000 0.000 0.195 303 E C 2.015 178.747 176.600 0.220 0.000 0.992 303 E CA 1.746 58.224 56.400 0.131 0.000 0.804 303 E CB -0.500 29.303 29.700 0.171 0.000 0.741 303 E HN 0.508 nan 8.360 nan 0.000 0.458 304 H N 0.308 119.381 119.070 0.005 0.000 2.387 304 H HA 0.082 4.638 4.556 -0.000 0.000 0.299 304 H C 0.104 175.468 175.328 0.060 0.000 1.090 304 H CA 0.947 57.012 56.048 0.030 0.000 1.332 304 H CB 0.000 29.774 29.762 0.020 0.000 1.386 304 H HN 0.034 nan 8.280 nan 0.000 0.516 305 V N 2.123 122.154 119.914 0.194 0.000 2.318 305 V HA 0.349 4.469 4.120 -0.000 0.000 0.271 305 V C -0.368 175.843 176.094 0.196 0.000 1.030 305 V CA -0.299 62.123 62.300 0.202 0.000 0.844 305 V CB 0.448 32.440 31.823 0.282 0.000 1.015 305 V HN 0.247 nan 8.190 nan 0.000 0.460 306 L N 3.146 124.479 121.223 0.183 0.000 5.216 306 L HA 0.054 4.394 4.340 -0.000 0.000 0.231 306 L C -1.323 175.642 176.870 0.159 0.000 1.079 306 L CA -0.820 54.136 54.840 0.195 0.000 0.839 306 L CB 1.128 43.325 42.059 0.230 0.000 1.466 306 L HN 0.493 nan 8.230 nan 0.000 0.280 307 D N 2.254 122.746 120.400 0.153 0.000 2.525 307 D HA 0.157 4.797 4.640 -0.000 0.000 0.235 307 D C 0.332 176.699 176.300 0.111 0.000 1.137 307 D CA 0.906 54.976 54.000 0.117 0.000 0.868 307 D CB 0.401 41.267 40.800 0.109 0.000 1.180 307 D HN 0.511 nan 8.370 nan 0.000 0.465 308 D N 1.586 122.033 120.400 0.079 0.000 2.882 308 D HA -0.267 4.373 4.640 -0.000 0.000 0.229 308 D C 0.688 177.042 176.300 0.089 0.000 1.167 308 D CA 1.113 55.154 54.000 0.067 0.000 0.759 308 D CB -1.438 39.395 40.800 0.055 0.000 1.088 308 D HN 0.691 nan 8.370 nan 0.000 0.425 309 A N -0.783 122.100 122.820 0.105 0.000 2.790 309 A HA -0.312 4.008 4.320 -0.000 0.000 0.277 309 A C 0.532 178.221 177.584 0.175 0.000 1.435 309 A CA 1.978 54.094 52.037 0.132 0.000 0.877 309 A CB -1.777 17.285 19.000 0.103 0.000 1.007 309 A HN 0.572 nan 8.150 nan 0.000 0.613 310 E N -0.649 119.665 120.200 0.191 0.000 2.115 310 E HA 0.622 4.972 4.350 -0.000 0.000 0.282 310 E C -0.552 176.244 176.600 0.326 0.000 0.987 310 E CA -0.625 55.915 56.400 0.234 0.000 0.797 310 E CB 0.290 30.107 29.700 0.194 0.000 1.086 310 E HN 0.758 nan 8.360 nan 0.000 0.397 311 F N 6.043 126.096 119.950 0.172 0.000 2.449 311 F HA 0.464 4.991 4.527 -0.000 0.000 0.342 311 F C -1.747 174.169 175.800 0.192 0.000 1.127 311 F CA -1.282 56.814 58.000 0.160 0.000 0.975 311 F CB 0.779 39.851 39.000 0.120 0.000 1.146 311 F HN 0.502 nan 8.300 nan 0.000 0.444 312 F N 6.829 126.426 119.950 -0.587 0.000 2.334 312 F HA 0.349 4.876 4.527 -0.000 0.000 0.367 312 F C -0.109 175.174 175.800 -0.861 0.000 1.115 312 F CA -0.506 57.184 58.000 -0.517 0.000 1.116 312 F CB 0.532 39.336 39.000 -0.326 0.000 1.230 312 F HN 0.581 nan 8.300 nan 0.000 0.484 313 E N 3.869 123.456 120.200 -1.021 0.000 2.313 313 E HA 0.276 4.626 4.350 -0.000 0.000 0.276 313 E C -0.456 175.850 176.600 -0.489 0.000 1.031 313 E CA -0.457 55.466 56.400 -0.795 0.000 0.857 313 E CB 0.883 30.413 29.700 -0.283 0.000 1.040 313 E HN 0.640 nan 8.360 nan 0.000 0.408 314 T N 1.767 116.110 114.554 -0.351 0.000 2.859 314 T HA 0.220 4.570 4.350 -0.000 0.000 0.281 314 T C -0.167 174.540 174.700 0.013 0.000 1.005 314 T CA -0.628 61.416 62.100 -0.092 0.000 1.025 314 T CB 1.240 70.065 68.868 -0.071 0.000 0.977 314 T HN 0.696 nan 8.240 nan 0.000 0.458 315 Q N 1.243 121.134 119.800 0.151 0.000 2.443 315 Q HA -0.117 4.223 4.340 -0.000 0.000 0.337 315 Q C -1.934 174.135 176.000 0.116 0.000 1.401 315 Q CA 0.228 56.131 55.803 0.166 0.000 0.943 315 Q CB -1.092 27.793 28.738 0.245 0.000 1.177 315 Q HN 0.663 nan 8.270 nan 0.000 0.394 316 P HA -0.116 nan 4.420 nan 0.000 0.222 316 P C 0.916 178.269 177.300 0.088 0.000 1.153 316 P CA 0.929 64.083 63.100 0.091 0.000 0.798 316 P CB 0.221 31.972 31.700 0.085 0.000 0.796 317 L N -2.990 118.290 121.223 0.094 0.000 2.529 317 L HA 0.187 4.527 4.340 -0.000 0.000 0.223 317 L C 0.900 177.867 176.870 0.162 0.000 1.113 317 L CA -0.045 54.854 54.840 0.099 0.000 0.861 317 L CB -0.188 41.912 42.059 0.067 0.000 1.012 317 L HN -0.064 nan 8.230 nan 0.000 0.461 318 F N 0.981 120.927 119.950 -0.006 0.000 2.427 318 F HA 0.581 5.108 4.527 -0.000 0.000 0.346 318 F C 0.758 176.536 175.800 -0.037 0.000 1.120 318 F CA -0.891 57.098 58.000 -0.019 0.000 1.033 318 F CB 1.001 39.990 39.000 -0.018 0.000 1.126 318 F HN -0.023 nan 8.300 nan 0.000 0.462 319 A N 5.340 127.789 122.820 -0.618 0.000 2.416 319 A HA -0.174 4.146 4.320 -0.000 0.000 0.293 319 A C -2.354 175.040 177.584 -0.317 0.000 1.452 319 A CA 0.297 51.975 52.037 -0.597 0.000 0.738 319 A CB -1.862 16.661 19.000 -0.794 0.000 1.123 319 A HN 0.626 nan 8.150 nan 0.000 0.389 320 P HA -0.043 nan 4.420 nan 0.000 0.242 320 P C 1.068 178.313 177.300 -0.092 0.000 1.197 320 P CA 0.909 63.964 63.100 -0.076 0.000 0.765 320 P CB -0.147 31.569 31.700 0.026 0.000 0.936 321 N N -0.449 118.110 118.700 -0.234 0.000 2.467 321 N HA -0.011 4.729 4.740 -0.000 0.000 0.184 321 N C 0.423 175.844 175.510 -0.148 0.000 1.106 321 N CA 0.298 53.234 53.050 -0.189 0.000 0.892 321 N CB 0.288 38.562 38.487 -0.355 0.000 0.969 321 N HN 0.244 nan 8.380 nan 0.000 0.454 322 I N 0.320 120.797 120.570 -0.155 0.000 2.769 322 I HA 0.363 4.533 4.170 -0.000 0.000 0.298 322 I C -1.490 174.559 176.117 -0.113 0.000 1.128 322 I CA -1.065 60.160 61.300 -0.126 0.000 1.031 322 I CB 2.338 40.268 38.000 -0.117 0.000 1.235 322 I HN -0.183 nan 8.210 nan 0.000 0.423 323 L N 5.237 126.392 121.223 -0.114 0.000 2.341 323 L HA 0.615 4.955 4.340 -0.000 0.000 0.278 323 L C -0.476 176.349 176.870 -0.074 0.000 1.005 323 L CA -0.516 54.264 54.840 -0.101 0.000 0.818 323 L CB 1.888 43.797 42.059 -0.250 0.000 1.259 323 L HN 0.567 nan 8.230 nan 0.000 0.418 324 T N -0.654 113.830 114.554 -0.117 0.000 2.893 324 T HA 0.939 5.289 4.350 -0.000 0.000 0.293 324 T C -0.181 174.151 174.700 -0.613 0.000 1.027 324 T CA -0.432 61.407 62.100 -0.435 0.000 0.988 324 T CB 2.438 70.874 68.868 -0.720 0.000 1.043 324 T HN 0.960 nan 8.240 nan 0.000 0.461 325 G N 1.014 109.286 108.800 -0.879 0.000 2.323 325 G HA2 0.495 4.455 3.960 -0.000 0.000 0.291 325 G HA3 0.495 4.455 3.960 -0.000 0.000 0.291 325 G C -2.152 172.444 174.900 -0.507 0.000 1.278 325 G CA -0.958 43.657 45.100 -0.809 0.000 0.860 325 G HN 0.641 nan 8.290 nan 0.000 0.504 326 F N -0.302 119.564 119.950 -0.140 0.000 2.575 326 F HA 0.915 5.442 4.527 -0.000 0.000 0.330 326 F C 0.936 176.583 175.800 -0.255 0.000 1.056 326 F CA 0.261 58.118 58.000 -0.238 0.000 0.964 326 F CB 2.272 40.766 39.000 -0.843 0.000 1.258 326 F HN 0.953 nan 8.300 nan 0.000 0.484 327 G N 0.215 109.100 108.800 0.142 0.000 2.650 327 G HA2 0.704 4.664 3.960 -0.000 0.000 0.310 327 G HA3 0.704 4.664 3.960 -0.000 0.000 0.310 327 G C -1.812 173.311 174.900 0.373 0.000 1.270 327 G CA -1.031 44.233 45.100 0.273 0.000 0.810 327 G HN 0.482 nan 8.290 nan 0.000 0.493 328 R N -1.194 119.498 120.500 0.319 0.000 2.673 328 R HA 0.642 4.982 4.340 -0.000 0.000 0.281 328 R C -1.577 174.847 176.300 0.206 0.000 0.991 328 R CA -0.666 55.591 56.100 0.261 0.000 0.896 328 R CB 2.800 33.233 30.300 0.221 0.000 1.201 328 R HN 0.342 nan 8.270 nan 0.000 0.457 329 V N 2.277 122.299 119.914 0.180 0.000 2.444 329 V HA 0.209 4.329 4.120 -0.000 0.000 0.294 329 V C 0.164 176.332 176.094 0.124 0.000 1.022 329 V CA -0.673 61.718 62.300 0.151 0.000 0.850 329 V CB 1.439 33.354 31.823 0.153 0.000 0.992 329 V HN 0.891 nan 8.190 nan 0.000 0.426 330 E N 3.483 123.746 120.200 0.106 0.000 2.360 330 E HA -0.303 4.047 4.350 -0.000 0.000 0.238 330 E C 1.278 177.936 176.600 0.097 0.000 1.186 330 E CA 0.683 57.137 56.400 0.089 0.000 0.719 330 E CB -1.171 28.574 29.700 0.076 0.000 1.236 330 E HN 1.552 nan 8.360 nan 0.000 0.386 331 G N 0.006 108.874 108.800 0.113 0.000 2.179 331 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.260 331 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.260 331 G C 0.228 175.214 174.900 0.142 0.000 0.977 331 G CA 0.617 45.798 45.100 0.135 0.000 0.641 331 G HN 0.293 nan 8.290 nan 0.000 0.533 332 R N 1.060 121.638 120.500 0.130 0.000 2.338 332 R HA 0.514 4.854 4.340 -0.000 0.000 0.317 332 R C -2.557 173.844 176.300 0.168 0.000 0.968 332 R CA -2.035 54.140 56.100 0.124 0.000 0.849 332 R CB 1.372 31.731 30.300 0.098 0.000 1.128 332 R HN 0.063 nan 8.270 nan 0.000 0.448 333 P HA -0.093 nan 4.420 nan 0.000 0.266 333 P C -0.826 176.625 177.300 0.251 0.000 1.186 333 P CA 0.164 63.425 63.100 0.268 0.000 0.767 333 P CB 0.649 32.464 31.700 0.191 0.000 0.820 334 V N 1.925 122.033 119.914 0.323 0.000 3.178 334 V HA 0.782 4.902 4.120 -0.000 0.000 0.302 334 V C -0.189 176.160 176.094 0.424 0.000 1.262 334 V CA -0.453 62.034 62.300 0.312 0.000 1.030 334 V CB 2.641 34.620 31.823 0.260 0.000 1.074 334 V HN 0.682 nan 8.190 nan 0.000 0.438 335 G N 3.237 112.259 108.800 0.370 0.000 2.453 335 G HA2 0.739 4.699 3.960 -0.000 0.000 0.323 335 G HA3 0.739 4.699 3.960 -0.000 0.000 0.323 335 G C -1.453 173.660 174.900 0.355 0.000 1.198 335 G CA -0.557 44.785 45.100 0.403 0.000 0.959 335 G HN 0.486 nan 8.290 nan 0.000 0.482 336 I N 1.231 122.015 120.570 0.358 0.000 2.498 336 I HA 0.408 4.578 4.170 -0.000 0.000 0.290 336 I C -0.238 175.996 176.117 0.194 0.000 1.032 336 I CA -0.996 60.477 61.300 0.290 0.000 1.073 336 I CB 1.465 39.676 38.000 0.352 0.000 1.251 336 I HN 0.353 nan 8.210 nan 0.000 0.426 337 V N 2.393 122.421 119.914 0.190 0.000 2.483 337 V HA 0.997 5.117 4.120 -0.000 0.000 0.297 337 V C -0.300 175.864 176.094 0.117 0.000 1.027 337 V CA -0.537 61.844 62.300 0.134 0.000 0.855 337 V CB 1.353 33.299 31.823 0.205 0.000 0.995 337 V HN 0.910 nan 8.190 nan 0.000 0.424 338 A N 3.686 126.534 122.820 0.046 0.000 2.459 338 A HA 0.743 5.063 4.320 -0.000 0.000 0.296 338 A C -0.591 176.956 177.584 -0.060 0.000 1.039 338 A CA -0.830 51.224 52.037 0.028 0.000 0.698 338 A CB 1.120 20.118 19.000 -0.003 0.000 1.261 338 A HN 0.925 nan 8.150 nan 0.000 0.405 339 N N 1.132 119.794 118.700 -0.064 0.000 2.520 339 N HA 0.388 5.128 4.740 -0.000 0.000 0.273 339 N C -0.222 175.202 175.510 -0.143 0.000 1.155 339 N CA -0.020 52.967 53.050 -0.106 0.000 0.967 339 N CB 0.790 39.209 38.487 -0.112 0.000 1.092 339 N HN 0.665 nan 8.380 nan 0.000 0.457 340 Q N 3.585 123.303 119.800 -0.136 0.000 2.509 340 Q HA 0.344 4.684 4.340 -0.000 0.000 0.236 340 Q C -2.330 173.588 176.000 -0.137 0.000 1.073 340 Q CA -1.916 53.803 55.803 -0.141 0.000 0.867 340 Q CB 1.376 30.063 28.738 -0.085 0.000 1.181 340 Q HN 0.335 nan 8.270 nan 0.000 0.526 341 P HA -0.135 nan 4.420 nan 0.000 0.223 341 P C 0.565 177.765 177.300 -0.166 0.000 1.144 341 P CA 1.120 64.060 63.100 -0.266 0.000 0.783 341 P CB 0.188 31.548 31.700 -0.566 0.000 0.771 342 M N -1.406 118.114 119.600 -0.133 0.000 2.659 342 M HA 0.016 4.496 4.480 -0.000 0.000 0.243 342 M C 0.255 176.554 176.300 -0.000 0.000 1.111 342 M CA 1.262 56.527 55.300 -0.059 0.000 1.070 342 M CB -0.525 32.059 32.600 -0.027 0.000 1.525 342 M HN 0.034 nan 8.290 nan 0.000 0.517 343 Q N -0.084 119.748 119.800 0.053 0.000 2.444 343 Q HA 0.244 4.584 4.340 -0.000 0.000 0.251 343 Q C -0.788 175.490 176.000 0.464 0.000 0.939 343 Q CA -0.227 55.730 55.803 0.257 0.000 0.740 343 Q CB 1.271 30.183 28.738 0.290 0.000 1.308 343 Q HN 0.440 nan 8.270 nan 0.000 0.461 344 F N 0.712 120.633 119.950 -0.049 0.000 3.071 344 F HA -0.347 4.180 4.527 -0.000 0.000 0.295 344 F C 1.059 176.830 175.800 -0.048 0.000 0.919 344 F CA 0.491 58.466 58.000 -0.041 0.000 1.050 344 F CB -2.082 36.894 39.000 -0.041 0.000 1.040 344 F HN 0.772 nan 8.300 nan 0.000 0.692 345 A N -1.154 121.697 122.820 0.053 0.000 3.052 345 A HA 0.032 4.352 4.320 -0.000 0.000 0.271 345 A C 2.257 179.833 177.584 -0.012 0.000 1.246 345 A CA 2.012 54.054 52.037 0.008 0.000 0.966 345 A CB -1.826 17.188 19.000 0.023 0.000 1.024 345 A HN 2.648 nan 8.150 nan 0.000 0.736 346 G N -2.812 105.994 108.800 0.010 0.000 2.132 346 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.228 346 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.228 346 G C 1.116 175.979 174.900 -0.062 0.000 1.000 346 G CA 0.960 46.030 45.100 -0.051 0.000 0.693 346 G HN 2.523 nan 8.290 nan 0.000 0.515 347 C N -0.601 118.689 119.300 -0.016 0.000 2.500 347 C HA 0.842 5.302 4.460 -0.000 0.000 0.367 347 C C 1.098 176.025 174.990 -0.105 0.000 1.283 347 C CA -1.464 57.520 59.018 -0.056 0.000 2.456 347 C CB 0.548 28.299 27.740 0.019 0.000 2.457 347 C HN 0.487 nan 8.230 nan 0.000 0.632 348 L N 2.839 123.966 121.223 -0.160 0.000 2.325 348 L HA 0.502 4.842 4.340 -0.000 0.000 0.279 348 L C 0.430 177.313 176.870 0.021 0.000 1.054 348 L CA 0.240 55.009 54.840 -0.119 0.000 0.804 348 L CB 1.048 42.962 42.059 -0.241 0.000 1.200 348 L HN 0.973 nan 8.230 nan 0.000 0.436 349 D N 2.049 122.449 120.400 0.001 0.000 3.096 349 D HA 0.214 4.854 4.640 -0.000 0.000 0.277 349 D C 0.806 177.123 176.300 0.028 0.000 1.256 349 D CA -0.451 53.568 54.000 0.032 0.000 1.044 349 D CB 0.648 41.416 40.800 -0.054 0.000 1.318 349 D HN 0.111 nan 8.370 nan 0.000 0.622 350 I N 0.578 121.150 120.570 0.004 0.000 2.235 350 I HA -0.152 4.018 4.170 -0.000 0.000 0.241 350 I C 2.601 178.711 176.117 -0.012 0.000 1.085 350 I CA 2.124 63.434 61.300 0.017 0.000 1.378 350 I CB -1.786 36.233 38.000 0.032 0.000 1.076 350 I HN 0.666 nan 8.210 nan 0.000 0.415 351 T N 0.056 114.552 114.554 -0.098 0.000 2.746 351 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 351 T C 2.102 176.603 174.700 -0.332 0.000 1.039 351 T CA 1.282 63.227 62.100 -0.257 0.000 1.142 351 T CB -0.698 67.785 68.868 -0.641 0.000 0.866 351 T HN 0.251 nan 8.240 nan 0.000 0.444 352 A N 1.903 124.551 122.820 -0.287 0.000 1.851 352 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 352 A C 2.766 180.304 177.584 -0.075 0.000 1.195 352 A CA 2.351 54.268 52.037 -0.200 0.000 0.622 352 A CB -1.421 17.474 19.000 -0.174 0.000 0.831 352 A HN 0.526 nan 8.150 nan 0.000 0.444 353 S N -0.767 114.921 115.700 -0.019 0.000 2.374 353 S HA -0.224 4.246 4.470 -0.000 0.000 0.227 353 S C 1.961 176.586 174.600 0.042 0.000 1.037 353 S CA 1.870 60.093 58.200 0.039 0.000 1.024 353 S CB -0.292 62.956 63.200 0.081 0.000 0.861 353 S HN 0.691 nan 8.310 nan 0.000 0.456 354 E N 0.519 120.749 120.200 0.051 0.000 2.076 354 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 354 E C 2.151 178.831 176.600 0.133 0.000 0.979 354 E CA 0.775 57.230 56.400 0.092 0.000 0.807 354 E CB -0.035 29.743 29.700 0.130 0.000 0.761 354 E HN 0.436 nan 8.360 nan 0.000 0.454 355 K N 0.581 121.075 120.400 0.156 0.000 2.063 355 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 355 K C 1.941 178.637 176.600 0.160 0.000 1.048 355 K CA 1.506 57.920 56.287 0.213 0.000 0.928 355 K CB -0.102 32.479 32.500 0.135 0.000 0.713 355 K HN 0.087 nan 8.250 nan 0.000 0.442 356 A N 1.019 123.890 122.820 0.085 0.000 1.878 356 A HA 0.138 4.458 4.320 -0.000 0.000 0.213 356 A C 2.412 180.036 177.584 0.067 0.000 1.192 356 A CA 1.230 53.315 52.037 0.080 0.000 0.619 356 A CB -0.844 18.170 19.000 0.024 0.000 0.837 356 A HN 0.472 nan 8.150 nan 0.000 0.446 357 A N -0.029 122.803 122.820 0.019 0.000 1.903 357 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 357 A C 2.277 179.861 177.584 0.000 0.000 1.191 357 A CA 2.059 54.081 52.037 -0.025 0.000 0.638 357 A CB -0.547 18.456 19.000 0.005 0.000 0.823 357 A HN 0.509 nan 8.150 nan 0.000 0.451 358 R N -2.237 118.298 120.500 0.058 0.000 2.193 358 R HA -0.031 4.309 4.340 -0.000 0.000 0.213 358 R C 1.807 178.162 176.300 0.092 0.000 1.055 358 R CA 1.034 57.168 56.100 0.057 0.000 0.995 358 R CB -0.261 30.085 30.300 0.076 0.000 0.893 358 R HN 0.554 nan 8.270 nan 0.000 0.459 359 F N 0.363 120.321 119.950 0.014 0.000 2.187 359 F HA -0.107 4.420 4.527 -0.000 0.000 0.295 359 F C 1.867 177.678 175.800 0.018 0.000 1.091 359 F CA 1.015 59.039 58.000 0.039 0.000 1.308 359 F CB -0.174 38.851 39.000 0.041 0.000 1.030 359 F HN -0.250 nan 8.300 nan 0.000 0.487 360 V N 1.228 121.152 119.914 0.017 0.000 2.392 360 V HA -0.309 3.811 4.120 -0.000 0.000 0.249 360 V C 2.405 178.431 176.094 -0.113 0.000 1.059 360 V CA 2.197 64.430 62.300 -0.112 0.000 1.051 360 V CB -0.727 30.912 31.823 -0.308 0.000 0.658 360 V HN 0.301 nan 8.190 nan 0.000 0.455 361 R N -0.494 119.954 120.500 -0.086 0.000 2.115 361 R HA -0.074 4.266 4.340 -0.000 0.000 0.226 361 R C 2.360 178.601 176.300 -0.097 0.000 1.100 361 R CA 1.628 57.684 56.100 -0.073 0.000 0.980 361 R CB -0.637 29.630 30.300 -0.054 0.000 0.875 361 R HN 0.496 nan 8.270 nan 0.000 0.445 362 T N 0.673 115.164 114.554 -0.104 0.000 2.737 362 T HA -0.142 4.208 4.350 -0.000 0.000 0.265 362 T C 2.115 176.846 174.700 0.052 0.000 1.038 362 T CA 1.256 63.335 62.100 -0.035 0.000 1.144 362 T CB -0.309 68.505 68.868 -0.090 0.000 0.866 362 T HN 0.327 nan 8.240 nan 0.000 0.434 363 C N 1.361 120.603 119.300 -0.097 0.000 2.425 363 C HA -0.083 4.377 4.460 -0.000 0.000 0.277 363 C C 2.623 177.638 174.990 0.042 0.000 1.280 363 C CA 0.590 59.616 59.018 0.013 0.000 1.744 363 C CB -1.060 26.630 27.740 -0.084 0.000 1.989 363 C HN 0.672 nan 8.230 nan 0.000 0.491 364 D N 0.755 121.139 120.400 -0.026 0.000 2.097 364 D HA -0.067 4.573 4.640 -0.000 0.000 0.197 364 D C 2.183 178.427 176.300 -0.094 0.000 0.984 364 D CA 1.456 55.438 54.000 -0.031 0.000 0.826 364 D CB -0.168 40.613 40.800 -0.031 0.000 0.973 364 D HN 0.349 nan 8.370 nan 0.000 0.460 365 A N -0.594 122.097 122.820 -0.215 0.000 1.986 365 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 365 A C 1.330 178.582 177.584 -0.554 0.000 1.171 365 A CA 1.110 52.863 52.037 -0.473 0.000 0.640 365 A CB -0.703 17.822 19.000 -0.792 0.000 0.811 365 A HN 0.380 nan 8.150 nan 0.000 0.451 366 F N -0.913 119.044 119.950 0.012 0.000 2.708 366 F HA 0.251 4.778 4.527 -0.000 0.000 0.300 366 F C 0.602 176.414 175.800 0.020 0.000 1.118 366 F CA -0.220 57.791 58.000 0.018 0.000 1.307 366 F CB -0.790 38.225 39.000 0.026 0.000 0.986 366 F HN 0.352 nan 8.300 nan 0.000 0.522 367 N N -1.112 117.661 118.700 0.122 0.000 2.800 367 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 367 N C -0.237 175.338 175.510 0.108 0.000 1.078 367 N CA 0.607 53.713 53.050 0.092 0.000 0.804 367 N CB -1.389 37.146 38.487 0.081 0.000 1.135 367 N HN 0.210 nan 8.380 nan 0.000 0.565 368 V N -1.037 118.961 119.914 0.139 0.000 2.406 368 V HA 0.546 4.666 4.120 -0.000 0.000 0.272 368 V C -2.114 174.068 176.094 0.147 0.000 1.043 368 V CA -1.783 60.610 62.300 0.154 0.000 0.915 368 V CB 1.065 33.009 31.823 0.202 0.000 0.988 368 V HN -0.133 nan 8.190 nan 0.000 0.466 369 P HA 0.144 nan 4.420 nan 0.000 0.267 369 P C -0.805 176.585 177.300 0.151 0.000 1.201 369 P CA 0.167 63.341 63.100 0.124 0.000 0.775 369 P CB 0.600 32.370 31.700 0.116 0.000 0.854 370 V N 3.966 123.959 119.914 0.132 0.000 2.487 370 V HA 0.341 4.461 4.120 -0.000 0.000 0.298 370 V C -0.019 176.133 176.094 0.096 0.000 1.028 370 V CA -0.468 61.926 62.300 0.158 0.000 0.860 370 V CB 1.278 33.220 31.823 0.198 0.000 0.991 370 V HN 0.297 nan 8.190 nan 0.000 0.427 371 L N 4.793 126.063 121.223 0.078 0.000 2.313 371 L HA 0.714 5.053 4.340 -0.000 0.000 0.283 371 L C 0.235 176.993 176.870 -0.187 0.000 1.013 371 L CA -0.360 54.422 54.840 -0.097 0.000 0.816 371 L CB 2.010 44.036 42.059 -0.054 0.000 1.236 371 L HN 0.746 nan 8.230 nan 0.000 0.419 372 T N -0.336 114.001 114.554 -0.363 0.000 2.807 372 T HA 0.686 5.036 4.350 -0.000 0.000 0.279 372 T C -0.765 173.604 174.700 -0.552 0.000 0.993 372 T CA -0.435 61.496 62.100 -0.283 0.000 0.970 372 T CB 0.766 69.543 68.868 -0.151 0.000 0.950 372 T HN 0.183 nan 8.240 nan 0.000 0.441 373 F N 2.885 122.781 119.950 -0.090 0.000 2.449 373 F HA 0.632 5.159 4.527 -0.000 0.000 0.342 373 F C 0.031 175.731 175.800 -0.167 0.000 1.127 373 F CA -1.055 56.850 58.000 -0.158 0.000 0.975 373 F CB 2.099 41.001 39.000 -0.164 0.000 1.146 373 F HN 0.604 nan 8.300 nan 0.000 0.444 374 V N 3.048 122.928 119.914 -0.056 0.000 2.588 374 V HA 0.692 4.812 4.120 -0.000 0.000 0.304 374 V C -1.673 174.342 176.094 -0.132 0.000 1.042 374 V CA -0.206 62.036 62.300 -0.096 0.000 0.877 374 V CB 1.886 33.644 31.823 -0.108 0.000 0.996 374 V HN 0.781 nan 8.190 nan 0.000 0.425 375 D N 4.784 125.104 120.400 -0.134 0.000 2.381 375 D HA 0.281 4.921 4.640 -0.000 0.000 0.245 375 D C -1.741 174.454 176.300 -0.175 0.000 1.297 375 D CA -0.008 53.902 54.000 -0.150 0.000 0.931 375 D CB 1.634 42.361 40.800 -0.121 0.000 1.334 375 D HN 0.617 nan 8.370 nan 0.000 0.535 376 V N 5.855 125.633 119.914 -0.226 0.000 2.443 376 V HA 0.488 4.608 4.120 -0.000 0.000 0.293 376 V C -1.832 174.128 176.094 -0.222 0.000 1.021 376 V CA -1.965 60.211 62.300 -0.208 0.000 0.848 376 V CB 2.343 34.044 31.823 -0.203 0.000 0.998 376 V HN 0.249 nan 8.190 nan 0.000 0.424 377 P HA 0.250 nan 4.420 nan 0.000 0.217 377 P C 0.666 178.127 177.300 0.268 0.000 1.154 377 P CA 1.822 65.042 63.100 0.201 0.000 0.841 377 P CB 0.549 32.345 31.700 0.159 0.000 0.788 378 G N -1.528 107.287 108.800 0.024 0.000 2.404 378 G HA2 0.268 4.228 3.960 -0.000 0.000 0.253 378 G HA3 0.268 4.228 3.960 -0.000 0.000 0.253 378 G C -1.637 173.122 174.900 -0.235 0.000 1.253 378 G CA -0.845 44.206 45.100 -0.081 0.000 0.917 378 G HN -0.004 nan 8.290 nan 0.000 0.480 379 F N 0.413 120.407 119.950 0.073 0.000 2.379 379 F HA 0.581 5.108 4.527 -0.000 0.000 0.332 379 F C 0.826 176.654 175.800 0.046 0.000 1.096 379 F CA -0.625 57.403 58.000 0.048 0.000 1.105 379 F CB 1.542 40.567 39.000 0.042 0.000 1.189 379 F HN 0.361 nan 8.300 nan 0.000 0.515 380 L N 5.713 127.056 121.223 0.201 0.000 2.700 380 L HA 0.160 4.499 4.340 -0.000 0.000 0.272 380 L C -2.370 174.578 176.870 0.130 0.000 1.176 380 L CA -1.195 53.728 54.840 0.138 0.000 0.961 380 L CB -0.652 41.467 42.059 0.100 0.000 1.249 380 L HN 0.275 nan 8.230 nan 0.000 0.487 381 P HA 0.478 nan 4.420 nan 0.000 0.271 381 P C -0.452 176.883 177.300 0.057 0.000 1.216 381 P CA -0.151 62.997 63.100 0.080 0.000 0.771 381 P CB 1.011 32.751 31.700 0.066 0.000 0.864 382 G N 0.736 109.558 108.800 0.037 0.000 2.380 382 G HA2 0.189 4.149 3.960 -0.000 0.000 0.305 382 G HA3 0.189 4.149 3.960 -0.000 0.000 0.305 382 G C 0.153 175.045 174.900 -0.015 0.000 1.672 382 G CA -0.630 44.478 45.100 0.013 0.000 0.904 382 G HN 0.227 nan 8.290 nan 0.000 0.686 383 V N 1.355 121.232 119.914 -0.062 0.000 2.591 383 V HA -0.036 4.084 4.120 -0.000 0.000 0.249 383 V C 2.563 178.525 176.094 -0.220 0.000 1.053 383 V CA 2.576 64.784 62.300 -0.154 0.000 1.068 383 V CB -0.249 31.441 31.823 -0.222 0.000 0.689 383 V HN 0.887 nan 8.190 nan 0.000 0.462 384 D N -0.931 119.392 120.400 -0.130 0.000 2.264 384 D HA -0.188 4.452 4.640 -0.000 0.000 0.208 384 D C 1.950 178.252 176.300 0.003 0.000 0.966 384 D CA 0.693 54.649 54.000 -0.073 0.000 0.864 384 D CB -0.342 40.439 40.800 -0.032 0.000 0.933 384 D HN 0.315 nan 8.370 nan 0.000 0.499 385 Q N -0.063 119.743 119.800 0.010 0.000 2.123 385 Q HA -0.107 4.233 4.340 -0.000 0.000 0.199 385 Q C 1.858 177.892 176.000 0.056 0.000 0.966 385 Q CA 1.198 57.023 55.803 0.036 0.000 0.845 385 Q CB -0.080 28.682 28.738 0.040 0.000 0.907 385 Q HN 0.427 nan 8.270 nan 0.000 0.439 386 E N -0.237 120.011 120.200 0.080 0.000 2.076 386 E HA -0.123 4.227 4.350 -0.000 0.000 0.190 386 E C 1.442 178.168 176.600 0.211 0.000 0.979 386 E CA 0.754 57.234 56.400 0.132 0.000 0.807 386 E CB 0.068 29.867 29.700 0.165 0.000 0.761 386 E HN 0.338 nan 8.360 nan 0.000 0.454 387 H N 0.112 119.183 119.070 0.002 0.000 2.559 387 H HA 0.028 4.584 4.556 -0.000 0.000 0.273 387 H C 0.477 175.808 175.328 0.005 0.000 1.000 387 H CA 1.048 57.098 56.048 0.003 0.000 1.195 387 H CB 0.148 29.913 29.762 0.005 0.000 1.368 387 H HN 0.176 nan 8.280 nan 0.000 0.592 388 D N -1.201 119.273 120.400 0.125 0.000 2.379 388 D HA 0.179 4.819 4.640 -0.000 0.000 0.208 388 D C 1.114 177.442 176.300 0.046 0.000 1.065 388 D CA 0.764 54.807 54.000 0.072 0.000 0.848 388 D CB 0.669 41.507 40.800 0.063 0.000 0.949 388 D HN 0.399 nan 8.370 nan 0.000 0.509 389 G N 1.878 110.703 108.800 0.043 0.000 2.288 389 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.205 389 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.205 389 G C 0.865 175.771 174.900 0.010 0.000 1.071 389 G CA 0.137 45.247 45.100 0.018 0.000 0.788 389 G HN 0.248 nan 8.290 nan 0.000 0.491 390 I N 0.248 120.824 120.570 0.009 0.000 2.315 390 I HA -0.123 4.047 4.170 -0.000 0.000 0.251 390 I C 2.438 178.528 176.117 -0.045 0.000 1.125 390 I CA 1.793 63.087 61.300 -0.011 0.000 1.392 390 I CB -0.190 37.798 38.000 -0.020 0.000 1.065 390 I HN 0.540 nan 8.210 nan 0.000 0.424 391 I N 0.771 121.313 120.570 -0.047 0.000 2.179 391 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 391 I C 2.497 178.598 176.117 -0.028 0.000 1.088 391 I CA 1.896 63.162 61.300 -0.056 0.000 1.357 391 I CB -0.507 37.467 38.000 -0.044 0.000 1.051 391 I HN 0.297 nan 8.210 nan 0.000 0.409 392 R N 0.329 120.820 120.500 -0.015 0.000 2.246 392 R HA 0.093 4.433 4.340 -0.000 0.000 0.199 392 R C 2.030 178.330 176.300 0.000 0.000 0.984 392 R CA 0.221 56.317 56.100 -0.007 0.000 1.015 392 R CB -0.203 30.090 30.300 -0.012 0.000 0.930 392 R HN 0.260 nan 8.270 nan 0.000 0.475 393 R N 0.874 121.378 120.500 0.007 0.000 2.090 393 R HA 0.103 4.443 4.340 -0.000 0.000 0.219 393 R C 2.214 178.537 176.300 0.039 0.000 1.100 393 R CA 1.323 57.435 56.100 0.021 0.000 0.991 393 R CB -0.522 29.796 30.300 0.030 0.000 0.893 393 R HN 0.387 nan 8.270 nan 0.000 0.443 394 G N 0.745 109.572 108.800 0.045 0.000 2.712 394 G HA2 0.003 3.963 3.960 -0.000 0.000 0.212 394 G HA3 0.003 3.963 3.960 -0.000 0.000 0.212 394 G C 1.438 176.393 174.900 0.092 0.000 1.142 394 G CA 0.536 45.689 45.100 0.088 0.000 0.789 394 G HN 0.347 nan 8.290 nan 0.000 0.535 395 A N 1.388 124.244 122.820 0.061 0.000 2.015 395 A HA 0.044 4.364 4.320 -0.000 0.000 0.219 395 A C 2.261 179.923 177.584 0.131 0.000 1.163 395 A CA 1.524 53.613 52.037 0.086 0.000 0.646 395 A CB -0.195 18.846 19.000 0.068 0.000 0.806 395 A HN 0.415 nan 8.150 nan 0.000 0.448 396 K N -0.586 119.868 120.400 0.090 0.000 2.097 396 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 396 K C 1.796 178.463 176.600 0.112 0.000 1.050 396 K CA 1.163 57.499 56.287 0.082 0.000 0.938 396 K CB -0.426 32.078 32.500 0.007 0.000 0.718 396 K HN 0.359 nan 8.250 nan 0.000 0.442 397 L N 2.027 123.304 121.223 0.090 0.000 2.017 397 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 397 L C 2.011 178.953 176.870 0.121 0.000 1.073 397 L CA 1.452 56.327 54.840 0.058 0.000 0.745 397 L CB -0.346 41.765 42.059 0.086 0.000 0.894 397 L HN 0.141 nan 8.230 nan 0.000 0.432 398 I N -1.481 119.192 120.570 0.171 0.000 2.264 398 I HA -0.342 3.828 4.170 -0.000 0.000 0.248 398 I C 2.282 178.495 176.117 0.160 0.000 1.111 398 I CA 1.458 62.861 61.300 0.171 0.000 1.382 398 I CB -0.262 37.814 38.000 0.127 0.000 1.060 398 I HN 0.285 nan 8.210 nan 0.000 0.418 399 F N 1.304 121.276 119.950 0.036 0.000 2.163 399 F HA -0.120 4.407 4.527 -0.000 0.000 0.297 399 F C 2.484 178.286 175.800 0.003 0.000 1.094 399 F CA 1.222 59.233 58.000 0.019 0.000 1.290 399 F CB -0.434 38.569 39.000 0.005 0.000 1.017 399 F HN -0.011 nan 8.300 nan 0.000 0.483 400 A N -0.591 122.372 122.820 0.239 0.000 1.908 400 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 400 A C 2.037 179.631 177.584 0.017 0.000 1.181 400 A CA 1.927 54.008 52.037 0.073 0.000 0.627 400 A CB -1.390 17.547 19.000 -0.104 0.000 0.818 400 A HN 0.478 nan 8.150 nan 0.000 0.445 401 Y N -0.459 119.868 120.300 0.044 0.000 2.153 401 Y HA 0.033 4.583 4.550 -0.000 0.000 0.289 401 Y C 3.000 178.871 175.900 -0.049 0.000 1.127 401 Y CA 0.460 58.555 58.100 -0.008 0.000 1.131 401 Y CB -1.036 37.408 38.460 -0.027 0.000 0.995 401 Y HN 0.305 nan 8.280 nan 0.000 0.505 402 A N -0.041 122.828 122.820 0.081 0.000 1.986 402 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 402 A C 2.207 179.740 177.584 -0.084 0.000 1.171 402 A CA 2.110 54.115 52.037 -0.053 0.000 0.640 402 A CB -0.717 18.187 19.000 -0.159 0.000 0.811 402 A HN 0.596 nan 8.150 nan 0.000 0.451 403 E N -0.011 120.140 120.200 -0.081 0.000 2.170 403 E HA 0.183 4.533 4.350 -0.000 0.000 0.191 403 E C 1.026 177.632 176.600 0.010 0.000 0.981 403 E CA 0.410 56.782 56.400 -0.046 0.000 0.830 403 E CB -0.220 29.508 29.700 0.046 0.000 0.775 403 E HN 0.538 nan 8.360 nan 0.000 0.470 404 A N 0.760 123.602 122.820 0.038 0.000 2.531 404 A HA 0.050 4.370 4.320 -0.000 0.000 0.236 404 A C 1.053 178.654 177.584 0.029 0.000 1.062 404 A CA 0.780 52.842 52.037 0.042 0.000 0.760 404 A CB 0.318 19.366 19.000 0.081 0.000 0.995 404 A HN 0.434 nan 8.150 nan 0.000 0.501 405 T N -0.643 113.923 114.554 0.020 0.000 2.964 405 T HA 0.239 4.589 4.350 -0.000 0.000 0.249 405 T C 0.815 175.528 174.700 0.022 0.000 1.000 405 T CA 0.556 62.664 62.100 0.014 0.000 0.992 405 T CB -1.370 67.501 68.868 0.005 0.000 1.087 405 T HN 1.509 nan 8.240 nan 0.000 0.489 406 V N 1.227 121.159 119.914 0.030 0.000 3.209 406 V HA 0.317 4.437 4.120 -0.000 0.000 0.305 406 V C -2.471 173.650 176.094 0.044 0.000 1.127 406 V CA -1.803 60.522 62.300 0.041 0.000 1.235 406 V CB -0.538 31.318 31.823 0.055 0.000 0.987 406 V HN 0.168 nan 8.190 nan 0.000 0.499 407 P HA 0.291 nan 4.420 nan 0.000 0.268 407 P C -0.872 176.452 177.300 0.041 0.000 1.205 407 P CA 0.154 63.277 63.100 0.038 0.000 0.771 407 P CB 0.366 32.092 31.700 0.042 0.000 0.858 408 L N 4.115 125.347 121.223 0.014 0.000 2.415 408 L HA 0.487 4.827 4.340 -0.000 0.000 0.268 408 L C 0.054 176.889 176.870 -0.059 0.000 0.984 408 L CA -0.418 54.416 54.840 -0.010 0.000 0.853 408 L CB 1.353 43.399 42.059 -0.022 0.000 1.215 408 L HN 0.242 nan 8.230 nan 0.000 0.419 409 I N 2.639 123.166 120.570 -0.072 0.000 2.378 409 I HA 0.476 4.646 4.170 -0.000 0.000 0.291 409 I C 0.139 176.134 176.117 -0.203 0.000 0.992 409 I CA -0.261 60.974 61.300 -0.109 0.000 1.154 409 I CB 2.278 40.238 38.000 -0.067 0.000 1.315 409 I HN 0.553 nan 8.210 nan 0.000 0.448 410 T N 3.133 117.549 114.554 -0.230 0.000 2.876 410 T HA 0.768 5.118 4.350 -0.000 0.000 0.289 410 T C -0.783 173.746 174.700 -0.286 0.000 1.014 410 T CA -0.748 61.170 62.100 -0.304 0.000 0.986 410 T CB 1.905 70.596 68.868 -0.296 0.000 1.021 410 T HN 0.187 nan 8.240 nan 0.000 0.458 411 V N 3.966 123.663 119.914 -0.361 0.000 2.525 411 V HA 0.422 4.541 4.120 -0.000 0.000 0.299 411 V C -0.560 175.350 176.094 -0.306 0.000 1.034 411 V CA -0.988 61.134 62.300 -0.297 0.000 0.863 411 V CB 1.723 33.402 31.823 -0.239 0.000 0.999 411 V HN 0.859 nan 8.190 nan 0.000 0.423 412 I N 4.950 125.335 120.570 -0.309 0.000 2.291 412 I HA 0.195 4.365 4.170 -0.000 0.000 0.290 412 I C 1.557 177.380 176.117 -0.490 0.000 1.050 412 I CA 0.102 61.224 61.300 -0.296 0.000 1.245 412 I CB 1.202 39.092 38.000 -0.183 0.000 1.405 412 I HN 0.797 nan 8.210 nan 0.000 0.478 413 T N 3.063 117.277 114.554 -0.566 0.000 3.088 413 T HA 0.153 4.503 4.350 -0.000 0.000 0.259 413 T C 1.326 175.898 174.700 -0.215 0.000 1.122 413 T CA 0.514 62.126 62.100 -0.813 0.000 1.095 413 T CB 0.908 69.272 68.868 -0.840 0.000 0.930 413 T HN 0.616 nan 8.240 nan 0.000 0.508 414 R N -0.125 120.289 120.500 -0.145 0.000 4.282 414 R HA 0.270 4.610 4.340 -0.000 0.000 0.093 414 R C -0.860 175.347 176.300 -0.155 0.000 0.657 414 R CA -0.438 55.632 56.100 -0.051 0.000 0.538 414 R CB 0.421 30.763 30.300 0.071 0.000 0.704 414 R HN 0.045 nan 8.270 nan 0.000 0.349 415 K N 1.190 121.446 120.400 -0.240 0.000 2.227 415 K HA 0.500 4.820 4.320 -0.000 0.000 0.280 415 K C -1.087 175.159 176.600 -0.591 0.000 1.041 415 K CA -0.041 55.918 56.287 -0.547 0.000 0.905 415 K CB 1.824 33.955 32.500 -0.614 0.000 1.068 415 K HN 0.399 nan 8.250 nan 0.000 0.470 416 A N 5.170 127.563 122.820 -0.713 0.000 2.943 416 A HA 0.428 4.748 4.320 -0.000 0.000 0.327 416 A C -1.038 176.363 177.584 -0.304 0.000 1.141 416 A CA -0.677 51.123 52.037 -0.394 0.000 0.773 416 A CB -0.095 18.769 19.000 -0.226 0.000 1.143 416 A HN 0.654 nan 8.150 nan 0.000 0.463 417 F N 1.378 121.336 119.950 0.012 0.000 2.436 417 F HA 0.566 5.093 4.527 -0.000 0.000 0.340 417 F C 1.459 177.317 175.800 0.095 0.000 1.113 417 F CA 0.257 58.275 58.000 0.030 0.000 1.022 417 F CB 1.753 40.766 39.000 0.022 0.000 1.128 417 F HN 0.859 nan 8.300 nan 0.000 0.466 418 G N 2.439 111.429 108.800 0.317 0.000 2.602 418 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.310 418 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.310 418 G C 1.232 176.319 174.900 0.311 0.000 1.183 418 G CA 0.282 45.547 45.100 0.274 0.000 0.979 418 G HN 1.085 nan 8.290 nan 0.000 0.545 419 G N -0.131 108.895 108.800 0.376 0.000 2.453 419 G HA2 0.386 4.346 3.960 -0.000 0.000 0.215 419 G HA3 0.386 4.346 3.960 -0.000 0.000 0.215 419 G C 2.048 177.204 174.900 0.426 0.000 1.147 419 G CA 2.277 47.629 45.100 0.420 0.000 0.802 419 G HN 1.758 nan 8.290 nan 0.000 0.535 420 A N 0.095 123.062 122.820 0.244 0.000 2.067 420 A HA 0.037 4.357 4.320 -0.000 0.000 0.219 420 A C 2.056 179.637 177.584 -0.005 0.000 1.158 420 A CA 1.476 53.403 52.037 -0.184 0.000 0.661 420 A CB -0.538 18.081 19.000 -0.634 0.000 0.801 420 A HN 0.484 nan 8.150 nan 0.000 0.452 421 Y N 1.470 121.759 120.300 -0.017 0.000 2.097 421 Y HA -0.266 4.284 4.550 -0.000 0.000 0.282 421 Y C 1.939 177.837 175.900 -0.003 0.000 1.152 421 Y CA 2.112 60.196 58.100 -0.025 0.000 1.136 421 Y CB -0.942 37.527 38.460 0.015 0.000 0.975 421 Y HN 0.450 nan 8.280 nan 0.000 0.498 422 N N -0.338 118.183 118.700 -0.299 0.000 2.043 422 N HA -0.209 4.531 4.740 -0.000 0.000 0.193 422 N C 1.832 177.227 175.510 -0.192 0.000 1.037 422 N CA 2.062 54.890 53.050 -0.369 0.000 0.851 422 N CB -0.363 38.045 38.487 -0.131 0.000 1.027 422 N HN 0.213 nan 8.380 nan 0.000 0.422 423 V N 1.192 121.100 119.914 -0.010 0.000 2.278 423 V HA -0.214 3.906 4.120 -0.000 0.000 0.251 423 V C 1.248 177.386 176.094 0.074 0.000 1.062 423 V CA 1.278 63.633 62.300 0.092 0.000 1.038 423 V CB -0.384 31.540 31.823 0.168 0.000 0.646 423 V HN 0.446 nan 8.190 nan 0.000 0.447 424 M N 0.697 120.269 119.600 -0.048 0.000 3.596 424 M HA 0.268 4.748 4.480 -0.000 0.000 0.219 424 M C 1.342 177.439 176.300 -0.339 0.000 1.471 424 M CA 0.480 55.726 55.300 -0.089 0.000 1.644 424 M CB -1.134 31.416 32.600 -0.084 0.000 1.083 424 M HN 0.517 nan 8.290 nan 0.000 0.579 425 G N 1.680 110.078 108.800 -0.670 0.000 2.283 425 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.280 425 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.280 425 G C 0.521 175.062 174.900 -0.598 0.000 1.029 425 G CA 0.638 45.096 45.100 -1.069 0.000 0.840 425 G HN 0.745 nan 8.290 nan 0.000 0.505 426 S N -1.201 114.187 115.700 -0.521 0.000 2.572 426 S HA 0.223 4.692 4.470 -0.000 0.000 0.267 426 S C 1.525 175.854 174.600 -0.453 0.000 1.361 426 S CA 0.709 58.588 58.200 -0.534 0.000 1.009 426 S CB 1.171 63.859 63.200 -0.853 0.000 0.888 426 S HN 0.554 nan 8.310 nan 0.000 0.553 427 K N 0.115 120.213 120.400 -0.504 0.000 2.209 427 K HA -0.164 4.156 4.320 -0.000 0.000 0.204 427 K C 1.623 177.983 176.600 -0.401 0.000 1.048 427 K CA 1.431 57.463 56.287 -0.425 0.000 0.940 427 K CB -0.316 31.948 32.500 -0.393 0.000 0.729 427 K HN 0.752 nan 8.250 nan 0.000 0.451 428 H N 0.196 119.133 119.070 -0.222 0.000 2.491 428 H HA -0.056 4.500 4.556 -0.000 0.000 0.290 428 H C 1.548 176.776 175.328 -0.166 0.000 1.050 428 H CA 0.864 56.789 56.048 -0.204 0.000 1.309 428 H CB 0.058 29.664 29.762 -0.259 0.000 1.392 428 H HN 0.222 nan 8.280 nan 0.000 0.554 429 L N -0.256 120.898 121.223 -0.114 0.000 2.612 429 L HA 0.190 4.530 4.340 -0.000 0.000 0.230 429 L C 1.272 178.091 176.870 -0.085 0.000 1.140 429 L CA 0.536 55.321 54.840 -0.092 0.000 0.896 429 L CB 0.231 42.235 42.059 -0.092 0.000 1.065 429 L HN 0.394 nan 8.230 nan 0.000 0.447 430 G N -0.102 108.638 108.800 -0.100 0.000 2.179 430 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 430 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 430 G C 0.435 175.282 174.900 -0.087 0.000 0.990 430 G CA -0.151 44.904 45.100 -0.075 0.000 0.646 430 G HN 0.446 nan 8.290 nan 0.000 0.517 431 A N 0.558 123.293 122.820 -0.142 0.000 2.511 431 A HA 0.485 4.805 4.320 -0.000 0.000 0.242 431 A C 1.290 178.811 177.584 -0.105 0.000 1.069 431 A CA 1.002 52.951 52.037 -0.147 0.000 0.763 431 A CB 0.264 19.125 19.000 -0.231 0.000 1.001 431 A HN 0.289 nan 8.150 nan 0.000 0.498 432 D N 0.748 121.105 120.400 -0.072 0.000 2.162 432 D HA 0.020 4.660 4.640 -0.000 0.000 0.203 432 D C -0.246 176.028 176.300 -0.043 0.000 0.967 432 D CA 1.181 55.155 54.000 -0.043 0.000 0.840 432 D CB 0.066 40.854 40.800 -0.019 0.000 0.972 432 D HN 0.292 nan 8.370 nan 0.000 0.482 433 L N 1.239 122.426 121.223 -0.060 0.000 2.404 433 L HA 0.292 4.632 4.340 -0.000 0.000 0.272 433 L C -1.310 175.505 176.870 -0.093 0.000 0.980 433 L CA -0.463 54.345 54.840 -0.053 0.000 0.836 433 L CB 1.744 43.791 42.059 -0.019 0.000 1.238 433 L HN -0.251 nan 8.230 nan 0.000 0.408 434 N N 4.929 123.578 118.700 -0.086 0.000 2.442 434 N HA 0.778 5.518 4.740 -0.000 0.000 0.274 434 N C -1.417 174.041 175.510 -0.086 0.000 1.002 434 N CA -0.409 52.581 53.050 -0.101 0.000 0.910 434 N CB 1.589 40.019 38.487 -0.095 0.000 1.244 434 N HN 0.355 nan 8.380 nan 0.000 0.492 435 L N 0.994 122.150 121.223 -0.111 0.000 2.370 435 L HA 0.973 5.313 4.340 -0.000 0.000 0.266 435 L C -0.562 176.251 176.870 -0.096 0.000 1.002 435 L CA -1.188 53.586 54.840 -0.109 0.000 0.818 435 L CB 2.043 44.007 42.059 -0.158 0.000 1.325 435 L HN 0.469 nan 8.230 nan 0.000 0.418 436 A N 0.847 123.640 122.820 -0.045 0.000 2.449 436 A HA 0.781 5.101 4.320 -0.000 0.000 0.302 436 A C -1.678 175.984 177.584 0.130 0.000 1.048 436 A CA -0.485 51.522 52.037 -0.050 0.000 0.708 436 A CB 1.121 20.065 19.000 -0.093 0.000 1.274 436 A HN 0.544 nan 8.150 nan 0.000 0.410 437 W N 1.276 122.525 121.300 -0.085 0.000 2.141 437 W HA 0.452 5.112 4.660 0.000 0.000 0.354 437 W C -1.991 174.461 176.519 -0.113 0.000 1.297 437 W CA -1.950 55.351 57.345 -0.073 0.000 1.380 437 W CB -0.278 29.151 29.460 -0.051 0.000 1.168 437 W HN 0.478 nan 8.180 nan 0.000 0.639 438 P HA -0.110 nan 4.420 nan 0.000 0.234 438 P C 1.391 178.727 177.300 0.060 0.000 1.167 438 P CA 1.753 64.883 63.100 0.050 0.000 0.763 438 P CB 0.009 31.772 31.700 0.105 0.000 0.835 439 T N -2.376 112.257 114.554 0.131 0.000 3.081 439 T HA 0.252 4.602 4.350 -0.000 0.000 0.255 439 T C 0.832 175.568 174.700 0.060 0.000 1.113 439 T CA -0.104 62.067 62.100 0.118 0.000 1.082 439 T CB -0.675 68.308 68.868 0.192 0.000 0.939 439 T HN -0.011 nan 8.240 nan 0.000 0.506 440 A N 1.733 124.561 122.820 0.013 0.000 2.524 440 A HA 0.391 4.711 4.320 -0.000 0.000 0.250 440 A C -0.013 177.524 177.584 -0.078 0.000 1.078 440 A CA -0.152 51.843 52.037 -0.071 0.000 0.761 440 A CB -0.014 18.916 19.000 -0.117 0.000 1.012 440 A HN 0.696 nan 8.150 nan 0.000 0.500 441 Q N 2.025 121.773 119.800 -0.087 0.000 2.400 441 Q HA 0.495 4.835 4.340 -0.000 0.000 0.255 441 Q C -1.140 174.810 176.000 -0.084 0.000 1.008 441 Q CA 0.107 55.897 55.803 -0.022 0.000 0.841 441 Q CB 1.532 30.326 28.738 0.093 0.000 1.220 441 Q HN 0.716 nan 8.270 nan 0.000 0.474 442 I N 2.365 122.898 120.570 -0.063 0.000 2.330 442 I HA 0.746 4.916 4.170 -0.000 0.000 0.289 442 I C -0.258 175.851 176.117 -0.014 0.000 1.001 442 I CA -0.428 60.797 61.300 -0.125 0.000 1.193 442 I CB 1.271 39.155 38.000 -0.193 0.000 1.345 442 I HN 0.649 nan 8.210 nan 0.000 0.461 443 A N 4.122 126.971 122.820 0.049 0.000 2.569 443 A HA 0.423 4.743 4.320 -0.000 0.000 0.292 443 A C 0.295 177.973 177.584 0.157 0.000 1.032 443 A CA -0.412 51.692 52.037 0.113 0.000 0.669 443 A CB 0.714 19.804 19.000 0.150 0.000 1.290 443 A HN 0.579 nan 8.150 nan 0.000 0.422 444 V N -1.128 118.842 119.914 0.093 0.000 2.970 444 V HA 0.330 4.450 4.120 -0.000 0.000 0.260 444 V C 0.583 176.729 176.094 0.087 0.000 1.100 444 V CA 2.080 64.439 62.300 0.098 0.000 1.122 444 V CB -1.640 30.216 31.823 0.056 0.000 0.721 444 V HN 1.645 nan 8.190 nan 0.000 0.483 445 M N -1.684 117.922 119.600 0.009 0.000 2.822 445 M HA 0.629 5.109 4.480 -0.000 0.000 0.275 445 M C -0.232 175.832 176.300 -0.393 0.000 1.084 445 M CA -0.194 55.009 55.300 -0.162 0.000 0.814 445 M CB 0.856 33.400 32.600 -0.093 0.000 1.693 445 M HN 0.097 nan 8.290 nan 0.000 0.531 446 G N 0.622 109.008 108.800 -0.692 0.000 2.559 446 G HA2 0.428 4.388 3.960 -0.000 0.000 0.235 446 G HA3 0.428 4.388 3.960 -0.000 0.000 0.235 446 G C 0.857 175.598 174.900 -0.266 0.000 1.266 446 G CA -0.059 44.640 45.100 -0.668 0.000 0.847 446 G HN 1.175 nan 8.290 nan 0.000 0.583 447 A N 0.952 123.681 122.820 -0.152 0.000 2.076 447 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 447 A C 2.376 179.947 177.584 -0.022 0.000 1.160 447 A CA 2.013 54.030 52.037 -0.033 0.000 0.653 447 A CB -0.302 18.717 19.000 0.031 0.000 0.801 447 A HN 0.780 nan 8.150 nan 0.000 0.455 448 Q N -0.476 119.290 119.800 -0.057 0.000 1.889 448 Q HA -0.105 4.235 4.340 -0.000 0.000 0.211 448 Q C 2.070 178.052 176.000 -0.030 0.000 0.988 448 Q CA 1.712 57.495 55.803 -0.033 0.000 0.861 448 Q CB -1.508 27.204 28.738 -0.044 0.000 0.922 448 Q HN 0.422 nan 8.270 nan 0.000 0.425 449 G N 0.392 109.159 108.800 -0.056 0.000 2.586 449 G HA2 0.035 3.995 3.960 -0.000 0.000 0.215 449 G HA3 0.035 3.995 3.960 -0.000 0.000 0.215 449 G C 1.378 176.252 174.900 -0.043 0.000 1.128 449 G CA 0.900 45.974 45.100 -0.043 0.000 0.774 449 G HN 0.546 nan 8.290 nan 0.000 0.543 450 A N -0.175 122.614 122.820 -0.051 0.000 1.887 450 A HA 0.288 4.608 4.320 -0.000 0.000 0.212 450 A C 2.471 180.028 177.584 -0.045 0.000 1.198 450 A CA 1.204 53.203 52.037 -0.064 0.000 0.628 450 A CB -0.294 18.657 19.000 -0.080 0.000 0.847 450 A HN 0.167 nan 8.150 nan 0.000 0.449 451 V N 2.598 122.537 119.914 0.041 0.000 2.379 451 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 451 V C 2.069 178.290 176.094 0.211 0.000 1.044 451 V CA 1.845 64.266 62.300 0.202 0.000 1.036 451 V CB -1.101 30.867 31.823 0.241 0.000 0.664 451 V HN 0.860 nan 8.190 nan 0.000 0.453 452 N N 0.209 118.967 118.700 0.096 0.000 2.635 452 N HA -0.085 4.655 4.740 -0.000 0.000 0.191 452 N C 1.205 176.740 175.510 0.041 0.000 1.155 452 N CA 1.211 54.301 53.050 0.068 0.000 0.927 452 N CB -0.099 38.408 38.487 0.033 0.000 0.976 452 N HN 0.537 nan 8.380 nan 0.000 0.448 453 I N -0.829 119.750 120.570 0.015 0.000 4.033 453 I HA 0.076 4.246 4.170 -0.000 0.000 0.296 453 I C 1.826 177.894 176.117 -0.082 0.000 1.210 453 I CA -0.089 61.194 61.300 -0.028 0.000 1.341 453 I CB 0.223 38.197 38.000 -0.043 0.000 1.369 453 I HN -0.061 nan 8.210 nan 0.000 0.453 454 L N 1.176 122.288 121.223 -0.185 0.000 2.141 454 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 454 L C 0.558 177.181 176.870 -0.411 0.000 1.094 454 L CA 1.291 55.882 54.840 -0.416 0.000 0.763 454 L CB -0.247 41.347 42.059 -0.776 0.000 0.908 454 L HN 0.410 nan 8.230 nan 0.000 0.437 455 H N -2.468 116.582 119.070 -0.033 0.000 2.596 455 H HA 0.244 4.800 4.556 -0.000 0.000 0.240 455 H C 0.419 175.748 175.328 0.001 0.000 1.406 455 H CA -0.491 55.553 56.048 -0.007 0.000 1.504 455 H CB 0.494 30.265 29.762 0.016 0.000 1.688 455 H HN -0.019 nan 8.280 nan 0.000 0.546 456 R N 2.217 122.785 120.500 0.114 0.000 2.276 456 R HA -0.017 4.323 4.340 -0.000 0.000 0.196 456 R C 1.432 177.765 176.300 0.055 0.000 0.961 456 R CA 0.179 56.322 56.100 0.071 0.000 1.024 456 R CB 0.175 30.499 30.300 0.040 0.000 0.940 456 R HN 0.450 nan 8.270 nan 0.000 0.480 457 R N 0.118 120.656 120.500 0.063 0.000 2.535 457 R HA 0.043 4.383 4.340 -0.000 0.000 0.233 457 R C -0.404 175.929 176.300 0.054 0.000 1.202 457 R CA 0.916 57.046 56.100 0.050 0.000 1.205 457 R CB -0.232 30.094 30.300 0.045 0.000 1.153 457 R HN -0.105 nan 8.270 nan 0.000 0.512 458 T N -1.291 113.295 114.554 0.053 0.000 3.515 458 T HA 0.115 4.465 4.350 -0.000 0.000 0.306 458 T C 0.845 175.549 174.700 0.007 0.000 0.881 458 T CA 0.083 62.199 62.100 0.026 0.000 0.930 458 T CB -0.260 68.615 68.868 0.013 0.000 1.206 458 T HN 0.380 nan 8.240 nan 0.000 0.662 459 I N -0.938 119.643 120.570 0.019 0.000 3.196 459 I HA 0.610 4.780 4.170 -0.000 0.000 0.248 459 I C 2.188 178.311 176.117 0.009 0.000 1.105 459 I CA 0.117 61.424 61.300 0.011 0.000 1.482 459 I CB -0.381 37.629 38.000 0.017 0.000 1.400 459 I HN 0.015 nan 8.210 nan 0.000 0.464 460 A N 0.216 123.044 122.820 0.013 0.000 2.238 460 A HA 0.091 4.411 4.320 -0.000 0.000 0.208 460 A C 0.545 178.135 177.584 0.010 0.000 1.177 460 A CA 0.393 52.436 52.037 0.010 0.000 0.804 460 A CB -0.594 18.412 19.000 0.010 0.000 0.823 460 A HN 0.645 nan 8.150 nan 0.000 0.482 461 D N -2.159 118.249 120.400 0.012 0.000 2.671 461 D HA 0.450 5.090 4.640 -0.000 0.000 0.232 461 D C 0.469 176.776 176.300 0.011 0.000 1.114 461 D CA 0.220 54.228 54.000 0.012 0.000 0.858 461 D CB 1.822 42.632 40.800 0.017 0.000 1.544 461 D HN 0.507 nan 8.370 nan 0.000 0.471 462 A N 1.461 124.287 122.820 0.009 0.000 2.910 462 A HA -0.096 4.224 4.320 -0.000 0.000 0.267 462 A C 0.687 178.273 177.584 0.003 0.000 1.310 462 A CA 1.647 53.689 52.037 0.008 0.000 0.934 462 A CB -1.978 17.029 19.000 0.011 0.000 1.057 462 A HN 0.721 nan 8.150 nan 0.000 0.742 463 G N -2.307 106.494 108.800 0.002 0.000 2.498 463 G HA2 0.532 4.492 3.960 -0.000 0.000 0.312 463 G HA3 0.532 4.492 3.960 -0.000 0.000 0.312 463 G C 0.111 175.011 174.900 -0.001 0.000 1.230 463 G CA 0.608 45.707 45.100 -0.001 0.000 0.968 463 G HN 0.187 nan 8.290 nan 0.000 0.481 464 D N -0.047 120.351 120.400 -0.003 0.000 2.648 464 D HA -0.002 4.638 4.640 -0.000 0.000 0.261 464 D C 0.030 176.328 176.300 -0.002 0.000 1.261 464 D CA 0.383 54.382 54.000 -0.002 0.000 1.011 464 D CB 0.061 40.860 40.800 -0.003 0.000 1.092 464 D HN 0.403 nan 8.370 nan 0.000 0.417 465 D N 0.709 121.107 120.400 -0.004 0.000 2.417 465 D HA 0.293 4.933 4.640 -0.000 0.000 0.250 465 D C 0.790 177.088 176.300 -0.003 0.000 1.166 465 D CA 0.268 54.266 54.000 -0.003 0.000 0.881 465 D CB 1.239 42.036 40.800 -0.005 0.000 1.164 465 D HN 0.206 nan 8.370 nan 0.000 0.467 466 A N 3.345 126.164 122.820 -0.001 0.000 2.093 466 A HA -0.257 4.063 4.320 -0.000 0.000 0.222 466 A C 1.366 178.950 177.584 -0.001 0.000 1.162 466 A CA 1.437 53.474 52.037 -0.000 0.000 0.655 466 A CB -0.242 18.758 19.000 0.001 0.000 0.805 466 A HN 0.700 nan 8.150 nan 0.000 0.461 467 E N -1.682 118.516 120.200 -0.002 0.000 3.575 467 E HA 0.535 4.885 4.350 -0.000 0.000 0.201 467 E C 1.024 177.620 176.600 -0.007 0.000 0.999 467 E CA 0.336 56.734 56.400 -0.003 0.000 1.315 467 E CB 0.099 29.798 29.700 -0.001 0.000 1.146 467 E HN 0.407 nan 8.360 nan 0.000 0.453 468 A N -0.203 122.611 122.820 -0.010 0.000 1.877 468 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 468 A C 1.954 179.526 177.584 -0.021 0.000 1.186 468 A CA 1.981 54.010 52.037 -0.014 0.000 0.620 468 A CB -0.253 18.739 19.000 -0.014 0.000 0.822 468 A HN 0.348 nan 8.150 nan 0.000 0.443 469 T N -2.158 112.379 114.554 -0.029 0.000 3.044 469 T HA 0.221 4.571 4.350 -0.000 0.000 0.260 469 T C 1.120 175.799 174.700 -0.036 0.000 1.019 469 T CA -0.239 61.835 62.100 -0.044 0.000 0.921 469 T CB 0.132 68.955 68.868 -0.076 0.000 1.053 469 T HN 0.365 nan 8.240 nan 0.000 0.533 470 R N 1.314 121.804 120.500 -0.018 0.000 2.535 470 R HA 0.442 4.782 4.340 -0.000 0.000 0.233 470 R C 1.161 177.462 176.300 0.002 0.000 1.202 470 R CA 0.205 56.303 56.100 -0.003 0.000 1.205 470 R CB -0.106 30.196 30.300 0.003 0.000 1.153 470 R HN 0.410 nan 8.270 nan 0.000 0.512 471 A N -0.722 122.096 122.820 -0.004 0.000 2.710 471 A HA 0.140 4.460 4.320 -0.000 0.000 0.212 471 A C 1.465 179.045 177.584 -0.005 0.000 1.358 471 A CA -0.354 51.683 52.037 -0.000 0.000 1.048 471 A CB 0.448 19.447 19.000 -0.003 0.000 1.345 471 A HN 0.169 nan 8.150 nan 0.000 0.583 472 R N -1.293 119.197 120.500 -0.016 0.000 2.493 472 R HA 0.234 4.574 4.340 -0.000 0.000 0.177 472 R C 1.083 177.355 176.300 -0.047 0.000 0.861 472 R CA 0.465 56.546 56.100 -0.032 0.000 1.083 472 R CB -0.245 30.032 30.300 -0.039 0.000 1.328 472 R HN 0.269 nan 8.270 nan 0.000 0.615 473 L N 1.925 123.118 121.223 -0.050 0.000 2.191 473 L HA 0.000 4.340 4.340 -0.000 0.000 0.212 473 L C 2.135 179.073 176.870 0.114 0.000 1.103 473 L CA 1.329 56.146 54.840 -0.038 0.000 0.769 473 L CB -0.339 41.631 42.059 -0.149 0.000 0.908 473 L HN 0.250 nan 8.230 nan 0.000 0.438 474 I N -1.688 118.931 120.570 0.083 0.000 2.162 474 I HA -0.303 3.867 4.170 -0.000 0.000 0.238 474 I C 2.454 178.625 176.117 0.090 0.000 1.076 474 I CA 0.929 62.300 61.300 0.118 0.000 1.353 474 I CB -0.228 37.811 38.000 0.064 0.000 1.063 474 I HN 0.250 nan 8.210 nan 0.000 0.408 475 Q N 1.236 121.055 119.800 0.032 0.000 2.096 475 Q HA -0.311 4.029 4.340 -0.000 0.000 0.208 475 Q C 1.976 177.967 176.000 -0.015 0.000 0.993 475 Q CA 2.297 58.107 55.803 0.011 0.000 0.862 475 Q CB -0.321 28.411 28.738 -0.010 0.000 0.915 475 Q HN 0.466 nan 8.270 nan 0.000 0.416 476 E N -1.711 118.437 120.200 -0.088 0.000 2.051 476 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 476 E C 1.614 178.067 176.600 -0.245 0.000 0.991 476 E CA 1.340 57.607 56.400 -0.222 0.000 0.799 476 E CB -0.169 29.298 29.700 -0.389 0.000 0.748 476 E HN 0.540 nan 8.360 nan 0.000 0.449 477 Y N 0.591 120.920 120.300 0.047 0.000 2.314 477 Y HA 0.003 4.553 4.550 -0.000 0.000 0.294 477 Y C 2.302 178.233 175.900 0.052 0.000 1.119 477 Y CA 1.106 59.240 58.100 0.056 0.000 1.179 477 Y CB -0.330 38.175 38.460 0.074 0.000 1.025 477 Y HN 0.133 nan 8.280 nan 0.000 0.541 478 E N 0.523 120.835 120.200 0.186 0.000 2.171 478 E HA -0.246 4.104 4.350 -0.000 0.000 0.197 478 E C 1.084 177.747 176.600 0.104 0.000 0.997 478 E CA 1.598 58.075 56.400 0.128 0.000 0.810 478 E CB 0.003 29.761 29.700 0.097 0.000 0.738 478 E HN 0.419 nan 8.360 nan 0.000 0.467 479 D N -0.306 120.138 120.400 0.074 0.000 2.103 479 D HA -0.068 4.572 4.640 -0.000 0.000 0.199 479 D C 1.541 177.890 176.300 0.081 0.000 0.978 479 D CA 1.420 55.457 54.000 0.061 0.000 0.829 479 D CB -0.159 40.653 40.800 0.021 0.000 0.981 479 D HN 0.262 nan 8.370 nan 0.000 0.464 480 A N -0.725 122.144 122.820 0.083 0.000 2.251 480 A HA 0.135 4.455 4.320 -0.000 0.000 0.209 480 A C 1.576 179.242 177.584 0.136 0.000 1.187 480 A CA 0.515 52.612 52.037 0.100 0.000 0.823 480 A CB 0.164 19.215 19.000 0.084 0.000 0.846 480 A HN 0.137 nan 8.150 nan 0.000 0.486 481 L N -1.980 119.331 121.223 0.147 0.000 2.815 481 L HA 0.317 4.657 4.340 -0.000 0.000 0.241 481 L C 0.938 177.878 176.870 0.116 0.000 1.047 481 L CA 0.703 55.623 54.840 0.134 0.000 0.939 481 L CB 0.031 42.179 42.059 0.148 0.000 1.490 481 L HN 0.213 nan 8.230 nan 0.000 0.510 482 L N 2.372 123.670 121.223 0.127 0.000 2.862 482 L HA 0.135 4.475 4.340 -0.000 0.000 0.240 482 L C -0.321 176.608 176.870 0.099 0.000 1.283 482 L CA -0.066 54.852 54.840 0.130 0.000 1.117 482 L CB -1.579 40.572 42.059 0.155 0.000 1.444 482 L HN 0.412 nan 8.230 nan 0.000 0.456 483 N N -0.308 118.445 118.700 0.088 0.000 2.483 483 N HA 0.407 5.147 4.740 -0.000 0.000 0.285 483 N C -2.168 173.281 175.510 -0.101 0.000 1.210 483 N CA -2.213 50.859 53.050 0.036 0.000 0.931 483 N CB 0.308 38.945 38.487 0.251 0.000 1.220 483 N HN -0.222 nan 8.380 nan 0.000 0.542 484 P HA 0.056 nan 4.420 nan 0.000 0.255 484 P C 0.139 177.252 177.300 -0.312 0.000 1.248 484 P CA 0.529 63.425 63.100 -0.339 0.000 0.807 484 P CB -0.124 31.330 31.700 -0.409 0.000 1.150 485 Y N 0.015 120.319 120.300 0.007 0.000 2.395 485 Y HA -0.079 4.471 4.550 -0.000 0.000 0.293 485 Y C 2.572 178.458 175.900 -0.022 0.000 1.123 485 Y CA 1.102 59.201 58.100 -0.002 0.000 1.227 485 Y CB -1.143 37.322 38.460 0.007 0.000 1.012 485 Y HN -0.054 nan 8.280 nan 0.000 0.552 486 T N 0.178 114.785 114.554 0.087 0.000 2.643 486 T HA -0.259 4.091 4.350 -0.000 0.000 0.264 486 T C 2.315 176.976 174.700 -0.065 0.000 1.045 486 T CA 1.477 63.586 62.100 0.016 0.000 1.155 486 T CB -0.687 68.185 68.868 0.007 0.000 0.863 486 T HN 0.455 nan 8.240 nan 0.000 0.420 487 A N 1.597 124.373 122.820 -0.073 0.000 1.948 487 A HA 0.015 4.335 4.320 -0.000 0.000 0.220 487 A C 2.639 180.163 177.584 -0.100 0.000 1.177 487 A CA 2.074 54.044 52.037 -0.111 0.000 0.636 487 A CB -1.179 17.828 19.000 0.012 0.000 0.815 487 A HN 0.539 nan 8.150 nan 0.000 0.449 488 A N -0.148 122.656 122.820 -0.026 0.000 1.978 488 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 488 A C 1.866 179.448 177.584 -0.003 0.000 1.170 488 A CA 1.691 53.738 52.037 0.017 0.000 0.636 488 A CB -0.518 18.541 19.000 0.098 0.000 0.810 488 A HN 0.698 nan 8.150 nan 0.000 0.448 489 E N -0.516 119.667 120.200 -0.027 0.000 2.051 489 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 489 E C 2.187 178.730 176.600 -0.096 0.000 0.991 489 E CA 1.050 57.425 56.400 -0.043 0.000 0.799 489 E CB -0.188 29.485 29.700 -0.045 0.000 0.748 489 E HN 0.478 nan 8.360 nan 0.000 0.449 490 R N -0.572 119.793 120.500 -0.225 0.000 2.240 490 R HA 0.014 4.354 4.340 -0.000 0.000 0.203 490 R C 1.141 177.342 176.300 -0.165 0.000 1.011 490 R CA 0.745 56.646 56.100 -0.332 0.000 1.007 490 R CB 0.406 30.162 30.300 -0.907 0.000 0.911 490 R HN 0.360 nan 8.270 nan 0.000 0.468 491 G N 0.082 108.834 108.800 -0.080 0.000 2.141 491 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.231 491 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.231 491 G C 0.572 175.589 174.900 0.195 0.000 0.984 491 G CA 0.056 45.191 45.100 0.060 0.000 0.660 491 G HN 0.471 nan 8.290 nan 0.000 0.525 492 Y N -0.101 120.231 120.300 0.053 0.000 2.421 492 Y HA 0.108 4.658 4.550 -0.000 0.000 0.292 492 Y C 1.613 177.501 175.900 -0.020 0.000 1.136 492 Y CA 0.939 59.062 58.100 0.038 0.000 1.255 492 Y CB 0.266 38.828 38.460 0.170 0.000 0.991 492 Y HN 0.425 nan 8.280 nan 0.000 0.552 493 V N -2.872 117.124 119.914 0.138 0.000 2.444 493 V HA 0.201 4.321 4.120 -0.000 0.000 0.294 493 V C 0.101 176.212 176.094 0.028 0.000 1.022 493 V CA -1.179 61.148 62.300 0.045 0.000 0.850 493 V CB 1.783 33.612 31.823 0.011 0.000 0.992 493 V HN 0.108 nan 8.190 nan 0.000 0.426 494 D N 3.144 123.548 120.400 0.008 0.000 2.190 494 D HA 0.053 4.693 4.640 -0.000 0.000 0.200 494 D C 0.791 177.103 176.300 0.019 0.000 0.992 494 D CA 2.231 56.240 54.000 0.014 0.000 0.854 494 D CB 0.519 41.322 40.800 0.005 0.000 0.936 494 D HN 1.000 nan 8.370 nan 0.000 0.462 495 A N -0.380 122.439 122.820 -0.002 0.000 2.583 495 A HA 0.408 4.728 4.320 -0.000 0.000 0.292 495 A C -1.592 175.989 177.584 -0.004 0.000 1.045 495 A CA -0.628 51.417 52.037 0.013 0.000 0.672 495 A CB 1.669 20.685 19.000 0.028 0.000 1.283 495 A HN -0.033 nan 8.150 nan 0.000 0.419 496 V N 3.255 123.193 119.914 0.040 0.000 2.384 496 V HA 0.805 4.925 4.120 -0.000 0.000 0.287 496 V C -0.363 175.781 176.094 0.084 0.000 1.020 496 V CA -0.327 62.000 62.300 0.046 0.000 0.850 496 V CB 0.676 32.505 31.823 0.011 0.000 0.987 496 V HN 1.207 nan 8.190 nan 0.000 0.436 497 I N 4.157 124.783 120.570 0.093 0.000 3.002 497 I HA 0.637 4.807 4.170 -0.000 0.000 0.310 497 I C -0.326 175.813 176.117 0.035 0.000 1.087 497 I CA -1.237 60.118 61.300 0.092 0.000 1.017 497 I CB 2.312 40.352 38.000 0.066 0.000 1.226 497 I HN 0.405 nan 8.210 nan 0.000 0.443 498 M N 2.787 122.376 119.600 -0.018 0.000 2.245 498 M HA 0.225 4.705 4.480 -0.000 0.000 0.344 498 M C -1.739 174.327 176.300 -0.391 0.000 1.170 498 M CA -1.781 53.416 55.300 -0.172 0.000 1.135 498 M CB -0.132 32.403 32.600 -0.108 0.000 1.574 498 M HN 0.414 nan 8.290 nan 0.000 0.452 499 P HA -0.147 nan 4.420 nan 0.000 0.216 499 P C 1.481 178.461 177.300 -0.534 0.000 1.150 499 P CA 1.719 63.913 63.100 -1.510 0.000 0.843 499 P CB -0.075 30.425 31.700 -1.999 0.000 0.787 500 S N -1.081 114.422 115.700 -0.329 0.000 2.400 500 S HA -0.190 4.280 4.470 -0.000 0.000 0.232 500 S C 1.612 176.202 174.600 -0.017 0.000 1.025 500 S CA 1.543 59.668 58.200 -0.126 0.000 0.993 500 S CB -1.205 61.938 63.200 -0.096 0.000 0.808 500 S HN 0.083 nan 8.310 nan 0.000 0.478 501 D N 1.388 121.794 120.400 0.010 0.000 2.340 501 D HA 0.053 4.693 4.640 -0.000 0.000 0.220 501 D C 2.068 178.517 176.300 0.248 0.000 1.039 501 D CA 1.135 55.207 54.000 0.120 0.000 0.866 501 D CB -0.052 40.837 40.800 0.149 0.000 0.913 501 D HN 0.768 nan 8.370 nan 0.000 0.523 502 T N -1.178 113.538 114.554 0.269 0.000 2.777 502 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 502 T C 1.974 176.863 174.700 0.315 0.000 1.040 502 T CA 0.778 63.102 62.100 0.374 0.000 1.141 502 T CB 0.018 69.214 68.868 0.546 0.000 0.868 502 T HN 0.058 nan 8.240 nan 0.000 0.444 503 R N 0.949 121.600 120.500 0.252 0.000 2.081 503 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 503 R C 2.816 179.213 176.300 0.161 0.000 1.131 503 R CA 1.227 57.450 56.100 0.206 0.000 0.960 503 R CB -0.178 30.218 30.300 0.160 0.000 0.856 503 R HN 0.459 nan 8.270 nan 0.000 0.436 504 R N -0.725 119.851 120.500 0.127 0.000 2.081 504 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 504 R C 2.310 178.638 176.300 0.046 0.000 1.131 504 R CA 1.358 57.493 56.100 0.059 0.000 0.960 504 R CB -0.719 29.585 30.300 0.007 0.000 0.856 504 R HN 0.469 nan 8.270 nan 0.000 0.436 505 H N 0.819 119.941 119.070 0.088 0.000 2.321 505 H HA -0.057 4.499 4.556 -0.000 0.000 0.300 505 H C 2.290 177.664 175.328 0.077 0.000 1.087 505 H CA 1.554 57.650 56.048 0.081 0.000 1.319 505 H CB -0.051 29.768 29.762 0.095 0.000 1.379 505 H HN 0.167 nan 8.280 nan 0.000 0.501 506 I N -0.040 120.667 120.570 0.229 0.000 2.113 506 I HA -0.253 3.917 4.170 -0.000 0.000 0.238 506 I C 2.617 178.810 176.117 0.126 0.000 1.070 506 I CA 0.827 62.224 61.300 0.162 0.000 1.332 506 I CB -0.366 37.744 38.000 0.184 0.000 1.044 506 I HN 0.009 nan 8.210 nan 0.000 0.402 507 V N 0.973 120.959 119.914 0.120 0.000 2.278 507 V HA -0.359 3.761 4.120 -0.000 0.000 0.251 507 V C 2.656 178.793 176.094 0.071 0.000 1.062 507 V CA 2.391 64.747 62.300 0.093 0.000 1.038 507 V CB -0.783 31.087 31.823 0.079 0.000 0.646 507 V HN 0.437 nan 8.190 nan 0.000 0.447 508 R N -0.326 120.211 120.500 0.061 0.000 2.075 508 R HA -0.040 4.300 4.340 -0.000 0.000 0.226 508 R C 2.356 178.688 176.300 0.053 0.000 1.114 508 R CA 1.368 57.493 56.100 0.041 0.000 0.972 508 R CB -0.638 29.666 30.300 0.007 0.000 0.869 508 R HN 0.523 nan 8.270 nan 0.000 0.437 509 G N 1.200 110.045 108.800 0.076 0.000 2.421 509 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 509 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 509 G C 1.438 176.373 174.900 0.059 0.000 1.171 509 G CA 0.649 45.794 45.100 0.073 0.000 0.775 509 G HN 0.221 nan 8.290 nan 0.000 0.543 510 L N -0.305 120.957 121.223 0.065 0.000 2.079 510 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 510 L C 3.146 180.048 176.870 0.053 0.000 1.081 510 L CA 1.018 55.895 54.840 0.062 0.000 0.752 510 L CB -0.378 41.727 42.059 0.077 0.000 0.896 510 L HN 0.177 nan 8.230 nan 0.000 0.433 511 R N -0.423 120.107 120.500 0.050 0.000 2.081 511 R HA -0.215 4.125 4.340 -0.000 0.000 0.235 511 R C 2.357 178.678 176.300 0.034 0.000 1.131 511 R CA 1.478 57.602 56.100 0.040 0.000 0.960 511 R CB -0.204 30.118 30.300 0.035 0.000 0.856 511 R HN 0.239 nan 8.270 nan 0.000 0.436 512 Q N 0.635 120.457 119.800 0.035 0.000 2.079 512 Q HA -0.024 4.316 4.340 -0.000 0.000 0.200 512 Q C 1.734 177.752 176.000 0.029 0.000 0.974 512 Q CA 1.310 57.131 55.803 0.030 0.000 0.840 512 Q CB 0.084 28.842 28.738 0.033 0.000 0.898 512 Q HN 0.303 nan 8.270 nan 0.000 0.430 513 L N -0.331 120.912 121.223 0.033 0.000 2.599 513 L HA 0.087 4.427 4.340 -0.000 0.000 0.230 513 L C 2.109 178.997 176.870 0.031 0.000 1.141 513 L CA 0.147 55.005 54.840 0.030 0.000 0.877 513 L CB -0.220 41.857 42.059 0.031 0.000 1.009 513 L HN 0.131 nan 8.230 nan 0.000 0.447 514 R N 0.485 121.005 120.500 0.033 0.000 2.139 514 R HA -0.156 4.184 4.340 -0.000 0.000 0.243 514 R C 1.497 177.812 176.300 0.025 0.000 1.145 514 R CA 1.817 57.937 56.100 0.032 0.000 0.976 514 R CB -0.129 30.189 30.300 0.030 0.000 0.866 514 R HN 0.421 nan 8.270 nan 0.000 0.449 515 T N -2.257 112.309 114.554 0.021 0.000 3.264 515 T HA 0.172 4.522 4.350 -0.000 0.000 0.257 515 T C 0.100 174.809 174.700 0.015 0.000 0.976 515 T CA -0.532 61.578 62.100 0.016 0.000 0.908 515 T CB 0.151 69.027 68.868 0.013 0.000 1.082 515 T HN -0.004 nan 8.240 nan 0.000 0.567 516 K N 2.920 123.330 120.400 0.017 0.000 2.378 516 K HA 0.155 4.475 4.320 -0.000 0.000 0.288 516 K C 0.380 176.988 176.600 0.012 0.000 1.057 516 K CA -0.519 55.777 56.287 0.015 0.000 0.971 516 K CB 0.448 32.958 32.500 0.017 0.000 0.975 516 K HN 0.547 nan 8.250 nan 0.000 0.475 517 R N 2.867 123.372 120.500 0.008 0.000 2.732 517 R HA 0.480 4.820 4.340 -0.000 0.000 0.278 517 R C -0.694 175.608 176.300 0.003 0.000 0.976 517 R CA -0.920 55.184 56.100 0.005 0.000 0.963 517 R CB 1.703 32.006 30.300 0.004 0.000 1.150 517 R HN 0.579 nan 8.270 nan 0.000 0.478 518 E N -0.036 120.164 120.200 0.001 0.000 2.415 518 E HA 0.481 4.831 4.350 -0.000 0.000 0.255 518 E C -1.272 175.326 176.600 -0.004 0.000 0.936 518 E CA -0.881 55.517 56.400 -0.002 0.000 0.876 518 E CB 2.597 32.296 29.700 -0.003 0.000 1.696 518 E HN 0.542 nan 8.360 nan 0.000 0.435 519 S N -0.814 114.883 115.700 -0.006 0.000 2.694 519 S HA 0.754 5.224 4.470 -0.000 0.000 0.273 519 S C -2.186 172.408 174.600 -0.010 0.000 1.180 519 S CA -0.471 57.724 58.200 -0.007 0.000 0.864 519 S CB 1.209 64.405 63.200 -0.007 0.000 1.198 519 S HN 0.381 nan 8.310 nan 0.000 0.499 520 L N 1.270 122.486 121.223 -0.010 0.000 3.119 520 L HA 0.441 4.781 4.340 -0.000 0.000 0.242 520 L C -2.695 174.169 176.870 -0.010 0.000 0.978 520 L CA -0.620 54.212 54.840 -0.012 0.000 1.065 520 L CB 0.566 42.617 42.059 -0.013 0.000 1.502 520 L HN 0.645 nan 8.230 nan 0.000 0.405 521 P HA 0.498 nan 4.420 nan 0.000 0.284 521 P C -2.700 174.593 177.300 -0.011 0.000 1.253 521 P CA -1.223 61.870 63.100 -0.011 0.000 0.800 521 P CB 0.143 31.836 31.700 -0.012 0.000 0.961 522 P HA 0.090 nan 4.420 nan 0.000 0.264 522 P C -0.273 177.013 177.300 -0.023 0.000 1.183 522 P CA 0.406 63.496 63.100 -0.016 0.000 0.763 522 P CB 0.315 32.005 31.700 -0.018 0.000 0.807 523 K N 1.016 121.400 120.400 -0.026 0.000 2.477 523 K HA 0.415 4.735 4.320 -0.000 0.000 0.255 523 K C 0.213 176.770 176.600 -0.072 0.000 0.952 523 K CA -1.071 55.183 56.287 -0.055 0.000 0.826 523 K CB 2.107 34.587 32.500 -0.034 0.000 1.331 523 K HN 0.030 nan 8.250 nan 0.000 0.437 524 K N 0.324 120.628 120.400 -0.159 0.000 2.148 524 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 524 K C -0.059 176.486 176.600 -0.092 0.000 1.050 524 K CA 1.613 57.801 56.287 -0.164 0.000 0.942 524 K CB -0.548 31.781 32.500 -0.285 0.000 0.724 524 K HN 0.855 nan 8.250 nan 0.000 0.446 525 H N -3.648 115.431 119.070 0.014 0.000 2.921 525 H HA 0.392 4.948 4.556 -0.000 0.000 0.287 525 H C -0.301 175.049 175.328 0.037 0.000 1.434 525 H CA -0.780 55.279 56.048 0.019 0.000 1.178 525 H CB 0.174 29.939 29.762 0.003 0.000 1.836 525 H HN 0.035 nan 8.280 nan 0.000 0.495 526 G N -0.837 108.126 108.800 0.272 0.000 2.563 526 G HA2 0.298 4.258 3.960 -0.000 0.000 0.283 526 G HA3 0.298 4.258 3.960 -0.000 0.000 0.283 526 G C -0.265 174.760 174.900 0.209 0.000 1.309 526 G CA -0.410 44.843 45.100 0.256 0.000 1.022 526 G HN 0.756 nan 8.290 nan 0.000 0.501 527 N N -0.561 118.201 118.700 0.104 0.000 2.497 527 N HA 0.109 4.849 4.740 -0.000 0.000 0.284 527 N C 0.790 176.173 175.510 -0.212 0.000 1.459 527 N CA -0.576 52.470 53.050 -0.007 0.000 0.899 527 N CB -0.346 38.178 38.487 0.062 0.000 1.316 527 N HN 0.589 nan 8.380 nan 0.000 0.500 528 I N -1.265 118.930 120.570 -0.624 0.000 3.325 528 I HA -0.061 4.109 4.170 -0.000 0.000 0.354 528 I C -1.891 174.021 176.117 -0.342 0.000 1.171 528 I CA -0.824 59.958 61.300 -0.863 0.000 1.515 528 I CB -0.316 37.205 38.000 -0.798 0.000 1.267 528 I HN 0.037 nan 8.210 nan 0.000 0.496 529 P HA 0.161 nan 4.420 nan 0.000 0.266 529 P C -0.291 176.939 177.300 -0.117 0.000 1.186 529 P CA 0.282 63.321 63.100 -0.103 0.000 0.767 529 P CB 0.635 32.309 31.700 -0.042 0.000 0.820 530 L N 0.000 121.173 121.223 -0.083 0.000 2.949 530 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 530 L CA 0.000 54.791 54.840 -0.081 0.000 0.813 530 L CB 0.000 42.003 42.059 -0.093 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502