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 3c4x_1_B DATA FIRST_RESID 31 DATA SEQUENCE RDRKYLARLK LPPLSKCEAL RESLDLGFEG MCLEQPIGKR LFQQFLRTHE DATA SEQUENCE QHGPALQLWK DIEDYDTADD ALRPQKAQAL RAAYLEPQAQ LFCSFLDAET DATA SEQUENCE VARAXXXXXX XXFQPLLRAV LAHLGQAPFQ EFLDSLYFLR FLQWKWLEAQ DATA SEQUENCE PMGEDWFLDF RVLGRGGFGE VFACQMKATG KLYACKKLNK KRLKKRKGYQ DATA SEQUENCE GAMVEKKILA KVHSRFIVSL AYAFETKTDL CLVMTIMNGG DIRYHIYNVD DATA SEQUENCE EDNPGFQEPR AIFYTAQIVS GLEHLHQRNI IYRDLKPENV LLDDDGNVRI DATA SEQUENCE SDLGLAVELK AGQTKTKGYA GTPGFMAPEL LLGEEYDFSV DYFALGVTLY DATA SEQUENCE EMIAARGPFR ARGEKVENKE LKQRVLEQAV TYPDKFSPAS KDFCEALLQK DATA SEQUENCE DPEKRLGFRD GSCDGLRTHP LFRDISWRQL EAGMLTPPFV PDSRTXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXEKADT EFFQEFASGT CPIPWQEEMI ETGVFGDLNV DATA SEQUENCE WRP 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 31 R HA 0.000 nan 4.340 nan 0.000 0.208 31 R C 0.000 176.288 176.300 -0.021 0.000 0.893 31 R CA 0.000 56.086 56.100 -0.023 0.000 0.921 31 R CB 0.000 30.300 30.300 0.000 0.000 0.687 32 D N -0.494 119.902 120.400 -0.007 0.000 2.780 32 D HA 0.377 5.016 4.640 -0.002 0.000 0.242 32 D C 0.288 176.588 176.300 -0.000 0.000 1.135 32 D CA -0.631 53.372 54.000 0.005 0.000 0.859 32 D CB 2.412 43.242 40.800 0.049 0.000 1.530 32 D HN 0.550 nan 8.370 nan 0.000 0.493 33 R N 2.099 122.585 120.500 -0.023 0.000 2.062 33 R HA -0.075 4.264 4.340 -0.002 0.000 0.231 33 R C 1.973 178.220 176.300 -0.089 0.000 1.136 33 R CA 0.871 56.946 56.100 -0.042 0.000 0.948 33 R CB 0.003 30.276 30.300 -0.045 0.000 0.845 33 R HN 0.385 nan 8.270 nan 0.000 0.430 34 K N 0.297 120.609 120.400 -0.147 0.000 2.089 34 K HA -0.228 4.091 4.320 -0.002 0.000 0.210 34 K C 1.702 178.026 176.600 -0.460 0.000 1.048 34 K CA 1.772 57.874 56.287 -0.307 0.000 0.926 34 K CB -0.100 32.159 32.500 -0.402 0.000 0.714 34 K HN 0.208 nan 8.250 nan 0.000 0.448 35 Y N -0.171 119.940 120.300 -0.315 0.000 2.301 35 Y HA -0.091 4.458 4.550 -0.002 0.000 0.295 35 Y C 2.023 177.752 175.900 -0.285 0.000 1.119 35 Y CA 0.460 58.238 58.100 -0.537 0.000 1.162 35 Y CB -0.102 37.909 38.460 -0.747 0.000 1.046 35 Y HN 0.058 nan 8.280 nan 0.000 0.538 36 L N 0.546 121.778 121.223 0.014 0.000 2.127 36 L HA -0.164 4.175 4.340 -0.002 0.000 0.211 36 L C 2.274 179.182 176.870 0.064 0.000 1.089 36 L CA 1.890 56.776 54.840 0.076 0.000 0.757 36 L CB -0.988 41.105 42.059 0.057 0.000 0.899 36 L HN 0.155 nan 8.230 nan 0.000 0.434 37 A N -0.415 122.402 122.820 -0.006 0.000 1.978 37 A HA -0.217 4.102 4.320 -0.002 0.000 0.220 37 A C 2.369 179.971 177.584 0.030 0.000 1.170 37 A CA 1.737 53.768 52.037 -0.011 0.000 0.636 37 A CB -0.541 18.419 19.000 -0.066 0.000 0.810 37 A HN 0.549 nan 8.150 nan 0.000 0.448 38 R N -0.805 119.724 120.500 0.048 0.000 2.236 38 R HA 0.140 4.479 4.340 -0.002 0.000 0.208 38 R C -0.220 176.252 176.300 0.287 0.000 1.036 38 R CA 0.094 56.293 56.100 0.165 0.000 1.001 38 R CB -0.302 30.133 30.300 0.224 0.000 0.896 38 R HN 0.406 nan 8.270 nan 0.000 0.464 39 L N 2.199 123.594 121.223 0.286 0.000 2.401 39 L HA 0.157 4.496 4.340 -0.002 0.000 0.283 39 L C -0.301 176.663 176.870 0.158 0.000 1.151 39 L CA 0.341 55.354 54.840 0.288 0.000 0.942 39 L CB 0.109 42.360 42.059 0.321 0.000 1.283 39 L HN -0.104 nan 8.230 nan 0.000 0.442 40 K N 2.953 123.430 120.400 0.129 0.000 2.525 40 K HA 0.499 4.818 4.320 -0.002 0.000 0.254 40 K C -0.953 175.626 176.600 -0.035 0.000 0.934 40 K CA -0.631 55.669 56.287 0.022 0.000 0.802 40 K CB 2.490 35.002 32.500 0.020 0.000 1.295 40 K HN 0.304 nan 8.250 nan 0.000 0.433 41 L N 4.965 126.079 121.223 -0.182 0.000 2.453 41 L HA 0.238 4.577 4.340 -0.002 0.000 0.272 41 L C -1.667 175.033 176.870 -0.283 0.000 1.182 41 L CA -1.362 53.311 54.840 -0.279 0.000 0.858 41 L CB 0.012 41.848 42.059 -0.371 0.000 1.120 41 L HN 0.462 nan 8.230 nan 0.000 0.474 42 P HA 0.338 nan 4.420 nan 0.000 0.278 42 P C -2.652 174.365 177.300 -0.471 0.000 1.258 42 P CA -1.809 60.879 63.100 -0.686 0.000 0.811 42 P CB -0.019 30.780 31.700 -1.500 0.000 1.063 43 P HA 0.125 nan 4.420 nan 0.000 0.267 43 P C 1.152 178.270 177.300 -0.302 0.000 1.200 43 P CA 0.065 62.992 63.100 -0.289 0.000 0.772 43 P CB 0.304 31.863 31.700 -0.235 0.000 0.855 44 L N 1.494 122.593 121.223 -0.207 0.000 2.191 44 L HA -0.211 4.128 4.340 -0.002 0.000 0.212 44 L C 2.301 179.074 176.870 -0.162 0.000 1.103 44 L CA 1.955 56.690 54.840 -0.175 0.000 0.769 44 L CB -0.781 41.210 42.059 -0.113 0.000 0.908 44 L HN 0.466 nan 8.230 nan 0.000 0.438 45 S N -0.600 115.012 115.700 -0.147 0.000 2.419 45 S HA -0.185 4.284 4.470 -0.002 0.000 0.233 45 S C 1.812 176.340 174.600 -0.119 0.000 1.016 45 S CA 0.774 58.908 58.200 -0.110 0.000 0.974 45 S CB -0.288 62.859 63.200 -0.089 0.000 0.786 45 S HN 0.409 nan 8.310 nan 0.000 0.492 46 K N 0.034 120.311 120.400 -0.205 0.000 2.486 46 K HA 0.143 4.461 4.320 -0.002 0.000 0.194 46 K C 0.798 177.315 176.600 -0.139 0.000 1.033 46 K CA 0.677 56.839 56.287 -0.209 0.000 1.004 46 K CB -0.250 31.967 32.500 -0.472 0.000 0.798 46 K HN 0.473 nan 8.250 nan 0.000 0.495 47 C N 0.562 119.772 119.300 -0.149 0.000 2.855 47 C HA 0.159 4.618 4.460 -0.002 0.000 0.279 47 C C 1.589 176.565 174.990 -0.023 0.000 1.270 47 C CA -0.458 58.526 59.018 -0.057 0.000 1.702 47 C CB -0.600 27.066 27.740 -0.125 0.000 1.949 47 C HN 0.440 nan 8.230 nan 0.000 0.618 48 E N 1.820 122.008 120.200 -0.020 0.000 2.274 48 E HA -0.081 4.267 4.350 -0.002 0.000 0.194 48 E C 2.259 178.874 176.600 0.024 0.000 0.996 48 E CA 0.995 57.395 56.400 -0.001 0.000 0.840 48 E CB 0.026 29.723 29.700 -0.006 0.000 0.772 48 E HN 0.711 nan 8.360 nan 0.000 0.491 49 A N 1.128 123.972 122.820 0.040 0.000 1.858 49 A HA -0.160 4.158 4.320 -0.002 0.000 0.216 49 A C 2.126 179.738 177.584 0.048 0.000 1.190 49 A CA 1.025 53.091 52.037 0.047 0.000 0.617 49 A CB -0.538 18.500 19.000 0.063 0.000 0.827 49 A HN 0.150 nan 8.150 nan 0.000 0.443 50 L N -1.186 120.070 121.223 0.055 0.000 2.109 50 L HA -0.144 4.194 4.340 -0.002 0.000 0.207 50 L C 2.663 179.574 176.870 0.069 0.000 1.086 50 L CA 1.436 56.305 54.840 0.049 0.000 0.760 50 L CB -0.584 41.497 42.059 0.036 0.000 0.910 50 L HN 0.465 nan 8.230 nan 0.000 0.437 51 R N 1.508 122.042 120.500 0.057 0.000 2.136 51 R HA -0.251 4.088 4.340 -0.002 0.000 0.242 51 R C 1.644 178.029 176.300 0.142 0.000 1.131 51 R CA 2.132 58.295 56.100 0.106 0.000 0.937 51 R CB -0.315 30.028 30.300 0.071 0.000 0.863 51 R HN 0.361 nan 8.270 nan 0.000 0.435 52 E N -1.020 119.236 120.200 0.093 0.000 2.463 52 E HA 0.072 4.421 4.350 -0.002 0.000 0.193 52 E C -0.029 176.612 176.600 0.068 0.000 1.041 52 E CA 0.506 56.954 56.400 0.080 0.000 0.879 52 E CB 0.701 30.435 29.700 0.057 0.000 0.997 52 E HN 0.494 nan 8.360 nan 0.000 0.478 53 S N -0.378 115.365 115.700 0.071 0.000 2.941 53 S HA 0.314 4.783 4.470 -0.002 0.000 0.251 53 S C -0.037 174.602 174.600 0.064 0.000 1.029 53 S CA -0.543 57.689 58.200 0.055 0.000 1.062 53 S CB 0.249 63.471 63.200 0.036 0.000 0.977 53 S HN -0.003 nan 8.310 nan 0.000 0.552 54 L N 1.440 122.723 121.223 0.100 0.000 2.341 54 L HA 0.523 4.862 4.340 -0.002 0.000 0.267 54 L C -0.501 176.450 176.870 0.135 0.000 1.009 54 L CA -0.803 54.111 54.840 0.122 0.000 0.819 54 L CB 1.806 43.972 42.059 0.179 0.000 1.323 54 L HN 0.283 nan 8.230 nan 0.000 0.425 55 D N 2.492 122.966 120.400 0.123 0.000 2.346 55 D HA -0.004 4.635 4.640 -0.002 0.000 0.267 55 D C 0.550 176.943 176.300 0.156 0.000 1.320 55 D CA -0.295 53.770 54.000 0.108 0.000 0.951 55 D CB 1.078 41.921 40.800 0.071 0.000 1.079 55 D HN 0.278 nan 8.370 nan 0.000 0.509 56 L N 4.041 125.353 121.223 0.150 0.000 2.650 56 L HA 0.147 4.485 4.340 -0.002 0.000 0.235 56 L C 1.630 178.621 176.870 0.202 0.000 1.149 56 L CA 0.267 55.218 54.840 0.185 0.000 0.887 56 L CB -0.606 41.526 42.059 0.122 0.000 1.021 56 L HN 0.404 nan 8.230 nan 0.000 0.441 57 G N -1.677 107.179 108.800 0.094 0.000 2.380 57 G HA2 -0.048 3.910 3.960 -0.002 0.000 0.242 57 G HA3 -0.048 3.910 3.960 -0.002 0.000 0.242 57 G C 0.711 175.523 174.900 -0.148 0.000 1.298 57 G CA -0.331 44.768 45.100 -0.002 0.000 0.878 57 G HN 0.232 nan 8.290 nan 0.000 0.542 58 F N 1.488 121.099 119.950 -0.565 0.000 2.102 58 F HA -0.094 4.431 4.527 -0.003 0.000 0.298 58 F C 2.243 177.622 175.800 -0.702 0.000 1.105 58 F CA 2.192 59.504 58.000 -1.147 0.000 1.239 58 F CB -0.079 38.112 39.000 -1.349 0.000 0.991 58 F HN 0.644 nan 8.300 nan 0.000 0.474 59 E N -0.247 119.519 120.200 -0.722 0.000 2.051 59 E HA -0.132 4.217 4.350 -0.002 0.000 0.192 59 E C 2.485 178.775 176.600 -0.516 0.000 0.991 59 E CA 1.127 57.101 56.400 -0.709 0.000 0.799 59 E CB -0.747 28.739 29.700 -0.355 0.000 0.748 59 E HN 0.532 nan 8.360 nan 0.000 0.449 60 G N 0.819 109.422 108.800 -0.328 0.000 2.408 60 G HA2 -0.262 3.696 3.960 -0.002 0.000 0.217 60 G HA3 -0.262 3.696 3.960 -0.002 0.000 0.217 60 G C 1.481 176.262 174.900 -0.198 0.000 1.150 60 G CA 0.757 45.737 45.100 -0.200 0.000 0.776 60 G HN 0.221 nan 8.290 nan 0.000 0.542 61 M N -0.452 118.988 119.600 -0.266 0.000 2.191 61 M HA 0.029 4.508 4.480 -0.002 0.000 0.262 61 M C 2.119 178.170 176.300 -0.415 0.000 1.083 61 M CA 1.284 56.433 55.300 -0.251 0.000 1.154 61 M CB 0.128 32.633 32.600 -0.157 0.000 1.344 61 M HN 0.252 nan 8.290 nan 0.000 0.431 62 C N -0.301 118.623 119.300 -0.627 0.000 2.674 62 C HA 0.236 4.695 4.460 -0.002 0.000 0.276 62 C C 2.303 177.048 174.990 -0.408 0.000 1.300 62 C CA -0.215 58.416 59.018 -0.644 0.000 1.732 62 C CB -0.656 26.376 27.740 -1.180 0.000 2.076 62 C HN 0.547 nan 8.230 nan 0.000 0.548 63 L N 0.343 121.256 121.223 -0.517 0.000 2.262 63 L HA 0.126 4.464 4.340 -0.002 0.000 0.197 63 L C 2.428 179.215 176.870 -0.140 0.000 1.073 63 L CA 1.107 55.796 54.840 -0.253 0.000 0.800 63 L CB -0.821 40.999 42.059 -0.398 0.000 0.987 63 L HN 0.184 nan 8.230 nan 0.000 0.470 64 E N 0.239 120.326 120.200 -0.188 0.000 2.046 64 E HA -0.092 4.257 4.350 -0.002 0.000 0.190 64 E C 0.533 177.073 176.600 -0.099 0.000 0.982 64 E CA 0.585 56.915 56.400 -0.116 0.000 0.800 64 E CB 0.189 29.817 29.700 -0.119 0.000 0.756 64 E HN 0.372 nan 8.360 nan 0.000 0.449 65 Q N 0.911 120.657 119.800 -0.091 0.000 2.307 65 Q HA 0.051 4.390 4.340 -0.002 0.000 0.259 65 Q C -1.968 174.005 176.000 -0.045 0.000 0.998 65 Q CA -1.592 54.193 55.803 -0.031 0.000 0.923 65 Q CB 1.144 29.935 28.738 0.088 0.000 1.196 65 Q HN 0.028 nan 8.270 nan 0.000 0.416 66 P HA -0.198 nan 4.420 nan 0.000 0.218 66 P C 0.651 177.825 177.300 -0.211 0.000 1.148 66 P CA 1.339 64.354 63.100 -0.142 0.000 0.822 66 P CB 0.269 31.866 31.700 -0.172 0.000 0.784 67 I N -1.395 119.067 120.570 -0.182 0.000 2.400 67 I HA -0.050 4.118 4.170 -0.002 0.000 0.248 67 I C 2.452 178.623 176.117 0.089 0.000 1.109 67 I CA 1.259 62.410 61.300 -0.249 0.000 1.425 67 I CB -0.982 36.861 38.000 -0.263 0.000 1.094 67 I HN -0.020 nan 8.210 nan 0.000 0.425 68 G N 0.912 109.821 108.800 0.181 0.000 2.442 68 G HA2 -0.297 3.661 3.960 -0.002 0.000 0.219 68 G HA3 -0.297 3.661 3.960 -0.002 0.000 0.219 68 G C 1.692 176.549 174.900 -0.073 0.000 1.141 68 G CA 0.840 45.879 45.100 -0.101 0.000 0.763 68 G HN 0.280 nan 8.290 nan 0.000 0.554 69 K N -0.088 120.286 120.400 -0.044 0.000 2.025 69 K HA -0.045 4.273 4.320 -0.002 0.000 0.207 69 K C 2.744 179.381 176.600 0.061 0.000 1.049 69 K CA 0.621 56.925 56.287 0.029 0.000 0.933 69 K CB -0.089 32.401 32.500 -0.016 0.000 0.714 69 K HN -0.002 nan 8.250 nan 0.000 0.438 70 R N 0.772 121.267 120.500 -0.008 0.000 2.083 70 R HA -0.121 4.218 4.340 -0.002 0.000 0.237 70 R C 2.372 178.795 176.300 0.206 0.000 1.137 70 R CA 1.324 57.446 56.100 0.037 0.000 0.951 70 R CB -0.858 29.404 30.300 -0.064 0.000 0.851 70 R HN 0.311 nan 8.270 nan 0.000 0.434 71 L N -0.529 120.886 121.223 0.319 0.000 2.093 71 L HA -0.155 4.184 4.340 -0.002 0.000 0.208 71 L C 2.362 179.518 176.870 0.476 0.000 1.085 71 L CA 0.841 56.005 54.840 0.539 0.000 0.755 71 L CB -0.447 42.047 42.059 0.725 0.000 0.904 71 L HN 0.039 nan 8.230 nan 0.000 0.435 72 F N 0.847 120.789 119.950 -0.013 0.000 2.102 72 F HA -0.227 4.299 4.527 -0.003 0.000 0.298 72 F C 2.602 178.426 175.800 0.040 0.000 1.105 72 F CA 1.593 59.414 58.000 -0.299 0.000 1.239 72 F CB -0.321 38.439 39.000 -0.400 0.000 0.991 72 F HN 0.065 nan 8.300 nan 0.000 0.474 73 Q N -0.297 119.538 119.800 0.057 0.000 2.046 73 Q HA -0.243 4.095 4.340 -0.002 0.000 0.200 73 Q C 2.267 178.238 176.000 -0.049 0.000 0.975 73 Q CA 1.803 57.577 55.803 -0.048 0.000 0.836 73 Q CB -0.433 28.262 28.738 -0.072 0.000 0.896 73 Q HN 0.558 nan 8.270 nan 0.000 0.428 74 Q N -0.074 119.750 119.800 0.040 0.000 2.077 74 Q HA -0.219 4.119 4.340 -0.002 0.000 0.206 74 Q C 1.923 177.793 176.000 -0.217 0.000 0.989 74 Q CA 1.728 57.556 55.803 0.040 0.000 0.853 74 Q CB -0.277 28.622 28.738 0.268 0.000 0.907 74 Q HN 0.341 nan 8.270 nan 0.000 0.418 75 F N 0.967 120.547 119.950 -0.617 0.000 2.095 75 F HA -0.221 4.305 4.527 -0.003 0.000 0.298 75 F C 1.749 177.329 175.800 -0.367 0.000 1.104 75 F CA 1.286 58.759 58.000 -0.879 0.000 1.232 75 F CB -0.173 38.529 39.000 -0.497 0.000 0.987 75 F HN -0.033 nan 8.300 nan 0.000 0.475 76 L N 0.047 121.064 121.223 -0.344 0.000 1.994 76 L HA -0.212 4.126 4.340 -0.002 0.000 0.208 76 L C 2.664 179.412 176.870 -0.203 0.000 1.071 76 L CA 1.650 56.275 54.840 -0.357 0.000 0.745 76 L CB -0.803 41.078 42.059 -0.296 0.000 0.892 76 L HN 0.098 nan 8.230 nan 0.000 0.431 77 R N 0.226 120.646 120.500 -0.133 0.000 2.133 77 R HA -0.196 4.143 4.340 -0.002 0.000 0.247 77 R C 2.128 178.388 176.300 -0.067 0.000 1.151 77 R CA 2.392 58.454 56.100 -0.063 0.000 0.971 77 R CB -1.068 29.211 30.300 -0.035 0.000 0.866 77 R HN 0.223 nan 8.270 nan 0.000 0.447 78 T N -0.226 114.263 114.554 -0.108 0.000 2.720 78 T HA -0.118 4.231 4.350 -0.002 0.000 0.268 78 T C -0.088 174.529 174.700 -0.137 0.000 1.037 78 T CA 1.559 63.608 62.100 -0.085 0.000 1.144 78 T CB -0.325 68.515 68.868 -0.045 0.000 0.864 78 T HN 0.376 nan 8.240 nan 0.000 0.444 79 H N 1.325 120.204 119.070 -0.318 0.000 2.640 79 H HA 0.328 4.883 4.556 -0.003 0.000 0.297 79 H C 0.974 176.206 175.328 -0.159 0.000 1.073 79 H CA -0.463 55.439 56.048 -0.243 0.000 1.305 79 H CB 0.703 30.291 29.762 -0.290 0.000 1.404 79 H HN 0.303 nan 8.280 nan 0.000 0.459 80 E N 2.413 122.574 120.200 -0.066 0.000 2.106 80 E HA -0.218 4.131 4.350 -0.002 0.000 0.192 80 E C 1.650 178.223 176.600 -0.045 0.000 0.984 80 E CA 0.943 57.319 56.400 -0.040 0.000 0.806 80 E CB 0.207 29.882 29.700 -0.040 0.000 0.750 80 E HN 0.756 nan 8.360 nan 0.000 0.458 81 Q N 0.240 119.966 119.800 -0.122 0.000 2.173 81 Q HA -0.224 4.114 4.340 -0.002 0.000 0.208 81 Q C 1.305 177.204 176.000 -0.168 0.000 0.989 81 Q CA 1.676 57.369 55.803 -0.183 0.000 0.872 81 Q CB -0.426 28.123 28.738 -0.315 0.000 0.909 81 Q HN 0.412 nan 8.270 nan 0.000 0.420 82 H N -0.408 118.688 119.070 0.044 0.000 2.539 82 H HA 0.225 4.780 4.556 -0.003 0.000 0.269 82 H C 1.988 177.338 175.328 0.036 0.000 0.980 82 H CA 0.514 56.580 56.048 0.031 0.000 1.152 82 H CB 0.115 29.844 29.762 -0.054 0.000 1.407 82 H HN 0.493 nan 8.280 nan 0.000 0.564 83 G N 2.913 111.784 108.800 0.119 0.000 2.491 83 G HA2 -0.219 3.739 3.960 -0.002 0.000 0.218 83 G HA3 -0.219 3.739 3.960 -0.002 0.000 0.218 83 G C -0.458 174.530 174.900 0.147 0.000 1.180 83 G CA 0.399 45.562 45.100 0.105 0.000 0.774 83 G HN 0.363 nan 8.290 nan 0.000 0.562 84 P HA -0.171 nan 4.420 nan 0.000 0.214 84 P C 2.124 179.529 177.300 0.174 0.000 1.163 84 P CA 2.359 65.586 63.100 0.211 0.000 0.889 84 P CB -0.333 31.490 31.700 0.205 0.000 0.790 85 A N -0.479 122.492 122.820 0.251 0.000 1.933 85 A HA -0.175 4.144 4.320 -0.002 0.000 0.218 85 A C 2.265 179.953 177.584 0.174 0.000 1.175 85 A CA 1.671 53.860 52.037 0.255 0.000 0.628 85 A CB -1.613 17.500 19.000 0.188 0.000 0.814 85 A HN 0.183 nan 8.150 nan 0.000 0.444 86 L N -0.464 120.853 121.223 0.156 0.000 1.994 86 L HA -0.174 4.164 4.340 -0.002 0.000 0.208 86 L C 2.378 179.323 176.870 0.125 0.000 1.071 86 L CA 2.311 57.256 54.840 0.174 0.000 0.745 86 L CB -0.792 41.319 42.059 0.085 0.000 0.892 86 L HN 0.365 nan 8.230 nan 0.000 0.431 87 Q N -0.538 119.307 119.800 0.074 0.000 2.124 87 Q HA -0.182 4.156 4.340 -0.002 0.000 0.202 87 Q C 2.265 178.195 176.000 -0.116 0.000 0.977 87 Q CA 1.698 57.537 55.803 0.059 0.000 0.850 87 Q CB -0.822 28.043 28.738 0.211 0.000 0.901 87 Q HN 0.503 nan 8.270 nan 0.000 0.429 88 L N 0.024 121.003 121.223 -0.408 0.000 1.970 88 L HA -0.160 4.179 4.340 -0.002 0.000 0.212 88 L C 2.064 178.890 176.870 -0.074 0.000 1.071 88 L CA 1.855 56.317 54.840 -0.629 0.000 0.751 88 L CB -0.933 40.797 42.059 -0.549 0.000 0.889 88 L HN 0.294 nan 8.230 nan 0.000 0.432 89 W N 1.163 122.389 121.300 -0.124 0.000 2.301 89 W HA -0.307 4.352 4.660 -0.003 0.000 0.325 89 W C 2.575 179.080 176.519 -0.023 0.000 1.250 89 W CA 2.580 59.904 57.345 -0.034 0.000 1.261 89 W CB -0.739 28.721 29.460 -0.001 0.000 1.157 89 W HN 0.171 nan 8.180 nan 0.000 0.473 90 K N -0.566 119.824 120.400 -0.017 0.000 2.044 90 K HA -0.226 4.092 4.320 -0.002 0.000 0.210 90 K C 1.610 178.190 176.600 -0.034 0.000 1.049 90 K CA 2.139 58.339 56.287 -0.145 0.000 0.927 90 K CB -0.578 31.857 32.500 -0.109 0.000 0.713 90 K HN 0.038 nan 8.250 nan 0.000 0.443 91 D N 0.504 120.921 120.400 0.029 0.000 2.178 91 D HA -0.085 4.553 4.640 -0.002 0.000 0.202 91 D C 1.770 178.114 176.300 0.074 0.000 0.974 91 D CA 0.834 54.883 54.000 0.081 0.000 0.841 91 D CB -0.091 40.823 40.800 0.189 0.000 0.953 91 D HN 0.185 nan 8.370 nan 0.000 0.478 92 I N 0.802 121.413 120.570 0.068 0.000 2.226 92 I HA -0.209 3.959 4.170 -0.002 0.000 0.245 92 I C 2.155 178.344 176.117 0.121 0.000 1.100 92 I CA 1.119 62.463 61.300 0.074 0.000 1.374 92 I CB -0.142 37.941 38.000 0.139 0.000 1.057 92 I HN -0.011 nan 8.210 nan 0.000 0.413 93 E N 0.353 120.609 120.200 0.093 0.000 2.150 93 E HA -0.258 4.090 4.350 -0.002 0.000 0.193 93 E C 1.601 178.216 176.600 0.026 0.000 0.985 93 E CA 1.410 57.841 56.400 0.052 0.000 0.814 93 E CB -0.053 29.627 29.700 -0.033 0.000 0.752 93 E HN 0.461 nan 8.360 nan 0.000 0.466 94 D N -0.088 120.325 120.400 0.022 0.000 2.123 94 D HA -0.204 4.434 4.640 -0.002 0.000 0.200 94 D C 1.864 178.176 176.300 0.020 0.000 0.976 94 D CA 0.832 54.839 54.000 0.012 0.000 0.831 94 D CB -0.147 40.664 40.800 0.019 0.000 0.974 94 D HN 0.169 nan 8.370 nan 0.000 0.469 95 Y N 1.038 121.292 120.300 -0.076 0.000 2.128 95 Y HA -0.199 4.349 4.550 -0.003 0.000 0.284 95 Y C 1.642 177.486 175.900 -0.094 0.000 1.154 95 Y CA 2.060 60.087 58.100 -0.122 0.000 1.149 95 Y CB -0.275 38.030 38.460 -0.260 0.000 0.976 95 Y HN -0.053 nan 8.280 nan 0.000 0.505 96 D N -0.840 119.602 120.400 0.071 0.000 2.263 96 D HA -0.106 4.532 4.640 -0.002 0.000 0.208 96 D C 1.313 177.571 176.300 -0.069 0.000 0.971 96 D CA 1.736 55.751 54.000 0.025 0.000 0.867 96 D CB -0.102 40.773 40.800 0.126 0.000 0.929 96 D HN 0.399 nan 8.370 nan 0.000 0.492 97 T N -0.344 114.166 114.554 -0.073 0.000 3.132 97 T HA 0.424 4.773 4.350 -0.002 0.000 0.274 97 T C 0.675 175.321 174.700 -0.089 0.000 1.011 97 T CA -0.280 61.781 62.100 -0.065 0.000 0.899 97 T CB 0.786 69.633 68.868 -0.035 0.000 1.089 97 T HN 0.081 nan 8.240 nan 0.000 0.543 98 A N 1.434 124.165 122.820 -0.148 0.000 2.262 98 A HA 0.448 4.767 4.320 -0.002 0.000 0.273 98 A C 0.041 177.547 177.584 -0.129 0.000 1.202 98 A CA -0.342 51.613 52.037 -0.137 0.000 0.811 98 A CB 0.198 19.093 19.000 -0.174 0.000 1.159 98 A HN 0.241 nan 8.150 nan 0.000 0.505 99 D N -0.718 119.623 120.400 -0.099 0.000 2.229 99 D HA 0.194 4.833 4.640 -0.002 0.000 0.249 99 D C 0.066 176.315 176.300 -0.086 0.000 1.027 99 D CA -0.380 53.573 54.000 -0.077 0.000 0.923 99 D CB 1.327 42.098 40.800 -0.049 0.000 1.174 99 D HN 0.439 nan 8.370 nan 0.000 0.443 100 D N 1.459 121.818 120.400 -0.068 0.000 2.149 100 D HA -0.198 4.441 4.640 -0.002 0.000 0.194 100 D C 1.840 178.117 176.300 -0.038 0.000 1.001 100 D CA 1.414 55.381 54.000 -0.055 0.000 0.849 100 D CB -0.070 40.713 40.800 -0.029 0.000 0.939 100 D HN 0.509 nan 8.370 nan 0.000 0.449 101 A N -0.070 122.732 122.820 -0.030 0.000 1.978 101 A HA -0.139 4.179 4.320 -0.002 0.000 0.220 101 A C 2.342 179.918 177.584 -0.014 0.000 1.170 101 A CA 1.115 53.142 52.037 -0.017 0.000 0.636 101 A CB -0.525 18.466 19.000 -0.016 0.000 0.810 101 A HN 0.288 nan 8.150 nan 0.000 0.448 102 L N -2.284 118.922 121.223 -0.028 0.000 2.354 102 L HA 0.083 4.422 4.340 -0.002 0.000 0.212 102 L C 2.564 179.426 176.870 -0.014 0.000 1.091 102 L CA 0.222 55.050 54.840 -0.019 0.000 0.828 102 L CB -0.257 41.786 42.059 -0.028 0.000 0.973 102 L HN 0.260 nan 8.230 nan 0.000 0.461 103 R N 0.507 120.972 120.500 -0.058 0.000 2.113 103 R HA -0.201 4.138 4.340 -0.002 0.000 0.244 103 R C -0.426 175.955 176.300 0.135 0.000 1.142 103 R CA 2.026 58.084 56.100 -0.070 0.000 0.953 103 R CB -1.450 28.714 30.300 -0.225 0.000 0.860 103 R HN 0.278 nan 8.270 nan 0.000 0.438 104 P HA -0.187 nan 4.420 nan 0.000 0.216 104 P C 0.807 178.183 177.300 0.125 0.000 1.153 104 P CA 1.436 64.618 63.100 0.136 0.000 0.858 104 P CB -0.013 31.740 31.700 0.087 0.000 0.789 105 Q N -0.618 119.235 119.800 0.089 0.000 2.230 105 Q HA -0.095 4.243 4.340 -0.002 0.000 0.202 105 Q C 1.946 177.998 176.000 0.087 0.000 0.963 105 Q CA 1.031 56.877 55.803 0.073 0.000 0.866 105 Q CB -0.215 28.551 28.738 0.047 0.000 0.931 105 Q HN 0.390 nan 8.270 nan 0.000 0.452 106 K N 0.151 120.621 120.400 0.116 0.000 2.228 106 K HA 0.004 4.323 4.320 -0.002 0.000 0.202 106 K C 2.035 178.716 176.600 0.135 0.000 1.051 106 K CA 0.764 57.133 56.287 0.138 0.000 0.960 106 K CB 0.038 32.640 32.500 0.171 0.000 0.743 106 K HN 0.071 nan 8.250 nan 0.000 0.458 107 A N 1.849 124.767 122.820 0.163 0.000 1.858 107 A HA -0.225 4.094 4.320 -0.002 0.000 0.216 107 A C 2.116 179.805 177.584 0.174 0.000 1.190 107 A CA 1.323 53.426 52.037 0.110 0.000 0.617 107 A CB -0.533 18.614 19.000 0.244 0.000 0.827 107 A HN 0.258 nan 8.150 nan 0.000 0.443 108 Q N -0.748 119.133 119.800 0.136 0.000 2.096 108 Q HA -0.157 4.181 4.340 -0.002 0.000 0.204 108 Q C 2.405 178.447 176.000 0.070 0.000 0.982 108 Q CA 1.551 57.413 55.803 0.097 0.000 0.850 108 Q CB -0.386 28.395 28.738 0.071 0.000 0.901 108 Q HN 0.696 nan 8.270 nan 0.000 0.422 109 A N 0.677 123.532 122.820 0.060 0.000 1.898 109 A HA -0.149 4.170 4.320 -0.002 0.000 0.216 109 A C 2.011 179.597 177.584 0.004 0.000 1.181 109 A CA 0.896 52.945 52.037 0.020 0.000 0.620 109 A CB -0.627 18.387 19.000 0.023 0.000 0.819 109 A HN 0.396 nan 8.150 nan 0.000 0.442 110 L N -0.755 120.525 121.223 0.094 0.000 2.017 110 L HA -0.186 4.153 4.340 -0.002 0.000 0.208 110 L C 2.806 179.816 176.870 0.234 0.000 1.073 110 L CA 1.516 56.493 54.840 0.228 0.000 0.745 110 L CB -0.292 41.911 42.059 0.240 0.000 0.894 110 L HN 0.345 nan 8.230 nan 0.000 0.432 111 R N -0.447 120.174 120.500 0.202 0.000 2.080 111 R HA -0.176 4.163 4.340 -0.002 0.000 0.236 111 R C 2.280 178.629 176.300 0.082 0.000 1.137 111 R CA 1.508 57.701 56.100 0.155 0.000 0.943 111 R CB -0.627 29.748 30.300 0.125 0.000 0.846 111 R HN 0.501 nan 8.270 nan 0.000 0.431 112 A N 0.842 123.682 122.820 0.033 0.000 1.969 112 A HA -0.048 4.271 4.320 -0.002 0.000 0.218 112 A C 2.232 179.780 177.584 -0.060 0.000 1.169 112 A CA 1.621 53.652 52.037 -0.009 0.000 0.635 112 A CB -0.397 18.592 19.000 -0.017 0.000 0.810 112 A HN 0.418 nan 8.150 nan 0.000 0.445 113 A N -2.343 120.378 122.820 -0.165 0.000 2.072 113 A HA 0.230 4.549 4.320 -0.002 0.000 0.216 113 A C 1.667 178.983 177.584 -0.446 0.000 1.156 113 A CA 1.060 52.865 52.037 -0.387 0.000 0.701 113 A CB -0.328 18.282 19.000 -0.650 0.000 0.816 113 A HN 0.626 nan 8.150 nan 0.000 0.458 114 Y N -1.916 118.447 120.300 0.105 0.000 2.432 114 Y HA 0.366 4.914 4.550 -0.002 0.000 0.252 114 Y C 1.463 177.466 175.900 0.171 0.000 1.097 114 Y CA -0.156 58.011 58.100 0.110 0.000 1.250 114 Y CB 0.588 39.090 38.460 0.069 0.000 1.245 114 Y HN 0.092 nan 8.280 nan 0.000 0.522 115 L N -0.581 120.819 121.223 0.295 0.000 2.749 115 L HA 0.192 4.530 4.340 -0.002 0.000 0.242 115 L C 0.284 177.292 176.870 0.230 0.000 1.103 115 L CA 0.044 55.067 54.840 0.305 0.000 0.906 115 L CB 0.407 42.563 42.059 0.162 0.000 1.228 115 L HN -0.061 nan 8.230 nan 0.000 0.517 116 E N 2.339 122.592 120.200 0.089 0.000 2.299 116 E HA 0.055 4.403 4.350 -0.002 0.000 0.272 116 E C -1.709 174.698 176.600 -0.322 0.000 1.043 116 E CA -1.518 54.835 56.400 -0.079 0.000 0.895 116 E CB 1.107 30.770 29.700 -0.062 0.000 1.011 116 E HN -0.080 nan 8.360 nan 0.000 0.432 117 P HA -0.248 nan 4.420 nan 0.000 0.217 117 P C 0.574 177.500 177.300 -0.625 0.000 1.148 117 P CA 1.609 64.040 63.100 -1.116 0.000 0.828 117 P CB 0.059 31.367 31.700 -0.653 0.000 0.783 118 Q N -0.924 118.686 119.800 -0.316 0.000 2.331 118 Q HA 0.158 4.497 4.340 -0.002 0.000 0.203 118 Q C 0.926 176.868 176.000 -0.096 0.000 0.944 118 Q CA 0.199 55.901 55.803 -0.168 0.000 0.892 118 Q CB -0.630 28.039 28.738 -0.115 0.000 0.983 118 Q HN 0.002 nan 8.270 nan 0.000 0.482 119 A N 1.631 124.403 122.820 -0.079 0.000 2.561 119 A HA -0.092 4.227 4.320 -0.002 0.000 0.234 119 A C 0.956 178.572 177.584 0.052 0.000 1.055 119 A CA 0.046 52.078 52.037 -0.008 0.000 0.756 119 A CB 0.329 19.335 19.000 0.010 0.000 0.986 119 A HN 0.449 nan 8.150 nan 0.000 0.505 120 Q N 0.955 120.781 119.800 0.044 0.000 2.046 120 Q HA -0.074 4.264 4.340 -0.002 0.000 0.200 120 Q C 0.336 176.409 176.000 0.121 0.000 0.975 120 Q CA 1.048 56.892 55.803 0.068 0.000 0.836 120 Q CB -0.225 28.538 28.738 0.042 0.000 0.896 120 Q HN 0.759 nan 8.270 nan 0.000 0.428 121 L N 1.936 123.236 121.223 0.128 0.000 2.533 121 L HA 0.159 4.498 4.340 -0.002 0.000 0.239 121 L C -0.334 176.708 176.870 0.286 0.000 1.376 121 L CA -0.600 54.366 54.840 0.211 0.000 1.240 121 L CB -0.441 41.774 42.059 0.261 0.000 1.487 121 L HN 0.042 nan 8.230 nan 0.000 0.419 122 F N 0.375 120.369 119.950 0.074 0.000 2.404 122 F HA 0.275 4.800 4.527 -0.002 0.000 0.339 122 F C 0.434 176.215 175.800 -0.031 0.000 1.105 122 F CA -1.026 56.990 58.000 0.026 0.000 1.087 122 F CB 0.858 39.849 39.000 -0.015 0.000 1.143 122 F HN 0.022 nan 8.300 nan 0.000 0.491 123 C N 5.993 124.698 119.300 -0.991 0.000 2.298 123 C HA 0.148 4.607 4.460 -0.002 0.000 0.451 123 C C 1.758 175.858 174.990 -1.482 0.000 1.028 123 C CA -0.117 58.215 59.018 -1.144 0.000 1.324 123 C CB -1.897 25.120 27.740 -1.204 0.000 1.534 123 C HN 1.033 nan 8.230 nan 0.000 0.528 124 S N 2.505 117.665 115.700 -0.901 0.000 2.393 124 S HA -0.309 4.159 4.470 -0.002 0.000 0.234 124 S C 1.434 175.798 174.600 -0.394 0.000 1.064 124 S CA 2.445 60.388 58.200 -0.428 0.000 1.088 124 S CB -0.544 62.617 63.200 -0.065 0.000 0.939 124 S HN 0.899 nan 8.310 nan 0.000 0.448 125 F N 1.731 121.482 119.950 -0.332 0.000 2.161 125 F HA 0.090 4.616 4.527 -0.002 0.000 0.300 125 F C 0.886 176.532 175.800 -0.256 0.000 1.089 125 F CA 0.061 57.853 58.000 -0.346 0.000 1.282 125 F CB -1.229 37.333 39.000 -0.729 0.000 1.010 125 F HN 0.041 nan 8.300 nan 0.000 0.485 126 L N 1.560 122.390 121.223 -0.655 0.000 2.483 126 L HA 0.016 4.355 4.340 -0.002 0.000 0.275 126 L C 0.314 177.077 176.870 -0.178 0.000 1.220 126 L CA -0.187 54.444 54.840 -0.349 0.000 0.833 126 L CB -0.097 41.671 42.059 -0.484 0.000 1.102 126 L HN 0.060 nan 8.230 nan 0.000 0.490 127 D N 0.659 121.010 120.400 -0.082 0.000 2.368 127 D HA 0.117 4.755 4.640 -0.002 0.000 0.240 127 D C 0.718 176.997 176.300 -0.035 0.000 1.169 127 D CA 0.455 54.431 54.000 -0.041 0.000 0.906 127 D CB 1.323 42.111 40.800 -0.021 0.000 1.187 127 D HN 0.592 nan 8.370 nan 0.000 0.435 128 A N 2.033 124.849 122.820 -0.006 0.000 1.933 128 A HA -0.191 4.127 4.320 -0.002 0.000 0.218 128 A C 1.757 179.338 177.584 -0.006 0.000 1.175 128 A CA 1.398 53.440 52.037 0.009 0.000 0.628 128 A CB -0.501 18.507 19.000 0.014 0.000 0.814 128 A HN 0.694 nan 8.150 nan 0.000 0.444 129 E N -0.676 119.517 120.200 -0.012 0.000 2.209 129 E HA -0.134 4.215 4.350 -0.002 0.000 0.196 129 E C 1.771 178.355 176.600 -0.026 0.000 0.993 129 E CA 1.652 58.042 56.400 -0.016 0.000 0.819 129 E CB -0.174 29.518 29.700 -0.013 0.000 0.745 129 E HN 0.723 nan 8.360 nan 0.000 0.477 130 T N -0.534 114.000 114.554 -0.033 0.000 3.044 130 T HA 0.019 4.367 4.350 -0.002 0.000 0.255 130 T C 2.064 176.729 174.700 -0.058 0.000 1.073 130 T CA 0.189 62.262 62.100 -0.045 0.000 1.125 130 T CB 0.121 68.962 68.868 -0.044 0.000 0.908 130 T HN -0.043 nan 8.240 nan 0.000 0.480 131 V N 2.191 122.078 119.914 -0.045 0.000 2.307 131 V HA -0.095 4.024 4.120 -0.002 0.000 0.245 131 V C 3.057 179.133 176.094 -0.031 0.000 1.045 131 V CA 1.681 63.965 62.300 -0.026 0.000 1.024 131 V CB -1.297 30.547 31.823 0.035 0.000 0.651 131 V HN 0.534 nan 8.190 nan 0.000 0.449 132 A N -0.013 122.793 122.820 -0.025 0.000 1.940 132 A HA -0.283 4.035 4.320 -0.002 0.000 0.219 132 A C 2.412 179.964 177.584 -0.053 0.000 1.176 132 A CA 2.157 54.175 52.037 -0.031 0.000 0.631 132 A CB -0.618 18.368 19.000 -0.023 0.000 0.814 132 A HN 0.466 nan 8.150 nan 0.000 0.446 133 R N -0.816 119.647 120.500 -0.062 0.000 2.235 133 R HA 0.143 4.481 4.340 -0.002 0.000 0.213 133 R C 0.876 177.093 176.300 -0.139 0.000 1.059 133 R CA 0.678 56.729 56.100 -0.082 0.000 0.997 133 R CB -0.213 30.046 30.300 -0.068 0.000 0.884 133 R HN 0.553 nan 8.270 nan 0.000 0.462 144 Q N 2.681 122.602 119.800 0.201 0.000 2.045 144 Q HA -0.078 4.261 4.340 -0.002 0.000 0.206 144 Q C -0.906 175.142 176.000 0.080 0.000 0.991 144 Q CA 2.814 58.697 55.803 0.135 0.000 0.851 144 Q CB -1.411 27.393 28.738 0.111 0.000 0.911 144 Q HN 0.208 nan 8.270 nan 0.000 0.418 145 P HA -0.198 nan 4.420 nan 0.000 0.217 145 P C 1.312 178.623 177.300 0.019 0.000 1.151 145 P CA 1.068 64.178 63.100 0.017 0.000 0.849 145 P CB -0.107 31.587 31.700 -0.011 0.000 0.787 146 L N -0.974 120.264 121.223 0.024 0.000 2.056 146 L HA -0.088 4.251 4.340 -0.002 0.000 0.207 146 L C 2.418 179.326 176.870 0.064 0.000 1.078 146 L CA 1.414 56.272 54.840 0.031 0.000 0.749 146 L CB -1.513 40.565 42.059 0.033 0.000 0.901 146 L HN -0.162 nan 8.230 nan 0.000 0.433 147 L N -0.143 121.133 121.223 0.089 0.000 2.046 147 L HA -0.197 4.141 4.340 -0.002 0.000 0.208 147 L C 2.714 179.596 176.870 0.020 0.000 1.077 147 L CA 1.804 56.692 54.840 0.079 0.000 0.747 147 L CB -0.792 41.339 42.059 0.120 0.000 0.896 147 L HN 0.335 nan 8.230 nan 0.000 0.432 148 R N -0.871 119.643 120.500 0.023 0.000 2.120 148 R HA -0.138 4.200 4.340 -0.002 0.000 0.234 148 R C 2.064 178.364 176.300 0.001 0.000 1.123 148 R CA 1.217 57.317 56.100 0.000 0.000 0.975 148 R CB -0.203 30.101 30.300 0.007 0.000 0.866 148 R HN 0.506 nan 8.270 nan 0.000 0.446 149 A N 0.005 122.841 122.820 0.026 0.000 1.897 149 A HA -0.058 4.261 4.320 -0.002 0.000 0.215 149 A C 2.188 179.836 177.584 0.106 0.000 1.181 149 A CA 1.223 53.295 52.037 0.059 0.000 0.620 149 A CB -0.345 18.691 19.000 0.060 0.000 0.821 149 A HN 0.196 nan 8.150 nan 0.000 0.443 150 V N 0.301 120.278 119.914 0.105 0.000 2.307 150 V HA -0.219 3.900 4.120 -0.002 0.000 0.245 150 V C 2.535 178.566 176.094 -0.105 0.000 1.045 150 V CA 1.804 64.172 62.300 0.114 0.000 1.024 150 V CB -0.755 31.129 31.823 0.102 0.000 0.651 150 V HN 0.547 nan 8.190 nan 0.000 0.449 151 L N 0.036 121.153 121.223 -0.176 0.000 2.141 151 L HA -0.117 4.222 4.340 -0.002 0.000 0.209 151 L C 2.766 179.543 176.870 -0.154 0.000 1.094 151 L CA 1.312 56.010 54.840 -0.236 0.000 0.763 151 L CB -0.876 41.045 42.059 -0.231 0.000 0.908 151 L HN 0.369 nan 8.230 nan 0.000 0.437 152 A N 0.057 122.816 122.820 -0.102 0.000 1.883 152 A HA -0.329 3.990 4.320 -0.002 0.000 0.217 152 A C 2.151 179.621 177.584 -0.190 0.000 1.186 152 A CA 2.276 54.248 52.037 -0.110 0.000 0.624 152 A CB -0.889 18.088 19.000 -0.037 0.000 0.822 152 A HN 0.546 nan 8.150 nan 0.000 0.444 153 H N -0.140 118.769 119.070 -0.268 0.000 2.321 153 H HA 0.036 4.590 4.556 -0.002 0.000 0.300 153 H C 1.649 176.701 175.328 -0.459 0.000 1.087 153 H CA 1.835 57.650 56.048 -0.389 0.000 1.319 153 H CB -0.356 28.996 29.762 -0.684 0.000 1.379 153 H HN 0.340 nan 8.280 nan 0.000 0.501 154 L N -0.319 120.521 121.223 -0.638 0.000 2.353 154 L HA -0.049 4.290 4.340 -0.002 0.000 0.220 154 L C 2.512 178.875 176.870 -0.844 0.000 1.133 154 L CA 0.907 55.380 54.840 -0.611 0.000 0.798 154 L CB -0.435 41.457 42.059 -0.277 0.000 0.922 154 L HN 0.511 nan 8.230 nan 0.000 0.445 155 G N -1.484 106.603 108.800 -1.188 0.000 2.623 155 G HA2 -0.077 3.882 3.960 -0.002 0.000 0.214 155 G HA3 -0.077 3.882 3.960 -0.002 0.000 0.214 155 G C 1.345 175.807 174.900 -0.729 0.000 1.138 155 G CA -0.048 44.052 45.100 -1.666 0.000 0.794 155 G HN 0.197 nan 8.290 nan 0.000 0.535 156 Q N 0.627 120.123 119.800 -0.508 0.000 1.988 156 Q HA 0.333 4.671 4.340 -0.002 0.000 0.651 156 Q C 2.784 178.653 176.000 -0.218 0.000 0.977 156 Q CA 0.644 56.278 55.803 -0.283 0.000 0.748 156 Q CB -1.126 27.483 28.738 -0.215 0.000 3.195 156 Q HN 0.147 nan 8.270 nan 0.000 0.286 157 A N 1.684 124.383 122.820 -0.202 0.000 1.877 157 A HA -0.122 4.196 4.320 -0.002 0.000 0.216 157 A C -0.464 177.048 177.584 -0.121 0.000 1.186 157 A CA 1.792 53.765 52.037 -0.106 0.000 0.620 157 A CB -1.837 17.154 19.000 -0.017 0.000 0.822 157 A HN 0.357 nan 8.150 nan 0.000 0.443 158 P HA -0.187 nan 4.420 nan 0.000 0.215 158 P C 1.483 178.772 177.300 -0.020 0.000 1.157 158 P CA 1.221 64.117 63.100 -0.341 0.000 0.874 158 P CB -0.189 31.126 31.700 -0.642 0.000 0.790 159 F N 0.704 120.545 119.950 -0.182 0.000 2.095 159 F HA -0.208 4.318 4.527 -0.002 0.000 0.298 159 F C 2.157 177.890 175.800 -0.112 0.000 1.104 159 F CA 1.668 59.584 58.000 -0.140 0.000 1.232 159 F CB -0.937 37.785 39.000 -0.464 0.000 0.987 159 F HN -0.143 nan 8.300 nan 0.000 0.475 160 Q N 0.496 120.159 119.800 -0.227 0.000 2.124 160 Q HA -0.203 4.136 4.340 -0.002 0.000 0.202 160 Q C 2.141 177.993 176.000 -0.248 0.000 0.977 160 Q CA 1.906 57.526 55.803 -0.304 0.000 0.850 160 Q CB -0.479 28.168 28.738 -0.151 0.000 0.901 160 Q HN 0.608 nan 8.270 nan 0.000 0.429 161 E N -0.088 120.038 120.200 -0.123 0.000 2.072 161 E HA -0.151 4.198 4.350 -0.002 0.000 0.191 161 E C 1.686 178.133 176.600 -0.254 0.000 0.985 161 E CA 0.757 57.137 56.400 -0.032 0.000 0.801 161 E CB -0.253 29.573 29.700 0.211 0.000 0.750 161 E HN 0.251 nan 8.360 nan 0.000 0.452 162 F N 1.526 121.007 119.950 -0.782 0.000 2.126 162 F HA -0.201 4.325 4.527 -0.002 0.000 0.299 162 F C 1.795 177.233 175.800 -0.604 0.000 1.096 162 F CA 1.334 58.602 58.000 -1.219 0.000 1.255 162 F CB -0.132 38.341 39.000 -0.878 0.000 0.997 162 F HN -0.078 nan 8.300 nan 0.000 0.479 163 L N -0.177 120.625 121.223 -0.701 0.000 2.187 163 L HA -0.199 4.140 4.340 -0.002 0.000 0.213 163 L C 1.045 177.669 176.870 -0.410 0.000 1.100 163 L CA 1.431 55.763 54.840 -0.847 0.000 0.765 163 L CB -0.667 40.849 42.059 -0.906 0.000 0.904 163 L HN 0.095 nan 8.230 nan 0.000 0.437 164 D N -0.072 120.165 120.400 -0.273 0.000 2.561 164 D HA 0.078 4.716 4.640 -0.002 0.000 0.232 164 D C 0.242 176.534 176.300 -0.013 0.000 1.198 164 D CA 0.040 53.985 54.000 -0.092 0.000 0.826 164 D CB 0.195 40.962 40.800 -0.055 0.000 0.992 164 D HN 0.218 nan 8.370 nan 0.000 0.490 165 S N -1.904 113.767 115.700 -0.049 0.000 2.661 165 S HA 0.354 4.823 4.470 -0.002 0.000 0.285 165 S C 1.047 175.687 174.600 0.066 0.000 1.138 165 S CA -0.781 57.468 58.200 0.082 0.000 0.855 165 S CB 0.926 64.240 63.200 0.190 0.000 1.136 165 S HN 0.002 nan 8.310 nan 0.000 0.484 166 L N 0.116 121.400 121.223 0.101 0.000 2.275 166 L HA -0.051 4.288 4.340 -0.002 0.000 0.215 166 L C 1.701 178.519 176.870 -0.086 0.000 1.119 166 L CA 1.253 56.070 54.840 -0.039 0.000 0.790 166 L CB -0.678 41.285 42.059 -0.161 0.000 0.919 166 L HN 0.736 nan 8.230 nan 0.000 0.443 167 Y N -1.545 118.773 120.300 0.029 0.000 2.314 167 Y HA -0.218 4.331 4.550 -0.002 0.000 0.293 167 Y C 2.316 178.237 175.900 0.034 0.000 1.129 167 Y CA 1.095 59.270 58.100 0.124 0.000 1.201 167 Y CB -0.386 38.274 38.460 0.334 0.000 0.999 167 Y HN 0.062 nan 8.280 nan 0.000 0.541 168 F N 0.371 120.072 119.950 -0.415 0.000 2.146 168 F HA -0.153 4.373 4.527 -0.002 0.000 0.298 168 F C 1.751 177.592 175.800 0.069 0.000 1.096 168 F CA 1.285 59.072 58.000 -0.355 0.000 1.275 168 F CB -0.681 37.934 39.000 -0.643 0.000 1.008 168 F HN -0.071 nan 8.300 nan 0.000 0.480 169 L N -0.052 121.055 121.223 -0.192 0.000 2.083 169 L HA -0.203 4.135 4.340 -0.002 0.000 0.209 169 L C 2.614 179.441 176.870 -0.072 0.000 1.083 169 L CA 1.530 56.238 54.840 -0.221 0.000 0.752 169 L CB -0.715 41.280 42.059 -0.107 0.000 0.899 169 L HN 0.095 nan 8.230 nan 0.000 0.433 170 R N 0.421 120.964 120.500 0.072 0.000 2.081 170 R HA -0.232 4.106 4.340 -0.002 0.000 0.235 170 R C 2.200 178.741 176.300 0.402 0.000 1.131 170 R CA 1.621 57.851 56.100 0.217 0.000 0.960 170 R CB -0.839 29.638 30.300 0.296 0.000 0.856 170 R HN 0.247 nan 8.270 nan 0.000 0.436 171 F N 0.678 120.799 119.950 0.285 0.000 2.095 171 F HA -0.139 4.386 4.527 -0.002 0.000 0.298 171 F C 1.644 177.579 175.800 0.226 0.000 1.104 171 F CA 1.694 59.912 58.000 0.363 0.000 1.232 171 F CB -0.423 38.831 39.000 0.424 0.000 0.987 171 F HN 0.037 nan 8.300 nan 0.000 0.475 172 L N -0.157 120.952 121.223 -0.191 0.000 2.079 172 L HA -0.272 4.067 4.340 -0.002 0.000 0.210 172 L C 2.540 179.341 176.870 -0.115 0.000 1.081 172 L CA 1.573 56.245 54.840 -0.281 0.000 0.752 172 L CB -0.906 40.936 42.059 -0.361 0.000 0.896 172 L HN 0.296 nan 8.230 nan 0.000 0.433 173 Q N -0.928 118.836 119.800 -0.060 0.000 2.050 173 Q HA -0.235 4.103 4.340 -0.002 0.000 0.202 173 Q C 2.128 178.140 176.000 0.020 0.000 0.980 173 Q CA 2.161 57.920 55.803 -0.073 0.000 0.840 173 Q CB -0.222 28.422 28.738 -0.156 0.000 0.898 173 Q HN 0.500 nan 8.270 nan 0.000 0.424 174 W N 0.741 122.100 121.300 0.099 0.000 2.402 174 W HA -0.104 4.555 4.660 -0.001 0.000 0.286 174 W C 2.020 178.600 176.519 0.102 0.000 1.221 174 W CA 0.424 57.894 57.345 0.209 0.000 1.257 174 W CB 0.238 29.872 29.460 0.291 0.000 1.120 174 W HN -0.026 nan 8.180 nan 0.000 0.551 175 K N -1.076 119.364 120.400 0.066 0.000 2.366 175 K HA -0.140 4.178 4.320 -0.002 0.000 0.198 175 K C 1.497 178.072 176.600 -0.042 0.000 1.044 175 K CA 0.841 57.069 56.287 -0.099 0.000 0.973 175 K CB -0.714 31.587 32.500 -0.331 0.000 0.767 175 K HN 0.343 nan 8.250 nan 0.000 0.475 176 W N 1.031 122.246 121.300 -0.142 0.000 2.444 176 W HA -0.139 4.519 4.660 -0.002 0.000 0.308 176 W C 1.793 178.219 176.519 -0.154 0.000 1.183 176 W CA 0.545 57.806 57.345 -0.141 0.000 1.340 176 W CB -0.305 29.082 29.460 -0.123 0.000 1.138 176 W HN -0.039 nan 8.180 nan 0.000 0.510 177 L N 1.613 122.979 121.223 0.238 0.000 2.079 177 L HA -0.228 4.111 4.340 -0.002 0.000 0.210 177 L C 2.438 179.069 176.870 -0.399 0.000 1.081 177 L CA 2.641 57.514 54.840 0.055 0.000 0.752 177 L CB -1.245 41.018 42.059 0.340 0.000 0.896 177 L HN 0.290 nan 8.230 nan 0.000 0.433 178 E N -0.710 119.127 120.200 -0.605 0.000 2.058 178 E HA -0.248 4.100 4.350 -0.002 0.000 0.194 178 E C 1.917 178.009 176.600 -0.846 0.000 0.997 178 E CA 1.289 56.930 56.400 -1.265 0.000 0.801 178 E CB -0.203 29.031 29.700 -0.778 0.000 0.746 178 E HN 0.552 nan 8.360 nan 0.000 0.450 179 A N 0.717 123.187 122.820 -0.582 0.000 2.206 179 A HA -0.014 4.304 4.320 -0.002 0.000 0.211 179 A C 0.830 178.092 177.584 -0.537 0.000 1.158 179 A CA 0.107 51.850 52.037 -0.491 0.000 0.761 179 A CB -0.013 18.755 19.000 -0.387 0.000 0.801 179 A HN 0.196 nan 8.150 nan 0.000 0.473 180 Q N 0.485 119.895 119.800 -0.651 0.000 2.417 180 Q HA 0.263 4.601 4.340 -0.002 0.000 0.241 180 Q C -2.495 173.241 176.000 -0.440 0.000 1.008 180 Q CA -2.035 53.411 55.803 -0.595 0.000 0.901 180 Q CB -0.235 28.114 28.738 -0.648 0.000 1.259 180 Q HN 0.180 nan 8.270 nan 0.000 0.489 181 P HA 0.171 nan 4.420 nan 0.000 0.271 181 P C -0.687 176.368 177.300 -0.408 0.000 1.226 181 P CA 0.331 63.273 63.100 -0.263 0.000 0.765 181 P CB 0.338 31.960 31.700 -0.130 0.000 0.835 182 M N 2.772 122.064 119.600 -0.513 0.000 1.962 182 M HA 0.356 4.835 4.480 -0.002 0.000 0.227 182 M C 0.461 176.452 176.300 -0.515 0.000 0.890 182 M CA -0.160 54.560 55.300 -0.966 0.000 0.843 182 M CB 1.797 33.749 32.600 -1.080 0.000 1.894 182 M HN 0.399 nan 8.290 nan 0.000 0.359 183 G N -0.046 108.523 108.800 -0.386 0.000 2.940 183 G HA2 0.239 4.198 3.960 -0.002 0.000 0.164 183 G HA3 0.239 4.198 3.960 -0.002 0.000 0.164 183 G C 0.497 174.942 174.900 -0.758 0.000 1.326 183 G CA -0.158 44.593 45.100 -0.581 0.000 1.020 183 G HN 0.614 nan 8.290 nan 0.000 0.586 184 E N -0.189 119.598 120.200 -0.689 0.000 2.136 184 E HA -0.268 4.081 4.350 -0.002 0.000 0.208 184 E C 1.706 178.278 176.600 -0.047 0.000 1.035 184 E CA 2.054 58.327 56.400 -0.212 0.000 0.838 184 E CB -0.119 29.632 29.700 0.085 0.000 0.748 184 E HN 0.385 nan 8.360 nan 0.000 0.459 185 D N -0.898 119.506 120.400 0.006 0.000 2.218 185 D HA -0.158 4.481 4.640 -0.002 0.000 0.204 185 D C 1.304 177.458 176.300 -0.243 0.000 0.976 185 D CA 0.793 54.802 54.000 0.015 0.000 0.853 185 D CB -0.425 40.466 40.800 0.152 0.000 0.939 185 D HN 0.432 nan 8.370 nan 0.000 0.481 186 W N -0.142 120.815 121.300 -0.571 0.000 2.905 186 W HA 0.168 4.826 4.660 -0.003 0.000 0.251 186 W C 0.146 176.031 176.519 -1.058 0.000 1.305 186 W CA -0.187 56.546 57.345 -1.021 0.000 1.465 186 W CB -0.207 28.647 29.460 -1.009 0.000 1.122 186 W HN -0.215 nan 8.180 nan 0.000 0.659 187 F N 0.676 120.531 119.950 -0.157 0.000 2.469 187 F HA 0.432 4.958 4.527 -0.002 0.000 0.332 187 F C -0.221 175.548 175.800 -0.051 0.000 1.103 187 F CA -1.269 56.688 58.000 -0.071 0.000 0.979 187 F CB 1.108 40.111 39.000 0.005 0.000 1.137 187 F HN -0.512 nan 8.300 nan 0.000 0.463 188 L N 4.767 126.078 121.223 0.146 0.000 2.318 188 L HA 0.416 4.754 4.340 -0.002 0.000 0.277 188 L C -0.737 176.282 176.870 0.248 0.000 1.008 188 L CA -0.819 54.094 54.840 0.123 0.000 0.846 188 L CB 0.365 42.448 42.059 0.040 0.000 1.220 188 L HN 0.492 nan 8.230 nan 0.000 0.423 189 D N 5.037 125.559 120.400 0.204 0.000 2.389 189 D HA 0.106 4.745 4.640 -0.002 0.000 0.247 189 D C 0.565 177.094 176.300 0.381 0.000 1.128 189 D CA 0.312 54.469 54.000 0.262 0.000 0.884 189 D CB 1.030 41.800 40.800 -0.049 0.000 1.194 189 D HN 0.599 nan 8.370 nan 0.000 0.441 190 F N -0.229 119.840 119.950 0.199 0.000 2.784 190 F HA 0.265 4.791 4.527 -0.002 0.000 0.323 190 F C 0.356 176.246 175.800 0.150 0.000 1.085 190 F CA -0.772 57.318 58.000 0.151 0.000 1.196 190 F CB 0.633 39.694 39.000 0.101 0.000 1.053 190 F HN 0.233 nan 8.300 nan 0.000 0.578 191 R N 0.186 120.552 120.500 -0.222 0.000 2.858 191 R HA 0.443 4.781 4.340 -0.002 0.000 0.252 191 R C -2.070 174.072 176.300 -0.264 0.000 1.063 191 R CA -0.903 55.069 56.100 -0.213 0.000 0.955 191 R CB 1.006 31.134 30.300 -0.286 0.000 1.259 191 R HN -0.080 nan 8.270 nan 0.000 0.477 192 V N 3.817 123.535 119.914 -0.327 0.000 2.555 192 V HA 0.124 4.243 4.120 -0.002 0.000 0.286 192 V C 1.310 177.233 176.094 -0.284 0.000 1.044 192 V CA -0.225 61.793 62.300 -0.470 0.000 1.026 192 V CB 1.066 32.581 31.823 -0.513 0.000 0.981 192 V HN 0.699 nan 8.190 nan 0.000 0.480 193 L N 3.518 124.600 121.223 -0.236 0.000 2.513 193 L HA 0.506 4.845 4.340 -0.002 0.000 0.222 193 L C 0.981 177.772 176.870 -0.132 0.000 1.096 193 L CA 0.730 55.479 54.840 -0.152 0.000 0.857 193 L CB 0.323 42.325 42.059 -0.096 0.000 1.026 193 L HN 0.891 nan 8.230 nan 0.000 0.469 194 G N -0.111 108.601 108.800 -0.146 0.000 2.338 194 G HA2 0.353 4.312 3.960 -0.002 0.000 0.295 194 G HA3 0.353 4.312 3.960 -0.002 0.000 0.295 194 G C -1.626 173.215 174.900 -0.098 0.000 1.461 194 G CA -0.823 44.214 45.100 -0.105 0.000 0.817 194 G HN -0.122 nan 8.290 nan 0.000 0.556 195 R N -0.420 120.042 120.500 -0.063 0.000 2.480 195 R HA 0.661 5.000 4.340 -0.002 0.000 0.306 195 R C 0.293 176.589 176.300 -0.007 0.000 0.958 195 R CA -0.271 55.803 56.100 -0.044 0.000 0.861 195 R CB 2.166 32.436 30.300 -0.051 0.000 1.171 195 R HN 0.837 nan 8.270 nan 0.000 0.445 196 G N -0.016 108.796 108.800 0.020 0.000 3.016 196 G HA2 0.373 4.331 3.960 -0.002 0.000 0.270 196 G HA3 0.373 4.331 3.960 -0.002 0.000 0.270 196 G C 0.597 175.518 174.900 0.036 0.000 1.352 196 G CA -0.483 44.649 45.100 0.053 0.000 1.060 196 G HN 0.606 nan 8.290 nan 0.000 0.538 197 G N -1.335 107.498 108.800 0.055 0.000 2.534 197 G HA2 0.059 4.017 3.960 -0.002 0.000 0.217 197 G HA3 0.059 4.017 3.960 -0.002 0.000 0.217 197 G C 0.712 175.402 174.900 -0.350 0.000 1.128 197 G CA 0.472 45.496 45.100 -0.127 0.000 0.784 197 G HN 0.311 nan 8.290 nan 0.000 0.542 198 F N 0.070 120.034 119.950 0.023 0.000 2.706 198 F HA 0.478 5.003 4.527 -0.002 0.000 0.313 198 F C 1.123 176.935 175.800 0.019 0.000 1.096 198 F CA 0.284 58.299 58.000 0.025 0.000 1.219 198 F CB 1.385 40.405 39.000 0.033 0.000 1.051 198 F HN 0.290 nan 8.300 nan 0.000 0.568 199 G N 0.024 108.907 108.800 0.139 0.000 2.352 199 G HA2 0.142 4.100 3.960 -0.002 0.000 0.302 199 G HA3 0.142 4.100 3.960 -0.002 0.000 0.302 199 G C -1.400 173.551 174.900 0.086 0.000 1.370 199 G CA -1.140 44.022 45.100 0.103 0.000 0.918 199 G HN -0.033 nan 8.290 nan 0.000 0.610 200 E N -1.599 118.657 120.200 0.092 0.000 2.369 200 E HA 0.529 4.878 4.350 -0.002 0.000 0.255 200 E C -0.356 176.289 176.600 0.075 0.000 1.172 200 E CA -0.412 55.996 56.400 0.014 0.000 0.932 200 E CB 1.738 31.360 29.700 -0.131 0.000 1.040 200 E HN 0.324 nan 8.360 nan 0.000 0.454 201 V N 2.937 122.832 119.914 -0.032 0.000 2.357 201 V HA 0.245 4.364 4.120 -0.002 0.000 0.281 201 V C -0.985 175.099 176.094 -0.017 0.000 1.015 201 V CA -0.522 61.808 62.300 0.050 0.000 0.827 201 V CB 0.002 31.840 31.823 0.024 0.000 1.018 201 V HN 0.463 nan 8.190 nan 0.000 0.432 202 F N 2.459 122.393 119.950 -0.026 0.000 2.380 202 F HA 0.705 5.230 4.527 -0.002 0.000 0.325 202 F C 0.856 176.624 175.800 -0.054 0.000 1.136 202 F CA -0.444 57.527 58.000 -0.048 0.000 1.171 202 F CB 1.015 40.005 39.000 -0.015 0.000 1.230 202 F HN 0.483 nan 8.300 nan 0.000 0.554 203 A N 1.345 124.182 122.820 0.027 0.000 2.276 203 A HA 0.664 4.983 4.320 -0.002 0.000 0.316 203 A C -0.603 177.005 177.584 0.041 0.000 1.229 203 A CA -0.513 51.501 52.037 -0.038 0.000 0.851 203 A CB -0.100 18.733 19.000 -0.278 0.000 1.165 203 A HN 0.977 nan 8.150 nan 0.000 0.513 204 C N 1.518 121.039 119.300 0.369 0.000 3.044 204 C HA 0.916 5.375 4.460 -0.002 0.000 0.315 204 C C -0.730 174.607 174.990 0.578 0.000 1.320 204 C CA -0.726 58.630 59.018 0.564 0.000 1.582 204 C CB 1.133 29.106 27.740 0.389 0.000 2.039 204 C HN 1.053 nan 8.230 nan 0.000 0.466 205 Q N 1.927 121.983 119.800 0.428 0.000 2.356 205 Q HA 0.487 4.825 4.340 -0.002 0.000 0.270 205 Q C -0.937 175.213 176.000 0.251 0.000 1.058 205 Q CA -0.669 55.292 55.803 0.263 0.000 0.802 205 Q CB 1.712 30.456 28.738 0.009 0.000 1.303 205 Q HN 0.897 nan 8.270 nan 0.000 0.444 206 M N 4.004 123.777 119.600 0.287 0.000 2.268 206 M HA 0.044 4.522 4.480 -0.002 0.000 0.349 206 M C 0.104 176.367 176.300 -0.061 0.000 1.485 206 M CA 0.825 56.148 55.300 0.038 0.000 1.094 206 M CB 0.436 33.173 32.600 0.228 0.000 1.843 206 M HN 0.884 nan 8.290 nan 0.000 0.460 207 K N 3.502 123.758 120.400 -0.241 0.000 2.097 207 K HA -0.123 4.196 4.320 -0.002 0.000 0.206 207 K C 1.678 178.219 176.600 -0.099 0.000 1.049 207 K CA 1.691 57.834 56.287 -0.239 0.000 0.933 207 K CB 0.001 32.167 32.500 -0.558 0.000 0.717 207 K HN 0.818 nan 8.250 nan 0.000 0.442 208 A N 0.677 123.491 122.820 -0.010 0.000 1.970 208 A HA -0.088 4.230 4.320 -0.002 0.000 0.216 208 A C 2.112 179.773 177.584 0.128 0.000 1.170 208 A CA 1.750 53.856 52.037 0.116 0.000 0.645 208 A CB -0.380 18.816 19.000 0.327 0.000 0.816 208 A HN 0.429 nan 8.150 nan 0.000 0.447 209 T N -5.612 109.020 114.554 0.129 0.000 2.990 209 T HA 0.399 4.747 4.350 -0.002 0.000 0.250 209 T C 1.404 176.136 174.700 0.054 0.000 1.041 209 T CA 1.171 63.333 62.100 0.103 0.000 1.010 209 T CB 0.144 69.088 68.868 0.128 0.000 1.003 209 T HN 1.638 nan 8.240 nan 0.000 0.499 210 G N 1.836 110.658 108.800 0.036 0.000 2.168 210 G HA2 -0.306 3.652 3.960 -0.002 0.000 0.257 210 G HA3 -0.306 3.652 3.960 -0.002 0.000 0.257 210 G C -0.072 174.822 174.900 -0.009 0.000 0.997 210 G CA 0.560 45.659 45.100 -0.002 0.000 0.708 210 G HN 0.871 nan 8.290 nan 0.000 0.520 211 K N 0.129 120.534 120.400 0.008 0.000 2.249 211 K HA 0.584 4.903 4.320 -0.002 0.000 0.280 211 K C 0.618 177.151 176.600 -0.111 0.000 1.033 211 K CA -0.744 55.492 56.287 -0.085 0.000 0.946 211 K CB 0.252 32.662 32.500 -0.149 0.000 1.005 211 K HN 0.206 nan 8.250 nan 0.000 0.469 212 L N 5.024 126.168 121.223 -0.132 0.000 2.326 212 L HA 0.330 4.669 4.340 -0.002 0.000 0.278 212 L C -0.580 176.198 176.870 -0.153 0.000 1.092 212 L CA -0.527 54.315 54.840 0.004 0.000 0.810 212 L CB 0.422 42.549 42.059 0.114 0.000 1.153 212 L HN 0.649 nan 8.230 nan 0.000 0.439 213 Y N 0.687 121.126 120.300 0.231 0.000 2.773 213 Y HA 0.737 5.285 4.550 -0.003 0.000 0.323 213 Y C 0.069 176.062 175.900 0.155 0.000 1.183 213 Y CA -1.098 57.112 58.100 0.183 0.000 1.144 213 Y CB 1.784 40.358 38.460 0.191 0.000 1.340 213 Y HN 0.511 nan 8.280 nan 0.000 0.531 214 A N 0.239 123.244 122.820 0.309 0.000 2.304 214 A HA 0.537 4.856 4.320 -0.002 0.000 0.323 214 A C -1.364 176.302 177.584 0.137 0.000 1.195 214 A CA -0.503 51.646 52.037 0.187 0.000 0.826 214 A CB 0.540 19.616 19.000 0.127 0.000 1.184 214 A HN 0.802 nan 8.150 nan 0.000 0.496 215 C N 3.658 123.034 119.300 0.126 0.000 2.225 215 C HA 0.530 4.989 4.460 -0.002 0.000 0.323 215 C C 0.406 175.450 174.990 0.090 0.000 1.164 215 C CA -0.729 58.317 59.018 0.047 0.000 1.565 215 C CB -1.136 26.610 27.740 0.010 0.000 2.124 215 C HN 0.855 nan 8.230 nan 0.000 0.461 216 K N 5.468 125.893 120.400 0.041 0.000 2.315 216 K HA 0.207 4.526 4.320 -0.002 0.000 0.291 216 K C -0.055 176.562 176.600 0.027 0.000 1.074 216 K CA 0.307 56.630 56.287 0.060 0.000 0.936 216 K CB 0.160 32.689 32.500 0.049 0.000 1.049 216 K HN 0.671 nan 8.250 nan 0.000 0.471 217 K N 5.004 125.452 120.400 0.081 0.000 2.183 217 K HA 0.290 4.609 4.320 -0.002 0.000 0.274 217 K C -0.535 176.089 176.600 0.040 0.000 1.009 217 K CA -0.541 55.760 56.287 0.022 0.000 0.888 217 K CB 1.131 33.669 32.500 0.062 0.000 1.078 217 K HN 0.468 nan 8.250 nan 0.000 0.459 218 L N 2.636 123.844 121.223 -0.025 0.000 2.307 218 L HA 0.290 4.628 4.340 -0.002 0.000 0.284 218 L C 0.287 177.148 176.870 -0.015 0.000 1.023 218 L CA -0.722 54.122 54.840 0.006 0.000 0.810 218 L CB 1.281 43.296 42.059 -0.073 0.000 1.231 218 L HN 0.654 nan 8.230 nan 0.000 0.423 219 N N 2.590 121.322 118.700 0.053 0.000 2.420 219 N HA 0.054 4.793 4.740 -0.002 0.000 0.262 219 N C 0.667 176.195 175.510 0.031 0.000 1.144 219 N CA -0.341 52.724 53.050 0.025 0.000 0.952 219 N CB 0.972 39.488 38.487 0.048 0.000 1.081 219 N HN 0.621 nan 8.380 nan 0.000 0.480 220 K N 3.076 123.432 120.400 -0.074 0.000 2.001 220 K HA -0.217 4.101 4.320 -0.002 0.000 0.214 220 K C 1.573 178.250 176.600 0.130 0.000 1.050 220 K CA 1.676 57.910 56.287 -0.087 0.000 0.934 220 K CB 0.007 32.260 32.500 -0.412 0.000 0.718 220 K HN 0.564 nan 8.250 nan 0.000 0.443 221 K N 0.517 120.967 120.400 0.084 0.000 2.074 221 K HA -0.225 4.093 4.320 -0.002 0.000 0.209 221 K C 2.339 179.017 176.600 0.129 0.000 1.048 221 K CA 1.515 57.871 56.287 0.115 0.000 0.926 221 K CB -0.214 32.326 32.500 0.066 0.000 0.713 221 K HN 0.140 nan 8.250 nan 0.000 0.444 222 R N 1.282 121.854 120.500 0.120 0.000 2.075 222 R HA -0.055 4.284 4.340 -0.002 0.000 0.232 222 R C 2.357 178.804 176.300 0.246 0.000 1.126 222 R CA 0.870 57.044 56.100 0.124 0.000 0.963 222 R CB -0.206 30.145 30.300 0.086 0.000 0.858 222 R HN 0.130 nan 8.270 nan 0.000 0.435 223 L N 0.831 122.261 121.223 0.346 0.000 2.042 223 L HA -0.243 4.096 4.340 -0.002 0.000 0.210 223 L C 2.670 179.733 176.870 0.322 0.000 1.076 223 L CA 1.780 56.885 54.840 0.440 0.000 0.749 223 L CB -0.372 41.930 42.059 0.405 0.000 0.893 223 L HN 0.289 nan 8.230 nan 0.000 0.432 224 K N 0.417 120.980 120.400 0.272 0.000 2.001 224 K HA -0.236 4.082 4.320 -0.002 0.000 0.208 224 K C 2.226 178.784 176.600 -0.069 0.000 1.048 224 K CA 1.444 57.703 56.287 -0.046 0.000 0.932 224 K CB -0.045 32.500 32.500 0.075 0.000 0.715 224 K HN 0.028 nan 8.250 nan 0.000 0.437 225 K N 0.333 120.749 120.400 0.026 0.000 2.209 225 K HA -0.108 4.210 4.320 -0.002 0.000 0.204 225 K C 1.476 178.083 176.600 0.012 0.000 1.048 225 K CA 1.227 57.518 56.287 0.007 0.000 0.940 225 K CB 0.162 32.673 32.500 0.019 0.000 0.729 225 K HN 0.128 nan 8.250 nan 0.000 0.451 226 R N 0.033 120.578 120.500 0.074 0.000 2.432 226 R HA 0.120 4.458 4.340 -0.002 0.000 0.260 226 R C -0.421 175.958 176.300 0.132 0.000 0.935 226 R CA -0.039 56.130 56.100 0.114 0.000 1.080 226 R CB 0.445 30.846 30.300 0.167 0.000 1.155 226 R HN 0.040 nan 8.270 nan 0.000 0.531 227 K N -0.110 120.297 120.400 0.010 0.000 3.257 227 K HA -0.182 4.136 4.320 -0.002 0.000 0.270 227 K C 0.714 177.310 176.600 -0.007 0.000 0.984 227 K CA 0.328 56.548 56.287 -0.111 0.000 0.739 227 K CB -1.392 31.043 32.500 -0.108 0.000 1.351 227 K HN 0.514 nan 8.250 nan 0.000 0.463 228 G N -0.772 108.070 108.800 0.071 0.000 3.042 228 G HA2 -0.058 3.900 3.960 -0.002 0.000 0.212 228 G HA3 -0.058 3.900 3.960 -0.002 0.000 0.212 228 G C 0.969 175.874 174.900 0.009 0.000 1.166 228 G CA -0.005 45.031 45.100 -0.106 0.000 0.767 228 G HN 0.478 nan 8.290 nan 0.000 0.546 229 Y N 0.422 120.640 120.300 -0.136 0.000 1.997 229 Y HA -0.413 4.136 4.550 -0.002 0.000 0.265 229 Y C 3.067 179.016 175.900 0.081 0.000 1.193 229 Y CA 1.792 59.803 58.100 -0.149 0.000 1.106 229 Y CB -0.136 37.896 38.460 -0.714 0.000 0.940 229 Y HN 0.256 nan 8.280 nan 0.000 0.494 230 Q N 0.239 120.134 119.800 0.158 0.000 2.133 230 Q HA -0.218 4.120 4.340 -0.002 0.000 0.208 230 Q C 2.362 178.442 176.000 0.133 0.000 0.991 230 Q CA 1.806 57.697 55.803 0.148 0.000 0.867 230 Q CB -0.541 28.241 28.738 0.073 0.000 0.911 230 Q HN 0.585 nan 8.270 nan 0.000 0.417 231 G N 0.075 108.912 108.800 0.063 0.000 2.404 231 G HA2 -0.189 3.769 3.960 -0.002 0.000 0.215 231 G HA3 -0.189 3.769 3.960 -0.002 0.000 0.215 231 G C 1.476 176.395 174.900 0.031 0.000 1.174 231 G CA 0.905 46.015 45.100 0.018 0.000 0.780 231 G HN 0.506 nan 8.290 nan 0.000 0.537 232 A N 0.108 122.935 122.820 0.010 0.000 1.933 232 A HA -0.015 4.303 4.320 -0.002 0.000 0.218 232 A C 2.303 180.037 177.584 0.249 0.000 1.175 232 A CA 2.282 54.361 52.037 0.070 0.000 0.628 232 A CB -0.338 18.630 19.000 -0.053 0.000 0.814 232 A HN 0.398 nan 8.150 nan 0.000 0.444 233 M N -0.553 119.215 119.600 0.281 0.000 2.123 233 M HA -0.019 4.460 4.480 -0.002 0.000 0.263 233 M C 1.958 178.345 176.300 0.146 0.000 1.069 233 M CA 1.606 57.066 55.300 0.267 0.000 1.133 233 M CB -0.658 32.147 32.600 0.343 0.000 1.356 233 M HN 0.091 nan 8.290 nan 0.000 0.415 234 V N 0.387 120.379 119.914 0.130 0.000 2.287 234 V HA -0.301 3.818 4.120 -0.002 0.000 0.248 234 V C 2.357 178.494 176.094 0.071 0.000 1.053 234 V CA 2.354 64.707 62.300 0.088 0.000 1.027 234 V CB -0.797 31.078 31.823 0.087 0.000 0.646 234 V HN 0.650 nan 8.190 nan 0.000 0.447 235 E N 0.007 120.255 120.200 0.081 0.000 2.097 235 E HA -0.292 4.056 4.350 -0.002 0.000 0.196 235 E C 2.365 178.986 176.600 0.036 0.000 1.000 235 E CA 1.708 58.148 56.400 0.067 0.000 0.804 235 E CB -0.177 29.569 29.700 0.077 0.000 0.740 235 E HN 0.463 nan 8.360 nan 0.000 0.454 236 K N 0.897 121.316 120.400 0.031 0.000 2.007 236 K HA -0.159 4.159 4.320 -0.002 0.000 0.206 236 K C 1.964 178.506 176.600 -0.097 0.000 1.047 236 K CA 1.437 57.676 56.287 -0.080 0.000 0.937 236 K CB -0.053 32.304 32.500 -0.239 0.000 0.718 236 K HN 0.032 nan 8.250 nan 0.000 0.438 237 K N 0.583 120.945 120.400 -0.063 0.000 2.103 237 K HA -0.076 4.243 4.320 -0.002 0.000 0.207 237 K C 2.200 178.784 176.600 -0.026 0.000 1.048 237 K CA 1.182 57.438 56.287 -0.051 0.000 0.930 237 K CB -0.046 32.441 32.500 -0.022 0.000 0.716 237 K HN 0.182 nan 8.250 nan 0.000 0.444 238 I N 1.070 121.638 120.570 -0.004 0.000 2.233 238 I HA -0.217 3.951 4.170 -0.002 0.000 0.243 238 I C 2.238 178.354 176.117 -0.003 0.000 1.093 238 I CA 1.301 62.606 61.300 0.008 0.000 1.380 238 I CB -0.633 37.382 38.000 0.024 0.000 1.067 238 I HN 0.187 nan 8.210 nan 0.000 0.413 239 L N 0.619 121.834 121.223 -0.014 0.000 2.191 239 L HA -0.160 4.178 4.340 -0.002 0.000 0.212 239 L C 2.776 179.631 176.870 -0.025 0.000 1.103 239 L CA 1.006 55.834 54.840 -0.019 0.000 0.769 239 L CB -0.585 41.461 42.059 -0.022 0.000 0.908 239 L HN 0.199 nan 8.230 nan 0.000 0.438 240 A N 1.184 123.975 122.820 -0.049 0.000 1.873 240 A HA -0.199 4.120 4.320 -0.002 0.000 0.215 240 A C 2.349 179.914 177.584 -0.032 0.000 1.186 240 A CA 1.775 53.774 52.037 -0.063 0.000 0.616 240 A CB -0.302 18.639 19.000 -0.099 0.000 0.823 240 A HN 0.481 nan 8.150 nan 0.000 0.442 241 K N 0.088 120.479 120.400 -0.016 0.000 2.243 241 K HA 0.092 4.410 4.320 -0.002 0.000 0.201 241 K C 0.578 177.204 176.600 0.044 0.000 1.051 241 K CA 0.893 57.181 56.287 0.002 0.000 0.970 241 K CB -0.722 31.776 32.500 -0.002 0.000 0.755 241 K HN 0.422 nan 8.250 nan 0.000 0.465 242 V N 0.307 120.261 119.914 0.066 0.000 2.567 242 V HA 0.331 4.449 4.120 -0.002 0.000 0.289 242 V C -1.277 174.915 176.094 0.163 0.000 1.049 242 V CA -0.698 61.685 62.300 0.137 0.000 0.969 242 V CB 0.968 32.872 31.823 0.135 0.000 0.995 242 V HN 0.347 nan 8.190 nan 0.000 0.471 243 H N 2.771 121.883 119.070 0.069 0.000 3.036 243 H HA 0.686 5.240 4.556 -0.002 0.000 0.295 243 H C -0.651 174.544 175.328 -0.222 0.000 1.124 243 H CA 0.608 56.627 56.048 -0.047 0.000 1.507 243 H CB 0.880 30.635 29.762 -0.012 0.000 1.591 243 H HN 1.131 nan 8.280 nan 0.000 0.510 244 S N 3.269 118.608 115.700 -0.602 0.000 2.546 244 S HA 0.266 4.735 4.470 -0.002 0.000 0.274 244 S C 1.014 175.253 174.600 -0.602 0.000 1.121 244 S CA -0.785 56.981 58.200 -0.724 0.000 0.887 244 S CB 1.122 63.774 63.200 -0.913 0.000 1.094 244 S HN 0.853 nan 8.310 nan 0.000 0.474 245 R N 1.604 121.673 120.500 -0.718 0.000 2.237 245 R HA 0.058 4.396 4.340 -0.002 0.000 0.219 245 R C 0.106 175.978 176.300 -0.714 0.000 1.080 245 R CA 1.588 57.239 56.100 -0.748 0.000 0.995 245 R CB -0.559 29.227 30.300 -0.857 0.000 0.875 245 R HN 0.534 nan 8.270 nan 0.000 0.462 246 F N 0.977 120.824 119.950 -0.172 0.000 2.664 246 F HA 0.451 4.976 4.527 -0.002 0.000 0.303 246 F C 0.473 176.192 175.800 -0.135 0.000 1.092 246 F CA -0.623 57.305 58.000 -0.120 0.000 1.305 246 F CB 0.353 39.293 39.000 -0.100 0.000 1.054 246 F HN -0.111 nan 8.300 nan 0.000 0.565 247 I N 0.686 121.210 120.570 -0.077 0.000 2.608 247 I HA 0.301 4.469 4.170 -0.002 0.000 0.295 247 I C -0.288 175.778 176.117 -0.085 0.000 1.049 247 I CA -1.653 59.592 61.300 -0.091 0.000 1.063 247 I CB 2.281 40.206 38.000 -0.125 0.000 1.248 247 I HN -0.297 nan 8.210 nan 0.000 0.424 248 V N 2.146 122.033 119.914 -0.045 0.000 2.763 248 V HA 0.228 4.346 4.120 -0.002 0.000 0.306 248 V C 0.289 176.377 176.094 -0.010 0.000 1.059 248 V CA 0.088 62.381 62.300 -0.011 0.000 1.138 248 V CB 0.952 32.785 31.823 0.017 0.000 0.940 248 V HN 0.744 nan 8.190 nan 0.000 0.489 249 S N 5.045 120.759 115.700 0.022 0.000 2.437 249 S HA 0.591 5.059 4.470 -0.002 0.000 0.305 249 S C -0.437 174.189 174.600 0.044 0.000 1.109 249 S CA -0.457 57.772 58.200 0.048 0.000 1.099 249 S CB 1.147 64.405 63.200 0.096 0.000 1.004 249 S HN 0.850 nan 8.310 nan 0.000 0.475 250 L N 3.860 125.087 121.223 0.006 0.000 2.367 250 L HA 0.500 4.838 4.340 -0.002 0.000 0.275 250 L C 0.828 177.653 176.870 -0.075 0.000 1.129 250 L CA 0.384 55.199 54.840 -0.042 0.000 0.839 250 L CB 0.670 42.685 42.059 -0.073 0.000 1.133 250 L HN 0.798 nan 8.230 nan 0.000 0.453 251 A N 4.123 126.866 122.820 -0.129 0.000 1.938 251 A HA 0.279 4.597 4.320 -0.002 0.000 0.207 251 A C -0.257 177.045 177.584 -0.469 0.000 1.292 251 A CA 0.553 52.417 52.037 -0.289 0.000 0.700 251 A CB -0.031 18.774 19.000 -0.325 0.000 0.947 251 A HN 0.615 nan 8.150 nan 0.000 0.476 252 Y N -2.115 118.093 120.300 -0.154 0.000 2.605 252 Y HA 0.696 5.245 4.550 -0.003 0.000 0.343 252 Y C -0.150 175.683 175.900 -0.113 0.000 1.036 252 Y CA -0.998 57.058 58.100 -0.073 0.000 1.065 252 Y CB 1.898 40.380 38.460 0.038 0.000 1.288 252 Y HN 0.282 nan 8.280 nan 0.000 0.481 253 A N 2.264 125.155 122.820 0.119 0.000 2.509 253 A HA 0.741 5.059 4.320 -0.002 0.000 0.282 253 A C -1.572 176.037 177.584 0.041 0.000 1.054 253 A CA -0.539 51.434 52.037 -0.107 0.000 0.820 253 A CB 0.044 18.835 19.000 -0.350 0.000 1.333 253 A HN 0.767 nan 8.150 nan 0.000 0.409 254 F N 0.395 120.348 119.950 0.005 0.000 2.923 254 F HA 0.895 5.421 4.527 -0.002 0.000 0.323 254 F C -0.627 175.229 175.800 0.093 0.000 1.189 254 F CA -0.862 57.164 58.000 0.043 0.000 0.930 254 F CB 1.016 40.034 39.000 0.030 0.000 1.414 254 F HN 0.576 nan 8.300 nan 0.000 0.496 255 E N 0.083 120.480 120.200 0.328 0.000 2.317 255 E HA 0.567 4.915 4.350 -0.002 0.000 0.270 255 E C -1.260 175.465 176.600 0.208 0.000 0.885 255 E CA -0.913 55.567 56.400 0.134 0.000 0.760 255 E CB 2.388 32.119 29.700 0.050 0.000 1.227 255 E HN 0.880 nan 8.360 nan 0.000 0.434 256 T N -1.093 113.511 114.554 0.082 0.000 2.880 256 T HA 0.254 4.603 4.350 -0.002 0.000 0.279 256 T C 0.997 175.694 174.700 -0.005 0.000 0.990 256 T CA -0.588 61.554 62.100 0.070 0.000 0.938 256 T CB 1.459 70.355 68.868 0.046 0.000 1.206 256 T HN 0.647 nan 8.240 nan 0.000 0.573 257 K N -0.368 120.031 120.400 -0.002 0.000 2.148 257 K HA -0.095 4.224 4.320 -0.002 0.000 0.204 257 K C 2.062 178.618 176.600 -0.072 0.000 1.050 257 K CA 1.808 58.079 56.287 -0.026 0.000 0.942 257 K CB -0.490 32.010 32.500 0.000 0.000 0.724 257 K HN 0.824 nan 8.250 nan 0.000 0.446 258 T N -2.530 111.984 114.554 -0.067 0.000 3.014 258 T HA 0.110 4.458 4.350 -0.002 0.000 0.250 258 T C 0.144 174.771 174.700 -0.121 0.000 1.060 258 T CA -0.335 61.718 62.100 -0.078 0.000 1.040 258 T CB 0.288 69.137 68.868 -0.032 0.000 0.971 258 T HN -0.067 nan 8.240 nan 0.000 0.497 259 D N 0.382 120.700 120.400 -0.137 0.000 2.477 259 D HA 0.570 5.209 4.640 -0.002 0.000 0.234 259 D C -1.059 175.098 176.300 -0.238 0.000 1.048 259 D CA -0.650 53.252 54.000 -0.162 0.000 0.959 259 D CB 2.100 42.837 40.800 -0.105 0.000 1.408 259 D HN 0.181 nan 8.370 nan 0.000 0.496 260 L N 0.833 121.888 121.223 -0.281 0.000 2.305 260 L HA 0.472 4.810 4.340 -0.002 0.000 0.284 260 L C -0.747 175.982 176.870 -0.236 0.000 1.013 260 L CA -0.656 53.988 54.840 -0.325 0.000 0.819 260 L CB 1.471 43.099 42.059 -0.719 0.000 1.227 260 L HN 0.237 nan 8.230 nan 0.000 0.417 261 C N 4.701 123.831 119.300 -0.283 0.000 2.345 261 C HA 0.558 5.016 4.460 -0.002 0.000 0.323 261 C C 0.142 174.876 174.990 -0.426 0.000 1.276 261 C CA -0.792 57.936 59.018 -0.482 0.000 1.543 261 C CB 1.042 28.180 27.740 -1.004 0.000 2.211 261 C HN 0.604 nan 8.230 nan 0.000 0.493 262 L N 3.846 124.943 121.223 -0.210 0.000 2.280 262 L HA 0.514 4.852 4.340 -0.002 0.000 0.287 262 L C -0.456 176.318 176.870 -0.161 0.000 1.023 262 L CA -0.313 54.442 54.840 -0.142 0.000 0.819 262 L CB 1.202 43.253 42.059 -0.014 0.000 1.212 262 L HN 0.429 nan 8.230 nan 0.000 0.420 263 V N 5.510 125.313 119.914 -0.184 0.000 2.407 263 V HA 0.497 4.616 4.120 -0.002 0.000 0.278 263 V C 0.286 176.308 176.094 -0.121 0.000 1.037 263 V CA -0.312 61.873 62.300 -0.192 0.000 0.900 263 V CB 1.284 32.881 31.823 -0.377 0.000 0.983 263 V HN 0.836 nan 8.190 nan 0.000 0.459 264 M N 2.300 121.892 119.600 -0.013 0.000 2.843 264 M HA 0.599 5.077 4.480 -0.002 0.000 0.273 264 M C -0.376 176.083 176.300 0.265 0.000 1.286 264 M CA -0.685 54.661 55.300 0.077 0.000 0.807 264 M CB 2.041 34.672 32.600 0.051 0.000 1.684 264 M HN 0.312 nan 8.290 nan 0.000 0.458 265 T N 2.277 116.972 114.554 0.235 0.000 2.866 265 T HA 0.170 4.518 4.350 -0.002 0.000 0.293 265 T C 0.063 174.869 174.700 0.177 0.000 1.005 265 T CA 0.097 62.334 62.100 0.228 0.000 1.162 265 T CB -0.476 68.462 68.868 0.117 0.000 0.968 265 T HN 0.506 nan 8.240 nan 0.000 0.530 266 I N 4.098 124.769 120.570 0.169 0.000 2.529 266 I HA 0.171 4.340 4.170 -0.002 0.000 0.284 266 I C -0.014 176.154 176.117 0.085 0.000 1.082 266 I CA -0.283 61.092 61.300 0.125 0.000 1.406 266 I CB 0.372 38.443 38.000 0.118 0.000 1.405 266 I HN 0.470 nan 8.210 nan 0.000 0.548 267 M N 7.743 127.387 119.600 0.074 0.000 1.998 267 M HA 0.266 4.745 4.480 -0.002 0.000 0.289 267 M C 0.129 176.464 176.300 0.058 0.000 0.886 267 M CA -0.142 55.197 55.300 0.065 0.000 0.853 267 M CB 0.480 33.117 32.600 0.063 0.000 1.462 267 M HN 0.565 nan 8.290 nan 0.000 0.375 268 N N 0.727 119.463 118.700 0.061 0.000 2.467 268 N HA 0.014 4.752 4.740 -0.002 0.000 0.184 268 N C 1.489 177.046 175.510 0.079 0.000 1.106 268 N CA 0.428 53.510 53.050 0.054 0.000 0.892 268 N CB 0.763 39.283 38.487 0.055 0.000 0.969 268 N HN 0.755 nan 8.380 nan 0.000 0.454 269 G N 0.584 109.452 108.800 0.114 0.000 2.744 269 G HA2 0.254 4.212 3.960 -0.002 0.000 0.211 269 G HA3 0.254 4.212 3.960 -0.002 0.000 0.211 269 G C 0.823 175.895 174.900 0.287 0.000 1.143 269 G CA 0.452 45.674 45.100 0.204 0.000 0.788 269 G HN 0.439 nan 8.290 nan 0.000 0.534 270 G N 0.367 109.249 108.800 0.136 0.000 2.829 270 G HA2 0.011 3.969 3.960 -0.002 0.000 0.628 270 G HA3 0.011 3.969 3.960 -0.002 0.000 0.628 270 G C -0.320 174.683 174.900 0.172 0.000 1.412 270 G CA -0.104 45.038 45.100 0.070 0.000 0.864 270 G HN 0.860 nan 8.290 nan 0.000 0.544 271 D N -1.044 119.443 120.400 0.144 0.000 2.354 271 D HA 0.516 5.155 4.640 -0.002 0.000 0.247 271 D C 1.762 178.235 176.300 0.288 0.000 1.138 271 D CA -0.615 53.490 54.000 0.175 0.000 0.958 271 D CB 0.771 41.648 40.800 0.128 0.000 1.144 271 D HN 0.414 nan 8.370 nan 0.000 0.458 272 I N -0.368 120.327 120.570 0.208 0.000 2.394 272 I HA -0.187 3.981 4.170 -0.002 0.000 0.251 272 I C 2.525 178.783 176.117 0.236 0.000 1.136 272 I CA 0.809 62.257 61.300 0.247 0.000 1.425 272 I CB -0.298 37.797 38.000 0.158 0.000 1.079 272 I HN 0.517 nan 8.210 nan 0.000 0.425 273 R N 0.717 121.330 120.500 0.189 0.000 2.082 273 R HA -0.276 4.062 4.340 -0.002 0.000 0.234 273 R C 2.597 179.009 176.300 0.187 0.000 1.136 273 R CA 2.031 58.234 56.100 0.172 0.000 0.935 273 R CB -0.723 29.715 30.300 0.230 0.000 0.842 273 R HN 0.274 nan 8.270 nan 0.000 0.430 274 Y N 0.772 121.135 120.300 0.104 0.000 2.139 274 Y HA -0.361 4.188 4.550 -0.002 0.000 0.282 274 Y C 2.154 178.037 175.900 -0.028 0.000 1.179 274 Y CA 2.273 60.394 58.100 0.035 0.000 1.161 274 Y CB -0.337 38.093 38.460 -0.049 0.000 0.970 274 Y HN 0.291 nan 8.280 nan 0.000 0.511 275 H N -0.472 118.641 119.070 0.072 0.000 2.428 275 H HA -0.070 4.485 4.556 -0.002 0.000 0.296 275 H C 2.440 177.674 175.328 -0.157 0.000 1.062 275 H CA 1.751 57.805 56.048 0.010 0.000 1.350 275 H CB -0.148 29.763 29.762 0.248 0.000 1.403 275 H HN 0.428 nan 8.280 nan 0.000 0.533 276 I N 0.038 120.426 120.570 -0.305 0.000 2.286 276 I HA -0.293 3.875 4.170 -0.002 0.000 0.248 276 I C 1.188 176.888 176.117 -0.695 0.000 1.115 276 I CA 1.511 62.313 61.300 -0.829 0.000 1.392 276 I CB -0.199 37.157 38.000 -1.073 0.000 1.065 276 I HN 0.196 nan 8.210 nan 0.000 0.418 277 Y N -0.773 119.400 120.300 -0.212 0.000 2.507 277 Y HA 0.171 4.720 4.550 -0.002 0.000 0.254 277 Y C 1.159 176.916 175.900 -0.238 0.000 1.171 277 Y CA -0.197 57.791 58.100 -0.187 0.000 1.238 277 Y CB 0.167 38.547 38.460 -0.134 0.000 1.148 277 Y HN 0.141 nan 8.280 nan 0.000 0.525 278 N N -2.485 116.068 118.700 -0.244 0.000 2.011 278 N HA 0.030 4.769 4.740 -0.002 0.000 0.228 278 N C 1.017 176.404 175.510 -0.205 0.000 1.378 278 N CA 0.102 52.963 53.050 -0.315 0.000 0.852 278 N CB 0.473 38.532 38.487 -0.713 0.000 1.111 278 N HN -0.066 nan 8.380 nan 0.000 0.497 279 V N 0.340 120.173 119.914 -0.135 0.000 2.626 279 V HA -0.058 4.061 4.120 -0.002 0.000 0.252 279 V C 0.025 176.117 176.094 -0.003 0.000 1.067 279 V CA 1.508 63.796 62.300 -0.019 0.000 1.081 279 V CB -0.140 31.671 31.823 -0.019 0.000 0.686 279 V HN 0.307 nan 8.190 nan 0.000 0.468 280 D N -1.720 118.662 120.400 -0.030 0.000 2.369 280 D HA 0.160 4.799 4.640 -0.002 0.000 0.212 280 D C 0.191 176.478 176.300 -0.021 0.000 1.326 280 D CA -0.183 53.809 54.000 -0.013 0.000 0.933 280 D CB 1.547 42.346 40.800 -0.001 0.000 1.516 280 D HN 0.052 nan 8.370 nan 0.000 0.557 281 E N 0.770 120.963 120.200 -0.011 0.000 2.285 281 E HA -0.041 4.307 4.350 -0.002 0.000 0.194 281 E C 0.866 177.470 176.600 0.006 0.000 0.997 281 E CA 0.812 57.213 56.400 0.001 0.000 0.845 281 E CB 0.413 30.113 29.700 -0.000 0.000 0.782 281 E HN 0.364 nan 8.360 nan 0.000 0.491 282 D N 0.209 120.610 120.400 0.002 0.000 2.103 282 D HA -0.027 4.611 4.640 -0.002 0.000 0.199 282 D C 0.331 176.629 176.300 -0.003 0.000 0.978 282 D CA 0.907 54.908 54.000 0.001 0.000 0.829 282 D CB 0.047 40.849 40.800 0.002 0.000 0.981 282 D HN 0.008 nan 8.370 nan 0.000 0.464 283 N N 1.464 120.158 118.700 -0.010 0.000 3.012 283 N HA 0.177 4.915 4.740 -0.002 0.000 0.270 283 N C -2.553 172.932 175.510 -0.041 0.000 1.469 283 N CA -0.848 52.189 53.050 -0.021 0.000 0.928 283 N CB 1.928 40.404 38.487 -0.018 0.000 1.219 283 N HN 0.158 nan 8.380 nan 0.000 0.492 284 P HA 0.267 nan 4.420 nan 0.000 0.275 284 P C 0.552 177.750 177.300 -0.171 0.000 1.266 284 P CA 0.480 63.517 63.100 -0.106 0.000 0.793 284 P CB 0.830 32.508 31.700 -0.036 0.000 1.074 285 G N -1.091 107.512 108.800 -0.328 0.000 2.699 285 G HA2 -0.097 3.861 3.960 -0.002 0.000 0.686 285 G HA3 -0.097 3.861 3.960 -0.002 0.000 0.686 285 G C -0.996 173.735 174.900 -0.282 0.000 1.301 285 G CA -0.875 44.000 45.100 -0.374 0.000 0.816 285 G HN 0.351 nan 8.290 nan 0.000 0.595 286 F N 0.178 120.043 119.950 -0.143 0.000 2.457 286 F HA 0.555 5.080 4.527 -0.002 0.000 0.330 286 F C 1.234 176.951 175.800 -0.140 0.000 1.069 286 F CA -1.021 56.905 58.000 -0.123 0.000 1.009 286 F CB 1.245 40.199 39.000 -0.077 0.000 1.276 286 F HN 0.407 nan 8.300 nan 0.000 0.492 287 Q N 0.784 120.637 119.800 0.089 0.000 2.260 287 Q HA 0.067 4.406 4.340 -0.002 0.000 0.242 287 Q C 0.827 176.801 176.000 -0.044 0.000 0.932 287 Q CA -0.273 55.518 55.803 -0.020 0.000 0.891 287 Q CB 1.777 30.492 28.738 -0.039 0.000 1.222 287 Q HN 0.730 nan 8.270 nan 0.000 0.453 288 E N 1.978 122.129 120.200 -0.082 0.000 2.033 288 E HA -0.217 4.131 4.350 -0.002 0.000 0.199 288 E C -0.927 175.616 176.600 -0.094 0.000 1.011 288 E CA 1.621 57.963 56.400 -0.096 0.000 0.815 288 E CB -0.546 29.087 29.700 -0.111 0.000 0.755 288 E HN 0.438 nan 8.360 nan 0.000 0.451 289 P HA -0.201 nan 4.420 nan 0.000 0.217 289 P C 0.998 178.218 177.300 -0.133 0.000 1.148 289 P CA 1.360 64.396 63.100 -0.106 0.000 0.828 289 P CB -0.114 31.523 31.700 -0.105 0.000 0.783 290 R N -0.147 120.236 120.500 -0.196 0.000 2.070 290 R HA -0.105 4.233 4.340 -0.002 0.000 0.233 290 R C 2.155 178.248 176.300 -0.344 0.000 1.137 290 R CA 1.751 57.623 56.100 -0.380 0.000 0.945 290 R CB -0.950 29.087 30.300 -0.440 0.000 0.845 290 R HN 0.062 nan 8.270 nan 0.000 0.430 291 A N 1.249 124.015 122.820 -0.090 0.000 1.908 291 A HA -0.177 4.141 4.320 -0.002 0.000 0.218 291 A C 2.189 179.820 177.584 0.079 0.000 1.181 291 A CA 1.617 53.723 52.037 0.115 0.000 0.627 291 A CB -0.618 18.477 19.000 0.157 0.000 0.818 291 A HN 0.402 nan 8.150 nan 0.000 0.445 292 I N -2.082 118.481 120.570 -0.011 0.000 2.286 292 I HA -0.239 3.929 4.170 -0.002 0.000 0.248 292 I C 2.334 178.502 176.117 0.085 0.000 1.115 292 I CA 1.500 62.785 61.300 -0.025 0.000 1.392 292 I CB -0.357 37.563 38.000 -0.133 0.000 1.065 292 I HN 0.454 nan 8.210 nan 0.000 0.418 293 F N 1.372 121.227 119.950 -0.158 0.000 2.031 293 F HA -0.299 4.226 4.527 -0.003 0.000 0.295 293 F C 2.425 178.191 175.800 -0.057 0.000 1.133 293 F CA 1.812 59.697 58.000 -0.192 0.000 1.188 293 F CB -0.550 38.220 39.000 -0.384 0.000 0.974 293 F HN -0.052 nan 8.300 nan 0.000 0.473 294 Y N 0.700 121.108 120.300 0.181 0.000 2.207 294 Y HA -0.205 4.343 4.550 -0.002 0.000 0.287 294 Y C 2.713 178.649 175.900 0.061 0.000 1.156 294 Y CA 1.511 59.671 58.100 0.100 0.000 1.182 294 Y CB -1.825 36.724 38.460 0.149 0.000 0.979 294 Y HN 0.071 nan 8.280 nan 0.000 0.521 295 T N 0.124 114.848 114.554 0.284 0.000 2.684 295 T HA -0.251 4.098 4.350 -0.002 0.000 0.267 295 T C 2.288 177.121 174.700 0.221 0.000 1.036 295 T CA 1.606 63.888 62.100 0.304 0.000 1.148 295 T CB -0.769 68.323 68.868 0.374 0.000 0.863 295 T HN 0.436 nan 8.240 nan 0.000 0.436 296 A N 1.644 124.546 122.820 0.136 0.000 1.892 296 A HA -0.247 4.072 4.320 -0.002 0.000 0.218 296 A C 2.330 179.791 177.584 -0.206 0.000 1.188 296 A CA 1.891 53.872 52.037 -0.092 0.000 0.631 296 A CB -0.793 17.972 19.000 -0.392 0.000 0.822 296 A HN 0.592 nan 8.150 nan 0.000 0.447 297 Q N -0.706 118.891 119.800 -0.338 0.000 2.061 297 Q HA -0.154 4.184 4.340 -0.002 0.000 0.204 297 Q C 2.156 177.908 176.000 -0.415 0.000 0.984 297 Q CA 1.640 57.106 55.803 -0.562 0.000 0.846 297 Q CB -0.384 28.201 28.738 -0.255 0.000 0.902 297 Q HN 0.754 nan 8.270 nan 0.000 0.421 298 I N 0.220 120.733 120.570 -0.095 0.000 2.208 298 I HA -0.290 3.879 4.170 -0.002 0.000 0.245 298 I C 2.330 178.436 176.117 -0.018 0.000 1.097 298 I CA 0.890 62.194 61.300 0.005 0.000 1.363 298 I CB -0.385 37.693 38.000 0.130 0.000 1.051 298 I HN 0.030 nan 8.210 nan 0.000 0.413 299 V N 0.473 120.399 119.914 0.019 0.000 2.231 299 V HA -0.341 3.778 4.120 -0.002 0.000 0.248 299 V C 2.546 178.610 176.094 -0.050 0.000 1.054 299 V CA 2.465 64.803 62.300 0.062 0.000 1.015 299 V CB -0.802 31.077 31.823 0.093 0.000 0.638 299 V HN 0.428 nan 8.190 nan 0.000 0.444 300 S N 0.606 116.187 115.700 -0.199 0.000 2.365 300 S HA -0.216 4.252 4.470 -0.002 0.000 0.225 300 S C 2.054 176.615 174.600 -0.064 0.000 1.039 300 S CA 1.568 59.639 58.200 -0.216 0.000 1.033 300 S CB -0.974 61.889 63.200 -0.561 0.000 0.887 300 S HN 0.723 nan 8.310 nan 0.000 0.447 301 G N 1.557 110.295 108.800 -0.104 0.000 2.418 301 G HA2 -0.121 3.838 3.960 -0.002 0.000 0.217 301 G HA3 -0.121 3.838 3.960 -0.002 0.000 0.217 301 G C 1.363 176.215 174.900 -0.080 0.000 1.158 301 G CA 0.656 45.772 45.100 0.026 0.000 0.771 301 G HN 0.434 nan 8.290 nan 0.000 0.545 302 L N 0.095 121.231 121.223 -0.146 0.000 2.046 302 L HA -0.090 4.248 4.340 -0.002 0.000 0.208 302 L C 2.786 179.327 176.870 -0.549 0.000 1.077 302 L CA 1.659 56.278 54.840 -0.370 0.000 0.747 302 L CB -0.391 41.501 42.059 -0.278 0.000 0.896 302 L HN 0.374 nan 8.230 nan 0.000 0.432 303 E N -0.339 119.772 120.200 -0.150 0.000 2.038 303 E HA -0.332 4.017 4.350 -0.002 0.000 0.195 303 E C 2.134 178.717 176.600 -0.028 0.000 1.000 303 E CA 1.747 58.166 56.400 0.033 0.000 0.803 303 E CB -0.102 29.681 29.700 0.138 0.000 0.750 303 E HN 0.491 nan 8.360 nan 0.000 0.448 304 H N 0.130 119.151 119.070 -0.081 0.000 2.353 304 H HA -0.124 4.430 4.556 -0.003 0.000 0.298 304 H C 2.107 177.364 175.328 -0.117 0.000 1.103 304 H CA 2.077 58.093 56.048 -0.054 0.000 1.293 304 H CB -0.081 29.673 29.762 -0.013 0.000 1.372 304 H HN 0.156 nan 8.280 nan 0.000 0.501 305 L N -1.098 120.066 121.223 -0.098 0.000 2.056 305 L HA -0.179 4.160 4.340 -0.002 0.000 0.207 305 L C 2.302 179.066 176.870 -0.177 0.000 1.078 305 L CA 1.580 56.345 54.840 -0.125 0.000 0.749 305 L CB -0.517 41.456 42.059 -0.143 0.000 0.901 305 L HN 0.510 nan 8.230 nan 0.000 0.433 306 H N -0.828 117.979 119.070 -0.438 0.000 2.357 306 H HA -0.160 4.395 4.556 -0.002 0.000 0.301 306 H C 2.278 177.006 175.328 -1.000 0.000 1.082 306 H CA 0.841 56.206 56.048 -1.139 0.000 1.342 306 H CB 0.082 28.696 29.762 -1.914 0.000 1.389 306 H HN 0.356 nan 8.280 nan 0.000 0.511 307 Q N 0.616 120.183 119.800 -0.389 0.000 2.308 307 Q HA -0.100 4.239 4.340 -0.002 0.000 0.209 307 Q C 0.886 176.822 176.000 -0.107 0.000 0.985 307 Q CA 1.034 56.788 55.803 -0.083 0.000 0.881 307 Q CB 0.197 28.928 28.738 -0.012 0.000 0.917 307 Q HN 0.420 nan 8.270 nan 0.000 0.443 308 R N 0.278 120.693 120.500 -0.142 0.000 2.831 308 R HA 0.190 4.528 4.340 -0.002 0.000 0.337 308 R C -0.444 175.861 176.300 0.009 0.000 1.200 308 R CA -0.160 55.900 56.100 -0.067 0.000 1.088 308 R CB -0.178 30.070 30.300 -0.086 0.000 1.397 308 R HN 0.284 nan 8.270 nan 0.000 0.581 309 N N 1.167 119.895 118.700 0.048 0.000 2.710 309 N HA -0.207 4.532 4.740 -0.002 0.000 0.249 309 N C -0.821 174.840 175.510 0.252 0.000 1.059 309 N CA 0.512 53.700 53.050 0.231 0.000 0.720 309 N CB -0.544 38.036 38.487 0.155 0.000 0.983 309 N HN 0.312 nan 8.380 nan 0.000 0.544 310 I N 1.119 121.842 120.570 0.255 0.000 2.474 310 I HA 0.439 4.608 4.170 -0.002 0.000 0.294 310 I C 0.196 176.535 176.117 0.369 0.000 1.005 310 I CA -0.660 60.776 61.300 0.227 0.000 1.113 310 I CB 1.794 39.868 38.000 0.123 0.000 1.289 310 I HN -0.039 nan 8.210 nan 0.000 0.436 311 I N 5.476 126.222 120.570 0.293 0.000 2.362 311 I HA 0.141 4.310 4.170 -0.002 0.000 0.289 311 I C 0.357 176.654 176.117 0.300 0.000 0.994 311 I CA -0.631 60.865 61.300 0.327 0.000 1.158 311 I CB 1.417 39.553 38.000 0.225 0.000 1.315 311 I HN 0.626 nan 8.210 nan 0.000 0.451 312 Y N 6.751 127.139 120.300 0.148 0.000 2.145 312 Y HA -0.151 4.398 4.550 -0.002 0.000 0.286 312 Y C 1.807 177.745 175.900 0.063 0.000 1.145 312 Y CA 1.379 59.526 58.100 0.078 0.000 1.148 312 Y CB -0.059 38.427 38.460 0.044 0.000 0.981 312 Y HN 0.602 nan 8.280 nan 0.000 0.507 313 R N -0.314 120.240 120.500 0.090 0.000 4.010 313 R HA -0.258 4.081 4.340 -0.002 0.000 0.409 313 R C -0.386 175.783 176.300 -0.219 0.000 1.120 313 R CA 1.342 57.413 56.100 -0.049 0.000 1.244 313 R CB -1.853 28.470 30.300 0.038 0.000 1.799 313 R HN 0.429 nan 8.270 nan 0.000 0.559 314 D N -0.114 119.954 120.400 -0.553 0.000 2.996 314 D HA 0.118 4.756 4.640 -0.002 0.000 0.343 314 D C -0.997 174.719 176.300 -0.973 0.000 1.574 314 D CA -0.398 53.245 54.000 -0.595 0.000 0.773 314 D CB 0.363 40.962 40.800 -0.336 0.000 1.241 314 D HN 0.040 nan 8.370 nan 0.000 0.469 315 L N 2.240 122.888 121.223 -0.959 0.000 2.410 315 L HA 0.433 4.771 4.340 -0.002 0.000 0.273 315 L C -0.291 176.336 176.870 -0.405 0.000 1.152 315 L CA 0.702 55.217 54.840 -0.541 0.000 0.855 315 L CB -0.138 41.844 42.059 -0.128 0.000 1.129 315 L HN 0.252 nan 8.230 nan 0.000 0.463 316 K N 2.922 123.107 120.400 -0.359 0.000 2.660 316 K HA 0.402 4.721 4.320 -0.002 0.000 0.285 316 K C -2.874 173.616 176.600 -0.182 0.000 0.997 316 K CA -1.331 54.611 56.287 -0.575 0.000 0.861 316 K CB 0.521 32.185 32.500 -1.393 0.000 1.469 316 K HN 0.081 nan 8.250 nan 0.000 0.395 317 P HA -0.268 nan 4.420 nan 0.000 0.216 317 P C 0.626 177.970 177.300 0.074 0.000 1.153 317 P CA 1.796 64.948 63.100 0.087 0.000 0.858 317 P CB 0.021 31.815 31.700 0.157 0.000 0.789 318 E N -1.225 119.002 120.200 0.045 0.000 2.401 318 E HA -0.145 4.203 4.350 -0.002 0.000 0.199 318 E C 1.124 177.750 176.600 0.044 0.000 1.023 318 E CA 0.813 57.249 56.400 0.061 0.000 0.859 318 E CB -0.800 28.934 29.700 0.056 0.000 0.780 318 E HN 0.223 nan 8.360 nan 0.000 0.523 319 N N 0.438 119.153 118.700 0.023 0.000 2.282 319 N HA 0.065 4.803 4.740 -0.002 0.000 0.185 319 N C -0.583 174.992 175.510 0.109 0.000 1.099 319 N CA 0.147 53.239 53.050 0.070 0.000 0.878 319 N CB 1.009 39.543 38.487 0.078 0.000 0.993 319 N HN -0.010 nan 8.380 nan 0.000 0.481 320 V N 2.740 122.709 119.914 0.093 0.000 2.385 320 V HA 0.300 4.418 4.120 -0.002 0.000 0.269 320 V C 0.287 176.418 176.094 0.061 0.000 1.043 320 V CA -0.418 61.933 62.300 0.085 0.000 0.906 320 V CB 0.966 32.837 31.823 0.079 0.000 0.995 320 V HN 0.016 nan 8.190 nan 0.000 0.467 321 L N 5.389 126.646 121.223 0.057 0.000 2.334 321 L HA 0.627 4.965 4.340 -0.002 0.000 0.272 321 L C -0.699 176.195 176.870 0.040 0.000 1.020 321 L CA -0.839 54.036 54.840 0.059 0.000 0.812 321 L CB 1.770 43.867 42.059 0.064 0.000 1.264 321 L HN 0.368 nan 8.230 nan 0.000 0.439 322 L N 1.149 122.407 121.223 0.058 0.000 2.331 322 L HA 0.417 4.755 4.340 -0.002 0.000 0.275 322 L C -0.059 176.863 176.870 0.087 0.000 1.022 322 L CA -0.313 54.562 54.840 0.057 0.000 0.812 322 L CB 1.436 43.524 42.059 0.047 0.000 1.257 322 L HN 0.583 nan 8.230 nan 0.000 0.435 323 D N -0.608 119.844 120.400 0.087 0.000 2.564 323 D HA 0.131 4.770 4.640 -0.002 0.000 0.273 323 D C 0.105 176.450 176.300 0.074 0.000 1.192 323 D CA -0.440 53.605 54.000 0.075 0.000 1.080 323 D CB 0.631 41.467 40.800 0.061 0.000 1.160 323 D HN 0.425 nan 8.370 nan 0.000 0.607 324 D N -0.703 119.730 120.400 0.056 0.000 2.264 324 D HA -0.101 4.538 4.640 -0.002 0.000 0.208 324 D C 0.837 177.150 176.300 0.022 0.000 0.966 324 D CA 0.874 54.899 54.000 0.041 0.000 0.864 324 D CB 0.106 40.925 40.800 0.031 0.000 0.933 324 D HN 0.387 nan 8.370 nan 0.000 0.499 325 D N -0.328 120.089 120.400 0.028 0.000 2.249 325 D HA 0.041 4.679 4.640 -0.002 0.000 0.205 325 D C 1.599 177.914 176.300 0.024 0.000 0.962 325 D CA 0.982 54.991 54.000 0.015 0.000 0.860 325 D CB 0.566 41.382 40.800 0.027 0.000 0.955 325 D HN 0.301 nan 8.370 nan 0.000 0.505 326 G N 0.875 109.719 108.800 0.074 0.000 2.141 326 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.164 326 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.164 326 G C -0.100 174.949 174.900 0.248 0.000 1.009 326 G CA -0.562 44.615 45.100 0.129 0.000 0.677 326 G HN 0.140 nan 8.290 nan 0.000 0.508 327 N N 0.042 118.880 118.700 0.231 0.000 2.492 327 N HA 0.637 5.375 4.740 -0.002 0.000 0.289 327 N C 0.449 176.092 175.510 0.221 0.000 1.133 327 N CA 0.208 53.449 53.050 0.318 0.000 0.961 327 N CB 2.605 41.247 38.487 0.257 0.000 1.186 327 N HN 0.728 nan 8.380 nan 0.000 0.493 328 V N -0.661 119.399 119.914 0.244 0.000 2.975 328 V HA 0.714 4.833 4.120 -0.002 0.000 0.318 328 V C -0.195 176.000 176.094 0.169 0.000 1.077 328 V CA -0.743 61.635 62.300 0.130 0.000 1.000 328 V CB 1.637 33.482 31.823 0.036 0.000 1.066 328 V HN 0.599 nan 8.190 nan 0.000 0.452 329 R N 2.854 123.418 120.500 0.108 0.000 2.626 329 R HA 0.582 4.921 4.340 -0.002 0.000 0.274 329 R C -0.728 175.609 176.300 0.061 0.000 1.031 329 R CA -0.769 55.388 56.100 0.095 0.000 0.898 329 R CB 2.292 32.621 30.300 0.048 0.000 1.222 329 R HN 0.986 nan 8.270 nan 0.000 0.455 330 I N -0.533 120.051 120.570 0.023 0.000 2.662 330 I HA 0.520 4.688 4.170 -0.002 0.000 0.291 330 I C 0.166 176.257 176.117 -0.044 0.000 1.046 330 I CA 0.005 61.297 61.300 -0.013 0.000 1.361 330 I CB 1.511 39.405 38.000 -0.177 0.000 1.429 330 I HN 0.703 nan 8.210 nan 0.000 0.558 331 S N 2.219 117.950 115.700 0.051 0.000 2.671 331 S HA 0.384 4.853 4.470 -0.002 0.000 0.277 331 S C -0.595 174.107 174.600 0.170 0.000 1.165 331 S CA -0.508 57.733 58.200 0.068 0.000 0.822 331 S CB 1.605 64.851 63.200 0.075 0.000 1.150 331 S HN 0.982 nan 8.310 nan 0.000 0.479 332 D N 0.204 120.681 120.400 0.128 0.000 3.357 332 D HA -0.103 4.536 4.640 -0.002 0.000 0.238 332 D C -0.122 176.311 176.300 0.221 0.000 1.126 332 D CA 0.305 54.393 54.000 0.146 0.000 0.984 332 D CB -1.066 39.811 40.800 0.128 0.000 0.925 332 D HN 0.535 nan 8.370 nan 0.000 0.414 333 L N 1.407 122.726 121.223 0.160 0.000 2.628 333 L HA 0.227 4.566 4.340 -0.002 0.000 0.229 333 L C 2.492 179.448 176.870 0.143 0.000 1.137 333 L CA 0.979 55.927 54.840 0.180 0.000 0.909 333 L CB -0.518 41.584 42.059 0.072 0.000 1.137 333 L HN 0.466 nan 8.230 nan 0.000 0.470 334 G N 0.593 109.459 108.800 0.110 0.000 2.469 334 G HA2 -0.237 3.721 3.960 -0.002 0.000 0.220 334 G HA3 -0.237 3.721 3.960 -0.002 0.000 0.220 334 G C 1.373 176.320 174.900 0.078 0.000 1.136 334 G CA 0.441 45.585 45.100 0.074 0.000 0.759 334 G HN 0.400 nan 8.290 nan 0.000 0.562 335 L N 0.954 122.231 121.223 0.090 0.000 2.653 335 L HA 0.423 4.761 4.340 -0.002 0.000 0.232 335 L C 1.366 178.299 176.870 0.105 0.000 1.169 335 L CA -0.596 54.290 54.840 0.078 0.000 0.951 335 L CB -0.005 42.079 42.059 0.042 0.000 1.181 335 L HN 0.204 nan 8.230 nan 0.000 0.460 336 A N 0.307 123.209 122.820 0.137 0.000 2.340 336 A HA 0.502 4.821 4.320 -0.002 0.000 0.268 336 A C -0.428 177.227 177.584 0.117 0.000 1.100 336 A CA -0.139 51.993 52.037 0.157 0.000 0.803 336 A CB 1.228 20.328 19.000 0.168 0.000 1.043 336 A HN -0.010 nan 8.150 nan 0.000 0.488 337 V N 1.454 121.439 119.914 0.118 0.000 2.680 337 V HA 0.524 4.643 4.120 -0.002 0.000 0.309 337 V C -0.327 175.816 176.094 0.082 0.000 1.052 337 V CA -0.605 61.746 62.300 0.085 0.000 0.908 337 V CB 1.685 33.549 31.823 0.068 0.000 1.001 337 V HN 1.020 nan 8.190 nan 0.000 0.431 338 E N 5.663 125.900 120.200 0.061 0.000 2.109 338 E HA 0.430 4.778 4.350 -0.002 0.000 0.278 338 E C -0.946 175.676 176.600 0.038 0.000 0.954 338 E CA -0.553 55.883 56.400 0.058 0.000 0.779 338 E CB 1.122 30.851 29.700 0.048 0.000 1.093 338 E HN 0.740 nan 8.360 nan 0.000 0.401 339 L N 4.961 126.210 121.223 0.044 0.000 2.410 339 L HA 0.177 4.516 4.340 -0.002 0.000 0.273 339 L C 0.841 177.726 176.870 0.026 0.000 1.152 339 L CA -0.340 54.509 54.840 0.015 0.000 0.855 339 L CB 0.409 42.470 42.059 0.003 0.000 1.129 339 L HN 0.469 nan 8.230 nan 0.000 0.463 340 K N 2.069 122.474 120.400 0.008 0.000 2.132 340 K HA 0.338 4.656 4.320 -0.002 0.000 0.240 340 K C 0.019 176.630 176.600 0.017 0.000 1.036 340 K CA -0.437 55.856 56.287 0.011 0.000 0.888 340 K CB 0.492 32.993 32.500 0.002 0.000 1.071 340 K HN 0.649 nan 8.250 nan 0.000 0.502 341 A N 0.052 122.881 122.820 0.016 0.000 2.524 341 A HA 0.379 4.697 4.320 -0.002 0.000 0.250 341 A C 0.882 178.474 177.584 0.013 0.000 1.078 341 A CA 0.764 52.812 52.037 0.018 0.000 0.761 341 A CB -0.936 18.073 19.000 0.014 0.000 1.012 341 A HN 0.811 nan 8.150 nan 0.000 0.500 342 G N 1.237 110.048 108.800 0.019 0.000 2.324 342 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.292 342 G HA3 -0.137 3.822 3.960 -0.002 0.000 0.292 342 G C -0.154 174.747 174.900 0.000 0.000 1.079 342 G CA 0.612 45.719 45.100 0.012 0.000 1.026 342 G HN 1.386 nan 8.290 nan 0.000 0.506 343 Q N -0.403 119.396 119.800 -0.002 0.000 2.309 343 Q HA 0.520 4.859 4.340 -0.002 0.000 0.254 343 Q C 1.072 177.045 176.000 -0.044 0.000 0.938 343 Q CA 0.074 55.859 55.803 -0.029 0.000 0.789 343 Q CB 0.902 29.616 28.738 -0.040 0.000 1.313 343 Q HN 0.552 nan 8.270 nan 0.000 0.438 344 T N 0.328 114.847 114.554 -0.059 0.000 3.057 344 T HA 0.323 4.671 4.350 -0.002 0.000 0.254 344 T C 0.273 174.856 174.700 -0.196 0.000 1.094 344 T CA 0.398 62.447 62.100 -0.085 0.000 1.088 344 T CB 0.316 69.166 68.868 -0.030 0.000 0.934 344 T HN 0.427 nan 8.240 nan 0.000 0.497 345 K N -0.488 119.797 120.400 -0.192 0.000 2.522 345 K HA 0.660 4.979 4.320 -0.002 0.000 0.275 345 K C -1.222 175.203 176.600 -0.291 0.000 1.006 345 K CA -0.853 55.276 56.287 -0.263 0.000 0.890 345 K CB 2.331 34.711 32.500 -0.201 0.000 1.475 345 K HN 0.024 nan 8.250 nan 0.000 0.441 346 T N -0.228 114.054 114.554 -0.454 0.000 2.787 346 T HA 0.480 4.829 4.350 -0.002 0.000 0.297 346 T C -1.758 172.569 174.700 -0.622 0.000 1.221 346 T CA -0.729 61.101 62.100 -0.450 0.000 1.006 346 T CB 1.465 70.094 68.868 -0.399 0.000 1.328 346 T HN 0.444 nan 8.240 nan 0.000 0.509 347 K N 0.033 120.212 120.400 -0.369 0.000 2.400 347 K HA 0.739 5.058 4.320 -0.002 0.000 0.246 347 K C -0.830 175.750 176.600 -0.033 0.000 0.995 347 K CA -1.008 55.153 56.287 -0.211 0.000 0.840 347 K CB 2.145 34.598 32.500 -0.079 0.000 1.293 347 K HN 1.084 nan 8.250 nan 0.000 0.445 348 G N 1.303 110.190 108.800 0.146 0.000 2.621 348 G HA2 -0.074 3.885 3.960 -0.002 0.000 0.355 348 G HA3 -0.074 3.885 3.960 -0.002 0.000 0.355 348 G C -2.055 172.995 174.900 0.249 0.000 1.509 348 G CA -0.998 44.211 45.100 0.180 0.000 1.000 348 G HN 0.510 nan 8.290 nan 0.000 0.646 349 Y N 2.047 122.394 120.300 0.079 0.000 2.584 349 Y HA 0.526 5.074 4.550 -0.003 0.000 0.351 349 Y C 0.466 176.385 175.900 0.032 0.000 1.030 349 Y CA 1.054 59.177 58.100 0.038 0.000 1.332 349 Y CB 0.426 38.895 38.460 0.014 0.000 1.148 349 Y HN 1.239 nan 8.280 nan 0.000 0.528 350 A N 4.144 126.897 122.820 -0.111 0.000 2.577 350 A HA 0.784 5.103 4.320 -0.002 0.000 0.297 350 A C -0.336 177.158 177.584 -0.150 0.000 1.060 350 A CA -0.029 51.978 52.037 -0.049 0.000 0.697 350 A CB 0.893 19.919 19.000 0.043 0.000 1.281 350 A HN 1.513 nan 8.150 nan 0.000 0.402 351 G N -0.335 108.405 108.800 -0.100 0.000 2.343 351 G HA2 0.493 4.452 3.960 -0.002 0.000 0.465 351 G HA3 0.493 4.452 3.960 -0.002 0.000 0.465 351 G C -0.616 174.245 174.900 -0.066 0.000 1.282 351 G CA -0.150 44.886 45.100 -0.107 0.000 0.996 351 G HN 1.385 nan 8.290 nan 0.000 0.521 352 T N 2.999 117.537 114.554 -0.025 0.000 2.767 352 T HA 0.597 4.945 4.350 -0.002 0.000 0.288 352 T C -2.415 172.366 174.700 0.135 0.000 0.963 352 T CA -0.728 61.412 62.100 0.066 0.000 1.019 352 T CB 1.600 70.512 68.868 0.073 0.000 0.923 352 T HN 0.437 nan 8.240 nan 0.000 0.468 353 P HA 0.125 nan 4.420 nan 0.000 0.260 353 P C 1.130 178.476 177.300 0.075 0.000 1.172 353 P CA 1.175 64.307 63.100 0.052 0.000 0.760 353 P CB 0.145 31.878 31.700 0.055 0.000 0.773 354 G N 1.717 110.495 108.800 -0.036 0.000 2.234 354 G HA2 -0.312 3.646 3.960 -0.002 0.000 0.235 354 G HA3 -0.312 3.646 3.960 -0.002 0.000 0.235 354 G C 0.614 175.372 174.900 -0.236 0.000 0.997 354 G CA -0.141 44.870 45.100 -0.149 0.000 0.623 354 G HN 0.462 nan 8.290 nan 0.000 0.514 355 F N 0.831 120.808 119.950 0.045 0.000 2.727 355 F HA 0.540 5.066 4.527 -0.002 0.000 0.302 355 F C 1.720 177.545 175.800 0.041 0.000 1.107 355 F CA -0.152 57.903 58.000 0.092 0.000 1.277 355 F CB 0.241 39.263 39.000 0.037 0.000 1.079 355 F HN 0.043 nan 8.300 nan 0.000 0.594 356 M N 1.060 120.686 119.600 0.043 0.000 2.228 356 M HA 0.345 4.824 4.480 -0.002 0.000 0.351 356 M C 0.357 176.453 176.300 -0.340 0.000 1.233 356 M CA -0.306 54.890 55.300 -0.174 0.000 1.129 356 M CB 0.719 33.137 32.600 -0.303 0.000 1.604 356 M HN 0.068 nan 8.290 nan 0.000 0.457 357 A N 4.722 127.239 122.820 -0.506 0.000 2.286 357 A HA 0.481 4.799 4.320 -0.002 0.000 0.286 357 A C -1.866 175.297 177.584 -0.702 0.000 1.097 357 A CA -1.552 49.882 52.037 -1.006 0.000 0.821 357 A CB -0.095 18.428 19.000 -0.795 0.000 1.076 357 A HN 0.600 nan 8.150 nan 0.000 0.490 358 P HA -0.221 nan 4.420 nan 0.000 0.216 358 P C 0.821 177.973 177.300 -0.247 0.000 1.157 358 P CA 2.008 64.880 63.100 -0.379 0.000 0.880 358 P CB 0.059 31.593 31.700 -0.277 0.000 0.791 359 E N -0.378 119.694 120.200 -0.214 0.000 2.070 359 E HA -0.197 4.152 4.350 -0.002 0.000 0.197 359 E C 2.092 178.637 176.600 -0.091 0.000 1.004 359 E CA 1.013 57.353 56.400 -0.100 0.000 0.805 359 E CB -1.394 28.285 29.700 -0.034 0.000 0.744 359 E HN 0.217 nan 8.360 nan 0.000 0.451 360 L N 0.181 121.254 121.223 -0.250 0.000 2.056 360 L HA -0.122 4.216 4.340 -0.002 0.000 0.207 360 L C 2.106 178.885 176.870 -0.153 0.000 1.078 360 L CA 1.156 55.815 54.840 -0.301 0.000 0.749 360 L CB -0.060 41.603 42.059 -0.660 0.000 0.901 360 L HN 0.152 nan 8.230 nan 0.000 0.433 361 L N -0.627 120.481 121.223 -0.192 0.000 2.131 361 L HA -0.234 4.105 4.340 -0.002 0.000 0.210 361 L C 2.433 179.322 176.870 0.031 0.000 1.092 361 L CA 1.020 55.819 54.840 -0.067 0.000 0.759 361 L CB -0.422 41.560 42.059 -0.129 0.000 0.903 361 L HN 0.311 nan 8.230 nan 0.000 0.435 362 L N -0.763 120.449 121.223 -0.020 0.000 2.156 362 L HA -0.029 4.309 4.340 -0.002 0.000 0.208 362 L C 1.622 178.511 176.870 0.032 0.000 1.095 362 L CA 1.156 55.995 54.840 -0.002 0.000 0.770 362 L CB -0.270 41.775 42.059 -0.023 0.000 0.914 362 L HN 0.521 nan 8.230 nan 0.000 0.439 363 G N -0.995 107.842 108.800 0.061 0.000 2.205 363 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.180 363 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.180 363 G C 0.114 175.057 174.900 0.073 0.000 1.004 363 G CA -0.366 44.780 45.100 0.077 0.000 0.670 363 G HN 0.320 nan 8.290 nan 0.000 0.496 364 E N 0.459 120.703 120.200 0.074 0.000 2.405 364 E HA 0.465 4.814 4.350 -0.002 0.000 0.253 364 E C 0.257 176.913 176.600 0.094 0.000 1.257 364 E CA -0.387 56.051 56.400 0.064 0.000 0.960 364 E CB 0.737 30.466 29.700 0.047 0.000 1.077 364 E HN 0.415 nan 8.360 nan 0.000 0.512 365 E N 0.160 120.373 120.200 0.021 0.000 2.366 365 E HA 0.198 4.546 4.350 -0.002 0.000 0.266 365 E C -1.170 175.429 176.600 -0.001 0.000 1.051 365 E CA -0.018 56.336 56.400 -0.077 0.000 0.884 365 E CB 0.612 30.252 29.700 -0.100 0.000 1.006 365 E HN 0.299 nan 8.360 nan 0.000 0.417 366 Y N -0.356 119.895 120.300 -0.080 0.000 2.638 366 Y HA 0.415 4.964 4.550 -0.002 0.000 0.335 366 Y C -0.921 174.881 175.900 -0.163 0.000 1.155 366 Y CA -1.198 56.843 58.100 -0.098 0.000 1.046 366 Y CB 0.783 39.191 38.460 -0.087 0.000 1.303 366 Y HN 0.489 nan 8.280 nan 0.000 0.460 367 D N 0.406 120.820 120.400 0.023 0.000 2.723 367 D HA 0.274 4.912 4.640 -0.002 0.000 0.205 367 D C 0.402 176.545 176.300 -0.263 0.000 1.295 367 D CA -0.409 53.408 54.000 -0.305 0.000 1.112 367 D CB -0.154 40.435 40.800 -0.352 0.000 1.193 367 D HN 0.407 nan 8.370 nan 0.000 0.610 368 F N 0.403 120.322 119.950 -0.053 0.000 2.558 368 F HA 0.024 4.549 4.527 -0.003 0.000 0.298 368 F C 2.596 178.393 175.800 -0.004 0.000 1.119 368 F CA 0.646 58.475 58.000 -0.285 0.000 1.451 368 F CB -0.407 38.088 39.000 -0.841 0.000 1.091 368 F HN 0.223 nan 8.300 nan 0.000 0.563 369 S N 0.742 116.625 115.700 0.304 0.000 2.402 369 S HA -0.226 4.243 4.470 -0.002 0.000 0.233 369 S C 2.153 176.933 174.600 0.300 0.000 1.030 369 S CA 1.385 59.817 58.200 0.388 0.000 1.003 369 S CB -1.485 61.859 63.200 0.240 0.000 0.813 369 S HN 0.378 nan 8.310 nan 0.000 0.477 370 V N 0.340 120.340 119.914 0.144 0.000 2.407 370 V HA -0.153 3.965 4.120 -0.002 0.000 0.248 370 V C 2.032 178.199 176.094 0.122 0.000 1.055 370 V CA 2.154 64.482 62.300 0.047 0.000 1.049 370 V CB -1.052 30.658 31.823 -0.188 0.000 0.662 370 V HN 0.253 nan 8.190 nan 0.000 0.455 371 D N -0.298 120.156 120.400 0.091 0.000 2.178 371 D HA -0.127 4.511 4.640 -0.002 0.000 0.202 371 D C 2.037 178.332 176.300 -0.008 0.000 0.974 371 D CA 1.847 55.870 54.000 0.038 0.000 0.841 371 D CB -0.311 40.535 40.800 0.076 0.000 0.953 371 D HN 0.679 nan 8.370 nan 0.000 0.478 372 Y N -0.512 119.953 120.300 0.274 0.000 2.314 372 Y HA -0.099 4.449 4.550 -0.002 0.000 0.293 372 Y C 2.183 178.192 175.900 0.182 0.000 1.129 372 Y CA 0.313 58.545 58.100 0.221 0.000 1.201 372 Y CB -0.323 38.252 38.460 0.192 0.000 0.999 372 Y HN -0.084 nan 8.280 nan 0.000 0.541 373 F N 0.437 120.506 119.950 0.197 0.000 2.102 373 F HA -0.217 4.309 4.527 -0.003 0.000 0.298 373 F C 2.409 178.298 175.800 0.149 0.000 1.105 373 F CA 1.329 59.410 58.000 0.135 0.000 1.239 373 F CB -0.483 38.564 39.000 0.079 0.000 0.991 373 F HN -0.017 nan 8.300 nan 0.000 0.474 374 A N 0.136 123.178 122.820 0.371 0.000 1.978 374 A HA -0.204 4.114 4.320 -0.002 0.000 0.220 374 A C 2.064 179.807 177.584 0.265 0.000 1.170 374 A CA 1.757 53.997 52.037 0.337 0.000 0.636 374 A CB -1.215 17.924 19.000 0.232 0.000 0.810 374 A HN 0.515 nan 8.150 nan 0.000 0.448 375 L N 0.123 121.472 121.223 0.210 0.000 1.994 375 L HA -0.048 4.291 4.340 -0.002 0.000 0.208 375 L C 2.434 179.436 176.870 0.219 0.000 1.071 375 L CA 2.482 57.463 54.840 0.235 0.000 0.745 375 L CB -1.228 40.996 42.059 0.275 0.000 0.892 375 L HN 0.302 nan 8.230 nan 0.000 0.431 376 G N -0.824 108.036 108.800 0.100 0.000 2.491 376 G HA2 -0.268 3.690 3.960 -0.002 0.000 0.218 376 G HA3 -0.268 3.690 3.960 -0.002 0.000 0.218 376 G C 1.558 176.500 174.900 0.070 0.000 1.180 376 G CA 1.471 46.583 45.100 0.020 0.000 0.774 376 G HN 0.361 nan 8.290 nan 0.000 0.562 377 V N 0.914 120.822 119.914 -0.010 0.000 2.282 377 V HA -0.243 3.876 4.120 -0.002 0.000 0.249 377 V C 3.154 179.388 176.094 0.233 0.000 1.057 377 V CA 2.523 64.838 62.300 0.025 0.000 1.032 377 V CB -1.157 30.652 31.823 -0.023 0.000 0.645 377 V HN 0.428 nan 8.190 nan 0.000 0.447 378 T N 0.261 115.018 114.554 0.337 0.000 2.708 378 T HA -0.193 4.156 4.350 -0.002 0.000 0.266 378 T C 1.892 176.785 174.700 0.322 0.000 1.037 378 T CA 1.908 64.229 62.100 0.368 0.000 1.146 378 T CB -0.376 68.687 68.868 0.324 0.000 0.865 378 T HN 0.315 nan 8.240 nan 0.000 0.435 379 L N 0.152 121.575 121.223 0.333 0.000 2.046 379 L HA -0.034 4.305 4.340 -0.002 0.000 0.208 379 L C 2.119 179.207 176.870 0.362 0.000 1.077 379 L CA 1.647 56.694 54.840 0.345 0.000 0.747 379 L CB -0.788 41.510 42.059 0.398 0.000 0.896 379 L HN 0.322 nan 8.230 nan 0.000 0.432 380 Y N 0.436 120.902 120.300 0.277 0.000 2.097 380 Y HA -0.346 4.203 4.550 -0.002 0.000 0.282 380 Y C 2.709 178.762 175.900 0.255 0.000 1.152 380 Y CA 2.339 60.649 58.100 0.350 0.000 1.136 380 Y CB -0.136 38.387 38.460 0.104 0.000 0.975 380 Y HN 0.405 nan 8.280 nan 0.000 0.498 381 E N -0.212 120.241 120.200 0.422 0.000 2.110 381 E HA -0.253 4.096 4.350 -0.002 0.000 0.193 381 E C 2.145 178.748 176.600 0.005 0.000 0.988 381 E CA 1.511 58.056 56.400 0.242 0.000 0.804 381 E CB -0.205 29.634 29.700 0.232 0.000 0.745 381 E HN 0.567 nan 8.360 nan 0.000 0.458 382 M N -0.099 119.511 119.600 0.017 0.000 2.213 382 M HA -0.164 4.314 4.480 -0.002 0.000 0.263 382 M C 2.004 178.175 176.300 -0.215 0.000 1.062 382 M CA 1.261 56.477 55.300 -0.140 0.000 1.105 382 M CB -0.058 32.654 32.600 0.186 0.000 1.385 382 M HN 0.226 nan 8.290 nan 0.000 0.417 383 I N -1.003 119.454 120.570 -0.188 0.000 2.628 383 I HA -0.042 4.127 4.170 -0.002 0.000 0.255 383 I C 2.157 178.018 176.117 -0.428 0.000 1.119 383 I CA 0.637 61.688 61.300 -0.414 0.000 1.448 383 I CB -0.126 37.343 38.000 -0.885 0.000 1.133 383 I HN 0.127 nan 8.210 nan 0.000 0.438 384 A N 0.324 122.966 122.820 -0.296 0.000 2.348 384 A HA 0.575 4.893 4.320 -0.002 0.000 0.224 384 A C 1.501 179.060 177.584 -0.042 0.000 1.227 384 A CA 0.467 52.412 52.037 -0.153 0.000 0.885 384 A CB -0.119 18.839 19.000 -0.071 0.000 0.933 384 A HN 0.417 nan 8.150 nan 0.000 0.506 385 A N -0.283 122.480 122.820 -0.094 0.000 2.832 385 A HA -0.183 4.136 4.320 -0.002 0.000 0.280 385 A C 0.439 178.145 177.584 0.203 0.000 1.464 385 A CA 1.627 53.629 52.037 -0.058 0.000 0.804 385 A CB -2.159 16.816 19.000 -0.041 0.000 1.020 385 A HN 1.664 nan 8.150 nan 0.000 0.563 386 R N -2.153 118.476 120.500 0.214 0.000 2.664 386 R HA 0.557 4.896 4.340 -0.002 0.000 0.260 386 R C 0.178 176.629 176.300 0.252 0.000 1.062 386 R CA -0.420 55.824 56.100 0.239 0.000 0.902 386 R CB 0.125 30.533 30.300 0.180 0.000 1.258 386 R HN 1.210 nan 8.270 nan 0.000 0.465 387 G N 1.329 110.201 108.800 0.120 0.000 2.664 387 G HA2 0.295 4.254 3.960 -0.002 0.000 0.242 387 G HA3 0.295 4.254 3.960 -0.002 0.000 0.242 387 G C -1.639 173.073 174.900 -0.313 0.000 1.225 387 G CA -1.199 43.870 45.100 -0.052 0.000 0.849 387 G HN 0.556 nan 8.290 nan 0.000 0.581 388 P HA 0.095 nan 4.420 nan 0.000 0.240 388 P C 0.536 177.214 177.300 -1.036 0.000 1.190 388 P CA 0.741 62.989 63.100 -1.419 0.000 0.781 388 P CB 0.196 30.736 31.700 -1.933 0.000 0.931 389 F N 0.333 120.094 119.950 -0.315 0.000 2.706 389 F HA 0.296 4.822 4.527 -0.002 0.000 0.313 389 F C 1.204 176.925 175.800 -0.133 0.000 1.096 389 F CA -0.517 57.364 58.000 -0.198 0.000 1.219 389 F CB 0.590 39.488 39.000 -0.170 0.000 1.051 389 F HN -0.165 nan 8.300 nan 0.000 0.568 390 R N -0.391 120.108 120.500 -0.002 0.000 2.734 390 R HA 0.821 5.159 4.340 -0.002 0.000 0.271 390 R C -1.144 175.155 176.300 -0.002 0.000 1.021 390 R CA -1.142 54.961 56.100 0.006 0.000 0.893 390 R CB 1.029 31.341 30.300 0.019 0.000 1.244 390 R HN -0.123 nan 8.270 nan 0.000 0.464 391 A N 1.259 124.083 122.820 0.006 0.000 2.313 391 A HA 0.372 4.690 4.320 -0.002 0.000 0.261 391 A C -0.185 177.409 177.584 0.017 0.000 1.090 391 A CA -0.618 51.429 52.037 0.016 0.000 0.807 391 A CB 0.438 19.444 19.000 0.010 0.000 1.055 391 A HN 0.705 nan 8.150 nan 0.000 0.492 392 R N 0.156 120.671 120.500 0.025 0.000 2.421 392 R HA 0.337 4.675 4.340 -0.002 0.000 0.305 392 R C 1.186 177.468 176.300 -0.030 0.000 1.039 392 R CA 1.391 57.492 56.100 0.001 0.000 1.003 392 R CB -0.267 30.047 30.300 0.023 0.000 0.959 392 R HN 1.625 nan 8.270 nan 0.000 0.427 393 G N 2.955 111.722 108.800 -0.055 0.000 2.176 393 G HA2 -0.316 3.642 3.960 -0.002 0.000 0.253 393 G HA3 -0.316 3.642 3.960 -0.002 0.000 0.253 393 G C 0.025 174.908 174.900 -0.028 0.000 0.979 393 G CA 0.353 45.422 45.100 -0.051 0.000 0.641 393 G HN 0.669 nan 8.290 nan 0.000 0.530 394 E N 1.108 121.299 120.200 -0.017 0.000 2.217 394 E HA 0.300 4.649 4.350 -0.002 0.000 0.279 394 E C 0.449 177.045 176.600 -0.006 0.000 1.068 394 E CA -0.439 55.956 56.400 -0.008 0.000 0.882 394 E CB 0.228 29.927 29.700 -0.001 0.000 1.039 394 E HN 0.333 nan 8.360 nan 0.000 0.418 395 K N 5.239 125.635 120.400 -0.007 0.000 2.284 395 K HA 0.192 4.510 4.320 -0.002 0.000 0.287 395 K C -1.121 175.479 176.600 -0.001 0.000 1.081 395 K CA -0.411 55.874 56.287 -0.004 0.000 0.910 395 K CB 1.034 33.530 32.500 -0.006 0.000 1.088 395 K HN 0.336 nan 8.250 nan 0.000 0.478 396 V N 3.290 123.206 119.914 0.003 0.000 2.823 396 V HA 0.438 4.557 4.120 -0.002 0.000 0.312 396 V C -0.994 175.102 176.094 0.003 0.000 1.072 396 V CA -0.603 61.698 62.300 0.002 0.000 0.937 396 V CB 1.919 33.743 31.823 0.003 0.000 1.013 396 V HN 0.920 nan 8.190 nan 0.000 0.430 397 E N 3.511 123.712 120.200 0.001 0.000 2.254 397 E HA 0.381 4.730 4.350 -0.002 0.000 0.261 397 E C 0.203 176.804 176.600 0.003 0.000 1.051 397 E CA -0.776 55.626 56.400 0.004 0.000 0.902 397 E CB 0.874 30.575 29.700 0.001 0.000 1.168 397 E HN 0.777 nan 8.360 nan 0.000 0.423 398 N N 1.369 120.076 118.700 0.012 0.000 2.094 398 N HA -0.216 4.522 4.740 -0.002 0.000 0.191 398 N C 1.493 177.008 175.510 0.009 0.000 1.023 398 N CA 1.277 54.340 53.050 0.021 0.000 0.857 398 N CB -0.167 38.347 38.487 0.047 0.000 1.013 398 N HN 0.401 nan 8.380 nan 0.000 0.426 399 K N 0.940 121.340 120.400 -0.000 0.000 2.032 399 K HA -0.152 4.167 4.320 -0.002 0.000 0.209 399 K C 1.419 178.007 176.600 -0.021 0.000 1.048 399 K CA 1.423 57.703 56.287 -0.010 0.000 0.927 399 K CB 0.091 32.581 32.500 -0.015 0.000 0.712 399 K HN 0.008 nan 8.250 nan 0.000 0.441 400 E N 0.629 120.816 120.200 -0.020 0.000 2.112 400 E HA -0.105 4.243 4.350 -0.002 0.000 0.190 400 E C 1.703 178.278 176.600 -0.042 0.000 0.979 400 E CA 0.417 56.801 56.400 -0.026 0.000 0.814 400 E CB -0.146 29.544 29.700 -0.016 0.000 0.762 400 E HN 0.141 nan 8.360 nan 0.000 0.460 401 L N 1.383 122.582 121.223 -0.040 0.000 2.079 401 L HA -0.193 4.146 4.340 -0.002 0.000 0.210 401 L C 2.045 178.835 176.870 -0.134 0.000 1.081 401 L CA 1.819 56.618 54.840 -0.068 0.000 0.752 401 L CB -0.340 41.693 42.059 -0.043 0.000 0.896 401 L HN 0.016 nan 8.230 nan 0.000 0.433 402 K N -0.983 119.358 120.400 -0.098 0.000 2.002 402 K HA -0.229 4.090 4.320 -0.002 0.000 0.209 402 K C 2.058 178.572 176.600 -0.144 0.000 1.048 402 K CA 1.835 58.051 56.287 -0.118 0.000 0.930 402 K CB -0.186 32.289 32.500 -0.043 0.000 0.714 402 K HN 0.448 nan 8.250 nan 0.000 0.438 403 Q N 0.002 119.746 119.800 -0.095 0.000 2.152 403 Q HA -0.193 4.145 4.340 -0.002 0.000 0.206 403 Q C 2.228 178.168 176.000 -0.099 0.000 0.985 403 Q CA 1.726 57.482 55.803 -0.079 0.000 0.863 403 Q CB -0.055 28.655 28.738 -0.047 0.000 0.904 403 Q HN 0.317 nan 8.270 nan 0.000 0.422 404 R N -0.284 120.142 120.500 -0.124 0.000 2.057 404 R HA -0.074 4.264 4.340 -0.002 0.000 0.229 404 R C 2.382 178.497 176.300 -0.309 0.000 1.136 404 R CA 1.287 57.324 56.100 -0.106 0.000 0.952 404 R CB -0.516 29.770 30.300 -0.023 0.000 0.848 404 R HN 0.077 nan 8.270 nan 0.000 0.430 405 V N 2.028 121.535 119.914 -0.678 0.000 2.370 405 V HA -0.265 3.854 4.120 -0.002 0.000 0.252 405 V C 2.264 178.104 176.094 -0.423 0.000 1.068 405 V CA 1.788 63.475 62.300 -1.021 0.000 1.061 405 V CB -0.474 30.884 31.823 -0.775 0.000 0.656 405 V HN 0.299 nan 8.190 nan 0.000 0.455 406 L N -0.931 120.140 121.223 -0.253 0.000 2.179 406 L HA -0.034 4.304 4.340 -0.002 0.000 0.208 406 L C 2.128 178.968 176.870 -0.049 0.000 1.096 406 L CA 1.351 56.112 54.840 -0.132 0.000 0.779 406 L CB -0.262 41.732 42.059 -0.109 0.000 0.922 406 L HN 0.371 nan 8.230 nan 0.000 0.443 407 E N -1.593 118.589 120.200 -0.029 0.000 2.541 407 E HA 0.069 4.417 4.350 -0.002 0.000 0.219 407 E C 0.417 177.047 176.600 0.051 0.000 0.922 407 E CA -0.170 56.237 56.400 0.010 0.000 1.095 407 E CB 0.802 30.499 29.700 -0.004 0.000 1.112 407 E HN 0.254 nan 8.360 nan 0.000 0.516 408 Q N 1.488 121.352 119.800 0.107 0.000 2.241 408 Q HA 0.514 4.853 4.340 -0.002 0.000 0.254 408 Q C -0.922 175.160 176.000 0.137 0.000 0.917 408 Q CA -0.526 55.359 55.803 0.136 0.000 0.919 408 Q CB 1.251 30.118 28.738 0.214 0.000 1.237 408 Q HN 0.092 nan 8.270 nan 0.000 0.434 409 A N 3.690 126.541 122.820 0.052 0.000 2.409 409 A HA 0.355 4.674 4.320 -0.002 0.000 0.267 409 A C -0.390 177.139 177.584 -0.091 0.000 1.127 409 A CA -0.499 51.545 52.037 0.012 0.000 0.795 409 A CB 0.556 19.563 19.000 0.011 0.000 1.061 409 A HN 0.608 nan 8.150 nan 0.000 0.502 410 V N 3.339 123.142 119.914 -0.184 0.000 2.555 410 V HA 0.383 4.501 4.120 -0.002 0.000 0.286 410 V C 1.028 176.837 176.094 -0.474 0.000 1.044 410 V CA 0.392 62.407 62.300 -0.475 0.000 1.026 410 V CB 1.016 32.431 31.823 -0.680 0.000 0.981 410 V HN 1.054 nan 8.190 nan 0.000 0.480 411 T N 2.431 116.692 114.554 -0.488 0.000 2.895 411 T HA 0.689 5.037 4.350 -0.002 0.000 0.283 411 T C -1.062 173.348 174.700 -0.482 0.000 1.014 411 T CA -0.583 61.324 62.100 -0.322 0.000 1.037 411 T CB 1.170 69.963 68.868 -0.126 0.000 1.006 411 T HN 0.349 nan 8.240 nan 0.000 0.468 412 Y N 2.241 122.505 120.300 -0.060 0.000 2.328 412 Y HA 0.501 5.049 4.550 -0.002 0.000 0.336 412 Y C -1.729 174.177 175.900 0.009 0.000 0.960 412 Y CA -2.186 55.827 58.100 -0.144 0.000 1.134 412 Y CB 0.962 39.216 38.460 -0.344 0.000 1.166 412 Y HN 0.625 nan 8.280 nan 0.000 0.464 413 P HA 0.102 nan 4.420 nan 0.000 0.282 413 P C -0.112 177.317 177.300 0.215 0.000 1.286 413 P CA -0.115 63.094 63.100 0.180 0.000 0.777 413 P CB 1.263 33.048 31.700 0.141 0.000 1.184 414 D N -0.927 119.546 120.400 0.122 0.000 2.224 414 D HA -0.080 4.559 4.640 -0.002 0.000 0.205 414 D C 1.738 178.075 176.300 0.062 0.000 0.965 414 D CA 1.005 55.058 54.000 0.088 0.000 0.852 414 D CB -0.195 40.632 40.800 0.045 0.000 0.947 414 D HN 0.398 nan 8.370 nan 0.000 0.494 415 K N -0.141 120.271 120.400 0.020 0.000 2.173 415 K HA -0.133 4.185 4.320 -0.002 0.000 0.207 415 K C 0.284 176.764 176.600 -0.199 0.000 1.046 415 K CA 0.540 56.755 56.287 -0.120 0.000 0.929 415 K CB -0.224 32.140 32.500 -0.227 0.000 0.720 415 K HN 0.172 nan 8.250 nan 0.000 0.453 416 F N 1.784 121.704 119.950 -0.050 0.000 2.472 416 F HA -0.006 4.519 4.527 -0.002 0.000 0.364 416 F C 1.125 176.897 175.800 -0.046 0.000 1.090 416 F CA -0.564 57.405 58.000 -0.051 0.000 1.188 416 F CB 0.578 39.559 39.000 -0.032 0.000 1.105 416 F HN -0.056 nan 8.300 nan 0.000 0.536 417 S N 3.779 119.529 115.700 0.083 0.000 2.632 417 S HA 0.317 4.785 4.470 -0.002 0.000 0.267 417 S C -1.898 172.732 174.600 0.050 0.000 1.276 417 S CA -1.214 57.010 58.200 0.040 0.000 0.998 417 S CB 1.345 64.541 63.200 -0.006 0.000 0.953 417 S HN 0.349 nan 8.310 nan 0.000 0.547 418 P HA -0.125 nan 4.420 nan 0.000 0.217 418 P C 1.525 178.839 177.300 0.025 0.000 1.151 418 P CA 2.077 65.181 63.100 0.007 0.000 0.849 418 P CB -0.242 31.458 31.700 -0.000 0.000 0.787 419 A N -0.725 122.117 122.820 0.036 0.000 1.898 419 A HA -0.153 4.165 4.320 -0.002 0.000 0.216 419 A C 2.307 179.962 177.584 0.119 0.000 1.181 419 A CA 2.107 54.196 52.037 0.086 0.000 0.620 419 A CB -1.450 17.561 19.000 0.018 0.000 0.819 419 A HN 0.167 nan 8.150 nan 0.000 0.442 420 S N 0.011 115.758 115.700 0.078 0.000 2.359 420 S HA -0.203 4.266 4.470 -0.002 0.000 0.224 420 S C 1.966 176.657 174.600 0.152 0.000 1.035 420 S CA 1.581 59.876 58.200 0.159 0.000 1.018 420 S CB -0.315 63.046 63.200 0.269 0.000 0.876 420 S HN 0.641 nan 8.310 nan 0.000 0.448 421 K N 1.257 121.664 120.400 0.010 0.000 1.991 421 K HA -0.220 4.098 4.320 -0.002 0.000 0.212 421 K C 2.057 178.499 176.600 -0.264 0.000 1.049 421 K CA 1.851 57.924 56.287 -0.356 0.000 0.932 421 K CB -0.431 31.858 32.500 -0.351 0.000 0.717 421 K HN 0.291 nan 8.250 nan 0.000 0.441 422 D N -0.365 120.005 120.400 -0.050 0.000 2.133 422 D HA -0.202 4.436 4.640 -0.002 0.000 0.195 422 D C 1.932 178.272 176.300 0.067 0.000 0.997 422 D CA 1.089 55.127 54.000 0.063 0.000 0.840 422 D CB -0.049 40.888 40.800 0.227 0.000 0.947 422 D HN 0.165 nan 8.370 nan 0.000 0.452 423 F N 1.260 121.109 119.950 -0.168 0.000 2.051 423 F HA -0.203 4.322 4.527 -0.003 0.000 0.296 423 F C 2.668 178.380 175.800 -0.146 0.000 1.122 423 F CA 1.245 59.014 58.000 -0.385 0.000 1.201 423 F CB -0.748 38.002 39.000 -0.417 0.000 0.978 423 F HN 0.089 nan 8.300 nan 0.000 0.472 424 C N 0.513 119.811 119.300 -0.005 0.000 2.413 424 C HA -0.203 4.256 4.460 -0.002 0.000 0.276 424 C C 2.699 177.651 174.990 -0.063 0.000 1.248 424 C CA 1.466 60.477 59.018 -0.011 0.000 1.742 424 C CB -1.235 26.617 27.740 0.186 0.000 2.017 424 C HN 0.537 nan 8.230 nan 0.000 0.481 425 E N 0.620 120.773 120.200 -0.077 0.000 2.085 425 E HA -0.216 4.133 4.350 -0.002 0.000 0.194 425 E C 2.342 178.914 176.600 -0.048 0.000 0.994 425 E CA 1.460 57.842 56.400 -0.030 0.000 0.801 425 E CB -0.255 29.401 29.700 -0.072 0.000 0.743 425 E HN 0.689 nan 8.360 nan 0.000 0.453 426 A N 0.965 123.721 122.820 -0.106 0.000 1.883 426 A HA -0.187 4.132 4.320 -0.002 0.000 0.217 426 A C 2.180 179.685 177.584 -0.131 0.000 1.186 426 A CA 1.274 53.243 52.037 -0.115 0.000 0.624 426 A CB -0.658 18.237 19.000 -0.175 0.000 0.822 426 A HN 0.150 nan 8.150 nan 0.000 0.444 427 L N -1.011 120.071 121.223 -0.236 0.000 2.109 427 L HA -0.034 4.304 4.340 -0.002 0.000 0.207 427 L C 1.973 178.767 176.870 -0.126 0.000 1.086 427 L CA 0.669 55.407 54.840 -0.171 0.000 0.760 427 L CB -0.358 41.551 42.059 -0.249 0.000 0.910 427 L HN 0.312 nan 8.230 nan 0.000 0.437 428 L N -0.769 120.343 121.223 -0.185 0.000 2.591 428 L HA 0.039 4.377 4.340 -0.002 0.000 0.228 428 L C 0.812 177.754 176.870 0.121 0.000 1.133 428 L CA -0.241 54.440 54.840 -0.267 0.000 0.880 428 L CB -0.264 41.633 42.059 -0.270 0.000 1.033 428 L HN 0.205 nan 8.230 nan 0.000 0.450 429 Q N 1.592 121.463 119.800 0.118 0.000 2.264 429 Q HA -0.075 4.264 4.340 -0.002 0.000 0.296 429 Q C 0.939 177.075 176.000 0.228 0.000 1.103 429 Q CA 0.621 56.512 55.803 0.146 0.000 0.967 429 Q CB 0.866 29.659 28.738 0.091 0.000 1.090 429 Q HN 0.363 nan 8.270 nan 0.000 0.379 430 K N 1.519 122.045 120.400 0.209 0.000 2.211 430 K HA -0.134 4.185 4.320 -0.002 0.000 0.204 430 K C 0.440 177.090 176.600 0.083 0.000 1.047 430 K CA 0.688 57.080 56.287 0.175 0.000 0.935 430 K CB 0.220 32.791 32.500 0.117 0.000 0.728 430 K HN 0.445 nan 8.250 nan 0.000 0.452 431 D N 0.733 121.181 120.400 0.081 0.000 2.295 431 D HA 0.041 4.680 4.640 -0.002 0.000 0.248 431 D C -1.638 174.705 176.300 0.072 0.000 1.154 431 D CA -2.535 51.498 54.000 0.055 0.000 0.857 431 D CB 1.448 42.276 40.800 0.046 0.000 1.117 431 D HN -0.123 nan 8.370 nan 0.000 0.468 432 P HA -0.134 nan 4.420 nan 0.000 0.220 432 P C 0.721 178.065 177.300 0.075 0.000 1.148 432 P CA 0.802 63.952 63.100 0.082 0.000 0.803 432 P CB 0.575 32.317 31.700 0.069 0.000 0.782 433 E N 1.024 121.258 120.200 0.056 0.000 2.106 433 E HA -0.121 4.227 4.350 -0.002 0.000 0.192 433 E C 1.545 178.172 176.600 0.045 0.000 0.984 433 E CA 1.136 57.564 56.400 0.047 0.000 0.806 433 E CB -0.489 29.233 29.700 0.036 0.000 0.750 433 E HN 0.454 nan 8.360 nan 0.000 0.458 434 K N 0.699 121.128 120.400 0.049 0.000 2.417 434 K HA 0.105 4.424 4.320 -0.002 0.000 0.196 434 K C 0.829 177.457 176.600 0.047 0.000 1.023 434 K CA -0.168 56.145 56.287 0.044 0.000 1.122 434 K CB 0.466 32.993 32.500 0.045 0.000 0.850 434 K HN -0.120 nan 8.250 nan 0.000 0.521 435 R N 1.849 122.383 120.500 0.058 0.000 2.297 435 R HA 0.135 4.474 4.340 -0.002 0.000 0.308 435 R C -0.567 175.739 176.300 0.010 0.000 1.029 435 R CA -0.700 55.434 56.100 0.058 0.000 0.929 435 R CB 0.580 30.954 30.300 0.123 0.000 1.046 435 R HN -0.057 nan 8.270 nan 0.000 0.461 436 L N 4.162 125.363 121.223 -0.037 0.000 2.559 436 L HA 0.268 4.607 4.340 -0.002 0.000 0.274 436 L C 0.130 176.880 176.870 -0.201 0.000 1.205 436 L CA 1.369 56.151 54.840 -0.097 0.000 0.907 436 L CB 0.664 42.642 42.059 -0.134 0.000 1.153 436 L HN 0.872 nan 8.230 nan 0.000 0.490 437 G N 3.740 112.363 108.800 -0.294 0.000 2.664 437 G HA2 0.185 4.143 3.960 -0.002 0.000 0.303 437 G HA3 0.185 4.143 3.960 -0.002 0.000 0.303 437 G C -1.433 173.191 174.900 -0.460 0.000 1.243 437 G CA -0.726 43.978 45.100 -0.660 0.000 0.826 437 G HN 0.437 nan 8.290 nan 0.000 0.498 438 F N 2.452 122.157 119.950 -0.408 0.000 2.444 438 F HA 0.690 5.215 4.527 -0.002 0.000 0.360 438 F C 0.338 176.124 175.800 -0.023 0.000 1.106 438 F CA -0.552 57.398 58.000 -0.082 0.000 1.170 438 F CB 0.530 39.618 39.000 0.147 0.000 1.113 438 F HN 0.064 nan 8.300 nan 0.000 0.521 439 R N 4.400 124.658 120.500 -0.403 0.000 2.686 439 R HA 0.218 4.557 4.340 -0.002 0.000 0.286 439 R C -0.655 175.404 176.300 -0.402 0.000 0.969 439 R CA -0.763 55.176 56.100 -0.269 0.000 0.898 439 R CB 1.263 31.469 30.300 -0.156 0.000 1.183 439 R HN 0.745 nan 8.270 nan 0.000 0.456 440 D N 1.335 121.602 120.400 -0.223 0.000 2.704 440 D HA -0.188 4.451 4.640 -0.002 0.000 0.232 440 D C 0.679 176.815 176.300 -0.272 0.000 1.183 440 D CA 1.609 55.503 54.000 -0.177 0.000 0.647 440 D CB -0.849 39.871 40.800 -0.134 0.000 1.013 440 D HN 1.014 nan 8.370 nan 0.000 0.415 441 G N -0.297 108.283 108.800 -0.366 0.000 2.203 441 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.263 441 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.263 441 G C 0.273 174.824 174.900 -0.581 0.000 1.012 441 G CA 1.433 46.346 45.100 -0.311 0.000 0.749 441 G HN 1.491 nan 8.290 nan 0.000 0.512 442 S N -3.144 111.889 115.700 -1.111 0.000 2.611 442 S HA 0.491 4.960 4.470 -0.002 0.000 0.268 442 S C 0.295 174.543 174.600 -0.588 0.000 1.156 442 S CA 0.004 57.823 58.200 -0.635 0.000 0.817 442 S CB 1.199 64.214 63.200 -0.309 0.000 1.122 442 S HN 0.703 nan 8.310 nan 0.000 0.466 443 C N 1.291 120.448 119.300 -0.239 0.000 2.780 443 C HA 0.323 4.781 4.460 -0.002 0.000 0.287 443 C C 1.596 176.443 174.990 -0.238 0.000 1.288 443 C CA -0.125 58.798 59.018 -0.159 0.000 1.713 443 C CB -1.867 25.866 27.740 -0.012 0.000 1.955 443 C HN 0.917 nan 8.230 nan 0.000 0.613 444 D N 1.805 122.049 120.400 -0.261 0.000 2.149 444 D HA -0.122 4.517 4.640 -0.002 0.000 0.194 444 D C 2.238 178.431 176.300 -0.177 0.000 1.001 444 D CA 2.029 55.877 54.000 -0.253 0.000 0.849 444 D CB -0.463 40.221 40.800 -0.193 0.000 0.939 444 D HN 0.540 nan 8.370 nan 0.000 0.449 445 G N 0.784 109.500 108.800 -0.140 0.000 2.459 445 G HA2 -0.255 3.703 3.960 -0.002 0.000 0.217 445 G HA3 -0.255 3.703 3.960 -0.002 0.000 0.217 445 G C 1.647 176.547 174.900 0.001 0.000 1.183 445 G CA 0.786 45.846 45.100 -0.067 0.000 0.776 445 G HN 0.379 nan 8.290 nan 0.000 0.552 446 L N 0.050 121.267 121.223 -0.010 0.000 2.191 446 L HA 0.066 4.404 4.340 -0.002 0.000 0.212 446 L C 2.889 179.889 176.870 0.218 0.000 1.103 446 L CA 1.064 55.983 54.840 0.131 0.000 0.769 446 L CB -0.128 41.983 42.059 0.088 0.000 0.908 446 L HN 0.115 nan 8.230 nan 0.000 0.438 447 R N -1.065 119.404 120.500 -0.051 0.000 2.237 447 R HA -0.075 4.263 4.340 -0.002 0.000 0.219 447 R C 1.860 178.307 176.300 0.246 0.000 1.080 447 R CA 1.431 57.455 56.100 -0.127 0.000 0.995 447 R CB -0.404 29.369 30.300 -0.878 0.000 0.875 447 R HN 0.367 nan 8.270 nan 0.000 0.462 448 T N -0.227 114.437 114.554 0.185 0.000 3.035 448 T HA -0.098 4.251 4.350 -0.002 0.000 0.268 448 T C 0.677 175.540 174.700 0.272 0.000 1.109 448 T CA 0.370 62.591 62.100 0.202 0.000 1.119 448 T CB -0.262 68.669 68.868 0.105 0.000 0.900 448 T HN 0.272 nan 8.240 nan 0.000 0.503 449 H N 1.981 121.233 119.070 0.304 0.000 2.972 449 H HA -0.005 4.549 4.556 -0.002 0.000 0.343 449 H C -1.812 173.626 175.328 0.184 0.000 1.054 449 H CA -1.199 55.012 56.048 0.271 0.000 1.412 449 H CB 1.220 31.227 29.762 0.408 0.000 1.385 449 H HN -0.024 nan 8.280 nan 0.000 0.600 450 P HA -0.154 nan 4.420 nan 0.000 0.224 450 P C 1.620 178.909 177.300 -0.017 0.000 1.142 450 P CA 0.498 63.549 63.100 -0.082 0.000 0.778 450 P CB 0.101 31.688 31.700 -0.188 0.000 0.764 451 L N -1.641 119.600 121.223 0.031 0.000 2.141 451 L HA -0.024 4.315 4.340 -0.002 0.000 0.209 451 L C 1.280 177.840 176.870 -0.516 0.000 1.094 451 L CA 1.708 56.319 54.840 -0.381 0.000 0.763 451 L CB -0.832 40.679 42.059 -0.914 0.000 0.908 451 L HN -0.123 nan 8.230 nan 0.000 0.437 452 F N -0.732 119.215 119.950 -0.006 0.000 2.819 452 F HA 0.250 4.775 4.527 -0.002 0.000 0.294 452 F C 1.945 177.720 175.800 -0.042 0.000 1.166 452 F CA -0.252 57.717 58.000 -0.053 0.000 1.374 452 F CB -0.390 38.649 39.000 0.065 0.000 0.956 452 F HN 0.036 nan 8.300 nan 0.000 0.509 453 R N 0.419 120.962 120.500 0.071 0.000 2.148 453 R HA -0.097 4.241 4.340 -0.002 0.000 0.227 453 R C 0.452 176.756 176.300 0.007 0.000 1.103 453 R CA 1.699 57.830 56.100 0.051 0.000 0.983 453 R CB -0.188 30.122 30.300 0.018 0.000 0.874 453 R HN 0.142 nan 8.270 nan 0.000 0.451 454 D N 0.553 120.937 120.400 -0.027 0.000 2.336 454 D HA 0.138 4.776 4.640 -0.002 0.000 0.228 454 D C -0.233 176.015 176.300 -0.086 0.000 1.120 454 D CA 0.210 54.181 54.000 -0.049 0.000 0.839 454 D CB 0.421 41.190 40.800 -0.051 0.000 0.932 454 D HN 0.191 nan 8.370 nan 0.000 0.509 455 I N 1.216 121.695 120.570 -0.151 0.000 2.411 455 I HA 0.038 4.207 4.170 -0.002 0.000 0.284 455 I C 0.335 176.195 176.117 -0.429 0.000 1.012 455 I CA -0.426 60.675 61.300 -0.331 0.000 1.119 455 I CB 1.644 39.310 38.000 -0.556 0.000 1.261 455 I HN -0.237 nan 8.210 nan 0.000 0.448 456 S N 5.528 121.075 115.700 -0.255 0.000 2.429 456 S HA 0.085 4.554 4.470 -0.002 0.000 0.292 456 S C 0.852 175.358 174.600 -0.158 0.000 1.183 456 S CA -0.177 57.936 58.200 -0.145 0.000 1.088 456 S CB 0.127 63.295 63.200 -0.055 0.000 1.018 456 S HN 0.529 nan 8.310 nan 0.000 0.511 457 W N 4.934 126.225 121.300 -0.014 0.000 2.381 457 W HA -0.088 4.571 4.660 -0.003 0.000 0.301 457 W C 2.563 179.072 176.519 -0.016 0.000 1.205 457 W CA 1.047 58.368 57.345 -0.040 0.000 1.285 457 W CB -0.090 29.340 29.460 -0.050 0.000 1.133 457 W HN 0.756 nan 8.180 nan 0.000 0.521 458 R N 0.381 121.023 120.500 0.236 0.000 2.096 458 R HA -0.152 4.187 4.340 -0.002 0.000 0.235 458 R C 1.696 178.059 176.300 0.105 0.000 1.127 458 R CA 1.676 57.868 56.100 0.153 0.000 0.968 458 R CB -1.012 29.351 30.300 0.105 0.000 0.861 458 R HN 0.276 nan 8.270 nan 0.000 0.440 459 Q N 0.560 120.399 119.800 0.066 0.000 2.172 459 Q HA -0.058 4.280 4.340 -0.002 0.000 0.200 459 Q C 2.081 178.117 176.000 0.060 0.000 0.964 459 Q CA 0.962 56.788 55.803 0.040 0.000 0.855 459 Q CB -0.030 28.714 28.738 0.010 0.000 0.918 459 Q HN 0.279 nan 8.270 nan 0.000 0.444 460 L N 1.180 122.432 121.223 0.047 0.000 2.007 460 L HA -0.124 4.215 4.340 -0.002 0.000 0.205 460 L C 1.837 178.844 176.870 0.228 0.000 1.073 460 L CA 1.808 56.679 54.840 0.053 0.000 0.744 460 L CB -0.197 41.778 42.059 -0.139 0.000 0.898 460 L HN 0.064 nan 8.230 nan 0.000 0.435 461 E N -0.506 119.855 120.200 0.267 0.000 2.265 461 E HA -0.141 4.207 4.350 -0.002 0.000 0.196 461 E C 1.559 178.289 176.600 0.218 0.000 0.996 461 E CA 0.835 57.451 56.400 0.360 0.000 0.832 461 E CB -0.182 29.684 29.700 0.276 0.000 0.756 461 E HN 0.609 nan 8.360 nan 0.000 0.491 462 A N -0.010 122.889 122.820 0.133 0.000 2.423 462 A HA 0.374 4.692 4.320 -0.002 0.000 0.246 462 A C 1.502 179.102 177.584 0.027 0.000 1.278 462 A CA 0.475 52.544 52.037 0.053 0.000 0.903 462 A CB -0.122 18.902 19.000 0.041 0.000 0.997 462 A HN 0.258 nan 8.150 nan 0.000 0.510 463 G N -0.634 108.201 108.800 0.059 0.000 2.187 463 G HA2 -0.380 3.578 3.960 -0.002 0.000 0.261 463 G HA3 -0.380 3.578 3.960 -0.002 0.000 0.261 463 G C 0.861 175.794 174.900 0.055 0.000 1.000 463 G CA 1.051 46.178 45.100 0.045 0.000 0.718 463 G HN 0.448 nan 8.290 nan 0.000 0.519 464 M N -0.785 118.847 119.600 0.054 0.000 2.248 464 M HA 0.278 4.756 4.480 -0.002 0.000 0.265 464 M C 1.600 177.934 176.300 0.055 0.000 1.079 464 M CA 0.671 55.993 55.300 0.037 0.000 1.150 464 M CB 0.065 32.675 32.600 0.016 0.000 1.366 464 M HN 0.221 nan 8.290 nan 0.000 0.433 465 L N 1.319 122.597 121.223 0.093 0.000 2.490 465 L HA -0.013 4.325 4.340 -0.002 0.000 0.274 465 L C 0.134 177.079 176.870 0.126 0.000 1.201 465 L CA 0.021 54.931 54.840 0.118 0.000 0.869 465 L CB 0.532 42.707 42.059 0.193 0.000 1.123 465 L HN 0.100 nan 8.230 nan 0.000 0.484 466 T N 5.470 120.039 114.554 0.024 0.000 2.834 466 T HA 0.186 4.535 4.350 -0.002 0.000 0.298 466 T C -2.078 172.490 174.700 -0.219 0.000 0.966 466 T CA -0.770 61.295 62.100 -0.058 0.000 1.141 466 T CB 0.720 69.537 68.868 -0.085 0.000 0.905 466 T HN 0.382 nan 8.240 nan 0.000 0.535 467 P HA 0.219 nan 4.420 nan 0.000 0.272 467 P C -1.901 175.037 177.300 -0.604 0.000 1.240 467 P CA -1.380 61.275 63.100 -0.741 0.000 0.791 467 P CB 0.092 31.612 31.700 -0.300 0.000 0.978 468 P HA 0.177 nan 4.420 nan 0.000 0.255 468 P C -0.531 176.668 177.300 -0.168 0.000 1.248 468 P CA 0.566 63.414 63.100 -0.419 0.000 0.807 468 P CB 0.169 31.578 31.700 -0.486 0.000 1.150 469 F N 0.220 119.985 119.950 -0.309 0.000 2.653 469 F HA 0.355 4.881 4.527 -0.002 0.000 0.327 469 F C -1.412 174.320 175.800 -0.113 0.000 1.195 469 F CA -1.108 56.785 58.000 -0.180 0.000 0.993 469 F CB 1.567 40.461 39.000 -0.178 0.000 1.259 469 F HN -0.483 nan 8.300 nan 0.000 0.478 470 V N 7.347 126.876 119.914 -0.641 0.000 2.318 470 V HA 0.370 4.489 4.120 -0.002 0.000 0.271 470 V C -2.038 173.699 176.094 -0.596 0.000 1.030 470 V CA -1.671 60.370 62.300 -0.432 0.000 0.844 470 V CB 0.627 32.284 31.823 -0.277 0.000 1.015 470 V HN 0.584 nan 8.190 nan 0.000 0.460 471 P HA 0.086 nan 4.420 nan 0.000 0.266 471 P C -0.262 176.999 177.300 -0.064 0.000 1.195 471 P CA -0.042 63.021 63.100 -0.063 0.000 0.768 471 P CB 0.510 32.322 31.700 0.188 0.000 0.838 472 D N 0.744 121.144 120.400 -0.000 0.000 2.345 472 D HA 0.042 4.680 4.640 -0.002 0.000 0.247 472 D C 0.624 176.952 176.300 0.045 0.000 1.108 472 D CA 0.091 54.096 54.000 0.008 0.000 0.894 472 D CB 0.798 41.616 40.800 0.031 0.000 1.203 472 D HN 0.202 nan 8.370 nan 0.000 0.430 473 S N 2.506 118.223 115.700 0.029 0.000 2.584 473 S HA -0.097 4.371 4.470 -0.002 0.000 0.240 473 S C 1.347 175.975 174.600 0.046 0.000 0.975 473 S CA 0.653 58.876 58.200 0.038 0.000 0.949 473 S CB 0.105 63.323 63.200 0.030 0.000 0.761 473 S HN 0.429 nan 8.310 nan 0.000 0.536 474 R N 0.323 120.854 120.500 0.051 0.000 2.437 474 R HA 0.224 4.563 4.340 -0.002 0.000 0.257 474 R C -0.094 176.234 176.300 0.048 0.000 0.927 474 R CA 0.267 56.395 56.100 0.047 0.000 1.078 474 R CB 0.649 30.976 30.300 0.046 0.000 1.161 474 R HN 0.211 nan 8.270 nan 0.000 0.529 497 K N 1.496 121.915 120.400 0.032 0.000 2.057 497 K HA -0.025 4.294 4.320 -0.002 0.000 0.207 497 K C 1.454 178.058 176.600 0.008 0.000 1.049 497 K CA 1.938 58.242 56.287 0.028 0.000 0.931 497 K CB -0.328 32.186 32.500 0.024 0.000 0.714 497 K HN 0.429 nan 8.250 nan 0.000 0.440 498 A N 1.196 124.017 122.820 0.001 0.000 2.125 498 A HA -0.172 4.147 4.320 -0.002 0.000 0.219 498 A C 1.341 178.898 177.584 -0.044 0.000 1.156 498 A CA 1.796 53.827 52.037 -0.010 0.000 0.671 498 A CB -0.480 18.517 19.000 -0.005 0.000 0.794 498 A HN 0.458 nan 8.150 nan 0.000 0.459 499 D N 0.037 120.396 120.400 -0.069 0.000 2.075 499 D HA -0.105 4.534 4.640 -0.002 0.000 0.196 499 D C 2.053 178.005 176.300 -0.581 0.000 0.985 499 D CA 2.127 55.966 54.000 -0.267 0.000 0.834 499 D CB -0.990 39.784 40.800 -0.042 0.000 0.987 499 D HN 0.426 nan 8.370 nan 0.000 0.452 500 T N 1.248 115.698 114.554 -0.172 0.000 2.849 500 T HA -0.122 4.226 4.350 -0.002 0.000 0.270 500 T C 1.692 176.389 174.700 -0.006 0.000 1.066 500 T CA 1.009 63.130 62.100 0.035 0.000 1.130 500 T CB -0.163 68.787 68.868 0.138 0.000 0.864 500 T HN 0.308 nan 8.240 nan 0.000 0.481 501 E N 0.220 120.394 120.200 -0.044 0.000 2.107 501 E HA -0.015 4.333 4.350 -0.002 0.000 0.191 501 E C 1.814 178.403 176.600 -0.018 0.000 0.982 501 E CA 0.605 57.001 56.400 -0.006 0.000 0.809 501 E CB -0.252 29.455 29.700 0.012 0.000 0.756 501 E HN 0.489 nan 8.360 nan 0.000 0.459 502 F N 1.064 120.852 119.950 -0.270 0.000 2.134 502 F HA -0.189 4.336 4.527 -0.002 0.000 0.299 502 F C 1.768 177.452 175.800 -0.194 0.000 1.097 502 F CA 1.473 59.291 58.000 -0.305 0.000 1.264 502 F CB -0.314 38.367 39.000 -0.532 0.000 1.001 502 F HN -0.078 nan 8.300 nan 0.000 0.479 503 F N 0.131 120.029 119.950 -0.087 0.000 2.102 503 F HA -0.233 4.293 4.527 -0.003 0.000 0.298 503 F C 2.659 178.425 175.800 -0.057 0.000 1.105 503 F CA 1.179 59.098 58.000 -0.136 0.000 1.239 503 F CB -0.938 38.035 39.000 -0.046 0.000 0.991 503 F HN -0.032 nan 8.300 nan 0.000 0.474 504 Q N 0.316 120.203 119.800 0.146 0.000 2.061 504 Q HA -0.258 4.081 4.340 -0.002 0.000 0.204 504 Q C 2.223 178.226 176.000 0.006 0.000 0.984 504 Q CA 1.832 57.681 55.803 0.076 0.000 0.846 504 Q CB -0.212 28.559 28.738 0.056 0.000 0.902 504 Q HN 0.415 nan 8.270 nan 0.000 0.421 505 E N -0.550 119.619 120.200 -0.051 0.000 2.106 505 E HA -0.188 4.161 4.350 -0.002 0.000 0.192 505 E C 1.697 178.203 176.600 -0.157 0.000 0.984 505 E CA 0.676 57.017 56.400 -0.099 0.000 0.806 505 E CB -0.064 29.580 29.700 -0.094 0.000 0.750 505 E HN 0.332 nan 8.360 nan 0.000 0.458 506 F N 1.633 121.350 119.950 -0.388 0.000 2.075 506 F HA -0.050 4.475 4.527 -0.003 0.000 0.297 506 F C 1.285 176.961 175.800 -0.207 0.000 1.113 506 F CA 1.325 59.091 58.000 -0.390 0.000 1.218 506 F CB -0.342 38.345 39.000 -0.522 0.000 0.984 506 F HN -0.071 nan 8.300 nan 0.000 0.472 507 A N 0.568 123.392 122.820 0.007 0.000 3.030 507 A HA 0.220 4.538 4.320 -0.002 0.000 0.273 507 A C 1.565 179.088 177.584 -0.101 0.000 1.841 507 A CA 0.546 52.564 52.037 -0.032 0.000 1.479 507 A CB -1.342 17.743 19.000 0.143 0.000 1.048 507 A HN 0.562 nan 8.150 nan 0.000 0.612 508 S N 0.706 116.277 115.700 -0.214 0.000 2.387 508 S HA 0.361 4.830 4.470 -0.002 0.000 0.226 508 S C 1.328 175.851 174.600 -0.128 0.000 1.026 508 S CA 0.966 59.067 58.200 -0.165 0.000 0.972 508 S CB -0.357 62.723 63.200 -0.200 0.000 0.814 508 S HN 2.098 nan 8.310 nan 0.000 0.477 509 G N 0.195 108.927 108.800 -0.113 0.000 2.348 509 G HA2 0.030 3.989 3.960 -0.002 0.000 0.199 509 G HA3 0.030 3.989 3.960 -0.002 0.000 0.199 509 G C -0.615 174.231 174.900 -0.090 0.000 1.235 509 G CA -0.355 44.706 45.100 -0.066 0.000 1.264 509 G HN 0.478 nan 8.290 nan 0.000 0.543 510 T N 0.834 115.281 114.554 -0.177 0.000 2.897 510 T HA 0.484 4.832 4.350 -0.002 0.000 0.294 510 T C 0.210 174.728 174.700 -0.303 0.000 1.004 510 T CA 0.309 62.214 62.100 -0.324 0.000 1.106 510 T CB 0.821 69.399 68.868 -0.484 0.000 0.949 510 T HN 0.798 nan 8.240 nan 0.000 0.520 511 C N 6.178 125.291 119.300 -0.312 0.000 2.285 511 C HA 0.298 4.757 4.460 -0.002 0.000 0.335 511 C C -0.844 174.061 174.990 -0.142 0.000 1.267 511 C CA -1.450 57.446 59.018 -0.202 0.000 1.762 511 C CB 0.530 28.169 27.740 -0.169 0.000 2.365 511 C HN 0.713 nan 8.230 nan 0.000 0.527 512 P HA -0.154 nan 4.420 nan 0.000 0.213 512 P C 1.423 178.744 177.300 0.035 0.000 1.176 512 P CA 1.518 64.614 63.100 -0.007 0.000 0.919 512 P CB 0.089 31.783 31.700 -0.011 0.000 0.791 513 I N -0.478 120.049 120.570 -0.073 0.000 2.099 513 I HA -0.198 3.971 4.170 -0.002 0.000 0.239 513 I C -0.648 175.417 176.117 -0.085 0.000 1.066 513 I CA 2.400 63.610 61.300 -0.150 0.000 1.324 513 I CB -2.203 35.538 38.000 -0.431 0.000 1.037 513 I HN 0.064 nan 8.210 nan 0.000 0.401 514 P HA -0.207 nan 4.420 nan 0.000 0.216 514 P C 1.416 178.770 177.300 0.091 0.000 1.150 514 P CA 1.390 64.519 63.100 0.049 0.000 0.837 514 P CB -0.157 31.575 31.700 0.052 0.000 0.786 515 W N 0.758 121.990 121.300 -0.113 0.000 2.353 515 W HA -0.175 4.483 4.660 -0.002 0.000 0.319 515 W C 2.428 178.947 176.519 0.001 0.000 1.207 515 W CA 1.644 58.948 57.345 -0.068 0.000 1.291 515 W CB -1.006 28.361 29.460 -0.155 0.000 1.159 515 W HN -0.080 nan 8.180 nan 0.000 0.478 516 Q N 0.006 119.881 119.800 0.124 0.000 2.062 516 Q HA -0.317 4.021 4.340 -0.002 0.000 0.209 516 Q C 2.083 177.939 176.000 -0.239 0.000 0.996 516 Q CA 2.419 58.149 55.803 -0.121 0.000 0.859 516 Q CB -0.610 28.121 28.738 -0.012 0.000 0.920 516 Q HN 0.451 nan 8.270 nan 0.000 0.415 517 E N 0.423 120.547 120.200 -0.126 0.000 2.070 517 E HA -0.263 4.085 4.350 -0.002 0.000 0.197 517 E C 1.980 178.516 176.600 -0.106 0.000 1.004 517 E CA 1.289 57.629 56.400 -0.100 0.000 0.805 517 E CB -0.049 29.645 29.700 -0.010 0.000 0.744 517 E HN 0.338 nan 8.360 nan 0.000 0.451 518 E N -0.055 120.094 120.200 -0.085 0.000 2.077 518 E HA -0.215 4.133 4.350 -0.002 0.000 0.193 518 E C 1.922 178.423 176.600 -0.165 0.000 0.989 518 E CA 1.001 57.368 56.400 -0.056 0.000 0.800 518 E CB 0.107 29.857 29.700 0.083 0.000 0.746 518 E HN 0.166 nan 8.360 nan 0.000 0.452 519 M N 0.247 119.625 119.600 -0.371 0.000 2.296 519 M HA -0.086 4.393 4.480 -0.002 0.000 0.265 519 M C 2.119 178.326 176.300 -0.155 0.000 1.064 519 M CA 1.089 56.190 55.300 -0.333 0.000 1.109 519 M CB -0.485 31.759 32.600 -0.593 0.000 1.396 519 M HN 0.245 nan 8.290 nan 0.000 0.430 520 I N -0.681 119.772 120.570 -0.195 0.000 2.385 520 I HA -0.189 3.980 4.170 -0.002 0.000 0.244 520 I C 2.108 178.196 176.117 -0.048 0.000 1.089 520 I CA 0.700 61.926 61.300 -0.124 0.000 1.410 520 I CB -0.276 37.586 38.000 -0.230 0.000 1.117 520 I HN 0.229 nan 8.210 nan 0.000 0.429 521 E N 0.261 120.425 120.200 -0.060 0.000 2.058 521 E HA -0.249 4.100 4.350 -0.002 0.000 0.194 521 E C 2.061 178.653 176.600 -0.013 0.000 0.997 521 E CA 1.898 58.278 56.400 -0.033 0.000 0.801 521 E CB -0.204 29.475 29.700 -0.036 0.000 0.746 521 E HN 0.276 nan 8.360 nan 0.000 0.450 522 T N -1.598 112.949 114.554 -0.012 0.000 3.007 522 T HA -0.003 4.346 4.350 -0.002 0.000 0.270 522 T C 1.297 176.016 174.700 0.032 0.000 1.107 522 T CA 1.192 63.297 62.100 0.008 0.000 1.118 522 T CB -0.257 68.620 68.868 0.016 0.000 0.889 522 T HN 0.467 nan 8.240 nan 0.000 0.506 523 G N -0.340 108.486 108.800 0.043 0.000 2.175 523 G HA2 -0.262 3.696 3.960 -0.002 0.000 0.244 523 G HA3 -0.262 3.696 3.960 -0.002 0.000 0.244 523 G C 1.020 175.988 174.900 0.112 0.000 0.982 523 G CA 0.397 45.541 45.100 0.073 0.000 0.641 523 G HN 0.481 nan 8.290 nan 0.000 0.527 524 V N 0.217 120.208 119.914 0.128 0.000 2.515 524 V HA -0.044 4.075 4.120 -0.002 0.000 0.250 524 V C 2.216 178.494 176.094 0.307 0.000 1.058 524 V CA 2.391 64.810 62.300 0.198 0.000 1.064 524 V CB -0.649 31.300 31.823 0.209 0.000 0.675 524 V HN 0.475 nan 8.190 nan 0.000 0.461 525 F N 2.059 122.054 119.950 0.075 0.000 2.051 525 F HA -0.041 4.485 4.527 -0.002 0.000 0.296 525 F C 2.304 178.190 175.800 0.143 0.000 1.122 525 F CA 1.751 59.758 58.000 0.013 0.000 1.201 525 F CB -1.051 37.783 39.000 -0.276 0.000 0.978 525 F HN 0.158 nan 8.300 nan 0.000 0.472 526 G N 0.074 108.953 108.800 0.132 0.000 2.505 526 G HA2 -0.328 3.630 3.960 -0.002 0.000 0.220 526 G HA3 -0.328 3.630 3.960 -0.002 0.000 0.220 526 G C 1.486 176.405 174.900 0.032 0.000 1.145 526 G CA 1.314 46.445 45.100 0.052 0.000 0.761 526 G HN 0.394 nan 8.290 nan 0.000 0.571 527 D N 0.322 120.770 120.400 0.080 0.000 2.084 527 D HA -0.034 4.604 4.640 -0.002 0.000 0.196 527 D C 2.490 178.836 176.300 0.077 0.000 0.985 527 D CA 0.733 54.779 54.000 0.078 0.000 0.826 527 D CB -0.150 40.705 40.800 0.092 0.000 0.978 527 D HN 0.288 nan 8.370 nan 0.000 0.456 528 L N 0.660 121.965 121.223 0.136 0.000 2.591 528 L HA 0.060 4.399 4.340 -0.002 0.000 0.228 528 L C 1.655 178.597 176.870 0.119 0.000 1.133 528 L CA 0.124 55.033 54.840 0.115 0.000 0.880 528 L CB -0.029 42.090 42.059 0.100 0.000 1.033 528 L HN -0.027 nan 8.230 nan 0.000 0.450 529 N N 0.449 119.186 118.700 0.063 0.000 2.276 529 N HA 0.032 4.771 4.740 -0.002 0.000 0.212 529 N C 0.150 175.689 175.510 0.049 0.000 1.127 529 N CA -0.155 52.891 53.050 -0.006 0.000 0.834 529 N CB 0.668 38.815 38.487 -0.566 0.000 1.014 529 N HN 0.089 nan 8.380 nan 0.000 0.491 530 V N -2.030 117.928 119.914 0.072 0.000 2.881 530 V HA 0.160 4.278 4.120 -0.002 0.000 0.303 530 V C 0.923 177.139 176.094 0.203 0.000 1.070 530 V CA -0.546 61.825 62.300 0.118 0.000 1.074 530 V CB 1.682 33.548 31.823 0.072 0.000 1.012 530 V HN 0.261 nan 8.190 nan 0.000 0.482 531 W N 4.126 125.428 121.300 0.003 0.000 2.952 531 W HA 0.329 4.987 4.660 -0.002 0.000 0.251 531 W C 0.591 177.111 176.519 0.000 0.000 1.144 531 W CA 0.360 57.705 57.345 -0.000 0.000 1.551 531 W CB 0.602 30.069 29.460 0.013 0.000 0.978 531 W HN 0.783 nan 8.180 nan 0.000 0.648 532 R N 1.910 122.477 120.500 0.113 0.000 3.039 532 R HA 0.319 4.657 4.340 -0.002 0.000 0.264 532 R C -2.633 173.693 176.300 0.043 0.000 1.708 532 R CA -0.932 55.172 56.100 0.006 0.000 1.134 532 R CB -0.143 30.168 30.300 0.019 0.000 1.386 532 R HN -0.161 nan 8.270 nan 0.000 0.477 533 P HA 0.000 nan 4.420 nan 0.000 0.216 533 P CA 0.000 63.117 63.100 0.028 0.000 0.800 533 P CB 0.000 31.712 31.700 0.021 0.000 0.726