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 1w5e_1_E DATA FIRST_RESID 23 DATA SEQUENCE SPEDKELLEY LQQTKAKITV VGCGGAGNNT ITRLKMEGIE GAKTVAINTD DATA SEQUENCE AQQLIRTKAD KKILIGKKLT RGLGAGGNPK IGEEAAKESA EEIKAAIQDS DATA SEQUENCE DMVFITCGLG GGTGTGSAPV VAEISKKIGA LTVAVVTLPF VMEGKVRMKN DATA SEQUENCE AMEGLERLKQ HTDTLVVIPN EKLFEIVPNM PLKLAFKVAD EVLINAVKGL DATA SEQUENCE VELITKDGLI NVDFADVKAV MNNGGLAMIG IGESDSEKRA KEAVSMALNS DATA SEQUENCE PLLDVDIDGA TGALIHVMGP EDLTLEEARE VVATVSSRLD PNATIIYGAT DATA SEQUENCE IDENLENTVR VLLVITGVQS RIEFTDTGLK RKK 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 23 S HA 0.000 nan 4.470 nan 0.000 0.327 23 S C 0.000 174.603 174.600 0.005 0.000 1.055 23 S CA 0.000 58.202 58.200 0.004 0.000 1.107 23 S CB 0.000 63.202 63.200 0.004 0.000 0.593 24 P HA 0.064 nan 4.420 nan 0.000 0.215 24 P C 1.250 178.554 177.300 0.006 0.000 1.157 24 P CA 0.766 63.869 63.100 0.005 0.000 0.856 24 P CB 0.113 31.814 31.700 0.003 0.000 0.786 25 E N -0.264 119.939 120.200 0.005 0.000 2.204 25 E HA -0.189 4.162 4.350 0.000 0.000 0.194 25 E C 1.003 177.609 176.600 0.009 0.000 0.989 25 E CA 1.138 57.541 56.400 0.005 0.000 0.824 25 E CB -0.227 29.474 29.700 0.002 0.000 0.756 25 E HN 0.112 nan 8.360 nan 0.000 0.477 26 D N 0.601 121.007 120.400 0.010 0.000 2.120 26 D HA -0.128 4.512 4.640 0.000 0.000 0.202 26 D C 1.829 178.141 176.300 0.020 0.000 0.972 26 D CA 1.530 55.539 54.000 0.015 0.000 0.837 26 D CB -0.014 40.792 40.800 0.011 0.000 0.989 26 D HN 0.278 nan 8.370 nan 0.000 0.469 27 K N 0.697 121.106 120.400 0.016 0.000 2.362 27 K HA -0.088 4.232 4.320 0.000 0.000 0.200 27 K C 1.715 178.331 176.600 0.026 0.000 1.046 27 K CA 0.918 57.215 56.287 0.017 0.000 0.952 27 K CB 0.116 32.623 32.500 0.011 0.000 0.753 27 K HN -0.029 nan 8.250 nan 0.000 0.466 28 E N 1.485 121.701 120.200 0.027 0.000 2.158 28 E HA -0.096 4.254 4.350 0.000 0.000 0.191 28 E C 1.807 178.443 176.600 0.060 0.000 0.982 28 E CA 0.448 56.869 56.400 0.035 0.000 0.823 28 E CB 0.017 29.729 29.700 0.020 0.000 0.766 28 E HN 0.342 nan 8.360 nan 0.000 0.468 29 L N 1.511 122.767 121.223 0.055 0.000 2.072 29 L HA -0.101 4.239 4.340 0.000 0.000 0.205 29 L C 2.374 179.314 176.870 0.118 0.000 1.079 29 L CA 1.063 55.953 54.840 0.084 0.000 0.752 29 L CB -1.087 41.004 42.059 0.053 0.000 0.906 29 L HN 0.230 nan 8.230 nan 0.000 0.436 30 L N 0.335 121.598 121.223 0.066 0.000 1.994 30 L HA -0.230 4.110 4.340 0.000 0.000 0.208 30 L C 2.367 179.256 176.870 0.031 0.000 1.071 30 L CA 1.851 56.714 54.840 0.039 0.000 0.745 30 L CB -0.939 41.130 42.059 0.018 0.000 0.892 30 L HN 0.369 nan 8.230 nan 0.000 0.431 31 E N -1.114 119.110 120.200 0.040 0.000 2.147 31 E HA -0.317 4.033 4.350 0.000 0.000 0.199 31 E C 2.039 178.663 176.600 0.039 0.000 1.005 31 E CA 1.895 58.313 56.400 0.029 0.000 0.810 31 E CB -0.391 29.333 29.700 0.039 0.000 0.736 31 E HN 0.628 nan 8.360 nan 0.000 0.460 32 Y N 1.272 121.565 120.300 -0.012 0.000 2.128 32 Y HA -0.263 4.287 4.550 0.000 0.000 0.284 32 Y C 2.101 177.991 175.900 -0.017 0.000 1.154 32 Y CA 1.371 59.463 58.100 -0.013 0.000 1.149 32 Y CB -0.542 37.912 38.460 -0.010 0.000 0.976 32 Y HN 0.031 nan 8.280 nan 0.000 0.505 33 L N 0.972 122.008 121.223 -0.312 0.000 1.989 33 L HA -0.280 4.060 4.340 0.000 0.000 0.211 33 L C 2.325 179.017 176.870 -0.296 0.000 1.071 33 L CA 2.298 56.916 54.840 -0.370 0.000 0.749 33 L CB -0.980 41.001 42.059 -0.131 0.000 0.890 33 L HN 0.403 nan 8.230 nan 0.000 0.431 34 Q N -1.352 118.342 119.800 -0.176 0.000 2.291 34 Q HA -0.251 4.089 4.340 0.000 0.000 0.205 34 Q C 2.034 177.938 176.000 -0.160 0.000 0.970 34 Q CA 1.244 56.963 55.803 -0.141 0.000 0.876 34 Q CB -0.161 28.525 28.738 -0.087 0.000 0.935 34 Q HN 0.650 nan 8.270 nan 0.000 0.455 35 Q N 0.663 120.354 119.800 -0.181 0.000 2.119 35 Q HA -0.142 4.198 4.340 0.000 0.000 0.201 35 Q C 1.923 177.812 176.000 -0.186 0.000 0.972 35 Q CA 2.034 57.752 55.803 -0.143 0.000 0.847 35 Q CB -0.665 28.030 28.738 -0.071 0.000 0.903 35 Q HN 0.161 nan 8.270 nan 0.000 0.433 36 T N -0.672 113.692 114.554 -0.317 0.000 2.680 36 T HA -0.193 4.157 4.350 0.000 0.000 0.268 36 T C 0.007 174.608 174.700 -0.165 0.000 1.033 36 T CA 1.875 63.813 62.100 -0.271 0.000 1.152 36 T CB -0.060 68.604 68.868 -0.339 0.000 0.859 36 T HN 0.585 nan 8.240 nan 0.000 0.452 37 K N -0.739 119.556 120.400 -0.176 0.000 2.367 37 K HA 0.806 5.126 4.320 0.000 0.000 0.272 37 K C -1.181 175.268 176.600 -0.253 0.000 1.046 37 K CA -0.620 55.560 56.287 -0.178 0.000 0.895 37 K CB 0.827 33.242 32.500 -0.143 0.000 1.512 37 K HN -0.022 nan 8.250 nan 0.000 0.433 38 A N 0.448 123.054 122.820 -0.357 0.000 2.303 38 A HA 0.568 4.888 4.320 0.000 0.000 0.317 38 A C -0.907 176.493 177.584 -0.306 0.000 1.149 38 A CA -0.761 50.961 52.037 -0.526 0.000 0.822 38 A CB 0.323 18.598 19.000 -1.208 0.000 1.131 38 A HN 0.518 nan 8.150 nan 0.000 0.493 39 K N 1.670 121.928 120.400 -0.237 0.000 2.263 39 K HA 0.406 4.726 4.320 0.000 0.000 0.282 39 K C -1.352 175.210 176.600 -0.063 0.000 1.089 39 K CA -0.045 56.171 56.287 -0.119 0.000 0.907 39 K CB 0.608 33.057 32.500 -0.085 0.000 1.148 39 K HN 0.505 nan 8.250 nan 0.000 0.470 40 I N 2.116 122.681 120.570 -0.008 0.000 2.377 40 I HA 0.192 4.362 4.170 0.000 0.000 0.293 40 I C -0.005 176.173 176.117 0.102 0.000 0.987 40 I CA -0.134 61.222 61.300 0.094 0.000 1.185 40 I CB 2.042 40.151 38.000 0.182 0.000 1.341 40 I HN 0.416 nan 8.210 nan 0.000 0.455 41 T N 5.118 119.752 114.554 0.134 0.000 2.879 41 T HA 0.531 4.881 4.350 0.000 0.000 0.290 41 T C -0.584 174.220 174.700 0.173 0.000 0.993 41 T CA -0.536 61.629 62.100 0.109 0.000 0.975 41 T CB 1.541 70.443 68.868 0.057 0.000 0.981 41 T HN 0.145 nan 8.240 nan 0.000 0.439 42 V N 3.943 123.941 119.914 0.140 0.000 2.370 42 V HA 0.466 4.586 4.120 0.000 0.000 0.279 42 V C -0.164 175.982 176.094 0.087 0.000 1.029 42 V CA -0.622 61.768 62.300 0.149 0.000 0.870 42 V CB 1.465 33.325 31.823 0.062 0.000 0.984 42 V HN 0.724 nan 8.190 nan 0.000 0.451 43 V N 4.091 124.061 119.914 0.093 0.000 2.409 43 V HA 0.740 4.860 4.120 0.000 0.000 0.291 43 V C 0.602 176.723 176.094 0.044 0.000 1.020 43 V CA -0.375 61.957 62.300 0.054 0.000 0.848 43 V CB 1.781 33.631 31.823 0.045 0.000 0.990 43 V HN 0.930 nan 8.190 nan 0.000 0.430 44 G N 3.060 111.874 108.800 0.024 0.000 2.422 44 G HA2 0.516 4.476 3.960 0.000 0.000 0.317 44 G HA3 0.516 4.476 3.960 0.000 0.000 0.317 44 G C -0.572 174.329 174.900 0.003 0.000 1.210 44 G CA -0.328 44.779 45.100 0.011 0.000 0.930 44 G HN 0.776 nan 8.290 nan 0.000 0.468 45 C N 1.712 121.012 119.300 0.000 0.000 2.319 45 C HA 0.968 5.428 4.460 0.000 0.000 0.335 45 C C 0.991 175.973 174.990 -0.014 0.000 1.274 45 C CA 0.339 59.355 59.018 -0.004 0.000 1.806 45 C CB 0.035 27.776 27.740 0.001 0.000 2.329 45 C HN 1.555 nan 8.230 nan 0.000 0.524 46 G N 2.517 111.308 108.800 -0.015 0.000 2.756 46 G HA2 0.233 4.193 3.960 0.000 0.000 0.678 46 G HA3 0.233 4.193 3.960 0.000 0.000 0.678 46 G C 0.654 175.536 174.900 -0.031 0.000 1.349 46 G CA -0.113 44.974 45.100 -0.023 0.000 0.847 46 G HN 1.304 nan 8.290 nan 0.000 0.548 47 G N -0.068 108.710 108.800 -0.037 0.000 2.476 47 G HA2 0.184 4.144 3.960 0.000 0.000 0.218 47 G HA3 0.184 4.144 3.960 0.000 0.000 0.218 47 G C 2.172 177.033 174.900 -0.066 0.000 1.164 47 G CA 3.281 48.354 45.100 -0.044 0.000 0.768 47 G HN 2.082 nan 8.290 nan 0.000 0.560 48 A N 0.955 123.718 122.820 -0.095 0.000 1.841 48 A HA 0.126 4.446 4.320 0.000 0.000 0.216 48 A C 2.807 180.345 177.584 -0.078 0.000 1.199 48 A CA 2.413 54.377 52.037 -0.121 0.000 0.621 48 A CB -1.412 17.496 19.000 -0.153 0.000 0.835 48 A HN 0.686 nan 8.150 nan 0.000 0.445 49 G N -0.193 108.572 108.800 -0.058 0.000 2.476 49 G HA2 -0.352 3.608 3.960 0.000 0.000 0.218 49 G HA3 -0.352 3.608 3.960 0.000 0.000 0.218 49 G C 1.380 176.263 174.900 -0.028 0.000 1.164 49 G CA 1.482 46.561 45.100 -0.036 0.000 0.768 49 G HN 0.565 nan 8.290 nan 0.000 0.560 50 N N 0.735 119.418 118.700 -0.027 0.000 2.149 50 N HA -0.125 4.615 4.740 0.000 0.000 0.188 50 N C 1.981 177.478 175.510 -0.023 0.000 1.019 50 N CA 1.390 54.428 53.050 -0.020 0.000 0.857 50 N CB -0.435 38.041 38.487 -0.018 0.000 0.997 50 N HN 0.423 nan 8.380 nan 0.000 0.426 51 N N -0.192 118.489 118.700 -0.032 0.000 2.084 51 N HA -0.101 4.639 4.740 0.000 0.000 0.190 51 N C 1.369 176.863 175.510 -0.028 0.000 1.030 51 N CA 1.766 54.798 53.050 -0.031 0.000 0.849 51 N CB -0.509 37.950 38.487 -0.047 0.000 1.012 51 N HN 0.111 nan 8.380 nan 0.000 0.423 52 T N 1.328 115.861 114.554 -0.034 0.000 2.674 52 T HA -0.079 4.271 4.350 0.000 0.000 0.265 52 T C 1.811 176.496 174.700 -0.025 0.000 1.039 52 T CA 1.183 63.265 62.100 -0.031 0.000 1.150 52 T CB -0.258 68.589 68.868 -0.035 0.000 0.864 52 T HN 0.156 nan 8.240 nan 0.000 0.427 53 I N 1.785 122.343 120.570 -0.021 0.000 2.145 53 I HA -0.224 3.946 4.170 0.000 0.000 0.244 53 I C 2.640 178.748 176.117 -0.015 0.000 1.075 53 I CA 1.711 63.002 61.300 -0.015 0.000 1.332 53 I CB -1.907 36.088 38.000 -0.009 0.000 1.033 53 I HN 0.290 nan 8.210 nan 0.000 0.410 54 T N 0.598 115.144 114.554 -0.014 0.000 2.665 54 T HA -0.208 4.142 4.350 0.000 0.000 0.268 54 T C 2.118 176.811 174.700 -0.012 0.000 1.035 54 T CA 1.272 63.366 62.100 -0.011 0.000 1.151 54 T CB -0.171 68.692 68.868 -0.009 0.000 0.862 54 T HN 0.267 nan 8.240 nan 0.000 0.438 55 R N 0.380 120.872 120.500 -0.014 0.000 2.088 55 R HA -0.019 4.321 4.340 0.000 0.000 0.232 55 R C 2.559 178.848 176.300 -0.018 0.000 1.136 55 R CA 1.297 57.388 56.100 -0.015 0.000 0.926 55 R CB -0.862 29.427 30.300 -0.017 0.000 0.837 55 R HN 0.387 nan 8.270 nan 0.000 0.429 56 L N 0.854 122.062 121.223 -0.024 0.000 2.034 56 L HA -0.295 4.045 4.340 0.000 0.000 0.217 56 L C 2.623 179.480 176.870 -0.021 0.000 1.077 56 L CA 1.731 56.554 54.840 -0.028 0.000 0.769 56 L CB -0.550 41.487 42.059 -0.036 0.000 0.890 56 L HN 0.153 nan 8.230 nan 0.000 0.435 57 K N 0.272 120.662 120.400 -0.016 0.000 2.002 57 K HA -0.165 4.155 4.320 0.000 0.000 0.209 57 K C 2.067 178.661 176.600 -0.011 0.000 1.048 57 K CA 1.748 58.028 56.287 -0.012 0.000 0.930 57 K CB -0.215 32.279 32.500 -0.009 0.000 0.714 57 K HN 0.122 nan 8.250 nan 0.000 0.438 58 M N 0.138 119.732 119.600 -0.010 0.000 2.067 58 M HA -0.144 4.336 4.480 0.000 0.000 0.260 58 M C 1.961 178.256 176.300 -0.009 0.000 1.069 58 M CA 1.851 57.147 55.300 -0.008 0.000 1.117 58 M CB -0.365 32.231 32.600 -0.007 0.000 1.334 58 M HN 0.195 nan 8.290 nan 0.000 0.407 59 E N 0.214 120.407 120.200 -0.011 0.000 2.472 59 E HA 0.080 4.430 4.350 0.000 0.000 0.200 59 E C 0.445 177.038 176.600 -0.012 0.000 1.046 59 E CA 0.158 56.551 56.400 -0.012 0.000 0.871 59 E CB -0.114 29.577 29.700 -0.015 0.000 0.806 59 E HN 0.604 nan 8.360 nan 0.000 0.533 60 G N 1.575 110.367 108.800 -0.013 0.000 2.850 60 G HA2 -0.221 3.739 3.960 0.000 0.000 0.686 60 G HA3 -0.221 3.739 3.960 0.000 0.000 0.686 60 G C -0.869 174.021 174.900 -0.016 0.000 1.164 60 G CA -0.335 44.757 45.100 -0.012 0.000 0.826 60 G HN 0.141 nan 8.290 nan 0.000 0.586 61 I N 1.078 121.637 120.570 -0.018 0.000 2.468 61 I HA 0.577 4.747 4.170 0.000 0.000 0.285 61 I C 0.149 176.255 176.117 -0.018 0.000 1.039 61 I CA -1.255 60.030 61.300 -0.024 0.000 1.074 61 I CB 1.634 39.613 38.000 -0.035 0.000 1.228 61 I HN 0.689 nan 8.210 nan 0.000 0.436 62 E N 5.596 125.788 120.200 -0.014 0.000 2.417 62 E HA 0.380 4.730 4.350 0.000 0.000 0.261 62 E C 1.078 177.672 176.600 -0.012 0.000 1.000 62 E CA 0.961 57.355 56.400 -0.010 0.000 0.919 62 E CB 0.342 30.041 29.700 -0.003 0.000 0.955 62 E HN 1.005 nan 8.360 nan 0.000 0.455 63 G N 2.786 111.577 108.800 -0.014 0.000 2.258 63 G HA2 -0.241 3.719 3.960 0.000 0.000 0.274 63 G HA3 -0.241 3.719 3.960 0.000 0.000 0.274 63 G C -0.075 174.820 174.900 -0.008 0.000 1.021 63 G CA 0.434 45.524 45.100 -0.017 0.000 0.798 63 G HN 0.694 nan 8.290 nan 0.000 0.507 64 A N -0.783 122.035 122.820 -0.004 0.000 2.449 64 A HA 0.806 5.126 4.320 0.000 0.000 0.302 64 A C -0.101 177.488 177.584 0.008 0.000 1.048 64 A CA -0.156 51.888 52.037 0.012 0.000 0.708 64 A CB 1.408 20.414 19.000 0.009 0.000 1.274 64 A HN 0.583 nan 8.150 nan 0.000 0.410 65 K N 1.260 121.671 120.400 0.018 0.000 2.156 65 K HA 0.551 4.871 4.320 0.000 0.000 0.271 65 K C -0.444 176.168 176.600 0.020 0.000 0.995 65 K CA -0.063 56.232 56.287 0.012 0.000 0.890 65 K CB 0.839 33.346 32.500 0.011 0.000 1.073 65 K HN 0.783 nan 8.250 nan 0.000 0.454 66 T N 0.077 114.637 114.554 0.011 0.000 2.771 66 T HA 0.453 4.803 4.350 0.000 0.000 0.281 66 T C -0.513 174.193 174.700 0.011 0.000 0.982 66 T CA -0.821 61.286 62.100 0.011 0.000 0.978 66 T CB 1.280 70.148 68.868 0.001 0.000 0.930 66 T HN 0.194 nan 8.240 nan 0.000 0.447 67 V N 2.516 122.440 119.914 0.016 0.000 2.483 67 V HA 0.757 4.877 4.120 0.000 0.000 0.297 67 V C 0.017 176.117 176.094 0.011 0.000 1.027 67 V CA -0.980 61.327 62.300 0.012 0.000 0.855 67 V CB 1.428 33.260 31.823 0.015 0.000 0.995 67 V HN 1.256 nan 8.190 nan 0.000 0.424 68 A N 6.943 129.766 122.820 0.005 0.000 2.287 68 A HA 0.891 5.211 4.320 0.000 0.000 0.317 68 A C -0.511 177.073 177.584 0.001 0.000 1.220 68 A CA -0.513 51.526 52.037 0.002 0.000 0.835 68 A CB 0.671 19.670 19.000 -0.001 0.000 1.180 68 A HN 1.026 nan 8.150 nan 0.000 0.500 69 I N 0.817 121.388 120.570 0.001 0.000 2.418 69 I HA 0.631 4.801 4.170 0.000 0.000 0.287 69 I C -0.757 175.359 176.117 -0.002 0.000 1.008 69 I CA -0.538 60.762 61.300 0.001 0.000 1.104 69 I CB 1.688 39.689 38.000 0.002 0.000 1.264 69 I HN 0.690 nan 8.210 nan 0.000 0.438 70 N N 3.028 121.726 118.700 -0.002 0.000 2.629 70 N HA 0.404 5.144 4.740 0.000 0.000 0.279 70 N C -0.118 175.391 175.510 -0.002 0.000 1.344 70 N CA -0.631 52.417 53.050 -0.004 0.000 0.789 70 N CB 2.724 41.208 38.487 -0.005 0.000 1.508 70 N HN 0.656 nan 8.380 nan 0.000 0.516 71 T N -1.065 113.488 114.554 -0.002 0.000 3.044 71 T HA 0.117 4.467 4.350 0.000 0.000 0.260 71 T C -1.083 173.617 174.700 0.001 0.000 1.019 71 T CA 0.061 62.161 62.100 0.000 0.000 0.921 71 T CB -0.120 68.748 68.868 0.001 0.000 1.053 71 T HN 0.409 nan 8.240 nan 0.000 0.533 72 D N 1.096 121.496 120.400 0.000 0.000 2.460 72 D HA 0.503 5.143 4.640 0.000 0.000 0.232 72 D C 1.232 177.533 176.300 0.001 0.000 1.079 72 D CA -0.134 53.867 54.000 0.001 0.000 0.864 72 D CB 1.563 42.364 40.800 0.001 0.000 1.048 72 D HN 0.192 nan 8.370 nan 0.000 0.523 73 A N 4.120 126.941 122.820 0.002 0.000 1.884 73 A HA -0.271 4.049 4.320 0.000 0.000 0.219 73 A C 1.953 179.538 177.584 0.002 0.000 1.197 73 A CA 1.825 53.863 52.037 0.001 0.000 0.637 73 A CB -0.585 18.416 19.000 0.002 0.000 0.827 73 A HN 0.726 nan 8.150 nan 0.000 0.450 74 Q N -1.031 118.771 119.800 0.003 0.000 2.077 74 Q HA -0.305 4.035 4.340 0.000 0.000 0.206 74 Q C 2.348 178.350 176.000 0.003 0.000 0.989 74 Q CA 2.180 57.984 55.803 0.003 0.000 0.853 74 Q CB -0.181 28.560 28.738 0.005 0.000 0.907 74 Q HN 0.822 nan 8.270 nan 0.000 0.418 75 Q N -0.279 119.522 119.800 0.002 0.000 2.020 75 Q HA -0.181 4.159 4.340 0.000 0.000 0.202 75 Q C 2.144 178.143 176.000 -0.002 0.000 0.982 75 Q CA 1.358 57.160 55.803 -0.000 0.000 0.838 75 Q CB -0.120 28.616 28.738 -0.003 0.000 0.899 75 Q HN 0.330 nan 8.270 nan 0.000 0.423 76 L N 0.668 121.890 121.223 -0.002 0.000 2.187 76 L HA -0.203 4.137 4.340 0.000 0.000 0.213 76 L C 1.856 178.726 176.870 -0.001 0.000 1.100 76 L CA 1.288 56.126 54.840 -0.002 0.000 0.765 76 L CB -0.332 41.726 42.059 -0.002 0.000 0.904 76 L HN 0.291 nan 8.230 nan 0.000 0.437 77 I N 0.304 120.874 120.570 -0.000 0.000 2.163 77 I HA -0.239 3.931 4.170 0.000 0.000 0.240 77 I C 2.226 178.344 176.117 0.000 0.000 1.081 77 I CA 1.449 62.749 61.300 0.000 0.000 1.353 77 I CB -1.010 36.991 38.000 0.001 0.000 1.054 77 I HN 0.453 nan 8.210 nan 0.000 0.407 78 R N 0.413 120.914 120.500 0.001 0.000 2.346 78 R HA 0.103 4.443 4.340 0.000 0.000 0.225 78 R C 0.089 176.389 176.300 -0.001 0.000 0.987 78 R CA 0.200 56.300 56.100 0.001 0.000 1.106 78 R CB -0.700 29.602 30.300 0.002 0.000 1.090 78 R HN 0.091 nan 8.270 nan 0.000 0.502 79 T N 1.223 115.776 114.554 -0.002 0.000 2.902 79 T HA 0.297 4.647 4.350 0.000 0.000 0.283 79 T C -0.524 174.174 174.700 -0.003 0.000 1.009 79 T CA -0.539 61.559 62.100 -0.004 0.000 1.051 79 T CB 1.808 70.673 68.868 -0.005 0.000 0.999 79 T HN 0.124 nan 8.240 nan 0.000 0.474 80 K N 1.579 121.977 120.400 -0.004 0.000 2.274 80 K HA 0.782 5.102 4.320 0.000 0.000 0.262 80 K C -0.718 175.879 176.600 -0.005 0.000 0.961 80 K CA -0.665 55.619 56.287 -0.004 0.000 0.833 80 K CB 1.906 34.404 32.500 -0.004 0.000 1.102 80 K HN 0.716 nan 8.250 nan 0.000 0.436 81 A N 1.841 124.659 122.820 -0.004 0.000 2.540 81 A HA 0.257 4.577 4.320 0.000 0.000 0.291 81 A C -0.548 177.035 177.584 -0.002 0.000 1.083 81 A CA -0.680 51.355 52.037 -0.003 0.000 0.650 81 A CB 0.822 19.821 19.000 -0.002 0.000 1.292 81 A HN 0.642 nan 8.150 nan 0.000 0.435 82 D N -0.236 120.163 120.400 -0.002 0.000 2.137 82 D HA 0.064 4.704 4.640 0.000 0.000 0.202 82 D C 0.255 176.554 176.300 -0.001 0.000 0.970 82 D CA 1.609 55.608 54.000 -0.002 0.000 0.837 82 D CB 0.247 41.047 40.800 -0.001 0.000 0.981 82 D HN 0.340 nan 8.370 nan 0.000 0.475 83 K N 0.587 120.987 120.400 0.000 0.000 2.507 83 K HA 0.292 4.612 4.320 0.000 0.000 0.251 83 K C -1.287 175.313 176.600 0.001 0.000 0.943 83 K CA -0.499 55.788 56.287 0.000 0.000 0.794 83 K CB 1.889 34.389 32.500 0.001 0.000 1.188 83 K HN -0.307 nan 8.250 nan 0.000 0.428 84 K N 3.932 124.332 120.400 -0.000 0.000 2.203 84 K HA 0.607 4.927 4.320 0.000 0.000 0.251 84 K C -0.581 176.019 176.600 -0.000 0.000 0.944 84 K CA -0.878 55.408 56.287 -0.000 0.000 0.829 84 K CB 1.600 34.100 32.500 -0.001 0.000 1.125 84 K HN 0.514 nan 8.250 nan 0.000 0.430 85 I N 2.905 123.475 120.570 -0.000 0.000 2.571 85 I HA 0.162 4.332 4.170 0.000 0.000 0.289 85 I C -1.368 174.749 176.117 -0.000 0.000 1.115 85 I CA -0.951 60.349 61.300 -0.000 0.000 1.045 85 I CB 1.919 39.919 38.000 -0.000 0.000 1.238 85 I HN 0.314 nan 8.210 nan 0.000 0.424 86 L N 8.305 129.528 121.223 -0.001 0.000 2.259 86 L HA 0.562 4.902 4.340 0.000 0.000 0.288 86 L C -0.149 176.721 176.870 -0.000 0.000 1.051 86 L CA -0.137 54.703 54.840 -0.000 0.000 0.824 86 L CB 0.533 42.592 42.059 -0.000 0.000 1.206 86 L HN 0.465 nan 8.230 nan 0.000 0.429 87 I N 1.587 122.157 120.570 -0.000 0.000 2.783 87 I HA 0.770 4.940 4.170 0.000 0.000 0.312 87 I C 1.073 177.191 176.117 0.001 0.000 0.988 87 I CA -0.476 60.824 61.300 -0.000 0.000 1.182 87 I CB 1.345 39.344 38.000 -0.000 0.000 1.368 87 I HN 0.759 nan 8.210 nan 0.000 0.511 88 G N 3.085 111.885 108.800 0.001 0.000 2.295 88 G HA2 -0.230 3.730 3.960 0.000 0.000 0.287 88 G HA3 -0.230 3.730 3.960 0.000 0.000 0.287 88 G C 0.728 175.629 174.900 0.002 0.000 1.055 88 G CA 0.327 45.428 45.100 0.001 0.000 0.922 88 G HN 0.763 nan 8.290 nan 0.000 0.503 89 K N -0.117 120.284 120.400 0.001 0.000 2.020 89 K HA -0.130 4.190 4.320 0.000 0.000 0.212 89 K C 2.525 179.126 176.600 0.002 0.000 1.050 89 K CA 1.907 58.195 56.287 0.001 0.000 0.929 89 K CB -0.302 32.199 32.500 0.001 0.000 0.714 89 K HN 0.455 nan 8.250 nan 0.000 0.443 90 K N 0.936 121.337 120.400 0.002 0.000 1.974 90 K HA -0.141 4.179 4.320 0.000 0.000 0.226 90 K C 2.222 178.824 176.600 0.003 0.000 1.039 90 K CA 1.101 57.389 56.287 0.002 0.000 1.022 90 K CB -1.059 31.442 32.500 0.002 0.000 0.746 90 K HN -0.081 nan 8.250 nan 0.000 0.445 91 L N 0.257 121.481 121.223 0.003 0.000 2.054 91 L HA -0.267 4.073 4.340 0.000 0.000 0.240 91 L C 1.019 177.891 176.870 0.004 0.000 1.107 91 L CA 1.948 56.790 54.840 0.004 0.000 0.833 91 L CB -1.820 40.241 42.059 0.004 0.000 0.929 91 L HN 0.245 nan 8.230 nan 0.000 0.447 92 T N 1.216 115.772 114.554 0.004 0.000 2.780 92 T HA 0.184 4.534 4.350 0.000 0.000 0.294 92 T C 0.771 175.473 174.700 0.004 0.000 0.949 92 T CA -0.602 61.501 62.100 0.004 0.000 1.074 92 T CB 0.751 69.621 68.868 0.004 0.000 0.910 92 T HN 0.111 nan 8.240 nan 0.000 0.501 93 R N 2.357 122.860 120.500 0.004 0.000 3.907 93 R HA 0.230 4.570 4.340 0.000 0.000 0.241 93 R C 1.454 177.756 176.300 0.003 0.000 1.784 93 R CA -0.190 55.912 56.100 0.003 0.000 1.509 93 R CB -1.064 29.239 30.300 0.004 0.000 1.275 93 R HN 1.081 nan 8.270 nan 0.000 0.642 94 G N 0.452 109.254 108.800 0.003 0.000 2.160 94 G HA2 -0.261 3.699 3.960 0.000 0.000 0.251 94 G HA3 -0.261 3.699 3.960 0.000 0.000 0.251 94 G C 0.479 175.382 174.900 0.004 0.000 1.008 94 G CA 0.073 45.175 45.100 0.003 0.000 0.724 94 G HN 0.471 nan 8.290 nan 0.000 0.514 95 L N -0.178 121.048 121.223 0.004 0.000 2.766 95 L HA 0.502 4.842 4.340 0.000 0.000 0.242 95 L C 1.367 178.241 176.870 0.006 0.000 1.136 95 L CA 0.296 55.139 54.840 0.006 0.000 0.933 95 L CB 0.130 42.193 42.059 0.006 0.000 1.241 95 L HN 1.120 nan 8.230 nan 0.000 0.522 96 G N 0.127 108.930 108.800 0.005 0.000 2.712 96 G HA2 -0.068 3.892 3.960 0.000 0.000 0.686 96 G HA3 -0.068 3.892 3.960 0.000 0.000 0.686 96 G C 0.196 175.100 174.900 0.006 0.000 1.181 96 G CA -0.384 44.719 45.100 0.005 0.000 0.762 96 G HN 0.125 nan 8.290 nan 0.000 0.641 97 A N 0.787 123.610 122.820 0.006 0.000 2.291 97 A HA 0.599 4.919 4.320 0.000 0.000 0.220 97 A C 2.316 179.906 177.584 0.009 0.000 1.262 97 A CA 1.396 53.437 52.037 0.007 0.000 0.867 97 A CB -0.827 18.176 19.000 0.006 0.000 0.888 97 A HN 2.905 nan 8.150 nan 0.000 0.487 98 G N -0.778 108.028 108.800 0.011 0.000 2.441 98 G HA2 0.076 4.036 3.960 0.000 0.000 0.298 98 G HA3 0.076 4.036 3.960 0.000 0.000 0.298 98 G C 1.419 176.328 174.900 0.016 0.000 0.949 98 G CA 0.828 45.936 45.100 0.014 0.000 1.072 98 G HN 2.058 nan 8.290 nan 0.000 0.512 99 G N -0.889 107.920 108.800 0.015 0.000 2.166 99 G HA2 -0.367 3.593 3.960 0.000 0.000 0.260 99 G HA3 -0.367 3.593 3.960 0.000 0.000 0.260 99 G C 0.383 175.291 174.900 0.013 0.000 0.986 99 G CA 0.720 45.830 45.100 0.016 0.000 0.683 99 G HN 1.400 nan 8.290 nan 0.000 0.527 100 N N 0.719 119.426 118.700 0.012 0.000 2.500 100 N HA 0.387 5.127 4.740 0.000 0.000 0.236 100 N C -0.753 174.763 175.510 0.010 0.000 1.022 100 N CA -1.999 51.058 53.050 0.011 0.000 0.935 100 N CB 1.484 39.978 38.487 0.011 0.000 1.147 100 N HN 0.004 nan 8.380 nan 0.000 0.512 101 P HA -0.198 nan 4.420 nan 0.000 0.215 101 P C 0.936 178.243 177.300 0.011 0.000 1.163 101 P CA 1.933 65.039 63.100 0.010 0.000 0.894 101 P CB 0.360 32.066 31.700 0.010 0.000 0.791 102 K N -0.800 119.607 120.400 0.012 0.000 2.059 102 K HA -0.182 4.138 4.320 0.000 0.000 0.212 102 K C 1.981 178.587 176.600 0.011 0.000 1.050 102 K CA 1.519 57.813 56.287 0.012 0.000 0.927 102 K CB -0.874 31.633 32.500 0.012 0.000 0.714 102 K HN 0.095 nan 8.250 nan 0.000 0.447 103 I N 0.963 121.538 120.570 0.009 0.000 2.208 103 I HA -0.191 3.979 4.170 0.000 0.000 0.245 103 I C 2.522 178.644 176.117 0.007 0.000 1.097 103 I CA 1.725 63.030 61.300 0.008 0.000 1.363 103 I CB -1.885 36.120 38.000 0.007 0.000 1.051 103 I HN 0.322 nan 8.210 nan 0.000 0.413 104 G N 0.430 109.235 108.800 0.008 0.000 2.433 104 G HA2 -0.287 3.673 3.960 0.000 0.000 0.216 104 G HA3 -0.287 3.673 3.960 0.000 0.000 0.216 104 G C 1.591 176.497 174.900 0.009 0.000 1.186 104 G CA 0.877 45.981 45.100 0.007 0.000 0.779 104 G HN 0.495 nan 8.290 nan 0.000 0.543 105 E N 0.343 120.550 120.200 0.012 0.000 2.033 105 E HA -0.238 4.112 4.350 0.000 0.000 0.199 105 E C 2.243 178.849 176.600 0.010 0.000 1.011 105 E CA 1.654 58.063 56.400 0.015 0.000 0.815 105 E CB -0.301 29.410 29.700 0.020 0.000 0.755 105 E HN 0.610 nan 8.360 nan 0.000 0.451 106 E N -0.075 120.130 120.200 0.009 0.000 2.023 106 E HA -0.261 4.089 4.350 0.000 0.000 0.196 106 E C 2.038 178.640 176.600 0.004 0.000 1.003 106 E CA 1.304 57.708 56.400 0.006 0.000 0.809 106 E CB -0.316 29.388 29.700 0.006 0.000 0.755 106 E HN 0.374 nan 8.360 nan 0.000 0.449 107 A N 1.135 123.957 122.820 0.004 0.000 1.958 107 A HA -0.273 4.047 4.320 0.000 0.000 0.221 107 A C 2.347 179.931 177.584 0.001 0.000 1.178 107 A CA 2.377 54.415 52.037 0.003 0.000 0.642 107 A CB -0.968 18.034 19.000 0.003 0.000 0.816 107 A HN 0.477 nan 8.150 nan 0.000 0.453 108 A N -0.157 122.664 122.820 0.002 0.000 1.835 108 A HA -0.161 4.159 4.320 0.000 0.000 0.215 108 A C 2.074 179.656 177.584 -0.004 0.000 1.199 108 A CA 1.779 53.816 52.037 -0.000 0.000 0.615 108 A CB -0.584 18.416 19.000 0.001 0.000 0.838 108 A HN 0.541 nan 8.150 nan 0.000 0.444 109 K N -0.309 120.089 120.400 -0.004 0.000 2.113 109 K HA -0.248 4.072 4.320 0.000 0.000 0.208 109 K C 2.090 178.686 176.600 -0.006 0.000 1.047 109 K CA 1.627 57.910 56.287 -0.008 0.000 0.928 109 K CB -0.255 32.242 32.500 -0.006 0.000 0.716 109 K HN 0.736 nan 8.250 nan 0.000 0.446 110 E N 1.014 121.212 120.200 -0.003 0.000 2.033 110 E HA -0.182 4.168 4.350 0.000 0.000 0.199 110 E C 0.862 177.460 176.600 -0.004 0.000 1.011 110 E CA 1.681 58.079 56.400 -0.003 0.000 0.815 110 E CB 0.051 29.750 29.700 -0.001 0.000 0.755 110 E HN 0.121 nan 8.360 nan 0.000 0.451 111 S N 0.195 115.893 115.700 -0.004 0.000 2.679 111 S HA 0.260 4.730 4.470 0.000 0.000 0.233 111 S C 1.076 175.672 174.600 -0.007 0.000 0.951 111 S CA 0.226 58.423 58.200 -0.005 0.000 0.973 111 S CB 0.723 63.921 63.200 -0.003 0.000 0.778 111 S HN 0.430 nan 8.310 nan 0.000 0.477 112 A N 1.098 123.912 122.820 -0.009 0.000 2.186 112 A HA -0.149 4.171 4.320 0.000 0.000 0.219 112 A C 2.068 179.644 177.584 -0.014 0.000 1.159 112 A CA 1.474 53.503 52.037 -0.014 0.000 0.680 112 A CB -0.239 18.751 19.000 -0.018 0.000 0.787 112 A HN 0.419 nan 8.150 nan 0.000 0.467 113 E N -0.000 120.193 120.200 -0.011 0.000 2.045 113 E HA -0.014 4.336 4.350 0.000 0.000 0.190 113 E C 1.794 178.389 176.600 -0.008 0.000 0.968 113 E CA 1.132 57.526 56.400 -0.010 0.000 0.813 113 E CB -0.300 29.395 29.700 -0.008 0.000 0.780 113 E HN 0.475 nan 8.360 nan 0.000 0.455 114 E N 0.475 120.671 120.200 -0.006 0.000 2.147 114 E HA -0.193 4.157 4.350 0.000 0.000 0.199 114 E C 2.050 178.647 176.600 -0.005 0.000 1.005 114 E CA 1.346 57.743 56.400 -0.005 0.000 0.810 114 E CB -0.274 29.424 29.700 -0.004 0.000 0.736 114 E HN 0.370 nan 8.360 nan 0.000 0.460 115 I N 0.416 120.983 120.570 -0.006 0.000 2.202 115 I HA -0.263 3.907 4.170 0.000 0.000 0.242 115 I C 2.418 178.531 176.117 -0.007 0.000 1.091 115 I CA 1.089 62.386 61.300 -0.005 0.000 1.368 115 I CB -0.236 37.760 38.000 -0.007 0.000 1.058 115 I HN 0.057 nan 8.210 nan 0.000 0.410 116 K N 1.341 121.734 120.400 -0.011 0.000 2.211 116 K HA -0.208 4.112 4.320 0.000 0.000 0.204 116 K C 2.006 178.600 176.600 -0.010 0.000 1.047 116 K CA 1.538 57.818 56.287 -0.012 0.000 0.935 116 K CB -0.029 32.462 32.500 -0.015 0.000 0.728 116 K HN 0.337 nan 8.250 nan 0.000 0.452 117 A N 0.545 123.361 122.820 -0.008 0.000 1.970 117 A HA 0.098 4.418 4.320 0.000 0.000 0.216 117 A C 2.176 179.757 177.584 -0.006 0.000 1.170 117 A CA 1.143 53.176 52.037 -0.007 0.000 0.645 117 A CB -0.384 18.613 19.000 -0.006 0.000 0.816 117 A HN 0.411 nan 8.150 nan 0.000 0.447 118 A N 0.136 122.954 122.820 -0.004 0.000 2.121 118 A HA 0.140 4.460 4.320 0.000 0.000 0.218 118 A C 1.550 179.134 177.584 0.000 0.000 1.154 118 A CA 1.316 53.352 52.037 -0.001 0.000 0.679 118 A CB -0.629 18.372 19.000 0.001 0.000 0.795 118 A HN 1.088 nan 8.150 nan 0.000 0.458 119 I N -4.937 115.632 120.570 -0.001 0.000 3.597 119 I HA 0.320 4.490 4.170 0.000 0.000 0.323 119 I C 1.165 177.278 176.117 -0.006 0.000 1.535 119 I CA -0.091 61.209 61.300 -0.000 0.000 1.028 119 I CB 0.218 38.219 38.000 0.003 0.000 1.354 119 I HN 0.026 nan 8.210 nan 0.000 0.544 120 Q N 2.441 122.237 119.800 -0.008 0.000 2.152 120 Q HA -0.145 4.195 4.340 0.000 0.000 0.206 120 Q C 0.313 176.307 176.000 -0.011 0.000 0.985 120 Q CA 2.001 57.798 55.803 -0.010 0.000 0.863 120 Q CB -0.021 28.711 28.738 -0.010 0.000 0.904 120 Q HN 0.604 nan 8.270 nan 0.000 0.422 121 D N 0.295 120.687 120.400 -0.013 0.000 2.943 121 D HA 0.219 4.859 4.640 0.000 0.000 0.347 121 D C -1.009 175.278 176.300 -0.022 0.000 1.305 121 D CA -0.008 53.981 54.000 -0.018 0.000 0.870 121 D CB 0.649 41.436 40.800 -0.022 0.000 1.081 121 D HN -0.038 nan 8.370 nan 0.000 0.492 122 S N 0.337 116.028 115.700 -0.015 0.000 2.472 122 S HA 0.198 4.668 4.470 0.000 0.000 0.303 122 S C 0.861 175.457 174.600 -0.007 0.000 1.099 122 S CA -0.734 57.457 58.200 -0.014 0.000 1.077 122 S CB 2.432 65.631 63.200 -0.002 0.000 1.031 122 S HN 0.114 nan 8.310 nan 0.000 0.487 123 D N 1.406 121.797 120.400 -0.015 0.000 2.249 123 D HA 0.078 4.718 4.640 0.000 0.000 0.205 123 D C 0.341 176.715 176.300 0.123 0.000 0.962 123 D CA 0.878 54.901 54.000 0.039 0.000 0.860 123 D CB 0.310 41.076 40.800 -0.056 0.000 0.955 123 D HN 0.400 nan 8.370 nan 0.000 0.505 124 M N 0.786 120.431 119.600 0.075 0.000 2.371 124 M HA 0.320 4.800 4.480 0.000 0.000 0.287 124 M C -2.268 174.006 176.300 -0.044 0.000 1.149 124 M CA -0.480 54.840 55.300 0.032 0.000 0.929 124 M CB 2.802 35.492 32.600 0.149 0.000 1.683 124 M HN -0.410 nan 8.290 nan 0.000 0.470 125 V N 4.806 124.631 119.914 -0.149 0.000 2.531 125 V HA 0.538 4.658 4.120 0.000 0.000 0.301 125 V C -1.270 174.692 176.094 -0.219 0.000 1.034 125 V CA -0.454 61.791 62.300 -0.092 0.000 0.865 125 V CB 1.966 33.768 31.823 -0.035 0.000 0.995 125 V HN 0.743 nan 8.190 nan 0.000 0.424 126 F N 4.909 124.875 119.950 0.026 0.000 2.415 126 F HA 0.608 5.135 4.527 0.000 0.000 0.348 126 F C 0.261 176.069 175.800 0.014 0.000 1.119 126 F CA -0.420 57.593 58.000 0.022 0.000 1.069 126 F CB 1.364 40.377 39.000 0.022 0.000 1.124 126 F HN 0.254 nan 8.300 nan 0.000 0.472 127 I N 3.043 123.706 120.570 0.153 0.000 2.354 127 I HA 0.301 4.471 4.170 0.000 0.000 0.286 127 I C -0.113 176.060 176.117 0.095 0.000 1.007 127 I CA -0.275 61.083 61.300 0.097 0.000 1.167 127 I CB 1.667 39.699 38.000 0.053 0.000 1.320 127 I HN 0.472 nan 8.210 nan 0.000 0.458 128 T N 5.773 120.371 114.554 0.074 0.000 2.863 128 T HA 0.779 5.129 4.350 0.000 0.000 0.285 128 T C -0.692 174.015 174.700 0.011 0.000 1.009 128 T CA -0.328 61.798 62.100 0.044 0.000 0.989 128 T CB 1.083 69.973 68.868 0.037 0.000 1.004 128 T HN 0.908 nan 8.240 nan 0.000 0.455 129 C N 1.337 120.631 119.300 -0.009 0.000 3.211 129 C HA 0.877 5.337 4.460 0.000 0.000 0.350 129 C C 0.071 175.031 174.990 -0.050 0.000 1.413 129 C CA -0.617 58.384 59.018 -0.028 0.000 1.203 129 C CB 0.595 28.324 27.740 -0.018 0.000 1.506 129 C HN 1.120 nan 8.230 nan 0.000 0.448 130 G N 1.581 110.340 108.800 -0.069 0.000 2.547 130 G HA2 0.568 4.528 3.960 0.000 0.000 0.327 130 G HA3 0.568 4.528 3.960 0.000 0.000 0.327 130 G C -0.398 174.459 174.900 -0.072 0.000 1.118 130 G CA -0.472 44.573 45.100 -0.091 0.000 1.022 130 G HN 0.901 nan 8.290 nan 0.000 0.464 131 L N 1.453 122.637 121.223 -0.066 0.000 2.499 131 L HA 0.333 4.673 4.340 0.000 0.000 0.281 131 L C 1.577 178.420 176.870 -0.046 0.000 1.234 131 L CA 1.318 56.126 54.840 -0.053 0.000 0.839 131 L CB 0.707 42.728 42.059 -0.064 0.000 1.104 131 L HN 0.808 nan 8.230 nan 0.000 0.500 132 G N 1.032 109.814 108.800 -0.029 0.000 2.284 132 G HA2 -0.131 3.829 3.960 0.000 0.000 0.201 132 G HA3 -0.131 3.829 3.960 0.000 0.000 0.201 132 G C 0.264 175.165 174.900 0.002 0.000 0.998 132 G CA -0.289 44.804 45.100 -0.010 0.000 0.651 132 G HN 1.039 nan 8.290 nan 0.000 0.489 133 G N -0.660 108.136 108.800 -0.007 0.000 2.828 133 G HA2 0.650 4.610 3.960 0.000 0.000 0.244 133 G HA3 0.650 4.610 3.960 0.000 0.000 0.244 133 G C 1.109 176.010 174.900 0.001 0.000 1.365 133 G CA 0.469 45.569 45.100 0.000 0.000 1.041 133 G HN 1.040 nan 8.290 nan 0.000 0.560 134 G N -1.085 107.717 108.800 0.003 0.000 2.610 134 G HA2 0.077 4.037 3.960 0.000 0.000 0.215 134 G HA3 0.077 4.037 3.960 0.000 0.000 0.215 134 G C 1.675 176.576 174.900 0.002 0.000 1.243 134 G CA 1.698 46.800 45.100 0.004 0.000 0.847 134 G HN 0.556 nan 8.290 nan 0.000 0.560 135 T N 1.277 115.830 114.554 -0.000 0.000 2.555 135 T HA -0.125 4.225 4.350 0.000 0.000 0.264 135 T C 2.421 177.120 174.700 -0.002 0.000 1.083 135 T CA 2.007 64.107 62.100 -0.001 0.000 1.179 135 T CB -1.076 67.790 68.868 -0.004 0.000 0.863 135 T HN 0.367 nan 8.240 nan 0.000 0.412 136 G N 1.294 110.088 108.800 -0.009 0.000 2.586 136 G HA2 -0.297 3.663 3.960 0.000 0.000 0.218 136 G HA3 -0.297 3.663 3.960 0.000 0.000 0.218 136 G C 1.745 176.642 174.900 -0.005 0.000 1.216 136 G CA 1.859 46.953 45.100 -0.011 0.000 0.786 136 G HN 0.523 nan 8.290 nan 0.000 0.583 137 T N 0.895 115.444 114.554 -0.008 0.000 2.737 137 T HA -0.090 4.260 4.350 0.000 0.000 0.269 137 T C 2.383 177.088 174.700 0.008 0.000 1.040 137 T CA 1.695 63.793 62.100 -0.004 0.000 1.142 137 T CB -0.561 68.303 68.868 -0.006 0.000 0.861 137 T HN 0.418 nan 8.240 nan 0.000 0.456 138 G N 1.330 110.136 108.800 0.009 0.000 2.404 138 G HA2 -0.148 3.812 3.960 0.000 0.000 0.213 138 G HA3 -0.148 3.812 3.960 0.000 0.000 0.213 138 G C 1.956 176.868 174.900 0.019 0.000 1.189 138 G CA 1.077 46.186 45.100 0.015 0.000 0.796 138 G HN 0.624 nan 8.290 nan 0.000 0.532 139 S N 1.381 117.090 115.700 0.014 0.000 2.371 139 S HA 0.189 4.659 4.470 0.000 0.000 0.224 139 S C 2.660 177.272 174.600 0.021 0.000 1.029 139 S CA 1.423 59.632 58.200 0.014 0.000 0.978 139 S CB -0.630 62.575 63.200 0.008 0.000 0.833 139 S HN 0.660 nan 8.310 nan 0.000 0.466 140 A N 3.282 126.115 122.820 0.021 0.000 1.954 140 A HA -0.121 4.199 4.320 0.000 0.000 0.222 140 A C 0.105 177.717 177.584 0.047 0.000 1.199 140 A CA 2.190 54.244 52.037 0.028 0.000 0.657 140 A CB -1.981 17.032 19.000 0.022 0.000 0.823 140 A HN 0.595 nan 8.150 nan 0.000 0.463 141 P HA 0.028 nan 4.420 nan 0.000 0.224 141 P C 1.540 178.900 177.300 0.101 0.000 1.157 141 P CA 0.637 63.812 63.100 0.124 0.000 0.799 141 P CB 0.008 31.798 31.700 0.150 0.000 0.809 142 V N -0.231 119.708 119.914 0.043 0.000 2.295 142 V HA -0.189 3.931 4.120 0.000 0.000 0.246 142 V C 2.413 178.489 176.094 -0.029 0.000 1.049 142 V CA 1.742 64.036 62.300 -0.011 0.000 1.024 142 V CB -1.164 30.656 31.823 -0.006 0.000 0.648 142 V HN -0.043 nan 8.190 nan 0.000 0.447 143 V N 0.220 120.131 119.914 -0.004 0.000 2.407 143 V HA -0.272 3.848 4.120 0.000 0.000 0.248 143 V C 2.662 178.751 176.094 -0.008 0.000 1.055 143 V CA 1.969 64.266 62.300 -0.006 0.000 1.049 143 V CB -1.003 30.825 31.823 0.008 0.000 0.662 143 V HN 0.571 nan 8.190 nan 0.000 0.455 144 A N -0.507 122.321 122.820 0.013 0.000 1.877 144 A HA -0.286 4.034 4.320 0.000 0.000 0.216 144 A C 2.288 179.865 177.584 -0.012 0.000 1.186 144 A CA 2.049 54.103 52.037 0.029 0.000 0.620 144 A CB -0.538 18.520 19.000 0.097 0.000 0.822 144 A HN 0.614 nan 8.150 nan 0.000 0.443 145 E N -0.203 119.931 120.200 -0.110 0.000 2.051 145 E HA -0.182 4.168 4.350 0.000 0.000 0.192 145 E C 1.910 178.424 176.600 -0.144 0.000 0.991 145 E CA 1.376 57.611 56.400 -0.276 0.000 0.799 145 E CB -0.238 29.101 29.700 -0.602 0.000 0.748 145 E HN 0.672 nan 8.360 nan 0.000 0.449 146 I N 0.436 120.945 120.570 -0.101 0.000 2.226 146 I HA -0.274 3.896 4.170 0.000 0.000 0.245 146 I C 2.734 178.824 176.117 -0.044 0.000 1.100 146 I CA 1.054 62.316 61.300 -0.064 0.000 1.374 146 I CB -0.456 37.518 38.000 -0.044 0.000 1.057 146 I HN 0.157 nan 8.210 nan 0.000 0.413 147 S N 0.833 116.512 115.700 -0.036 0.000 2.353 147 S HA -0.251 4.219 4.470 0.000 0.000 0.222 147 S C 2.124 176.709 174.600 -0.026 0.000 1.035 147 S CA 1.651 59.836 58.200 -0.026 0.000 1.025 147 S CB -0.150 63.036 63.200 -0.022 0.000 0.902 147 S HN 0.298 nan 8.310 nan 0.000 0.440 148 K N 0.463 120.847 120.400 -0.027 0.000 2.063 148 K HA -0.079 4.241 4.320 0.000 0.000 0.208 148 K C 2.328 178.915 176.600 -0.021 0.000 1.048 148 K CA 1.344 57.620 56.287 -0.018 0.000 0.928 148 K CB -0.162 32.337 32.500 -0.003 0.000 0.713 148 K HN 0.348 nan 8.250 nan 0.000 0.442 149 K N 0.839 121.219 120.400 -0.034 0.000 2.103 149 K HA -0.147 4.173 4.320 0.000 0.000 0.207 149 K C 1.866 178.454 176.600 -0.020 0.000 1.048 149 K CA 1.494 57.763 56.287 -0.030 0.000 0.930 149 K CB -0.256 32.220 32.500 -0.040 0.000 0.716 149 K HN 0.363 nan 8.250 nan 0.000 0.444 150 I N -2.437 118.122 120.570 -0.019 0.000 3.686 150 I HA 0.189 4.359 4.170 0.000 0.000 0.308 150 I C 0.754 176.866 176.117 -0.008 0.000 1.254 150 I CA 0.461 61.753 61.300 -0.013 0.000 1.175 150 I CB -0.434 37.558 38.000 -0.014 0.000 1.009 150 I HN 0.228 nan 8.210 nan 0.000 0.459 151 G N 1.362 110.157 108.800 -0.008 0.000 2.196 151 G HA2 -0.332 3.628 3.960 0.000 0.000 0.268 151 G HA3 -0.332 3.628 3.960 0.000 0.000 0.268 151 G C 0.522 175.423 174.900 0.003 0.000 0.975 151 G CA 0.212 45.310 45.100 -0.002 0.000 0.648 151 G HN 1.000 nan 8.290 nan 0.000 0.538 152 A N -0.135 122.684 122.820 -0.002 0.000 2.445 152 A HA 0.611 4.931 4.320 0.000 0.000 0.242 152 A C 0.765 178.341 177.584 -0.014 0.000 1.075 152 A CA 0.073 52.111 52.037 0.002 0.000 0.777 152 A CB 0.481 19.476 19.000 -0.009 0.000 1.013 152 A HN 1.259 nan 8.150 nan 0.000 0.493 153 L N 2.258 123.476 121.223 -0.008 0.000 2.433 153 L HA 0.193 4.533 4.340 0.000 0.000 0.275 153 L C -0.178 176.621 176.870 -0.119 0.000 1.128 153 L CA 0.114 54.920 54.840 -0.056 0.000 0.875 153 L CB 0.302 42.327 42.059 -0.056 0.000 1.171 153 L HN 0.741 nan 8.230 nan 0.000 0.463 154 T N 4.785 119.276 114.554 -0.106 0.000 2.744 154 T HA 0.451 4.801 4.350 0.000 0.000 0.291 154 T C -0.347 174.264 174.700 -0.148 0.000 0.957 154 T CA -0.320 61.708 62.100 -0.120 0.000 1.002 154 T CB 1.286 70.124 68.868 -0.050 0.000 0.919 154 T HN 0.324 nan 8.240 nan 0.000 0.468 155 V N 2.624 122.397 119.914 -0.235 0.000 2.577 155 V HA 0.787 4.907 4.120 0.000 0.000 0.303 155 V C -0.159 175.907 176.094 -0.047 0.000 1.042 155 V CA -1.042 61.146 62.300 -0.187 0.000 0.872 155 V CB 1.752 33.351 31.823 -0.373 0.000 0.998 155 V HN 1.024 nan 8.190 nan 0.000 0.423 156 A N 4.101 126.940 122.820 0.031 0.000 2.337 156 A HA 0.893 5.213 4.320 0.000 0.000 0.329 156 A C -0.788 176.855 177.584 0.098 0.000 1.146 156 A CA -0.573 51.507 52.037 0.073 0.000 0.800 156 A CB 1.719 20.747 19.000 0.047 0.000 1.220 156 A HN 0.829 nan 8.150 nan 0.000 0.472 157 V N 3.527 123.504 119.914 0.105 0.000 2.327 157 V HA 0.456 4.576 4.120 0.000 0.000 0.272 157 V C -0.179 175.932 176.094 0.029 0.000 1.019 157 V CA -0.439 61.907 62.300 0.076 0.000 0.814 157 V CB 0.461 32.341 31.823 0.095 0.000 1.040 157 V HN 0.991 nan 8.190 nan 0.000 0.440 158 V N 1.345 121.262 119.914 0.005 0.000 2.864 158 V HA 0.955 5.075 4.120 0.000 0.000 0.314 158 V C 0.167 176.228 176.094 -0.055 0.000 1.073 158 V CA -0.402 61.882 62.300 -0.026 0.000 0.956 158 V CB 2.042 33.849 31.823 -0.027 0.000 1.023 158 V HN 0.736 nan 8.190 nan 0.000 0.435 159 T N 1.432 115.938 114.554 -0.081 0.000 2.943 159 T HA 0.780 5.130 4.350 0.000 0.000 0.284 159 T C -0.672 173.949 174.700 -0.132 0.000 1.015 159 T CA -0.673 61.356 62.100 -0.117 0.000 1.042 159 T CB 1.568 70.349 68.868 -0.144 0.000 1.055 159 T HN 0.600 nan 8.240 nan 0.000 0.500 160 L N 2.834 123.960 121.223 -0.161 0.000 2.334 160 L HA 0.586 4.926 4.340 0.000 0.000 0.275 160 L C -1.999 174.759 176.870 -0.186 0.000 1.036 160 L CA -2.436 52.311 54.840 -0.154 0.000 0.807 160 L CB 1.154 43.123 42.059 -0.150 0.000 1.231 160 L HN 0.588 nan 8.230 nan 0.000 0.438 161 P HA 0.061 nan 4.420 nan 0.000 0.272 161 P C -0.609 176.664 177.300 -0.046 0.000 1.230 161 P CA -0.183 62.887 63.100 -0.049 0.000 0.788 161 P CB 0.405 32.128 31.700 0.039 0.000 0.949 162 F N 0.028 120.047 119.950 0.114 0.000 2.410 162 F HA -0.011 4.516 4.527 0.000 0.000 0.334 162 F C 2.030 177.891 175.800 0.102 0.000 1.134 162 F CA -0.050 58.022 58.000 0.119 0.000 1.227 162 F CB 0.052 39.141 39.000 0.148 0.000 1.194 162 F HN 0.032 nan 8.300 nan 0.000 0.571 163 V N 2.586 122.699 119.914 0.331 0.000 2.594 163 V HA -0.324 3.797 4.120 0.000 0.000 0.253 163 V C 2.073 178.255 176.094 0.147 0.000 1.069 163 V CA 1.789 64.202 62.300 0.188 0.000 1.082 163 V CB -0.815 31.098 31.823 0.151 0.000 0.680 163 V HN 0.789 nan 8.190 nan 0.000 0.469 164 M N -0.421 119.276 119.600 0.162 0.000 2.279 164 M HA -0.184 4.296 4.480 0.000 0.000 0.264 164 M C 1.951 178.300 176.300 0.081 0.000 1.062 164 M CA 1.631 56.974 55.300 0.071 0.000 1.099 164 M CB -0.561 32.042 32.600 0.004 0.000 1.394 164 M HN 0.384 nan 8.290 nan 0.000 0.426 165 E N 0.680 120.966 120.200 0.143 0.000 2.409 165 E HA 0.113 4.463 4.350 0.000 0.000 0.198 165 E C 0.800 177.455 176.600 0.091 0.000 1.024 165 E CA 0.256 56.736 56.400 0.134 0.000 0.861 165 E CB -0.121 29.698 29.700 0.198 0.000 0.788 165 E HN 0.583 nan 8.360 nan 0.000 0.521 166 G N 1.441 110.287 108.800 0.077 0.000 2.692 166 G HA2 -0.273 3.687 3.960 0.000 0.000 0.686 166 G HA3 -0.273 3.687 3.960 0.000 0.000 0.686 166 G C 0.067 174.996 174.900 0.047 0.000 1.243 166 G CA -0.100 45.032 45.100 0.053 0.000 0.782 166 G HN 0.081 nan 8.290 nan 0.000 0.625 167 K N -0.073 120.348 120.400 0.035 0.000 2.020 167 K HA -0.108 4.212 4.320 0.000 0.000 0.212 167 K C 2.762 179.376 176.600 0.025 0.000 1.050 167 K CA 2.394 58.697 56.287 0.028 0.000 0.929 167 K CB -0.370 32.144 32.500 0.022 0.000 0.714 167 K HN 0.478 nan 8.250 nan 0.000 0.443 168 V N 0.936 120.865 119.914 0.025 0.000 2.231 168 V HA -0.325 3.795 4.120 0.000 0.000 0.250 168 V C 2.433 178.541 176.094 0.023 0.000 1.058 168 V CA 2.188 64.502 62.300 0.022 0.000 1.022 168 V CB -0.499 31.338 31.823 0.023 0.000 0.640 168 V HN 0.341 nan 8.190 nan 0.000 0.445 169 R N -0.667 119.852 120.500 0.032 0.000 2.096 169 R HA -0.220 4.120 4.340 0.000 0.000 0.240 169 R C 2.138 178.450 176.300 0.020 0.000 1.139 169 R CA 2.436 58.557 56.100 0.035 0.000 0.952 169 R CB -0.744 29.591 30.300 0.060 0.000 0.854 169 R HN 0.548 nan 8.270 nan 0.000 0.436 170 M N 0.195 119.807 119.600 0.020 0.000 2.132 170 M HA -0.101 4.379 4.480 0.000 0.000 0.263 170 M C 1.884 178.175 176.300 -0.014 0.000 1.065 170 M CA 1.867 57.166 55.300 -0.001 0.000 1.122 170 M CB -0.312 32.291 32.600 0.005 0.000 1.365 170 M HN -0.036 nan 8.290 nan 0.000 0.411 171 K N 0.310 120.709 120.400 -0.002 0.000 2.044 171 K HA -0.173 4.147 4.320 0.000 0.000 0.210 171 K C 1.535 178.131 176.600 -0.007 0.000 1.049 171 K CA 2.545 58.831 56.287 -0.003 0.000 0.927 171 K CB -0.646 31.858 32.500 0.007 0.000 0.713 171 K HN 0.701 nan 8.250 nan 0.000 0.443 172 N N -0.470 118.229 118.700 -0.003 0.000 2.084 172 N HA -0.145 4.595 4.740 0.000 0.000 0.190 172 N C 1.777 177.276 175.510 -0.017 0.000 1.030 172 N CA 0.900 53.948 53.050 -0.003 0.000 0.849 172 N CB -0.258 38.231 38.487 0.003 0.000 1.012 172 N HN 0.325 nan 8.380 nan 0.000 0.423 173 A N 1.539 124.342 122.820 -0.028 0.000 1.917 173 A HA -0.188 4.132 4.320 0.000 0.000 0.219 173 A C 2.163 179.698 177.584 -0.083 0.000 1.182 173 A CA 1.411 53.417 52.037 -0.052 0.000 0.633 173 A CB -0.377 18.586 19.000 -0.061 0.000 0.819 173 A HN 0.158 nan 8.150 nan 0.000 0.448 174 M N -0.377 119.169 119.600 -0.090 0.000 2.086 174 M HA -0.133 4.347 4.480 0.000 0.000 0.261 174 M C 1.956 178.219 176.300 -0.062 0.000 1.067 174 M CA 1.619 56.839 55.300 -0.132 0.000 1.116 174 M CB -1.630 30.910 32.600 -0.100 0.000 1.348 174 M HN 0.552 nan 8.290 nan 0.000 0.407 175 E N -0.353 119.838 120.200 -0.014 0.000 2.077 175 E HA -0.137 4.213 4.350 0.000 0.000 0.193 175 E C 2.090 178.701 176.600 0.020 0.000 0.989 175 E CA 1.190 57.602 56.400 0.020 0.000 0.800 175 E CB -0.406 29.305 29.700 0.018 0.000 0.746 175 E HN 0.630 nan 8.360 nan 0.000 0.452 176 G N 1.569 110.368 108.800 -0.001 0.000 2.418 176 G HA2 -0.264 3.696 3.960 0.000 0.000 0.217 176 G HA3 -0.264 3.696 3.960 0.000 0.000 0.217 176 G C 1.569 176.473 174.900 0.007 0.000 1.158 176 G CA 0.557 45.659 45.100 0.004 0.000 0.771 176 G HN 0.138 nan 8.290 nan 0.000 0.545 177 L N 0.740 121.945 121.223 -0.031 0.000 2.081 177 L HA -0.066 4.274 4.340 0.000 0.000 0.212 177 L C 2.644 179.587 176.870 0.122 0.000 1.080 177 L CA 2.565 57.383 54.840 -0.036 0.000 0.754 177 L CB -0.510 41.390 42.059 -0.264 0.000 0.893 177 L HN 0.349 nan 8.230 nan 0.000 0.433 178 E N -0.257 120.042 120.200 0.165 0.000 2.017 178 E HA -0.227 4.123 4.350 0.000 0.000 0.193 178 E C 2.334 178.979 176.600 0.076 0.000 0.997 178 E CA 1.610 58.146 56.400 0.227 0.000 0.804 178 E CB -0.204 29.599 29.700 0.172 0.000 0.757 178 E HN 0.371 nan 8.360 nan 0.000 0.448 179 R N -0.360 120.160 120.500 0.034 0.000 2.122 179 R HA -0.213 4.127 4.340 0.000 0.000 0.236 179 R C 2.470 178.732 176.300 -0.064 0.000 1.129 179 R CA 1.720 57.808 56.100 -0.019 0.000 0.925 179 R CB -0.971 29.346 30.300 0.028 0.000 0.850 179 R HN 0.238 nan 8.270 nan 0.000 0.431 180 L N 1.770 123.000 121.223 0.012 0.000 2.089 180 L HA -0.262 4.078 4.340 0.000 0.000 0.213 180 L C 2.353 179.219 176.870 -0.006 0.000 1.079 180 L CA 1.856 56.712 54.840 0.027 0.000 0.758 180 L CB -0.492 41.594 42.059 0.044 0.000 0.891 180 L HN 0.136 nan 8.230 nan 0.000 0.433 181 K N -0.970 119.439 120.400 0.014 0.000 2.103 181 K HA -0.244 4.076 4.320 0.000 0.000 0.207 181 K C 1.957 178.502 176.600 -0.092 0.000 1.048 181 K CA 1.779 58.066 56.287 0.001 0.000 0.930 181 K CB -0.084 32.440 32.500 0.040 0.000 0.716 181 K HN 0.513 nan 8.250 nan 0.000 0.444 182 Q N -0.919 118.750 119.800 -0.218 0.000 2.369 182 Q HA -0.093 4.247 4.340 0.000 0.000 0.206 182 Q C 0.316 176.090 176.000 -0.376 0.000 0.963 182 Q CA 0.768 56.362 55.803 -0.348 0.000 0.894 182 Q CB 0.246 28.683 28.738 -0.502 0.000 0.965 182 Q HN 0.425 nan 8.270 nan 0.000 0.475 183 H N -0.857 118.216 119.070 0.005 0.000 2.492 183 H HA 0.328 4.884 4.556 0.000 0.000 0.264 183 H C -0.473 174.850 175.328 -0.008 0.000 1.150 183 H CA 0.000 56.047 56.048 -0.003 0.000 0.962 183 H CB 0.492 30.253 29.762 -0.001 0.000 1.766 183 H HN -0.035 nan 8.280 nan 0.000 0.589 184 T N -0.325 114.264 114.554 0.058 0.000 2.906 184 T HA 0.181 4.531 4.350 0.000 0.000 0.295 184 T C 0.723 175.424 174.700 0.002 0.000 1.061 184 T CA -0.675 61.441 62.100 0.027 0.000 1.000 184 T CB 2.710 71.591 68.868 0.021 0.000 1.103 184 T HN 0.037 nan 8.240 nan 0.000 0.486 185 D N 0.922 121.311 120.400 -0.019 0.000 2.240 185 D HA 0.063 4.703 4.640 0.000 0.000 0.206 185 D C 0.729 177.012 176.300 -0.029 0.000 0.963 185 D CA 1.097 55.078 54.000 -0.031 0.000 0.863 185 D CB 0.598 41.366 40.800 -0.053 0.000 0.973 185 D HN 0.562 nan 8.370 nan 0.000 0.501 186 T N 0.380 114.919 114.554 -0.025 0.000 3.483 186 T HA 0.353 4.703 4.350 0.000 0.000 0.329 186 T C -1.995 172.713 174.700 0.012 0.000 1.014 186 T CA -0.739 61.357 62.100 -0.007 0.000 1.056 186 T CB 0.834 69.695 68.868 -0.012 0.000 1.090 186 T HN -0.152 nan 8.240 nan 0.000 0.460 187 L N 6.654 127.895 121.223 0.031 0.000 2.280 187 L HA 0.741 5.081 4.340 0.000 0.000 0.287 187 L C -0.914 175.989 176.870 0.055 0.000 1.023 187 L CA -0.414 54.455 54.840 0.048 0.000 0.819 187 L CB 1.197 43.296 42.059 0.067 0.000 1.212 187 L HN 0.543 nan 8.230 nan 0.000 0.420 188 V N 6.198 126.144 119.914 0.054 0.000 2.347 188 V HA 0.489 4.609 4.120 0.000 0.000 0.280 188 V C -0.263 175.846 176.094 0.025 0.000 1.021 188 V CA -0.669 61.660 62.300 0.047 0.000 0.847 188 V CB 1.506 33.366 31.823 0.062 0.000 0.990 188 V HN 0.565 nan 8.190 nan 0.000 0.444 189 V N 3.713 123.634 119.914 0.010 0.000 2.448 189 V HA 0.706 4.826 4.120 0.000 0.000 0.295 189 V C -0.624 175.447 176.094 -0.039 0.000 1.025 189 V CA -0.808 61.477 62.300 -0.025 0.000 0.859 189 V CB 1.519 33.313 31.823 -0.049 0.000 0.988 189 V HN 0.574 nan 8.190 nan 0.000 0.431 190 I N 6.342 126.875 120.570 -0.061 0.000 2.330 190 I HA 0.504 4.674 4.170 0.000 0.000 0.289 190 I C -2.458 173.589 176.117 -0.118 0.000 1.001 190 I CA -2.219 59.035 61.300 -0.076 0.000 1.193 190 I CB 1.708 39.660 38.000 -0.080 0.000 1.345 190 I HN 0.456 nan 8.210 nan 0.000 0.461 191 P HA 0.270 nan 4.420 nan 0.000 0.256 191 P C 0.327 177.501 177.300 -0.209 0.000 1.689 191 P CA -0.186 62.830 63.100 -0.141 0.000 1.124 191 P CB 0.079 31.727 31.700 -0.087 0.000 1.766 192 N N 1.590 120.078 118.700 -0.352 0.000 2.187 192 N HA -0.303 4.437 4.740 0.000 0.000 0.194 192 N C 1.613 176.761 175.510 -0.603 0.000 1.002 192 N CA 1.053 53.718 53.050 -0.643 0.000 0.882 192 N CB -0.034 37.741 38.487 -1.186 0.000 1.003 192 N HN 0.390 nan 8.380 nan 0.000 0.443 193 E N 1.545 121.548 120.200 -0.328 0.000 2.058 193 E HA -0.155 4.195 4.350 0.000 0.000 0.194 193 E C 1.411 178.053 176.600 0.070 0.000 0.997 193 E CA 1.289 57.714 56.400 0.041 0.000 0.801 193 E CB 0.059 29.821 29.700 0.102 0.000 0.746 193 E HN 0.086 nan 8.360 nan 0.000 0.450 194 K N 0.042 120.440 120.400 -0.004 0.000 2.362 194 K HA -0.138 4.182 4.320 0.000 0.000 0.202 194 K C 1.847 178.453 176.600 0.010 0.000 1.045 194 K CA 0.433 56.733 56.287 0.022 0.000 0.936 194 K CB -0.370 32.127 32.500 -0.005 0.000 0.747 194 K HN 0.201 nan 8.250 nan 0.000 0.467 195 L N -0.052 121.130 121.223 -0.068 0.000 2.127 195 L HA -0.143 4.197 4.340 0.000 0.000 0.211 195 L C 1.892 178.728 176.870 -0.056 0.000 1.089 195 L CA 1.485 56.268 54.840 -0.096 0.000 0.757 195 L CB -0.798 41.168 42.059 -0.154 0.000 0.899 195 L HN 0.045 nan 8.230 nan 0.000 0.434 196 F N -0.284 119.748 119.950 0.138 0.000 2.451 196 F HA -0.110 4.417 4.527 0.000 0.000 0.299 196 F C 2.293 178.125 175.800 0.053 0.000 1.101 196 F CA 0.570 58.621 58.000 0.085 0.000 1.436 196 F CB -0.631 38.417 39.000 0.081 0.000 1.074 196 F HN 0.239 nan 8.300 nan 0.000 0.553 197 E N -0.458 119.858 120.200 0.193 0.000 2.502 197 E HA 0.017 4.367 4.350 0.000 0.000 0.194 197 E C 1.707 178.359 176.600 0.087 0.000 1.062 197 E CA 0.229 56.702 56.400 0.122 0.000 0.867 197 E CB 0.137 29.889 29.700 0.087 0.000 0.888 197 E HN 0.431 nan 8.360 nan 0.000 0.510 198 I N -1.244 119.378 120.570 0.087 0.000 3.623 198 I HA 0.044 4.214 4.170 0.000 0.000 0.253 198 I C 0.792 176.952 176.117 0.072 0.000 1.144 198 I CA -0.063 61.272 61.300 0.059 0.000 1.461 198 I CB 0.403 38.422 38.000 0.032 0.000 1.575 198 I HN -0.146 nan 8.210 nan 0.000 0.445 199 V N 2.135 122.100 119.914 0.085 0.000 3.083 199 V HA 0.274 4.394 4.120 0.000 0.000 0.306 199 V C -2.172 174.029 176.094 0.178 0.000 1.077 199 V CA -1.564 60.796 62.300 0.101 0.000 1.073 199 V CB 1.488 33.354 31.823 0.071 0.000 1.081 199 V HN -0.007 nan 8.190 nan 0.000 0.474 200 P HA 0.223 nan 4.420 nan 0.000 0.278 200 P C -0.922 176.471 177.300 0.154 0.000 1.266 200 P CA -0.612 62.561 63.100 0.121 0.000 0.807 200 P CB 0.347 32.082 31.700 0.058 0.000 1.094 201 N N 1.455 120.158 118.700 0.004 0.000 2.353 201 N HA 0.118 4.858 4.740 0.000 0.000 0.248 201 N C 0.053 175.527 175.510 -0.060 0.000 1.240 201 N CA 1.016 53.967 53.050 -0.166 0.000 0.862 201 N CB -0.163 38.205 38.487 -0.198 0.000 1.086 201 N HN 0.458 nan 8.380 nan 0.000 0.453 202 M N -1.408 118.144 119.600 -0.081 0.000 2.694 202 M HA 0.431 4.911 4.480 0.000 0.000 0.276 202 M C -3.167 173.082 176.300 -0.085 0.000 1.167 202 M CA -1.637 53.645 55.300 -0.030 0.000 0.849 202 M CB 1.526 34.155 32.600 0.048 0.000 1.705 202 M HN 0.008 nan 8.290 nan 0.000 0.504 203 P HA 0.022 nan 4.420 nan 0.000 0.265 203 P C 0.766 177.932 177.300 -0.223 0.000 1.187 203 P CA -0.529 62.486 63.100 -0.142 0.000 0.766 203 P CB 0.537 32.173 31.700 -0.106 0.000 0.820 204 L N 3.087 124.126 121.223 -0.307 0.000 2.270 204 L HA -0.215 4.125 4.340 0.000 0.000 0.217 204 L C 1.755 178.206 176.870 -0.699 0.000 1.107 204 L CA 2.017 56.523 54.840 -0.558 0.000 0.772 204 L CB -0.521 41.251 42.059 -0.478 0.000 0.902 204 L HN 0.503 nan 8.230 nan 0.000 0.439 205 K N -0.527 119.656 120.400 -0.361 0.000 2.007 205 K HA -0.184 4.136 4.320 0.000 0.000 0.206 205 K C 2.062 178.600 176.600 -0.105 0.000 1.047 205 K CA 1.030 57.196 56.287 -0.202 0.000 0.937 205 K CB 0.073 32.526 32.500 -0.078 0.000 0.718 205 K HN 0.236 nan 8.250 nan 0.000 0.438 206 L N 1.248 122.413 121.223 -0.097 0.000 2.109 206 L HA 0.014 4.354 4.340 0.000 0.000 0.207 206 L C 2.557 179.414 176.870 -0.022 0.000 1.086 206 L CA 1.750 56.573 54.840 -0.028 0.000 0.760 206 L CB -1.288 40.758 42.059 -0.021 0.000 0.910 206 L HN 0.245 nan 8.230 nan 0.000 0.437 207 A N -0.489 122.250 122.820 -0.134 0.000 1.927 207 A HA -0.257 4.063 4.320 0.000 0.000 0.220 207 A C 2.171 179.829 177.584 0.123 0.000 1.185 207 A CA 1.760 53.691 52.037 -0.177 0.000 0.639 207 A CB -0.925 17.649 19.000 -0.709 0.000 0.820 207 A HN 0.315 nan 8.150 nan 0.000 0.451 208 F N 0.405 120.388 119.950 0.054 0.000 2.192 208 F HA -0.157 4.370 4.527 0.000 0.000 0.301 208 F C 2.252 178.098 175.800 0.078 0.000 1.079 208 F CA 1.393 59.476 58.000 0.138 0.000 1.303 208 F CB -0.478 38.579 39.000 0.095 0.000 1.024 208 F HN 0.169 nan 8.300 nan 0.000 0.494 209 K N 0.119 120.659 120.400 0.234 0.000 2.057 209 K HA -0.068 4.252 4.320 0.000 0.000 0.206 209 K C 2.350 179.010 176.600 0.100 0.000 1.050 209 K CA 0.892 57.258 56.287 0.131 0.000 0.935 209 K CB -1.146 31.405 32.500 0.085 0.000 0.715 209 K HN 0.162 nan 8.250 nan 0.000 0.439 210 V N 1.873 121.848 119.914 0.101 0.000 2.255 210 V HA -0.276 3.844 4.120 0.000 0.000 0.247 210 V C 2.512 178.648 176.094 0.071 0.000 1.051 210 V CA 2.107 64.448 62.300 0.068 0.000 1.018 210 V CB -0.907 30.946 31.823 0.050 0.000 0.641 210 V HN 0.305 nan 8.190 nan 0.000 0.445 211 A N -0.210 122.687 122.820 0.130 0.000 1.883 211 A HA -0.294 4.026 4.320 0.000 0.000 0.217 211 A C 2.025 179.629 177.584 0.033 0.000 1.186 211 A CA 2.086 54.169 52.037 0.076 0.000 0.624 211 A CB -0.794 18.283 19.000 0.128 0.000 0.822 211 A HN 0.575 nan 8.150 nan 0.000 0.444 212 D N -0.521 119.910 120.400 0.053 0.000 2.157 212 D HA -0.209 4.431 4.640 0.000 0.000 0.191 212 D C 1.857 178.159 176.300 0.002 0.000 1.004 212 D CA 1.902 55.911 54.000 0.015 0.000 0.854 212 D CB -0.283 40.535 40.800 0.029 0.000 0.936 212 D HN 0.508 nan 8.370 nan 0.000 0.446 213 E N 0.528 120.735 120.200 0.012 0.000 2.005 213 E HA -0.137 4.213 4.350 0.000 0.000 0.198 213 E C 2.329 178.921 176.600 -0.014 0.000 1.010 213 E CA 0.626 57.025 56.400 -0.001 0.000 0.825 213 E CB -0.523 29.180 29.700 0.005 0.000 0.769 213 E HN 0.023 nan 8.360 nan 0.000 0.456 214 V N 0.917 120.823 119.914 -0.013 0.000 2.363 214 V HA -0.318 3.802 4.120 0.000 0.000 0.254 214 V C 2.485 178.560 176.094 -0.031 0.000 1.074 214 V CA 1.927 64.212 62.300 -0.024 0.000 1.069 214 V CB -0.587 31.219 31.823 -0.029 0.000 0.659 214 V HN 0.273 nan 8.190 nan 0.000 0.455 215 L N -1.257 119.946 121.223 -0.033 0.000 1.994 215 L HA -0.175 4.165 4.340 0.000 0.000 0.208 215 L C 2.385 179.230 176.870 -0.041 0.000 1.071 215 L CA 1.533 56.350 54.840 -0.038 0.000 0.745 215 L CB -0.408 41.626 42.059 -0.042 0.000 0.892 215 L HN 0.233 nan 8.230 nan 0.000 0.431 216 I N 0.085 120.633 120.570 -0.038 0.000 2.264 216 I HA -0.326 3.844 4.170 0.000 0.000 0.248 216 I C 2.352 178.438 176.117 -0.050 0.000 1.111 216 I CA 1.315 62.589 61.300 -0.043 0.000 1.382 216 I CB -0.758 37.222 38.000 -0.034 0.000 1.060 216 I HN 0.310 nan 8.210 nan 0.000 0.418 217 N N 0.424 119.097 118.700 -0.044 0.000 2.106 217 N HA -0.113 4.627 4.740 0.000 0.000 0.188 217 N C 1.911 177.390 175.510 -0.051 0.000 1.029 217 N CA 1.644 54.664 53.050 -0.051 0.000 0.848 217 N CB -0.058 38.402 38.487 -0.044 0.000 1.007 217 N HN 0.378 nan 8.380 nan 0.000 0.423 218 A N 0.533 123.328 122.820 -0.041 0.000 1.898 218 A HA -0.054 4.266 4.320 0.000 0.000 0.216 218 A C 2.554 180.106 177.584 -0.053 0.000 1.181 218 A CA 1.314 53.333 52.037 -0.030 0.000 0.620 218 A CB -0.691 18.299 19.000 -0.017 0.000 0.819 218 A HN 0.151 nan 8.150 nan 0.000 0.442 219 V N 0.064 119.928 119.914 -0.085 0.000 2.255 219 V HA -0.205 3.915 4.120 0.000 0.000 0.243 219 V C 2.516 178.476 176.094 -0.224 0.000 1.038 219 V CA 2.203 64.398 62.300 -0.176 0.000 1.008 219 V CB -0.645 31.090 31.823 -0.147 0.000 0.645 219 V HN 0.664 nan 8.190 nan 0.000 0.449 220 K N 0.233 120.548 120.400 -0.141 0.000 2.103 220 K HA -0.175 4.145 4.320 0.000 0.000 0.207 220 K C 2.104 178.666 176.600 -0.063 0.000 1.048 220 K CA 1.713 57.934 56.287 -0.111 0.000 0.930 220 K CB -0.645 31.813 32.500 -0.070 0.000 0.716 220 K HN 0.494 nan 8.250 nan 0.000 0.444 221 G N 1.534 110.308 108.800 -0.044 0.000 2.459 221 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 221 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 221 G C 1.504 176.491 174.900 0.144 0.000 1.183 221 G CA 0.878 45.999 45.100 0.036 0.000 0.776 221 G HN 0.229 nan 8.290 nan 0.000 0.552 222 L N -0.075 121.158 121.223 0.017 0.000 1.994 222 L HA -0.115 4.225 4.340 0.000 0.000 0.208 222 L C 3.084 179.935 176.870 -0.030 0.000 1.071 222 L CA 0.778 55.632 54.840 0.024 0.000 0.745 222 L CB -0.559 41.512 42.059 0.019 0.000 0.892 222 L HN 0.118 nan 8.230 nan 0.000 0.431 223 V N 0.043 119.812 119.914 -0.242 0.000 2.231 223 V HA -0.334 3.786 4.120 0.000 0.000 0.248 223 V C 2.348 178.423 176.094 -0.032 0.000 1.054 223 V CA 2.123 64.304 62.300 -0.198 0.000 1.015 223 V CB -0.563 31.061 31.823 -0.331 0.000 0.638 223 V HN 0.496 nan 8.190 nan 0.000 0.444 224 E N -0.202 119.997 120.200 -0.003 0.000 2.333 224 E HA -0.230 4.120 4.350 0.000 0.000 0.198 224 E C 2.040 178.621 176.600 -0.030 0.000 1.007 224 E CA 1.059 57.484 56.400 0.042 0.000 0.845 224 E CB -0.255 29.514 29.700 0.115 0.000 0.766 224 E HN 0.478 nan 8.360 nan 0.000 0.507 225 L N 0.684 121.841 121.223 -0.111 0.000 2.191 225 L HA -0.126 4.214 4.340 0.000 0.000 0.212 225 L C 1.782 178.538 176.870 -0.190 0.000 1.103 225 L CA 1.501 56.083 54.840 -0.430 0.000 0.769 225 L CB -0.020 41.894 42.059 -0.241 0.000 0.908 225 L HN 0.057 nan 8.230 nan 0.000 0.438 226 I N -1.342 119.202 120.570 -0.044 0.000 2.729 226 I HA -0.089 4.081 4.170 0.000 0.000 0.256 226 I C 1.961 178.092 176.117 0.023 0.000 1.115 226 I CA 1.159 62.480 61.300 0.035 0.000 1.446 226 I CB -0.282 37.813 38.000 0.158 0.000 1.176 226 I HN 0.377 nan 8.210 nan 0.000 0.446 227 T N -2.024 112.538 114.554 0.013 0.000 3.060 227 T HA 0.088 4.438 4.350 0.000 0.000 0.249 227 T C 0.703 175.398 174.700 -0.009 0.000 1.079 227 T CA -0.149 61.952 62.100 0.001 0.000 1.013 227 T CB 0.039 68.908 68.868 0.002 0.000 0.975 227 T HN 0.004 nan 8.240 nan 0.000 0.518 228 K N 1.706 122.098 120.400 -0.014 0.000 2.185 228 K HA 0.242 4.562 4.320 0.000 0.000 0.269 228 K C -1.061 175.532 176.600 -0.013 0.000 0.987 228 K CA -0.696 55.590 56.287 -0.002 0.000 0.865 228 K CB 0.819 33.336 32.500 0.029 0.000 1.090 228 K HN 0.121 nan 8.250 nan 0.000 0.450 229 D N 2.563 122.961 120.400 -0.003 0.000 2.383 229 D HA 0.150 4.790 4.640 0.000 0.000 0.252 229 D C 0.141 176.445 176.300 0.006 0.000 1.166 229 D CA 0.402 54.400 54.000 -0.003 0.000 0.879 229 D CB 1.649 42.449 40.800 0.001 0.000 1.164 229 D HN 0.754 nan 8.370 nan 0.000 0.462 230 G N 0.626 109.427 108.800 0.001 0.000 3.262 230 G HA2 0.366 4.326 3.960 0.000 0.000 0.229 230 G HA3 0.366 4.326 3.960 0.000 0.000 0.229 230 G C 0.789 175.700 174.900 0.019 0.000 1.280 230 G CA -0.608 44.502 45.100 0.017 0.000 0.951 230 G HN 0.413 nan 8.290 nan 0.000 0.589 231 L N -0.303 120.939 121.223 0.032 0.000 2.492 231 L HA 0.367 4.707 4.340 0.000 0.000 0.223 231 L C 0.312 177.202 176.870 0.034 0.000 1.132 231 L CA 0.739 55.600 54.840 0.034 0.000 0.850 231 L CB -0.375 41.711 42.059 0.045 0.000 0.966 231 L HN 0.109 nan 8.230 nan 0.000 0.454 232 I N -0.656 119.929 120.570 0.024 0.000 2.608 232 I HA 0.178 4.349 4.170 0.000 0.000 0.295 232 I C -0.507 175.589 176.117 -0.035 0.000 1.049 232 I CA -0.649 60.658 61.300 0.010 0.000 1.063 232 I CB 2.232 40.255 38.000 0.038 0.000 1.248 232 I HN -0.024 nan 8.210 nan 0.000 0.424 233 N N 3.348 122.022 118.700 -0.044 0.000 2.497 233 N HA 0.287 5.027 4.740 0.000 0.000 0.271 233 N C -0.890 174.556 175.510 -0.106 0.000 1.142 233 N CA -0.126 52.891 53.050 -0.055 0.000 0.965 233 N CB 1.766 40.232 38.487 -0.035 0.000 1.077 233 N HN 0.222 nan 8.380 nan 0.000 0.462 234 V N 2.496 122.356 119.914 -0.089 0.000 2.380 234 V HA 0.194 4.314 4.120 0.000 0.000 0.286 234 V C -1.077 174.991 176.094 -0.044 0.000 1.015 234 V CA -0.771 61.462 62.300 -0.112 0.000 0.834 234 V CB 1.208 32.957 31.823 -0.123 0.000 1.009 234 V HN 0.637 nan 8.190 nan 0.000 0.428 235 D N 4.495 124.867 120.400 -0.047 0.000 2.317 235 D HA 0.127 4.767 4.640 0.000 0.000 0.252 235 D C 0.729 177.050 176.300 0.035 0.000 1.174 235 D CA -0.077 53.927 54.000 0.006 0.000 0.866 235 D CB 0.970 41.761 40.800 -0.016 0.000 1.127 235 D HN 0.500 nan 8.370 nan 0.000 0.467 236 F N 4.146 124.073 119.950 -0.037 0.000 2.202 236 F HA -0.162 4.365 4.527 0.000 0.000 0.301 236 F C 2.002 177.787 175.800 -0.026 0.000 1.082 236 F CA 1.606 59.589 58.000 -0.028 0.000 1.313 236 F CB -0.079 38.908 39.000 -0.021 0.000 1.024 236 F HN 0.500 nan 8.300 nan 0.000 0.495 237 A N -0.343 122.473 122.820 -0.006 0.000 1.972 237 A HA -0.173 4.147 4.320 0.000 0.000 0.219 237 A C 1.997 179.489 177.584 -0.153 0.000 1.169 237 A CA 1.944 53.933 52.037 -0.080 0.000 0.635 237 A CB -0.729 18.271 19.000 0.001 0.000 0.810 237 A HN 0.428 nan 8.150 nan 0.000 0.446 238 D N -0.466 119.855 120.400 -0.131 0.000 2.183 238 D HA -0.034 4.606 4.640 0.000 0.000 0.205 238 D C 2.110 178.308 176.300 -0.170 0.000 0.962 238 D CA 1.122 55.047 54.000 -0.124 0.000 0.849 238 D CB -0.313 40.430 40.800 -0.095 0.000 0.978 238 D HN 0.206 nan 8.370 nan 0.000 0.488 239 V N 1.411 121.189 119.914 -0.227 0.000 2.287 239 V HA -0.269 3.851 4.120 0.000 0.000 0.248 239 V C 2.506 178.412 176.094 -0.312 0.000 1.053 239 V CA 1.691 63.846 62.300 -0.240 0.000 1.027 239 V CB -0.403 31.265 31.823 -0.257 0.000 0.646 239 V HN 0.122 nan 8.190 nan 0.000 0.447 240 K N -0.078 120.018 120.400 -0.507 0.000 2.057 240 K HA -0.164 4.156 4.320 0.000 0.000 0.207 240 K C 2.176 178.639 176.600 -0.228 0.000 1.049 240 K CA 1.515 57.536 56.287 -0.443 0.000 0.931 240 K CB -0.354 31.819 32.500 -0.546 0.000 0.714 240 K HN 0.451 nan 8.250 nan 0.000 0.440 241 A N 0.221 122.932 122.820 -0.182 0.000 1.873 241 A HA -0.100 4.221 4.320 0.000 0.000 0.215 241 A C 2.208 179.739 177.584 -0.088 0.000 1.186 241 A CA 1.633 53.604 52.037 -0.110 0.000 0.616 241 A CB -0.617 18.331 19.000 -0.086 0.000 0.823 241 A HN 0.149 nan 8.150 nan 0.000 0.442 242 V N -0.116 119.744 119.914 -0.090 0.000 2.427 242 V HA -0.230 3.890 4.120 0.000 0.000 0.248 242 V C 2.455 178.515 176.094 -0.057 0.000 1.051 242 V CA 1.993 64.257 62.300 -0.059 0.000 1.048 242 V CB -0.653 31.142 31.823 -0.046 0.000 0.666 242 V HN 0.546 nan 8.190 nan 0.000 0.456 243 M N -0.510 119.040 119.600 -0.084 0.000 2.509 243 M HA 0.056 4.536 4.480 0.000 0.000 0.250 243 M C 1.713 177.968 176.300 -0.075 0.000 1.132 243 M CA 0.396 55.652 55.300 -0.073 0.000 1.080 243 M CB -0.389 32.158 32.600 -0.089 0.000 1.408 243 M HN 0.299 nan 8.290 nan 0.000 0.484 244 N N 2.422 121.072 118.700 -0.084 0.000 2.520 244 N HA -0.096 4.644 4.740 0.000 0.000 0.185 244 N C 0.137 175.618 175.510 -0.047 0.000 1.068 244 N CA 0.948 53.957 53.050 -0.069 0.000 0.911 244 N CB -0.076 38.369 38.487 -0.071 0.000 0.961 244 N HN 0.663 nan 8.380 nan 0.000 0.446 245 N N -2.856 115.819 118.700 -0.041 0.000 2.475 245 N HA 0.162 4.902 4.740 0.000 0.000 0.272 245 N C 1.115 176.611 175.510 -0.024 0.000 1.482 245 N CA -0.231 52.800 53.050 -0.030 0.000 0.863 245 N CB 0.215 38.685 38.487 -0.028 0.000 1.400 245 N HN -0.185 nan 8.380 nan 0.000 0.489 246 G N 0.428 109.214 108.800 -0.023 0.000 2.450 246 G HA2 0.112 4.072 3.960 0.000 0.000 0.220 246 G HA3 0.112 4.072 3.960 0.000 0.000 0.220 246 G C 1.163 176.061 174.900 -0.004 0.000 1.130 246 G CA 0.815 45.908 45.100 -0.011 0.000 0.760 246 G HN 0.746 nan 8.290 nan 0.000 0.557 247 G N -0.235 108.559 108.800 -0.009 0.000 2.596 247 G HA2 -0.315 3.645 3.960 0.000 0.000 0.304 247 G HA3 -0.315 3.645 3.960 0.000 0.000 0.304 247 G C 0.147 175.054 174.900 0.012 0.000 1.189 247 G CA 0.257 45.353 45.100 -0.008 0.000 0.986 247 G HN 0.730 nan 8.290 nan 0.000 0.548 248 L N 1.493 122.728 121.223 0.020 0.000 2.309 248 L HA 0.671 5.011 4.340 0.000 0.000 0.282 248 L C 0.503 177.399 176.870 0.044 0.000 1.036 248 L CA -0.116 54.755 54.840 0.052 0.000 0.806 248 L CB 1.259 43.362 42.059 0.073 0.000 1.220 248 L HN 1.252 nan 8.230 nan 0.000 0.429 249 A N 6.074 128.924 122.820 0.050 0.000 2.449 249 A HA 0.800 5.120 4.320 0.000 0.000 0.302 249 A C -1.005 176.603 177.584 0.040 0.000 1.048 249 A CA -0.640 51.422 52.037 0.042 0.000 0.708 249 A CB 1.956 20.981 19.000 0.041 0.000 1.274 249 A HN 0.728 nan 8.150 nan 0.000 0.410 250 M N 3.021 122.641 119.600 0.033 0.000 2.326 250 M HA 0.407 4.887 4.480 0.000 0.000 0.306 250 M C -0.246 176.067 176.300 0.022 0.000 1.054 250 M CA -0.404 54.911 55.300 0.024 0.000 0.922 250 M CB 1.944 34.557 32.600 0.022 0.000 1.632 250 M HN 0.805 nan 8.290 nan 0.000 0.436 251 I N 1.382 121.961 120.570 0.015 0.000 3.004 251 I HA 0.567 4.737 4.170 0.000 0.000 0.287 251 I C 0.009 176.132 176.117 0.008 0.000 1.144 251 I CA 0.342 61.649 61.300 0.013 0.000 1.353 251 I CB 0.948 38.950 38.000 0.003 0.000 1.417 251 I HN 0.798 nan 8.210 nan 0.000 0.602 252 G N 7.368 116.173 108.800 0.009 0.000 2.684 252 G HA2 0.536 4.496 3.960 0.000 0.000 0.289 252 G HA3 0.536 4.496 3.960 0.000 0.000 0.289 252 G C -1.337 173.566 174.900 0.004 0.000 1.416 252 G CA -0.491 44.614 45.100 0.007 0.000 1.235 252 G HN 0.548 nan 8.290 nan 0.000 0.576 253 I N 1.202 121.772 120.570 -0.001 0.000 2.646 253 I HA 0.883 5.053 4.170 0.000 0.000 0.299 253 I C 0.543 176.657 176.117 -0.004 0.000 1.036 253 I CA -0.979 60.317 61.300 -0.006 0.000 1.074 253 I CB 2.631 40.624 38.000 -0.013 0.000 1.258 253 I HN 0.676 nan 8.210 nan 0.000 0.430 254 G N 3.150 111.946 108.800 -0.007 0.000 2.677 254 G HA2 0.733 4.693 3.960 0.000 0.000 0.291 254 G HA3 0.733 4.693 3.960 0.000 0.000 0.291 254 G C -1.984 172.910 174.900 -0.009 0.000 1.435 254 G CA -0.495 44.602 45.100 -0.005 0.000 0.826 254 G HN 0.750 nan 8.290 nan 0.000 0.491 255 E N -1.243 118.954 120.200 -0.006 0.000 2.431 255 E HA 0.582 4.932 4.350 0.000 0.000 0.287 255 E C -1.425 175.173 176.600 -0.004 0.000 1.032 255 E CA -0.936 55.459 56.400 -0.008 0.000 0.839 255 E CB 1.507 31.200 29.700 -0.013 0.000 1.218 255 E HN 0.615 nan 8.360 nan 0.000 0.424 256 S N 0.186 115.885 115.700 -0.003 0.000 2.632 256 S HA 0.388 4.858 4.470 0.000 0.000 0.289 256 S C -0.903 173.697 174.600 -0.001 0.000 1.115 256 S CA -0.404 57.795 58.200 -0.001 0.000 0.889 256 S CB 1.920 65.120 63.200 0.000 0.000 1.116 256 S HN 0.689 nan 8.310 nan 0.000 0.486 257 D N 0.599 120.999 120.400 0.000 0.000 2.489 257 D HA 0.157 4.797 4.640 0.000 0.000 0.231 257 D C 1.051 177.352 176.300 0.001 0.000 1.114 257 D CA 0.481 54.481 54.000 0.000 0.000 0.842 257 D CB 0.468 41.268 40.800 0.000 0.000 1.133 257 D HN 0.582 nan 8.370 nan 0.000 0.506 258 S N 0.298 115.999 115.700 0.001 0.000 2.592 258 S HA 0.040 4.510 4.470 0.000 0.000 0.247 258 S C 1.419 176.020 174.600 0.002 0.000 1.322 258 S CA -0.057 58.144 58.200 0.002 0.000 0.973 258 S CB 0.517 63.718 63.200 0.002 0.000 0.971 258 S HN -0.054 nan 8.310 nan 0.000 0.545 259 E N 1.468 121.669 120.200 0.002 0.000 2.016 259 E HA -0.062 4.288 4.350 0.000 0.000 0.190 259 E C 1.121 177.722 176.600 0.002 0.000 0.985 259 E CA 1.072 57.473 56.400 0.002 0.000 0.802 259 E CB -0.271 29.430 29.700 0.002 0.000 0.762 259 E HN 0.735 nan 8.360 nan 0.000 0.448 260 K N 2.587 122.988 120.400 0.001 0.000 3.041 260 K HA 0.115 4.436 4.320 0.000 0.000 0.243 260 K C 1.181 177.782 176.600 0.001 0.000 1.167 260 K CA -0.134 56.153 56.287 0.001 0.000 1.235 260 K CB -0.148 32.353 32.500 0.000 0.000 1.205 260 K HN 0.107 nan 8.250 nan 0.000 0.448 261 R N 0.364 120.865 120.500 0.002 0.000 2.136 261 R HA -0.277 4.063 4.340 0.000 0.000 0.242 261 R C 1.897 178.198 176.300 0.002 0.000 1.131 261 R CA 1.866 57.967 56.100 0.001 0.000 0.937 261 R CB -1.239 29.062 30.300 0.002 0.000 0.863 261 R HN 0.213 nan 8.270 nan 0.000 0.435 262 A N 1.774 124.595 122.820 0.003 0.000 1.849 262 A HA -0.278 4.042 4.320 0.000 0.000 0.217 262 A C 2.302 179.887 177.584 0.001 0.000 1.202 262 A CA 2.150 54.189 52.037 0.003 0.000 0.629 262 A CB -0.703 18.299 19.000 0.004 0.000 0.834 262 A HN 0.462 nan 8.150 nan 0.000 0.447 263 K N -0.252 120.147 120.400 -0.001 0.000 2.218 263 K HA -0.194 4.126 4.320 0.000 0.000 0.205 263 K C 1.880 178.479 176.600 -0.001 0.000 1.046 263 K CA 1.994 58.280 56.287 -0.002 0.000 0.933 263 K CB -0.139 32.360 32.500 -0.002 0.000 0.728 263 K HN 0.706 nan 8.250 nan 0.000 0.454 264 E N -0.963 119.237 120.200 0.000 0.000 2.038 264 E HA -0.020 4.330 4.350 0.000 0.000 0.190 264 E C 1.978 178.579 176.600 0.001 0.000 0.967 264 E CA 0.598 56.998 56.400 0.001 0.000 0.816 264 E CB -0.182 29.519 29.700 0.001 0.000 0.784 264 E HN 0.359 nan 8.360 nan 0.000 0.456 265 A N 1.177 123.998 122.820 0.001 0.000 1.909 265 A HA -0.280 4.040 4.320 0.000 0.000 0.221 265 A C 2.454 180.039 177.584 0.002 0.000 1.223 265 A CA 2.211 54.248 52.037 0.000 0.000 0.658 265 A CB -1.255 17.745 19.000 -0.001 0.000 0.831 265 A HN 0.166 nan 8.150 nan 0.000 0.462 266 V N 0.824 120.740 119.914 0.003 0.000 2.214 266 V HA -0.329 3.791 4.120 0.000 0.000 0.247 266 V C 2.903 178.999 176.094 0.003 0.000 1.051 266 V CA 2.808 65.111 62.300 0.003 0.000 1.003 266 V CB -1.411 30.412 31.823 0.000 0.000 0.635 266 V HN 0.833 nan 8.190 nan 0.000 0.447 267 S N -0.426 115.275 115.700 0.002 0.000 2.440 267 S HA -0.268 4.202 4.470 0.000 0.000 0.238 267 S C 1.891 176.494 174.600 0.004 0.000 1.010 267 S CA 2.084 60.285 58.200 0.003 0.000 0.972 267 S CB -0.653 62.548 63.200 0.002 0.000 0.774 267 S HN 0.573 nan 8.310 nan 0.000 0.501 268 M N 1.679 121.282 119.600 0.004 0.000 2.098 268 M HA 0.053 4.533 4.480 0.000 0.000 0.262 268 M C 2.403 178.706 176.300 0.005 0.000 1.072 268 M CA 1.575 56.877 55.300 0.005 0.000 1.133 268 M CB -0.506 32.096 32.600 0.003 0.000 1.344 268 M HN 0.437 nan 8.290 nan 0.000 0.414 269 A N 0.592 123.414 122.820 0.004 0.000 1.902 269 A HA -0.145 4.175 4.320 0.000 0.000 0.217 269 A C 1.984 179.572 177.584 0.008 0.000 1.181 269 A CA 1.391 53.432 52.037 0.005 0.000 0.623 269 A CB -1.175 17.828 19.000 0.006 0.000 0.818 269 A HN 0.601 nan 8.150 nan 0.000 0.443 270 L N -0.818 120.410 121.223 0.008 0.000 2.450 270 L HA -0.152 4.188 4.340 0.000 0.000 0.224 270 L C 1.303 178.179 176.870 0.008 0.000 1.149 270 L CA 1.161 56.006 54.840 0.008 0.000 0.816 270 L CB -0.399 41.664 42.059 0.006 0.000 0.932 270 L HN 0.528 nan 8.230 nan 0.000 0.449 271 N N -1.947 116.758 118.700 0.008 0.000 2.170 271 N HA 0.016 4.756 4.740 0.000 0.000 0.222 271 N C 0.272 175.789 175.510 0.010 0.000 1.218 271 N CA -0.243 52.813 53.050 0.009 0.000 0.889 271 N CB 0.777 39.270 38.487 0.009 0.000 1.083 271 N HN -0.030 nan 8.380 nan 0.000 0.520 272 S N 2.483 118.188 115.700 0.009 0.000 2.544 272 S HA 0.051 4.521 4.470 0.000 0.000 0.290 272 S C -1.184 173.421 174.600 0.009 0.000 1.276 272 S CA -1.249 56.956 58.200 0.008 0.000 1.075 272 S CB 0.644 63.846 63.200 0.004 0.000 0.849 272 S HN 0.189 nan 8.310 nan 0.000 0.494 273 P HA -0.112 nan 4.420 nan 0.000 0.223 273 P C 1.275 178.578 177.300 0.005 0.000 1.144 273 P CA 0.554 63.662 63.100 0.014 0.000 0.783 273 P CB 0.090 31.804 31.700 0.023 0.000 0.771 274 L N -0.942 120.280 121.223 -0.002 0.000 2.191 274 L HA -0.063 4.277 4.340 0.000 0.000 0.212 274 L C 1.942 178.809 176.870 -0.006 0.000 1.103 274 L CA 1.235 56.068 54.840 -0.013 0.000 0.769 274 L CB -1.190 40.858 42.059 -0.018 0.000 0.908 274 L HN -0.012 nan 8.230 nan 0.000 0.438 275 L N 0.426 121.651 121.223 0.003 0.000 2.583 275 L HA 0.046 4.386 4.340 0.000 0.000 0.239 275 L C -0.010 176.867 176.870 0.011 0.000 1.347 275 L CA -0.264 54.581 54.840 0.008 0.000 1.246 275 L CB -0.397 41.668 42.059 0.011 0.000 1.496 275 L HN 0.056 nan 8.230 nan 0.000 0.413 276 D N 1.661 122.066 120.400 0.009 0.000 2.498 276 D HA 0.285 4.925 4.640 0.000 0.000 0.229 276 D C -0.630 175.683 176.300 0.020 0.000 1.188 276 D CA 0.401 54.409 54.000 0.014 0.000 1.028 276 D CB 0.262 41.068 40.800 0.010 0.000 1.087 276 D HN 0.060 nan 8.370 nan 0.000 0.510 277 V N 2.378 122.304 119.914 0.020 0.000 3.062 277 V HA 0.126 4.246 4.120 0.000 0.000 0.261 277 V C -1.672 174.433 176.094 0.019 0.000 1.772 277 V CA -1.109 61.205 62.300 0.023 0.000 0.967 277 V CB 1.960 33.800 31.823 0.028 0.000 1.331 277 V HN 0.230 nan 8.190 nan 0.000 0.459 278 D N 3.312 123.722 120.400 0.017 0.000 2.389 278 D HA 0.364 5.004 4.640 0.000 0.000 0.247 278 D C 0.855 177.163 176.300 0.013 0.000 1.128 278 D CA 0.419 54.428 54.000 0.014 0.000 0.884 278 D CB 1.292 42.099 40.800 0.012 0.000 1.194 278 D HN 0.744 nan 8.370 nan 0.000 0.441 279 I N -0.276 120.301 120.570 0.011 0.000 3.947 279 I HA 0.208 4.378 4.170 0.000 0.000 0.327 279 I C 0.814 176.936 176.117 0.009 0.000 1.519 279 I CA -0.470 60.837 61.300 0.011 0.000 1.122 279 I CB 0.372 38.380 38.000 0.013 0.000 1.146 279 I HN 0.073 nan 8.210 nan 0.000 0.442 280 D N 2.045 122.449 120.400 0.007 0.000 2.182 280 D HA -0.137 4.503 4.640 0.000 0.000 0.201 280 D C 1.693 177.995 176.300 0.004 0.000 0.986 280 D CA 1.415 55.418 54.000 0.005 0.000 0.847 280 D CB -0.399 40.404 40.800 0.004 0.000 0.942 280 D HN 0.397 nan 8.370 nan 0.000 0.467 281 G N -0.588 108.215 108.800 0.004 0.000 3.959 281 G HA2 0.486 4.446 3.960 0.000 0.000 0.298 281 G HA3 0.486 4.446 3.960 0.000 0.000 0.298 281 G C 0.150 175.053 174.900 0.004 0.000 1.211 281 G CA -0.146 44.955 45.100 0.003 0.000 1.001 281 G HN 0.497 nan 8.290 nan 0.000 0.561 282 A N -0.317 122.507 122.820 0.007 0.000 2.511 282 A HA 0.454 4.774 4.320 0.000 0.000 0.242 282 A C 1.393 178.982 177.584 0.007 0.000 1.069 282 A CA 0.657 52.699 52.037 0.009 0.000 0.763 282 A CB 0.613 19.620 19.000 0.012 0.000 1.001 282 A HN 0.200 nan 8.150 nan 0.000 0.498 283 T N 1.243 115.801 114.554 0.006 0.000 3.031 283 T HA 0.397 4.747 4.350 0.000 0.000 0.254 283 T C 0.833 175.537 174.700 0.007 0.000 1.060 283 T CA 1.339 63.441 62.100 0.004 0.000 1.135 283 T CB -0.139 68.729 68.868 -0.001 0.000 0.896 283 T HN 1.211 nan 8.240 nan 0.000 0.472 284 G N -0.393 108.414 108.800 0.011 0.000 2.649 284 G HA2 0.704 4.664 3.960 0.000 0.000 0.290 284 G HA3 0.704 4.664 3.960 0.000 0.000 0.290 284 G C -1.902 173.013 174.900 0.025 0.000 1.426 284 G CA -0.045 45.064 45.100 0.016 0.000 0.794 284 G HN 0.402 nan 8.290 nan 0.000 0.483 285 A N -0.696 122.145 122.820 0.036 0.000 2.612 285 A HA 0.793 5.113 4.320 0.000 0.000 0.293 285 A C -1.858 175.763 177.584 0.062 0.000 1.075 285 A CA -0.521 51.545 52.037 0.048 0.000 0.680 285 A CB 1.346 20.377 19.000 0.050 0.000 1.279 285 A HN 0.998 nan 8.150 nan 0.000 0.411 286 L N 1.820 123.084 121.223 0.068 0.000 2.406 286 L HA 0.559 4.899 4.340 0.000 0.000 0.270 286 L C -1.084 175.847 176.870 0.101 0.000 0.982 286 L CA -0.022 54.865 54.840 0.079 0.000 0.843 286 L CB 1.538 43.639 42.059 0.069 0.000 1.225 286 L HN 0.621 nan 8.230 nan 0.000 0.412 287 I N 2.221 122.871 120.570 0.134 0.000 2.404 287 I HA 0.343 4.513 4.170 0.000 0.000 0.293 287 I C -0.493 175.744 176.117 0.201 0.000 0.992 287 I CA -0.521 60.870 61.300 0.152 0.000 1.149 287 I CB 1.750 39.840 38.000 0.150 0.000 1.315 287 I HN 0.614 nan 8.210 nan 0.000 0.446 288 H N 5.881 124.988 119.070 0.062 0.000 2.953 288 H HA 0.431 4.987 4.556 0.000 0.000 0.290 288 H C -1.603 173.750 175.328 0.041 0.000 1.113 288 H CA -0.679 55.399 56.048 0.051 0.000 1.454 288 H CB 1.804 31.584 29.762 0.030 0.000 1.525 288 H HN 0.425 nan 8.280 nan 0.000 0.505 289 V N 7.360 127.438 119.914 0.273 0.000 2.406 289 V HA 0.363 4.483 4.120 0.000 0.000 0.272 289 V C -0.529 175.634 176.094 0.115 0.000 1.043 289 V CA -0.089 62.287 62.300 0.126 0.000 0.915 289 V CB 0.695 32.579 31.823 0.101 0.000 0.988 289 V HN 0.776 nan 8.190 nan 0.000 0.466 290 M N 6.202 125.795 119.600 -0.011 0.000 2.664 290 M HA 0.921 5.401 4.480 0.000 0.000 0.314 290 M C 0.228 176.522 176.300 -0.010 0.000 1.200 290 M CA -0.170 55.112 55.300 -0.030 0.000 0.916 290 M CB 2.296 34.802 32.600 -0.157 0.000 1.717 290 M HN 0.809 nan 8.290 nan 0.000 0.470 291 G N 0.439 109.240 108.800 0.002 0.000 2.430 291 G HA2 0.556 4.516 3.960 0.000 0.000 0.300 291 G HA3 0.556 4.516 3.960 0.000 0.000 0.300 291 G C -3.429 171.475 174.900 0.007 0.000 1.330 291 G CA -0.792 44.309 45.100 0.003 0.000 0.813 291 G HN 0.404 nan 8.290 nan 0.000 0.487 292 P HA 0.224 nan 4.420 nan 0.000 0.275 292 P C 0.392 177.698 177.300 0.011 0.000 1.266 292 P CA -0.027 63.077 63.100 0.007 0.000 0.793 292 P CB 1.536 33.239 31.700 0.005 0.000 1.074 293 E N 1.031 121.237 120.200 0.010 0.000 2.187 293 E HA -0.244 4.106 4.350 0.000 0.000 0.199 293 E C 0.790 177.398 176.600 0.013 0.000 1.004 293 E CA 2.163 58.570 56.400 0.012 0.000 0.813 293 E CB -1.058 28.648 29.700 0.009 0.000 0.736 293 E HN 0.500 nan 8.360 nan 0.000 0.468 294 D N -0.403 120.004 120.400 0.011 0.000 2.344 294 D HA -0.007 4.633 4.640 0.000 0.000 0.242 294 D C 0.165 176.473 176.300 0.014 0.000 1.159 294 D CA -0.263 53.743 54.000 0.011 0.000 0.859 294 D CB -0.423 40.382 40.800 0.009 0.000 0.925 294 D HN 0.176 nan 8.370 nan 0.000 0.510 295 L N 1.650 122.884 121.223 0.017 0.000 2.453 295 L HA 0.336 4.676 4.340 0.000 0.000 0.272 295 L C 0.119 177.003 176.870 0.023 0.000 1.182 295 L CA 0.298 55.150 54.840 0.021 0.000 0.858 295 L CB 0.784 42.860 42.059 0.028 0.000 1.120 295 L HN 0.245 nan 8.230 nan 0.000 0.474 296 T N 1.921 116.488 114.554 0.022 0.000 2.908 296 T HA 0.397 4.747 4.350 0.000 0.000 0.290 296 T C 1.243 175.958 174.700 0.027 0.000 1.034 296 T CA -0.842 61.271 62.100 0.022 0.000 1.010 296 T CB 0.924 69.801 68.868 0.016 0.000 1.068 296 T HN 0.589 nan 8.240 nan 0.000 0.481 297 L N 0.676 121.916 121.223 0.028 0.000 2.187 297 L HA -0.094 4.246 4.340 0.000 0.000 0.213 297 L C 2.762 179.645 176.870 0.022 0.000 1.100 297 L CA 1.247 56.106 54.840 0.033 0.000 0.765 297 L CB -0.420 41.659 42.059 0.033 0.000 0.904 297 L HN 0.725 nan 8.230 nan 0.000 0.437 298 E N 0.154 120.363 120.200 0.015 0.000 2.047 298 E HA -0.202 4.148 4.350 0.000 0.000 0.191 298 E C 2.033 178.635 176.600 0.003 0.000 0.987 298 E CA 1.061 57.464 56.400 0.006 0.000 0.799 298 E CB -0.081 29.622 29.700 0.005 0.000 0.752 298 E HN 0.543 nan 8.360 nan 0.000 0.449 299 E N 0.919 121.124 120.200 0.009 0.000 2.023 299 E HA -0.191 4.159 4.350 0.000 0.000 0.196 299 E C 2.077 178.682 176.600 0.009 0.000 1.003 299 E CA 1.280 57.685 56.400 0.008 0.000 0.809 299 E CB -0.189 29.519 29.700 0.014 0.000 0.755 299 E HN 0.217 nan 8.360 nan 0.000 0.449 300 A N 1.303 124.136 122.820 0.022 0.000 1.884 300 A HA -0.320 4.000 4.320 0.000 0.000 0.219 300 A C 2.114 179.696 177.584 -0.004 0.000 1.197 300 A CA 2.221 54.279 52.037 0.034 0.000 0.637 300 A CB -0.651 18.388 19.000 0.065 0.000 0.827 300 A HN 0.066 nan 8.150 nan 0.000 0.450 301 R N -0.222 120.268 120.500 -0.016 0.000 2.096 301 R HA -0.210 4.130 4.340 0.000 0.000 0.240 301 R C 2.137 178.399 176.300 -0.065 0.000 1.139 301 R CA 2.152 58.217 56.100 -0.058 0.000 0.952 301 R CB -0.522 29.757 30.300 -0.034 0.000 0.854 301 R HN 0.649 nan 8.270 nan 0.000 0.436 302 E N -0.437 119.742 120.200 -0.034 0.000 2.049 302 E HA -0.163 4.187 4.350 0.000 0.000 0.198 302 E C 1.807 178.387 176.600 -0.033 0.000 1.007 302 E CA 2.074 58.457 56.400 -0.029 0.000 0.809 302 E CB -0.424 29.267 29.700 -0.014 0.000 0.749 302 E HN 0.162 nan 8.360 nan 0.000 0.450 303 V N -0.024 119.875 119.914 -0.025 0.000 2.219 303 V HA -0.314 3.806 4.120 0.000 0.000 0.248 303 V C 2.513 178.581 176.094 -0.043 0.000 1.053 303 V CA 1.905 64.194 62.300 -0.018 0.000 1.009 303 V CB -0.804 31.021 31.823 0.005 0.000 0.636 303 V HN 0.236 nan 8.190 nan 0.000 0.445 304 V N 0.292 120.155 119.914 -0.085 0.000 2.252 304 V HA -0.350 3.770 4.120 0.000 0.000 0.249 304 V C 2.746 178.758 176.094 -0.137 0.000 1.056 304 V CA 2.358 64.561 62.300 -0.162 0.000 1.022 304 V CB -1.391 30.190 31.823 -0.403 0.000 0.641 304 V HN 0.600 nan 8.190 nan 0.000 0.445 305 A N -0.288 122.458 122.820 -0.124 0.000 1.903 305 A HA -0.307 4.013 4.320 0.000 0.000 0.219 305 A C 2.390 179.941 177.584 -0.056 0.000 1.191 305 A CA 2.954 54.939 52.037 -0.088 0.000 0.638 305 A CB -1.204 17.756 19.000 -0.068 0.000 0.823 305 A HN 0.548 nan 8.150 nan 0.000 0.451 306 T N -0.429 114.099 114.554 -0.043 0.000 2.652 306 T HA -0.137 4.213 4.350 0.000 0.000 0.267 306 T C 1.875 176.562 174.700 -0.022 0.000 1.039 306 T CA 1.669 63.753 62.100 -0.026 0.000 1.153 306 T CB -0.626 68.231 68.868 -0.018 0.000 0.863 306 T HN 0.150 nan 8.240 nan 0.000 0.428 307 V N 1.331 121.231 119.914 -0.022 0.000 2.392 307 V HA -0.191 3.929 4.120 0.000 0.000 0.249 307 V C 2.742 178.828 176.094 -0.014 0.000 1.059 307 V CA 1.956 64.249 62.300 -0.011 0.000 1.051 307 V CB -0.842 30.979 31.823 -0.003 0.000 0.658 307 V HN 0.513 nan 8.190 nan 0.000 0.455 308 S N 0.892 116.573 115.700 -0.030 0.000 2.359 308 S HA -0.211 4.260 4.470 0.000 0.000 0.224 308 S C 2.123 176.712 174.600 -0.017 0.000 1.035 308 S CA 2.090 60.273 58.200 -0.028 0.000 1.018 308 S CB -0.428 62.740 63.200 -0.052 0.000 0.876 308 S HN 0.826 nan 8.310 nan 0.000 0.448 309 S N 0.636 116.324 115.700 -0.019 0.000 2.595 309 S HA 0.111 4.581 4.470 0.000 0.000 0.235 309 S C 1.493 176.088 174.600 -0.007 0.000 0.974 309 S CA 0.113 58.305 58.200 -0.013 0.000 0.942 309 S CB -0.265 62.927 63.200 -0.014 0.000 0.766 309 S HN 0.411 nan 8.310 nan 0.000 0.536 310 R N 0.402 120.899 120.500 -0.005 0.000 2.225 310 R HA 0.445 4.785 4.340 0.000 0.000 0.194 310 R C 0.867 177.168 176.300 0.002 0.000 0.957 310 R CA 0.120 56.219 56.100 -0.001 0.000 1.042 310 R CB -0.541 29.759 30.300 0.001 0.000 1.004 310 R HN 0.428 nan 8.270 nan 0.000 0.509 311 L N 0.718 121.942 121.223 0.003 0.000 2.567 311 L HA 0.261 4.601 4.340 0.000 0.000 0.238 311 L C 0.447 177.320 176.870 0.004 0.000 1.168 311 L CA -0.981 53.862 54.840 0.005 0.000 0.817 311 L CB 0.044 42.109 42.059 0.009 0.000 1.409 311 L HN -0.071 nan 8.230 nan 0.000 0.502 312 D N 0.966 121.369 120.400 0.004 0.000 2.488 312 D HA -0.013 4.627 4.640 0.000 0.000 0.238 312 D C -1.460 174.842 176.300 0.003 0.000 1.138 312 D CA -0.945 53.057 54.000 0.003 0.000 0.873 312 D CB 0.805 41.606 40.800 0.003 0.000 1.183 312 D HN 0.244 nan 8.370 nan 0.000 0.458 313 P HA -0.174 nan 4.420 nan 0.000 0.224 313 P C -0.127 177.174 177.300 0.003 0.000 1.142 313 P CA 1.265 64.366 63.100 0.001 0.000 0.778 313 P CB 0.116 31.815 31.700 -0.000 0.000 0.764 314 N N -1.089 117.613 118.700 0.004 0.000 2.235 314 N HA 0.261 5.001 4.740 0.000 0.000 0.231 314 N C 0.038 175.553 175.510 0.008 0.000 1.177 314 N CA -0.453 52.600 53.050 0.006 0.000 0.874 314 N CB 0.436 38.925 38.487 0.003 0.000 1.097 314 N HN 0.039 nan 8.380 nan 0.000 0.518 315 A N 1.189 124.015 122.820 0.010 0.000 2.498 315 A HA 0.165 4.485 4.320 0.000 0.000 0.239 315 A C 0.719 178.316 177.584 0.022 0.000 1.068 315 A CA 0.048 52.093 52.037 0.013 0.000 0.766 315 A CB 0.032 19.041 19.000 0.014 0.000 1.003 315 A HN 0.258 nan 8.150 nan 0.000 0.497 316 T N 0.936 115.502 114.554 0.020 0.000 2.761 316 T HA 0.579 4.929 4.350 0.000 0.000 0.296 316 T C -0.265 174.462 174.700 0.045 0.000 0.934 316 T CA -0.202 61.914 62.100 0.027 0.000 1.091 316 T CB -0.320 68.553 68.868 0.009 0.000 0.896 316 T HN 0.361 nan 8.240 nan 0.000 0.515 317 I N 4.392 125.012 120.570 0.084 0.000 2.433 317 I HA 0.413 4.583 4.170 0.000 0.000 0.292 317 I C -0.306 175.914 176.117 0.173 0.000 1.001 317 I CA -1.290 60.091 61.300 0.136 0.000 1.119 317 I CB 1.740 39.841 38.000 0.168 0.000 1.289 317 I HN 0.457 nan 8.210 nan 0.000 0.438 318 I N 7.178 127.812 120.570 0.106 0.000 2.354 318 I HA 0.350 4.520 4.170 0.000 0.000 0.292 318 I C -0.793 175.355 176.117 0.051 0.000 0.989 318 I CA -0.660 60.625 61.300 -0.024 0.000 1.188 318 I CB 1.019 38.990 38.000 -0.047 0.000 1.342 318 I HN 0.468 nan 8.210 nan 0.000 0.457 319 Y N 3.347 123.644 120.300 -0.006 0.000 2.504 319 Y HA 0.888 5.438 4.550 0.000 0.000 0.344 319 Y C -0.212 175.678 175.900 -0.016 0.000 1.023 319 Y CA -1.230 56.870 58.100 0.001 0.000 1.020 319 Y CB 1.521 39.988 38.460 0.013 0.000 1.282 319 Y HN 0.609 nan 8.280 nan 0.000 0.454 320 G N 0.358 109.193 108.800 0.059 0.000 2.680 320 G HA2 0.781 4.741 3.960 0.000 0.000 0.290 320 G HA3 0.781 4.741 3.960 0.000 0.000 0.290 320 G C -1.938 173.021 174.900 0.097 0.000 1.355 320 G CA -0.894 44.195 45.100 -0.019 0.000 0.903 320 G HN 1.261 nan 8.290 nan 0.000 0.474 321 A N 0.506 123.377 122.820 0.086 0.000 2.499 321 A HA 0.776 5.096 4.320 0.000 0.000 0.280 321 A C 0.039 177.696 177.584 0.122 0.000 1.135 321 A CA -0.019 52.104 52.037 0.143 0.000 0.744 321 A CB 0.831 19.901 19.000 0.116 0.000 1.213 321 A HN 1.513 nan 8.150 nan 0.000 0.434 322 T N -0.558 114.113 114.554 0.195 0.000 2.949 322 T HA 0.806 5.156 4.350 0.000 0.000 0.287 322 T C -0.202 174.556 174.700 0.098 0.000 1.034 322 T CA -0.714 61.475 62.100 0.149 0.000 1.018 322 T CB 1.071 70.073 68.868 0.223 0.000 1.135 322 T HN 0.395 nan 8.240 nan 0.000 0.532 323 I N 1.436 122.045 120.570 0.065 0.000 2.330 323 I HA 0.288 4.458 4.170 0.000 0.000 0.289 323 I C -0.546 175.588 176.117 0.029 0.000 1.001 323 I CA -0.703 60.620 61.300 0.038 0.000 1.193 323 I CB 1.400 39.418 38.000 0.029 0.000 1.345 323 I HN 0.735 nan 8.210 nan 0.000 0.461 324 D N 5.111 125.519 120.400 0.013 0.000 2.339 324 D HA 0.044 4.684 4.640 0.000 0.000 0.241 324 D C 1.144 177.445 176.300 0.002 0.000 1.183 324 D CA -0.025 53.976 54.000 0.002 0.000 0.859 324 D CB 1.027 41.817 40.800 -0.017 0.000 1.067 324 D HN 0.533 nan 8.370 nan 0.000 0.484 325 E N 3.695 123.897 120.200 0.004 0.000 2.240 325 E HA -0.344 4.006 4.350 0.000 0.000 0.236 325 E C -0.321 176.279 176.600 0.000 0.000 1.085 325 E CA 2.155 58.556 56.400 0.002 0.000 0.979 325 E CB -0.235 29.466 29.700 0.001 0.000 0.845 325 E HN 0.673 nan 8.360 nan 0.000 0.483 326 N N -0.093 118.605 118.700 -0.003 0.000 2.707 326 N HA 0.402 5.142 4.740 0.000 0.000 0.235 326 N C -1.326 174.180 175.510 -0.006 0.000 1.028 326 N CA -0.326 52.722 53.050 -0.004 0.000 0.906 326 N CB 1.396 39.880 38.487 -0.005 0.000 1.131 326 N HN 0.137 nan 8.380 nan 0.000 0.509 327 L N 1.452 122.673 121.223 -0.004 0.000 2.392 327 L HA 0.233 4.573 4.340 0.000 0.000 0.262 327 L C 0.735 177.603 176.870 -0.002 0.000 1.498 327 L CA -0.137 54.699 54.840 -0.006 0.000 0.820 327 L CB 0.657 42.711 42.059 -0.009 0.000 0.990 327 L HN 0.333 nan 8.230 nan 0.000 0.520 328 E N 1.499 121.698 120.200 -0.002 0.000 2.081 328 E HA -0.252 4.098 4.350 0.000 0.000 0.235 328 E C 0.244 176.844 176.600 0.001 0.000 1.043 328 E CA 2.412 58.812 56.400 -0.000 0.000 0.924 328 E CB -0.075 29.625 29.700 -0.000 0.000 0.821 328 E HN 0.792 nan 8.360 nan 0.000 0.517 329 N N -0.719 117.981 118.700 -0.000 0.000 2.664 329 N HA 0.212 4.952 4.740 0.000 0.000 0.287 329 N C -1.404 174.106 175.510 -0.000 0.000 1.869 329 N CA -0.193 52.858 53.050 0.001 0.000 0.832 329 N CB 1.103 39.591 38.487 0.001 0.000 1.293 329 N HN -0.166 nan 8.380 nan 0.000 0.498 330 T N -0.065 114.487 114.554 -0.002 0.000 2.886 330 T HA 0.549 4.899 4.350 0.000 0.000 0.292 330 T C -0.606 174.091 174.700 -0.006 0.000 1.012 330 T CA -0.804 61.293 62.100 -0.004 0.000 0.982 330 T CB 2.022 70.886 68.868 -0.007 0.000 1.018 330 T HN 0.213 nan 8.240 nan 0.000 0.451 331 V N 1.490 121.400 119.914 -0.006 0.000 2.384 331 V HA 0.735 4.855 4.120 0.000 0.000 0.287 331 V C -0.099 175.986 176.094 -0.014 0.000 1.020 331 V CA -1.068 61.228 62.300 -0.007 0.000 0.850 331 V CB 1.261 33.084 31.823 0.001 0.000 0.987 331 V HN 0.861 nan 8.190 nan 0.000 0.436 332 R N 3.391 123.874 120.500 -0.028 0.000 2.540 332 R HA 0.854 5.194 4.340 0.000 0.000 0.287 332 R C -1.629 174.646 176.300 -0.043 0.000 0.980 332 R CA -0.566 55.510 56.100 -0.039 0.000 0.966 332 R CB 2.083 32.347 30.300 -0.060 0.000 1.106 332 R HN 0.688 nan 8.270 nan 0.000 0.480 333 V N 5.317 125.212 119.914 -0.032 0.000 2.525 333 V HA 0.298 4.418 4.120 0.000 0.000 0.299 333 V C -1.132 174.954 176.094 -0.013 0.000 1.034 333 V CA -0.906 61.385 62.300 -0.015 0.000 0.863 333 V CB 1.618 33.445 31.823 0.006 0.000 0.999 333 V HN 0.609 nan 8.190 nan 0.000 0.423 334 L N 6.647 127.866 121.223 -0.006 0.000 2.282 334 L HA 0.750 5.090 4.340 0.000 0.000 0.288 334 L C -1.184 175.714 176.870 0.047 0.000 1.033 334 L CA -0.159 54.687 54.840 0.010 0.000 0.807 334 L CB 1.299 43.358 42.059 0.000 0.000 1.209 334 L HN 0.502 nan 8.230 nan 0.000 0.423 335 L N 5.887 127.132 121.223 0.036 0.000 2.356 335 L HA 0.603 4.943 4.340 0.000 0.000 0.277 335 L C -0.750 176.146 176.870 0.042 0.000 0.996 335 L CA -0.249 54.617 54.840 0.043 0.000 0.822 335 L CB 2.147 44.225 42.059 0.031 0.000 1.256 335 L HN 0.409 nan 8.230 nan 0.000 0.413 336 V N 5.268 125.212 119.914 0.052 0.000 2.327 336 V HA 0.372 4.492 4.120 0.000 0.000 0.272 336 V C -0.195 175.926 176.094 0.045 0.000 1.019 336 V CA -0.598 61.732 62.300 0.050 0.000 0.814 336 V CB 1.177 33.038 31.823 0.064 0.000 1.040 336 V HN 0.403 nan 8.190 nan 0.000 0.440 337 I N 4.332 124.923 120.570 0.036 0.000 2.379 337 I HA 0.301 4.471 4.170 0.000 0.000 0.290 337 I C 1.029 177.164 176.117 0.030 0.000 1.063 337 I CA 0.501 61.819 61.300 0.031 0.000 1.351 337 I CB 1.187 39.202 38.000 0.026 0.000 1.410 337 I HN 0.698 nan 8.210 nan 0.000 0.505 338 T N 1.329 115.899 114.554 0.027 0.000 2.944 338 T HA 0.646 4.996 4.350 0.000 0.000 0.284 338 T C 0.733 175.442 174.700 0.015 0.000 1.010 338 T CA -0.066 62.047 62.100 0.021 0.000 1.025 338 T CB 1.724 70.602 68.868 0.016 0.000 1.079 338 T HN 1.098 nan 8.240 nan 0.000 0.516 339 G N 0.286 109.092 108.800 0.010 0.000 2.289 339 G HA2 -0.151 3.809 3.960 0.000 0.000 0.280 339 G HA3 -0.151 3.809 3.960 0.000 0.000 0.280 339 G C 0.334 175.238 174.900 0.006 0.000 1.089 339 G CA 0.341 45.443 45.100 0.003 0.000 0.939 339 G HN 1.944 nan 8.290 nan 0.000 0.499 340 V N -2.334 117.587 119.914 0.012 0.000 3.477 340 V HA 0.250 4.370 4.120 0.000 0.000 0.297 340 V C 2.086 178.188 176.094 0.013 0.000 1.433 340 V CA 1.160 63.469 62.300 0.015 0.000 1.052 340 V CB 0.707 32.545 31.823 0.025 0.000 0.895 340 V HN 0.597 nan 8.190 nan 0.000 0.438 341 Q N 2.830 122.631 119.800 0.002 0.000 2.376 341 Q HA -0.200 4.140 4.340 0.000 0.000 0.211 341 Q C 1.881 177.857 176.000 -0.040 0.000 0.986 341 Q CA 2.253 58.042 55.803 -0.023 0.000 0.886 341 Q CB -0.960 27.743 28.738 -0.057 0.000 0.927 341 Q HN 0.865 nan 8.270 nan 0.000 0.457 342 S N -0.378 115.306 115.700 -0.025 0.000 2.562 342 S HA 0.130 4.600 4.470 0.000 0.000 0.221 342 S C 1.397 175.989 174.600 -0.013 0.000 0.975 342 S CA -0.230 57.955 58.200 -0.027 0.000 0.918 342 S CB 0.265 63.453 63.200 -0.021 0.000 0.772 342 S HN 0.220 nan 8.310 nan 0.000 0.531 343 R N -0.207 120.293 120.500 -0.000 0.000 2.476 343 R HA 0.493 4.833 4.340 0.000 0.000 0.276 343 R C -0.844 175.472 176.300 0.026 0.000 0.941 343 R CA -0.205 55.902 56.100 0.011 0.000 1.088 343 R CB -0.153 30.155 30.300 0.014 0.000 1.216 343 R HN 0.369 nan 8.270 nan 0.000 0.533 344 I N 0.474 121.065 120.570 0.035 0.000 2.603 344 I HA 0.292 4.462 4.170 0.000 0.000 0.300 344 I C -0.258 175.905 176.117 0.077 0.000 1.017 344 I CA -1.527 59.822 61.300 0.080 0.000 1.098 344 I CB 2.216 40.303 38.000 0.144 0.000 1.279 344 I HN -0.080 nan 8.210 nan 0.000 0.437 345 E N 4.447 124.727 120.200 0.133 0.000 2.224 345 E HA 0.426 4.776 4.350 0.000 0.000 0.265 345 E C -1.510 175.277 176.600 0.311 0.000 0.878 345 E CA -0.576 55.902 56.400 0.130 0.000 0.759 345 E CB 1.012 30.755 29.700 0.072 0.000 1.164 345 E HN 0.190 nan 8.360 nan 0.000 0.414 346 F N 2.026 121.972 119.950 -0.007 0.000 2.429 346 F HA 0.353 4.880 4.527 0.000 0.000 0.348 346 F C 0.645 176.443 175.800 -0.004 0.000 1.109 346 F CA -0.236 57.760 58.000 -0.007 0.000 1.232 346 F CB 1.657 40.651 39.000 -0.010 0.000 1.157 346 F HN 0.300 nan 8.300 nan 0.000 0.564 347 T N 2.436 117.069 114.554 0.131 0.000 2.916 347 T HA 0.160 4.510 4.350 0.000 0.000 0.305 347 T C 0.436 175.152 174.700 0.026 0.000 1.119 347 T CA -0.604 61.538 62.100 0.069 0.000 1.008 347 T CB 1.967 70.863 68.868 0.048 0.000 1.129 347 T HN 0.361 nan 8.240 nan 0.000 0.480 348 D N 1.350 121.766 120.400 0.026 0.000 2.265 348 D HA -0.078 4.562 4.640 0.000 0.000 0.208 348 D C 2.012 178.312 176.300 -0.000 0.000 0.977 348 D CA 1.486 55.493 54.000 0.011 0.000 0.871 348 D CB 0.089 40.899 40.800 0.017 0.000 0.925 348 D HN 0.709 nan 8.370 nan 0.000 0.485 349 T N -3.188 111.368 114.554 0.003 0.000 3.086 349 T HA 0.477 4.827 4.350 0.000 0.000 0.250 349 T C 0.985 175.678 174.700 -0.012 0.000 1.074 349 T CA 0.235 62.336 62.100 0.002 0.000 0.988 349 T CB 1.148 70.024 68.868 0.013 0.000 0.988 349 T HN 0.229 nan 8.240 nan 0.000 0.530 350 G N 1.122 109.903 108.800 -0.031 0.000 2.325 350 G HA2 0.214 4.174 3.960 0.000 0.000 0.285 350 G HA3 0.214 4.174 3.960 0.000 0.000 0.285 350 G C -1.720 173.148 174.900 -0.054 0.000 1.303 350 G CA -1.097 43.966 45.100 -0.061 0.000 0.970 350 G HN 0.390 nan 8.290 nan 0.000 0.490 351 L N 0.897 122.085 121.223 -0.060 0.000 2.315 351 L HA 0.450 4.790 4.340 0.000 0.000 0.283 351 L C 0.757 177.647 176.870 0.033 0.000 1.089 351 L CA -0.129 54.708 54.840 -0.005 0.000 0.833 351 L CB 0.795 42.844 42.059 -0.016 0.000 1.170 351 L HN 0.340 nan 8.230 nan 0.000 0.442 352 K N 3.821 124.259 120.400 0.064 0.000 2.182 352 K HA 0.432 4.752 4.320 0.000 0.000 0.262 352 K C -0.437 176.196 176.600 0.056 0.000 0.957 352 K CA -0.895 55.422 56.287 0.051 0.000 0.842 352 K CB 1.578 34.107 32.500 0.048 0.000 1.099 352 K HN 0.499 nan 8.250 nan 0.000 0.438 353 R N 2.886 123.411 120.500 0.041 0.000 2.296 353 R HA 0.054 4.394 4.340 0.000 0.000 0.323 353 R C 0.302 176.621 176.300 0.030 0.000 1.067 353 R CA 0.102 56.224 56.100 0.036 0.000 0.946 353 R CB 0.752 31.069 30.300 0.028 0.000 0.991 353 R HN 0.435 nan 8.270 nan 0.000 0.448 354 K N 2.573 122.991 120.400 0.029 0.000 2.318 354 K HA 0.237 4.557 4.320 0.000 0.000 0.243 354 K C -0.267 176.341 176.600 0.014 0.000 1.047 354 K CA -0.126 56.172 56.287 0.019 0.000 0.937 354 K CB 0.706 33.214 32.500 0.013 0.000 1.225 354 K HN 0.371 nan 8.250 nan 0.000 0.506 355 K N 0.000 120.405 120.400 0.008 0.000 2.780 355 K HA 0.000 4.320 4.320 0.000 0.000 0.191 355 K CA 0.000 56.291 56.287 0.006 0.000 0.838 355 K CB 0.000 32.504 32.500 0.007 0.000 1.064 355 K HN 0.000 nan 8.250 nan 0.000 0.543