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 2gmv_1_B DATA FIRST_RESID 10 DATA SEQUENCE NLSAKVVQGS LDSLPQAVRE FLENNAELCQ PDHIHICDGS EEENGRLLGQ DATA SEQUENCE MEEEGILRRL KKYDNCWLAL TDPRDVARIE SKTVIVTQEQ RDTVPIPKTG DATA SEQUENCE LSQLGRWMSE EDFEKAFNAR FPGCMKGRTM YVIPFSMGPL GSPLSKIGIE DATA SEQUENCE LTDSPYVVAS MRIMTRMGTP VLEALGDGEF VKCLHSVGCP LPLQKPLVNN DATA SEQUENCE WPCNPELTLI AHLPDRREII SFGSGYGGNS LLGKKCFALR MASRLAKEEG DATA SEQUENCE WLAEHMLVLG ITNPEGEKKY LAAAFPSACG KTNLAMMNPS LPGWKVECVG DATA SEQUENCE DDIAWMKFDA QGHLRAINPE NGFFGVAPGT SVKTNPNAIK TIQKNTIFTN DATA SEQUENCE VAETSDGGVY WEGIDEPLAS GVTITSWKNK EWSSEDGEPC AHPNSRFCTP DATA SEQUENCE ASQCPIIDAA WESPEGVPIE GIIFGGRRPA GVPLVYEALS WQHGVFVGAA DATA SEQUENCE MRSEAXXXXX XXXKIIMHDP FAMRPFFGYN FGKYLAHWLS MAQHPAAKLP DATA SEQUENCE KIFHVNWFRK DKEGKFLWPG FGENSRVLEW MFNRIDGXXX TKLTPIGYIP DATA SEQUENCE KEDALNLKGL GHINMMELFS ISKEFWDKEV EDIEKYLVDQ VNADLPCEIE DATA SEQUENCE REILALKQRI SQM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.507 175.510 -0.005 0.000 1.280 10 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 10 N CB 0.000 38.485 38.487 -0.004 0.000 1.341 11 L N 2.383 123.603 121.223 -0.006 0.000 2.189 11 L HA 0.066 4.405 4.340 -0.002 0.000 0.214 11 L C 1.958 178.826 176.870 -0.004 0.000 1.097 11 L CA 1.977 56.812 54.840 -0.008 0.000 0.764 11 L CB -0.792 41.263 42.059 -0.007 0.000 0.900 11 L HN 0.473 nan 8.230 nan 0.000 0.436 12 S N -0.608 115.092 115.700 -0.000 0.000 2.399 12 S HA -0.149 4.320 4.470 -0.002 0.000 0.231 12 S C 2.106 176.710 174.600 0.007 0.000 1.022 12 S CA 0.953 59.154 58.200 0.002 0.000 0.983 12 S CB -0.515 62.686 63.200 0.002 0.000 0.803 12 S HN 0.653 nan 8.310 nan 0.000 0.480 13 A N 1.748 124.573 122.820 0.009 0.000 1.972 13 A HA -0.085 4.234 4.320 -0.002 0.000 0.219 13 A C 2.005 179.613 177.584 0.040 0.000 1.169 13 A CA 1.230 53.278 52.037 0.019 0.000 0.635 13 A CB -0.348 18.660 19.000 0.014 0.000 0.810 13 A HN 0.431 nan 8.150 nan 0.000 0.446 14 K N -0.270 120.149 120.400 0.032 0.000 2.365 14 K HA 0.066 4.385 4.320 -0.002 0.000 0.199 14 K C 0.023 176.679 176.600 0.093 0.000 1.045 14 K CA 0.202 56.525 56.287 0.059 0.000 0.962 14 K CB -0.138 32.353 32.500 -0.015 0.000 0.759 14 K HN 0.339 nan 8.250 nan 0.000 0.469 15 V N 1.935 121.873 119.914 0.041 0.000 2.637 15 V HA -0.028 4.091 4.120 -0.002 0.000 0.296 15 V C 1.080 177.176 176.094 0.004 0.000 1.046 15 V CA 0.104 62.413 62.300 0.015 0.000 1.066 15 V CB 1.359 33.178 31.823 -0.008 0.000 0.968 15 V HN 0.129 nan 8.190 nan 0.000 0.483 16 V N 0.771 120.667 119.914 -0.030 0.000 3.398 16 V HA 0.474 4.593 4.120 -0.002 0.000 0.298 16 V C 0.062 176.076 176.094 -0.132 0.000 1.496 16 V CA 0.182 62.442 62.300 -0.066 0.000 1.044 16 V CB 0.013 31.791 31.823 -0.076 0.000 0.880 16 V HN 0.871 nan 8.190 nan 0.000 0.443 17 Q N 0.030 119.722 119.800 -0.179 0.000 2.438 17 Q HA 0.523 4.862 4.340 -0.002 0.000 0.272 17 Q C -0.148 175.753 176.000 -0.165 0.000 0.994 17 Q CA 0.225 55.882 55.803 -0.242 0.000 0.887 17 Q CB 2.082 30.497 28.738 -0.539 0.000 1.432 17 Q HN 1.170 nan 8.270 nan 0.000 0.392 18 G N 1.481 110.214 108.800 -0.111 0.000 2.782 18 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.228 18 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.228 18 G C -0.994 173.880 174.900 -0.043 0.000 1.372 18 G CA -0.112 44.949 45.100 -0.065 0.000 0.862 18 G HN 0.798 nan 8.290 nan 0.000 0.547 19 S N -1.279 114.405 115.700 -0.026 0.000 2.557 19 S HA 0.615 5.084 4.470 -0.002 0.000 0.291 19 S C 1.467 176.062 174.600 -0.009 0.000 1.116 19 S CA -0.069 58.121 58.200 -0.017 0.000 0.992 19 S CB 1.442 64.634 63.200 -0.013 0.000 1.028 19 S HN 0.998 nan 8.310 nan 0.000 0.484 20 L N 3.166 124.386 121.223 -0.004 0.000 2.127 20 L HA -0.090 4.249 4.340 -0.002 0.000 0.211 20 L C 1.374 178.247 176.870 0.006 0.000 1.089 20 L CA 1.513 56.354 54.840 0.003 0.000 0.757 20 L CB -0.421 41.641 42.059 0.005 0.000 0.899 20 L HN 0.677 nan 8.230 nan 0.000 0.434 21 D N -1.065 119.337 120.400 0.003 0.000 2.323 21 D HA -0.099 4.540 4.640 -0.002 0.000 0.209 21 D C 2.047 178.349 176.300 0.004 0.000 0.973 21 D CA 0.995 54.998 54.000 0.005 0.000 0.874 21 D CB 0.157 40.959 40.800 0.003 0.000 0.930 21 D HN 0.277 nan 8.370 nan 0.000 0.521 22 S N -0.268 115.432 115.700 0.000 0.000 2.575 22 S HA 0.118 4.587 4.470 -0.002 0.000 0.215 22 S C 0.758 175.357 174.600 -0.001 0.000 0.966 22 S CA -0.273 57.926 58.200 -0.001 0.000 0.911 22 S CB -0.162 63.035 63.200 -0.005 0.000 0.780 22 S HN 0.098 nan 8.310 nan 0.000 0.514 23 L N 2.180 123.404 121.223 0.001 0.000 2.417 23 L HA 0.371 4.710 4.340 -0.002 0.000 0.268 23 L C -2.312 174.563 176.870 0.008 0.000 1.158 23 L CA -2.216 52.624 54.840 -0.000 0.000 0.819 23 L CB -0.188 41.874 42.059 0.006 0.000 1.112 23 L HN -0.021 nan 8.230 nan 0.000 0.458 24 P HA -0.033 nan 4.420 nan 0.000 0.267 24 P C 0.044 177.376 177.300 0.053 0.000 1.200 24 P CA -0.185 62.929 63.100 0.024 0.000 0.772 24 P CB 0.588 32.298 31.700 0.017 0.000 0.855 25 Q N 3.534 123.371 119.800 0.061 0.000 2.112 25 Q HA -0.230 4.109 4.340 -0.002 0.000 0.206 25 Q C 1.915 177.984 176.000 0.116 0.000 0.987 25 Q CA 2.614 58.461 55.803 0.072 0.000 0.858 25 Q CB -1.199 27.573 28.738 0.057 0.000 0.905 25 Q HN 0.530 nan 8.270 nan 0.000 0.420 26 A N -0.835 122.079 122.820 0.158 0.000 1.930 26 A HA -0.094 4.225 4.320 -0.002 0.000 0.217 26 A C 2.271 180.087 177.584 0.386 0.000 1.175 26 A CA 1.529 53.717 52.037 0.252 0.000 0.627 26 A CB -0.652 18.522 19.000 0.290 0.000 0.815 26 A HN 0.272 nan 8.150 nan 0.000 0.443 27 V N 0.047 120.116 119.914 0.258 0.000 2.358 27 V HA -0.234 3.885 4.120 -0.002 0.000 0.246 27 V C 2.618 178.830 176.094 0.196 0.000 1.047 27 V CA 2.188 64.564 62.300 0.127 0.000 1.035 27 V CB -0.823 30.918 31.823 -0.137 0.000 0.658 27 V HN 0.709 nan 8.190 nan 0.000 0.452 28 R N 0.375 120.950 120.500 0.126 0.000 2.083 28 R HA -0.230 4.109 4.340 -0.002 0.000 0.237 28 R C 2.245 178.616 176.300 0.118 0.000 1.137 28 R CA 2.248 58.404 56.100 0.094 0.000 0.951 28 R CB -0.258 30.080 30.300 0.064 0.000 0.851 28 R HN 0.606 nan 8.270 nan 0.000 0.434 29 E N -0.412 119.881 120.200 0.155 0.000 2.072 29 E HA -0.197 4.152 4.350 -0.002 0.000 0.191 29 E C 1.710 178.436 176.600 0.211 0.000 0.985 29 E CA 1.239 57.729 56.400 0.150 0.000 0.801 29 E CB -0.253 29.529 29.700 0.135 0.000 0.750 29 E HN 0.291 nan 8.360 nan 0.000 0.452 30 F N 1.609 121.646 119.950 0.145 0.000 2.091 30 F HA -0.245 4.280 4.527 -0.002 0.000 0.299 30 F C 2.038 177.912 175.800 0.123 0.000 1.103 30 F CA 1.303 59.406 58.000 0.171 0.000 1.228 30 F CB -0.504 38.699 39.000 0.338 0.000 0.984 30 F HN 0.030 nan 8.300 nan 0.000 0.477 31 L N 0.611 121.810 121.223 -0.040 0.000 2.027 31 L HA -0.127 4.212 4.340 -0.002 0.000 0.206 31 L C 2.275 179.094 176.870 -0.085 0.000 1.074 31 L CA 2.115 56.863 54.840 -0.153 0.000 0.745 31 L CB -1.219 40.815 42.059 -0.041 0.000 0.898 31 L HN 0.212 nan 8.230 nan 0.000 0.433 32 E N -0.245 119.948 120.200 -0.011 0.000 2.033 32 E HA -0.261 4.088 4.350 -0.002 0.000 0.199 32 E C 2.016 178.613 176.600 -0.005 0.000 1.011 32 E CA 1.870 58.270 56.400 0.001 0.000 0.815 32 E CB -0.129 29.588 29.700 0.028 0.000 0.755 32 E HN 0.507 nan 8.360 nan 0.000 0.451 33 N N 0.554 119.260 118.700 0.010 0.000 2.036 33 N HA -0.157 4.582 4.740 -0.002 0.000 0.195 33 N C 1.350 176.861 175.510 0.003 0.000 1.037 33 N CA 1.367 54.430 53.050 0.022 0.000 0.855 33 N CB -0.507 38.015 38.487 0.058 0.000 1.033 33 N HN 0.218 nan 8.380 nan 0.000 0.423 34 N N 0.369 119.036 118.700 -0.055 0.000 2.457 34 N HA 0.041 4.780 4.740 -0.002 0.000 0.180 34 N C 1.309 176.801 175.510 -0.030 0.000 1.050 34 N CA 0.575 53.596 53.050 -0.049 0.000 0.906 34 N CB 0.036 38.425 38.487 -0.164 0.000 0.968 34 N HN 0.232 nan 8.380 nan 0.000 0.445 35 A N 0.930 123.722 122.820 -0.048 0.000 2.021 35 A HA -0.076 4.243 4.320 -0.002 0.000 0.216 35 A C 2.122 179.696 177.584 -0.017 0.000 1.163 35 A CA 1.031 53.049 52.037 -0.033 0.000 0.676 35 A CB -0.145 18.831 19.000 -0.041 0.000 0.818 35 A HN 0.241 nan 8.150 nan 0.000 0.453 36 E N -0.133 120.062 120.200 -0.008 0.000 2.112 36 E HA -0.103 4.246 4.350 -0.002 0.000 0.190 36 E C 1.727 178.332 176.600 0.008 0.000 0.979 36 E CA 1.162 57.562 56.400 -0.001 0.000 0.814 36 E CB -0.329 29.374 29.700 0.006 0.000 0.762 36 E HN 0.406 nan 8.360 nan 0.000 0.460 37 L N -0.117 121.120 121.223 0.023 0.000 2.023 37 L HA -0.018 4.321 4.340 -0.002 0.000 0.205 37 L C 2.015 178.904 176.870 0.031 0.000 1.073 37 L CA 1.764 56.626 54.840 0.037 0.000 0.745 37 L CB -0.609 41.496 42.059 0.077 0.000 0.900 37 L HN 0.313 nan 8.230 nan 0.000 0.435 38 C N -0.301 119.026 119.300 0.045 0.000 2.495 38 C HA 0.142 4.601 4.460 -0.002 0.000 0.275 38 C C 0.818 175.814 174.990 0.011 0.000 1.392 38 C CA -0.312 58.739 59.018 0.054 0.000 1.766 38 C CB -0.712 27.082 27.740 0.091 0.000 1.933 38 C HN 0.700 nan 8.230 nan 0.000 0.519 39 Q N -0.899 118.898 119.800 -0.006 0.000 2.470 39 Q HA -0.143 4.196 4.340 -0.002 0.000 0.294 39 Q C -2.372 173.600 176.000 -0.046 0.000 1.356 39 Q CA 0.693 56.478 55.803 -0.029 0.000 0.805 39 Q CB -1.847 26.874 28.738 -0.029 0.000 1.157 39 Q HN 0.450 nan 8.270 nan 0.000 0.431 40 P HA 0.049 nan 4.420 nan 0.000 0.271 40 P C 0.449 177.673 177.300 -0.127 0.000 1.233 40 P CA -0.042 63.018 63.100 -0.067 0.000 0.789 40 P CB 0.634 32.300 31.700 -0.055 0.000 0.951 41 D N -1.070 119.218 120.400 -0.186 0.000 2.305 41 D HA 0.031 4.671 4.640 -0.002 0.000 0.206 41 D C 0.168 175.994 176.300 -0.791 0.000 0.974 41 D CA 1.302 55.048 54.000 -0.423 0.000 0.871 41 D CB -0.062 40.502 40.800 -0.394 0.000 0.947 41 D HN 0.548 nan 8.370 nan 0.000 0.516 42 H N -1.633 117.400 119.070 -0.061 0.000 3.008 42 H HA 0.450 5.005 4.556 -0.002 0.000 0.354 42 H C -0.746 174.521 175.328 -0.101 0.000 1.252 42 H CA -0.885 55.121 56.048 -0.070 0.000 1.117 42 H CB 1.884 31.606 29.762 -0.067 0.000 1.857 42 H HN -0.284 nan 8.280 nan 0.000 0.547 43 I N 1.199 121.798 120.570 0.050 0.000 2.509 43 I HA 0.218 4.387 4.170 -0.002 0.000 0.293 43 I C -0.590 175.528 176.117 0.001 0.000 1.020 43 I CA -0.283 61.009 61.300 -0.014 0.000 1.088 43 I CB 1.433 39.428 38.000 -0.010 0.000 1.267 43 I HN 0.761 nan 8.210 nan 0.000 0.430 44 H N 5.902 124.879 119.070 -0.156 0.000 2.991 44 H HA 0.541 5.096 4.556 -0.002 0.000 0.304 44 H C -0.980 174.351 175.328 0.006 0.000 1.040 44 H CA -0.478 55.508 56.048 -0.103 0.000 1.410 44 H CB 0.983 30.610 29.762 -0.226 0.000 1.529 44 H HN 0.509 nan 8.280 nan 0.000 0.509 45 I N 5.728 126.303 120.570 0.008 0.000 2.406 45 I HA 0.018 4.187 4.170 -0.002 0.000 0.293 45 I C 0.279 176.464 176.117 0.114 0.000 1.101 45 I CA -0.377 60.968 61.300 0.075 0.000 1.334 45 I CB 0.029 38.033 38.000 0.007 0.000 1.421 45 I HN 0.634 nan 8.210 nan 0.000 0.513 46 C N 5.505 124.967 119.300 0.269 0.000 2.634 46 C HA -0.018 4.441 4.460 -0.002 0.000 0.418 46 C C 1.512 176.573 174.990 0.117 0.000 1.373 46 C CA -0.283 58.886 59.018 0.250 0.000 1.756 46 C CB -0.463 27.408 27.740 0.217 0.000 2.589 46 C HN 0.816 nan 8.230 nan 0.000 0.602 47 D N -0.149 120.305 120.400 0.090 0.000 2.407 47 D HA 0.202 4.841 4.640 -0.002 0.000 0.208 47 D C 1.459 177.786 176.300 0.045 0.000 1.083 47 D CA 0.613 54.641 54.000 0.047 0.000 0.844 47 D CB -0.229 40.584 40.800 0.022 0.000 0.967 47 D HN 0.901 nan 8.370 nan 0.000 0.506 48 G N 0.707 109.542 108.800 0.058 0.000 2.168 48 G HA2 -0.318 3.641 3.960 -0.002 0.000 0.263 48 G HA3 -0.318 3.641 3.960 -0.002 0.000 0.263 48 G C 0.457 175.372 174.900 0.025 0.000 0.977 48 G CA 0.608 45.728 45.100 0.034 0.000 0.659 48 G HN 0.932 nan 8.290 nan 0.000 0.533 49 S N -0.607 115.112 115.700 0.032 0.000 2.563 49 S HA 0.310 4.779 4.470 -0.002 0.000 0.284 49 S C 1.036 175.650 174.600 0.024 0.000 1.331 49 S CA 0.715 58.931 58.200 0.026 0.000 1.047 49 S CB 1.641 64.858 63.200 0.027 0.000 0.859 49 S HN 0.422 nan 8.310 nan 0.000 0.514 50 E N 0.930 121.143 120.200 0.021 0.000 2.338 50 E HA -0.131 4.218 4.350 -0.002 0.000 0.197 50 E C 1.291 177.905 176.600 0.024 0.000 1.007 50 E CA 0.940 57.353 56.400 0.020 0.000 0.849 50 E CB 0.030 29.745 29.700 0.026 0.000 0.774 50 E HN 0.814 nan 8.360 nan 0.000 0.506 51 E N 0.495 120.713 120.200 0.029 0.000 2.107 51 E HA -0.162 4.187 4.350 -0.002 0.000 0.191 51 E C 1.713 178.335 176.600 0.037 0.000 0.982 51 E CA 0.774 57.195 56.400 0.034 0.000 0.809 51 E CB -0.066 29.654 29.700 0.033 0.000 0.756 51 E HN 0.240 nan 8.360 nan 0.000 0.459 52 E N 0.520 120.747 120.200 0.045 0.000 2.077 52 E HA -0.249 4.100 4.350 -0.002 0.000 0.193 52 E C 1.833 178.444 176.600 0.018 0.000 0.989 52 E CA 1.235 57.676 56.400 0.069 0.000 0.800 52 E CB -0.051 29.709 29.700 0.101 0.000 0.746 52 E HN 0.103 nan 8.360 nan 0.000 0.452 53 N N -0.434 118.260 118.700 -0.011 0.000 2.223 53 N HA -0.100 4.639 4.740 -0.002 0.000 0.185 53 N C 1.651 177.114 175.510 -0.079 0.000 1.016 53 N CA 1.522 54.533 53.050 -0.064 0.000 0.863 53 N CB -0.325 38.128 38.487 -0.056 0.000 0.983 53 N HN 0.202 nan 8.380 nan 0.000 0.429 54 G N -0.196 108.591 108.800 -0.023 0.000 2.403 54 G HA2 -0.156 3.803 3.960 -0.002 0.000 0.216 54 G HA3 -0.156 3.803 3.960 -0.002 0.000 0.216 54 G C 1.611 176.508 174.900 -0.005 0.000 1.154 54 G CA 0.143 45.243 45.100 0.000 0.000 0.784 54 G HN 0.254 nan 8.290 nan 0.000 0.538 55 R N -0.399 120.106 120.500 0.009 0.000 2.152 55 R HA 0.129 4.468 4.340 -0.002 0.000 0.232 55 R C 2.399 178.693 176.300 -0.010 0.000 1.117 55 R CA 0.606 56.719 56.100 0.023 0.000 0.981 55 R CB -0.239 30.096 30.300 0.059 0.000 0.870 55 R HN 0.339 nan 8.270 nan 0.000 0.451 56 L N -0.024 121.160 121.223 -0.066 0.000 2.202 56 L HA -0.039 4.300 4.340 -0.002 0.000 0.205 56 L C 2.179 178.935 176.870 -0.190 0.000 1.083 56 L CA 0.528 55.289 54.840 -0.130 0.000 0.790 56 L CB -0.172 41.768 42.059 -0.199 0.000 0.942 56 L HN 0.170 nan 8.230 nan 0.000 0.452 57 L N -0.277 120.783 121.223 -0.272 0.000 2.127 57 L HA -0.152 4.187 4.340 -0.002 0.000 0.211 57 L C 2.530 179.223 176.870 -0.294 0.000 1.089 57 L CA 1.383 55.912 54.840 -0.518 0.000 0.757 57 L CB -0.853 40.760 42.059 -0.743 0.000 0.899 57 L HN 0.316 nan 8.230 nan 0.000 0.434 58 G N -1.060 107.693 108.800 -0.078 0.000 2.394 58 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.215 58 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.215 58 G C 1.463 176.393 174.900 0.050 0.000 1.165 58 G CA 0.196 45.328 45.100 0.053 0.000 0.784 58 G HN 0.364 nan 8.290 nan 0.000 0.535 59 Q N -0.252 119.557 119.800 0.015 0.000 2.020 59 Q HA 0.025 4.364 4.340 -0.002 0.000 0.202 59 Q C 2.650 178.670 176.000 0.033 0.000 0.982 59 Q CA 1.297 57.117 55.803 0.029 0.000 0.838 59 Q CB -0.285 28.466 28.738 0.021 0.000 0.899 59 Q HN 0.386 nan 8.270 nan 0.000 0.423 60 M N 0.383 119.981 119.600 -0.003 0.000 2.195 60 M HA -0.222 4.257 4.480 -0.002 0.000 0.260 60 M C 2.083 178.438 176.300 0.093 0.000 1.066 60 M CA 1.340 56.653 55.300 0.021 0.000 1.089 60 M CB -0.208 32.370 32.600 -0.038 0.000 1.377 60 M HN 0.277 nan 8.290 nan 0.000 0.411 61 E N 0.238 120.514 120.200 0.127 0.000 2.076 61 E HA -0.140 4.209 4.350 -0.002 0.000 0.190 61 E C 1.379 178.078 176.600 0.166 0.000 0.979 61 E CA 0.671 57.216 56.400 0.242 0.000 0.807 61 E CB 0.263 30.210 29.700 0.412 0.000 0.761 61 E HN 0.372 nan 8.360 nan 0.000 0.454 62 E N 0.442 120.716 120.200 0.123 0.000 2.526 62 E HA -0.095 4.255 4.350 -0.002 0.000 0.198 62 E C 1.035 177.683 176.600 0.080 0.000 1.091 62 E CA 0.452 56.909 56.400 0.094 0.000 0.880 62 E CB 0.351 30.097 29.700 0.077 0.000 0.873 62 E HN 0.298 nan 8.360 nan 0.000 0.527 63 E N -1.053 119.199 120.200 0.088 0.000 2.399 63 E HA 0.094 4.443 4.350 -0.002 0.000 0.205 63 E C 1.295 177.947 176.600 0.087 0.000 0.906 63 E CA 0.677 57.122 56.400 0.076 0.000 0.998 63 E CB 1.192 30.932 29.700 0.067 0.000 1.002 63 E HN 0.298 nan 8.360 nan 0.000 0.501 64 G N 1.405 110.271 108.800 0.110 0.000 2.213 64 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.226 64 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.226 64 G C 1.182 176.170 174.900 0.147 0.000 0.992 64 G CA 0.379 45.550 45.100 0.118 0.000 0.632 64 G HN 0.246 nan 8.290 nan 0.000 0.511 65 I N 0.273 120.932 120.570 0.149 0.000 2.163 65 I HA 0.068 4.237 4.170 -0.002 0.000 0.243 65 I C 1.414 177.668 176.117 0.229 0.000 1.085 65 I CA 1.370 62.780 61.300 0.184 0.000 1.347 65 I CB -0.096 37.986 38.000 0.137 0.000 1.044 65 I HN 0.164 nan 8.210 nan 0.000 0.408 66 L N 0.091 121.454 121.223 0.234 0.000 2.341 66 L HA 0.498 4.837 4.340 -0.002 0.000 0.267 66 L C -0.351 176.745 176.870 0.376 0.000 1.009 66 L CA -0.801 54.236 54.840 0.330 0.000 0.819 66 L CB 2.081 44.329 42.059 0.316 0.000 1.323 66 L HN 0.152 nan 8.230 nan 0.000 0.425 67 R N 1.416 122.158 120.500 0.404 0.000 2.673 67 R HA 0.600 4.939 4.340 -0.002 0.000 0.281 67 R C -1.003 175.413 176.300 0.193 0.000 0.991 67 R CA -0.965 55.305 56.100 0.284 0.000 0.896 67 R CB 2.034 32.437 30.300 0.172 0.000 1.201 67 R HN 0.517 nan 8.270 nan 0.000 0.457 68 R N 2.119 122.565 120.500 -0.090 0.000 2.641 68 R HA 0.239 4.578 4.340 -0.002 0.000 0.269 68 R C -0.673 175.503 176.300 -0.207 0.000 1.074 68 R CA -0.134 55.672 56.100 -0.489 0.000 1.133 68 R CB 0.616 30.543 30.300 -0.622 0.000 1.029 68 R HN 0.626 nan 8.270 nan 0.000 0.488 69 L N 5.505 126.607 121.223 -0.203 0.000 2.301 69 L HA 0.251 4.590 4.340 -0.002 0.000 0.278 69 L C 1.226 178.069 176.870 -0.046 0.000 1.022 69 L CA -0.315 54.519 54.840 -0.010 0.000 0.854 69 L CB 1.520 43.703 42.059 0.206 0.000 1.226 69 L HN 0.762 nan 8.230 nan 0.000 0.429 70 K N 2.431 122.777 120.400 -0.091 0.000 2.365 70 K HA -0.096 4.223 4.320 -0.002 0.000 0.199 70 K C 1.455 177.971 176.600 -0.139 0.000 1.045 70 K CA 0.882 57.104 56.287 -0.108 0.000 0.962 70 K CB 0.201 32.642 32.500 -0.098 0.000 0.759 70 K HN 0.409 nan 8.250 nan 0.000 0.469 71 K N 0.033 120.293 120.400 -0.234 0.000 2.504 71 K HA -0.015 4.304 4.320 -0.002 0.000 0.195 71 K C -0.641 175.611 176.600 -0.580 0.000 1.036 71 K CA 0.449 56.465 56.287 -0.451 0.000 0.984 71 K CB 0.127 32.233 32.500 -0.656 0.000 0.788 71 K HN 0.173 nan 8.250 nan 0.000 0.488 72 Y N -0.756 119.529 120.300 -0.025 0.000 2.605 72 Y HA 0.160 4.709 4.550 -0.001 0.000 0.343 72 Y C -0.567 175.330 175.900 -0.004 0.000 1.036 72 Y CA -1.674 56.430 58.100 0.007 0.000 1.065 72 Y CB 1.122 39.619 38.460 0.061 0.000 1.288 72 Y HN -0.109 nan 8.280 nan 0.000 0.481 73 D N 1.446 121.969 120.400 0.205 0.000 2.325 73 D HA 0.046 4.685 4.640 -0.002 0.000 0.251 73 D C 0.050 176.428 176.300 0.130 0.000 1.196 73 D CA 0.110 54.182 54.000 0.121 0.000 0.866 73 D CB 0.161 41.023 40.800 0.104 0.000 1.101 73 D HN 0.581 nan 8.370 nan 0.000 0.476 74 N N 2.660 121.413 118.700 0.089 0.000 2.698 74 N HA -0.231 4.508 4.740 -0.002 0.000 0.258 74 N C -1.375 174.274 175.510 0.230 0.000 0.978 74 N CA 0.522 53.663 53.050 0.152 0.000 0.777 74 N CB -1.158 37.483 38.487 0.256 0.000 0.907 74 N HN 0.323 nan 8.380 nan 0.000 0.543 75 C N -0.054 119.313 119.300 0.111 0.000 2.358 75 C HA 0.785 5.244 4.460 -0.002 0.000 0.354 75 C C -0.030 175.021 174.990 0.102 0.000 1.183 75 C CA -0.432 58.738 59.018 0.253 0.000 2.150 75 C CB 0.335 28.261 27.740 0.310 0.000 2.361 75 C HN 0.598 nan 8.230 nan 0.000 0.535 76 W N 1.199 122.658 121.300 0.265 0.000 3.083 76 W HA 0.681 5.340 4.660 -0.001 0.000 0.333 76 W C -1.011 175.706 176.519 0.330 0.000 1.217 76 W CA -0.630 56.864 57.345 0.247 0.000 1.170 76 W CB 0.924 30.485 29.460 0.169 0.000 1.437 76 W HN 0.283 nan 8.180 nan 0.000 0.557 77 L N 2.444 123.979 121.223 0.521 0.000 2.381 77 L HA 0.910 5.249 4.340 -0.002 0.000 0.274 77 L C -0.793 176.288 176.870 0.352 0.000 0.988 77 L CA -0.931 54.155 54.840 0.410 0.000 0.824 77 L CB 1.225 43.458 42.059 0.291 0.000 1.263 77 L HN 0.517 nan 8.230 nan 0.000 0.410 78 A N 5.910 128.918 122.820 0.313 0.000 2.342 78 A HA 0.848 5.167 4.320 -0.002 0.000 0.323 78 A C -1.413 176.229 177.584 0.097 0.000 1.125 78 A CA -0.523 51.650 52.037 0.228 0.000 0.785 78 A CB 0.929 20.092 19.000 0.272 0.000 1.221 78 A HN 0.695 nan 8.150 nan 0.000 0.463 79 L N 2.160 123.408 121.223 0.043 0.000 2.362 79 L HA 0.586 4.925 4.340 -0.002 0.000 0.275 79 L C 0.517 177.242 176.870 -0.242 0.000 0.998 79 L CA -0.626 54.195 54.840 -0.030 0.000 0.820 79 L CB 2.345 44.440 42.059 0.059 0.000 1.270 79 L HN 0.889 nan 8.230 nan 0.000 0.415 80 T N -2.561 111.695 114.554 -0.498 0.000 2.943 80 T HA 0.246 4.595 4.350 -0.002 0.000 0.284 80 T C -0.193 174.251 174.700 -0.426 0.000 1.015 80 T CA -0.872 60.560 62.100 -1.112 0.000 1.042 80 T CB 1.836 69.714 68.868 -1.649 0.000 1.055 80 T HN 0.504 nan 8.240 nan 0.000 0.500 81 D N 2.337 122.568 120.400 -0.282 0.000 2.533 81 D HA 0.047 4.686 4.640 -0.002 0.000 0.236 81 D C -1.246 175.051 176.300 -0.005 0.000 1.137 81 D CA -1.699 52.312 54.000 0.017 0.000 0.867 81 D CB 1.206 42.142 40.800 0.226 0.000 1.170 81 D HN 0.320 nan 8.370 nan 0.000 0.474 82 P HA -0.003 nan 4.420 nan 0.000 0.242 82 P C 0.815 178.174 177.300 0.099 0.000 1.197 82 P CA 0.439 63.642 63.100 0.171 0.000 0.765 82 P CB 0.245 32.038 31.700 0.155 0.000 0.936 83 R N -0.411 120.129 120.500 0.068 0.000 2.246 83 R HA 0.051 4.390 4.340 -0.002 0.000 0.199 83 R C 0.236 176.564 176.300 0.046 0.000 0.984 83 R CA 0.453 56.589 56.100 0.061 0.000 1.015 83 R CB 0.043 30.386 30.300 0.072 0.000 0.930 83 R HN 0.063 nan 8.270 nan 0.000 0.475 84 D N 0.365 120.789 120.400 0.039 0.000 2.412 84 D HA 0.073 4.712 4.640 -0.002 0.000 0.276 84 D C 0.167 176.365 176.300 -0.170 0.000 1.196 84 D CA -0.299 53.740 54.000 0.064 0.000 0.905 84 D CB 1.272 42.282 40.800 0.350 0.000 1.081 84 D HN -0.037 nan 8.370 nan 0.000 0.502 85 V N 0.501 120.142 119.914 -0.455 0.000 3.337 85 V HA 0.864 4.983 4.120 -0.002 0.000 0.307 85 V C 0.240 175.440 176.094 -1.490 0.000 1.505 85 V CA 0.269 61.932 62.300 -1.063 0.000 1.072 85 V CB -0.108 31.099 31.823 -1.026 0.000 0.929 85 V HN 0.433 nan 8.190 nan 0.000 0.455 86 A N 0.258 122.553 122.820 -0.875 0.000 2.601 86 A HA 0.718 5.037 4.320 -0.002 0.000 0.291 86 A C -0.346 177.241 177.584 0.004 0.000 1.075 86 A CA -0.851 50.935 52.037 -0.418 0.000 0.671 86 A CB 1.240 20.119 19.000 -0.203 0.000 1.277 86 A HN 0.389 nan 8.150 nan 0.000 0.417 87 R N -0.105 120.499 120.500 0.174 0.000 2.697 87 R HA 0.314 4.653 4.340 -0.002 0.000 0.265 87 R C -0.869 175.501 176.300 0.118 0.000 1.009 87 R CA 0.608 56.823 56.100 0.192 0.000 1.099 87 R CB 0.131 30.566 30.300 0.225 0.000 0.965 87 R HN 0.717 nan 8.270 nan 0.000 0.428 88 I N 3.294 123.939 120.570 0.124 0.000 2.540 88 I HA 0.053 4.222 4.170 -0.002 0.000 0.280 88 I C 0.724 176.895 176.117 0.091 0.000 1.083 88 I CA -0.212 61.142 61.300 0.090 0.000 1.080 88 I CB 1.379 39.431 38.000 0.086 0.000 1.205 88 I HN 0.904 nan 8.210 nan 0.000 0.459 89 E N 3.358 123.592 120.200 0.057 0.000 2.118 89 E HA -0.234 4.115 4.350 -0.002 0.000 0.195 89 E C 1.725 178.363 176.600 0.064 0.000 0.992 89 E CA 1.941 58.367 56.400 0.043 0.000 0.804 89 E CB 0.195 29.889 29.700 -0.010 0.000 0.741 89 E HN 0.732 nan 8.360 nan 0.000 0.458 90 S N -0.603 115.132 115.700 0.060 0.000 2.595 90 S HA -0.063 4.406 4.470 -0.002 0.000 0.235 90 S C 1.171 175.820 174.600 0.082 0.000 0.974 90 S CA 0.667 58.905 58.200 0.064 0.000 0.942 90 S CB 0.002 63.235 63.200 0.054 0.000 0.766 90 S HN 0.204 nan 8.310 nan 0.000 0.536 91 K N 0.644 121.104 120.400 0.101 0.000 2.592 91 K HA 0.258 4.577 4.320 -0.002 0.000 0.203 91 K C -0.877 175.816 176.600 0.155 0.000 1.070 91 K CA -0.079 56.281 56.287 0.122 0.000 1.062 91 K CB 1.367 33.942 32.500 0.124 0.000 0.814 91 K HN 0.158 nan 8.250 nan 0.000 0.502 92 T N 1.239 115.885 114.554 0.153 0.000 2.812 92 T HA 0.478 4.827 4.350 -0.002 0.000 0.282 92 T C -0.726 174.087 174.700 0.188 0.000 0.990 92 T CA -0.713 61.508 62.100 0.202 0.000 0.960 92 T CB 1.672 70.666 68.868 0.210 0.000 0.948 92 T HN 0.044 nan 8.240 nan 0.000 0.438 93 V N 1.160 121.212 119.914 0.229 0.000 3.160 93 V HA 0.789 4.908 4.120 -0.002 0.000 0.310 93 V C -1.283 174.949 176.094 0.231 0.000 1.181 93 V CA -1.196 61.209 62.300 0.176 0.000 1.047 93 V CB 1.950 33.837 31.823 0.106 0.000 1.068 93 V HN 0.842 nan 8.190 nan 0.000 0.441 94 I N 1.343 121.993 120.570 0.134 0.000 2.509 94 I HA 0.606 4.775 4.170 -0.002 0.000 0.293 94 I C -1.024 175.113 176.117 0.033 0.000 1.020 94 I CA -1.060 60.308 61.300 0.114 0.000 1.088 94 I CB 2.287 40.349 38.000 0.103 0.000 1.267 94 I HN 0.452 nan 8.210 nan 0.000 0.430 95 V N 4.687 124.569 119.914 -0.052 0.000 2.350 95 V HA 0.469 4.588 4.120 -0.002 0.000 0.285 95 V C 0.119 176.223 176.094 0.016 0.000 1.014 95 V CA -0.306 61.911 62.300 -0.138 0.000 0.831 95 V CB 1.380 32.991 31.823 -0.355 0.000 1.000 95 V HN 0.934 nan 8.190 nan 0.000 0.433 96 T N 0.655 115.349 114.554 0.233 0.000 2.864 96 T HA 0.383 4.732 4.350 -0.002 0.000 0.289 96 T C 0.557 175.468 174.700 0.352 0.000 1.082 96 T CA -0.562 61.685 62.100 0.244 0.000 1.009 96 T CB 2.289 71.293 68.868 0.227 0.000 1.234 96 T HN 0.367 nan 8.240 nan 0.000 0.526 97 Q N -0.210 119.712 119.800 0.204 0.000 2.083 97 Q HA 0.005 4.344 4.340 -0.002 0.000 0.198 97 Q C -0.062 176.074 176.000 0.227 0.000 0.969 97 Q CA 1.039 56.958 55.803 0.193 0.000 0.838 97 Q CB 0.238 29.030 28.738 0.090 0.000 0.900 97 Q HN 0.599 nan 8.270 nan 0.000 0.436 98 E N 0.129 120.384 120.200 0.092 0.000 2.179 98 E HA 0.014 4.363 4.350 -0.002 0.000 0.275 98 E C -0.166 176.195 176.600 -0.399 0.000 0.945 98 E CA -0.194 56.142 56.400 -0.107 0.000 0.792 98 E CB 1.615 31.251 29.700 -0.107 0.000 1.125 98 E HN 0.272 nan 8.360 nan 0.000 0.397 99 Q N 2.936 122.124 119.800 -1.021 0.000 2.124 99 Q HA -0.188 4.151 4.340 -0.002 0.000 0.202 99 Q C 1.850 177.438 176.000 -0.687 0.000 0.977 99 Q CA 1.542 56.340 55.803 -1.675 0.000 0.850 99 Q CB 0.100 27.788 28.738 -1.751 0.000 0.901 99 Q HN 0.416 nan 8.270 nan 0.000 0.429 100 R N 0.120 120.368 120.500 -0.421 0.000 2.193 100 R HA -0.146 4.193 4.340 -0.002 0.000 0.229 100 R C 1.242 177.462 176.300 -0.132 0.000 1.110 100 R CA 1.698 57.664 56.100 -0.224 0.000 0.988 100 R CB 0.037 30.238 30.300 -0.165 0.000 0.871 100 R HN 0.382 nan 8.270 nan 0.000 0.458 101 D N -1.148 119.182 120.400 -0.117 0.000 2.224 101 D HA -0.077 4.562 4.640 -0.002 0.000 0.205 101 D C 1.276 177.603 176.300 0.046 0.000 0.965 101 D CA 1.314 55.302 54.000 -0.020 0.000 0.852 101 D CB 0.188 40.983 40.800 -0.008 0.000 0.947 101 D HN 0.243 nan 8.370 nan 0.000 0.494 102 T N -0.172 114.394 114.554 0.020 0.000 2.983 102 T HA 0.080 4.429 4.350 -0.002 0.000 0.250 102 T C 0.871 175.605 174.700 0.056 0.000 1.037 102 T CA 0.354 62.515 62.100 0.102 0.000 1.142 102 T CB 0.680 69.688 68.868 0.234 0.000 0.876 102 T HN -0.011 nan 8.240 nan 0.000 0.455 103 V N -0.575 119.331 119.914 -0.014 0.000 2.971 103 V HA 0.605 4.724 4.120 -0.002 0.000 0.309 103 V C -3.293 172.760 176.094 -0.069 0.000 1.130 103 V CA -3.369 58.915 62.300 -0.026 0.000 0.964 103 V CB 1.882 33.710 31.823 0.009 0.000 1.029 103 V HN -0.139 nan 8.190 nan 0.000 0.427 104 P HA 0.287 nan 4.420 nan 0.000 0.271 104 P C -0.423 176.833 177.300 -0.073 0.000 1.220 104 P CA -0.094 62.964 63.100 -0.071 0.000 0.768 104 P CB 0.280 31.940 31.700 -0.066 0.000 0.848 105 I N 5.801 126.323 120.570 -0.080 0.000 2.533 105 I HA 0.101 4.271 4.170 -0.002 0.000 0.284 105 I C -1.704 174.381 176.117 -0.053 0.000 1.109 105 I CA -2.901 58.357 61.300 -0.070 0.000 1.412 105 I CB -0.548 37.405 38.000 -0.079 0.000 1.396 105 I HN 0.235 nan 8.210 nan 0.000 0.543 106 P HA 0.126 nan 4.420 nan 0.000 0.275 106 P C 0.558 177.844 177.300 -0.025 0.000 1.227 106 P CA -0.466 62.614 63.100 -0.034 0.000 0.781 106 P CB 1.251 32.942 31.700 -0.014 0.000 0.906 107 K N 1.589 121.974 120.400 -0.025 0.000 2.020 107 K HA -0.084 4.236 4.320 -0.002 0.000 0.212 107 K C 0.554 177.152 176.600 -0.004 0.000 1.050 107 K CA 1.629 57.907 56.287 -0.015 0.000 0.929 107 K CB -0.184 32.309 32.500 -0.012 0.000 0.714 107 K HN 0.686 nan 8.250 nan 0.000 0.443 108 T N -2.336 112.219 114.554 0.003 0.000 2.876 108 T HA 0.605 4.954 4.350 -0.002 0.000 0.289 108 T C 0.361 175.071 174.700 0.017 0.000 1.014 108 T CA -0.575 61.532 62.100 0.012 0.000 0.986 108 T CB 1.984 70.862 68.868 0.017 0.000 1.021 108 T HN 0.472 nan 8.240 nan 0.000 0.458 109 G N 2.045 110.857 108.800 0.021 0.000 2.514 109 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.265 109 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.265 109 G C -0.815 174.104 174.900 0.031 0.000 1.150 109 G CA -0.091 45.026 45.100 0.028 0.000 0.959 109 G HN 0.978 nan 8.290 nan 0.000 0.556 110 L N 0.528 121.774 121.223 0.038 0.000 2.334 110 L HA 0.641 4.980 4.340 -0.002 0.000 0.276 110 L C 1.027 177.922 176.870 0.041 0.000 1.014 110 L CA -0.367 54.500 54.840 0.045 0.000 0.815 110 L CB 1.949 44.040 42.059 0.053 0.000 1.268 110 L HN 0.727 nan 8.230 nan 0.000 0.428 111 S N 0.862 116.585 115.700 0.038 0.000 2.579 111 S HA 0.106 4.575 4.470 -0.002 0.000 0.275 111 S C 0.435 175.062 174.600 0.044 0.000 1.345 111 S CA -0.040 58.175 58.200 0.024 0.000 1.031 111 S CB 0.640 63.850 63.200 0.017 0.000 0.892 111 S HN 0.712 nan 8.310 nan 0.000 0.529 112 Q N 2.457 122.285 119.800 0.047 0.000 2.149 112 Q HA 0.263 4.603 4.340 -0.002 0.000 0.221 112 Q C -0.060 175.981 176.000 0.069 0.000 0.807 112 Q CA 0.021 55.871 55.803 0.079 0.000 1.000 112 Q CB 0.348 29.178 28.738 0.154 0.000 1.157 112 Q HN 0.611 nan 8.270 nan 0.000 0.487 113 L N -1.042 120.199 121.223 0.030 0.000 2.959 113 L HA 0.537 4.876 4.340 -0.002 0.000 0.259 113 L C 0.580 177.499 176.870 0.081 0.000 1.185 113 L CA -0.288 54.574 54.840 0.036 0.000 0.998 113 L CB 1.161 43.138 42.059 -0.137 0.000 1.337 113 L HN 0.063 nan 8.230 nan 0.000 0.555 114 G N 0.025 108.861 108.800 0.061 0.000 2.338 114 G HA2 0.516 4.475 3.960 -0.002 0.000 0.295 114 G HA3 0.516 4.475 3.960 -0.002 0.000 0.295 114 G C -1.642 173.315 174.900 0.094 0.000 1.461 114 G CA -1.042 44.104 45.100 0.077 0.000 0.817 114 G HN -0.019 nan 8.290 nan 0.000 0.556 115 R N -0.425 120.147 120.500 0.120 0.000 2.500 115 R HA 0.370 4.709 4.340 -0.002 0.000 0.299 115 R C -1.486 174.938 176.300 0.207 0.000 1.038 115 R CA -0.614 55.575 56.100 0.148 0.000 0.903 115 R CB 2.457 32.823 30.300 0.109 0.000 1.177 115 R HN 0.558 nan 8.270 nan 0.000 0.455 116 W N 5.697 127.024 121.300 0.046 0.000 2.449 116 W HA 0.549 5.208 4.660 -0.003 0.000 0.331 116 W C -0.809 175.746 176.519 0.060 0.000 1.119 116 W CA -0.973 56.400 57.345 0.046 0.000 1.240 116 W CB 1.337 30.817 29.460 0.033 0.000 1.251 116 W HN 0.476 nan 8.180 nan 0.000 0.576 117 M N 6.263 125.337 119.600 -0.878 0.000 2.271 117 M HA 0.306 4.785 4.480 -0.002 0.000 0.285 117 M C -0.333 175.238 176.300 -1.215 0.000 1.059 117 M CA -0.537 54.235 55.300 -0.880 0.000 0.940 117 M CB 1.590 34.018 32.600 -0.288 0.000 1.636 117 M HN 0.545 nan 8.290 nan 0.000 0.460 118 S N 2.933 117.914 115.700 -1.197 0.000 2.576 118 S HA 0.102 4.571 4.470 -0.002 0.000 0.272 118 S C 0.566 175.023 174.600 -0.238 0.000 1.352 118 S CA 0.204 57.993 58.200 -0.686 0.000 1.021 118 S CB 0.782 63.797 63.200 -0.308 0.000 0.887 118 S HN 0.913 nan 8.310 nan 0.000 0.542 119 E N 0.837 121.000 120.200 -0.063 0.000 2.077 119 E HA -0.195 4.154 4.350 -0.002 0.000 0.193 119 E C 2.003 178.636 176.600 0.055 0.000 0.989 119 E CA 1.461 57.874 56.400 0.023 0.000 0.800 119 E CB -0.140 29.584 29.700 0.039 0.000 0.746 119 E HN 0.908 nan 8.360 nan 0.000 0.452 120 E N 0.854 121.070 120.200 0.027 0.000 2.051 120 E HA -0.241 4.108 4.350 -0.002 0.000 0.192 120 E C 1.406 178.013 176.600 0.012 0.000 0.991 120 E CA 1.420 57.835 56.400 0.024 0.000 0.799 120 E CB 0.083 29.798 29.700 0.024 0.000 0.748 120 E HN 0.122 nan 8.360 nan 0.000 0.449 121 D N -0.237 120.154 120.400 -0.015 0.000 2.144 121 D HA -0.156 4.483 4.640 -0.002 0.000 0.199 121 D C 1.567 177.877 176.300 0.016 0.000 0.984 121 D CA 0.775 54.761 54.000 -0.024 0.000 0.834 121 D CB -0.352 40.400 40.800 -0.080 0.000 0.955 121 D HN 0.214 nan 8.370 nan 0.000 0.465 122 F N 1.718 121.616 119.950 -0.087 0.000 2.146 122 F HA -0.119 4.406 4.527 -0.002 0.000 0.298 122 F C 2.151 177.968 175.800 0.028 0.000 1.096 122 F CA 1.076 59.052 58.000 -0.040 0.000 1.275 122 F CB 0.048 39.004 39.000 -0.074 0.000 1.008 122 F HN -0.217 nan 8.300 nan 0.000 0.480 123 E N 0.849 121.050 120.200 0.001 0.000 2.086 123 E HA -0.258 4.091 4.350 -0.002 0.000 0.200 123 E C 2.137 178.699 176.600 -0.063 0.000 1.012 123 E CA 1.723 58.103 56.400 -0.033 0.000 0.812 123 E CB -0.355 29.361 29.700 0.027 0.000 0.743 123 E HN 0.479 nan 8.360 nan 0.000 0.453 124 K N 0.065 120.424 120.400 -0.069 0.000 2.103 124 K HA 0.028 4.347 4.320 -0.002 0.000 0.204 124 K C 2.123 178.645 176.600 -0.129 0.000 1.052 124 K CA 0.900 57.143 56.287 -0.074 0.000 0.945 124 K CB -0.073 32.397 32.500 -0.049 0.000 0.722 124 K HN 0.053 nan 8.250 nan 0.000 0.443 125 A N 1.103 123.819 122.820 -0.174 0.000 1.877 125 A HA -0.191 4.128 4.320 -0.002 0.000 0.216 125 A C 2.028 179.431 177.584 -0.302 0.000 1.186 125 A CA 1.315 53.223 52.037 -0.215 0.000 0.620 125 A CB -0.753 18.141 19.000 -0.177 0.000 0.822 125 A HN 0.367 nan 8.150 nan 0.000 0.443 126 F N 1.402 120.965 119.950 -0.644 0.000 2.102 126 F HA -0.188 4.338 4.527 -0.001 0.000 0.298 126 F C 1.912 177.577 175.800 -0.224 0.000 1.105 126 F CA 2.121 59.800 58.000 -0.535 0.000 1.239 126 F CB -0.214 38.266 39.000 -0.868 0.000 0.991 126 F HN 0.198 nan 8.300 nan 0.000 0.474 127 N N 0.568 119.158 118.700 -0.183 0.000 2.396 127 N HA -0.033 4.706 4.740 -0.002 0.000 0.180 127 N C 1.668 177.041 175.510 -0.229 0.000 1.028 127 N CA 1.057 53.989 53.050 -0.197 0.000 0.893 127 N CB -0.485 37.984 38.487 -0.031 0.000 0.967 127 N HN 0.416 nan 8.380 nan 0.000 0.440 128 A N 0.036 122.716 122.820 -0.234 0.000 2.208 128 A HA 0.119 4.438 4.320 -0.002 0.000 0.209 128 A C 2.082 179.476 177.584 -0.318 0.000 1.161 128 A CA 0.491 52.397 52.037 -0.218 0.000 0.782 128 A CB 0.141 19.038 19.000 -0.171 0.000 0.816 128 A HN 0.137 nan 8.150 nan 0.000 0.477 129 R N -2.718 117.490 120.500 -0.487 0.000 2.306 129 R HA 0.277 4.616 4.340 -0.002 0.000 0.183 129 R C 1.272 177.086 176.300 -0.810 0.000 0.937 129 R CA 0.472 56.041 56.100 -0.886 0.000 1.118 129 R CB -0.134 29.293 30.300 -1.455 0.000 1.224 129 R HN 0.422 nan 8.270 nan 0.000 0.597 130 F N 1.700 121.213 119.950 -0.727 0.000 2.293 130 F HA 0.114 4.641 4.527 -0.001 0.000 0.297 130 F C -1.411 174.236 175.800 -0.256 0.000 1.089 130 F CA -0.340 57.393 58.000 -0.445 0.000 1.377 130 F CB -0.884 37.724 39.000 -0.653 0.000 1.051 130 F HN -0.179 nan 8.300 nan 0.000 0.511 131 P HA 0.095 nan 4.420 nan 0.000 0.260 131 P C 0.756 178.032 177.300 -0.041 0.000 1.185 131 P CA 1.464 64.523 63.100 -0.068 0.000 0.763 131 P CB 0.200 31.847 31.700 -0.087 0.000 0.776 132 G N 3.174 111.964 108.800 -0.016 0.000 2.189 132 G HA2 -0.402 3.557 3.960 -0.002 0.000 0.267 132 G HA3 -0.402 3.557 3.960 -0.002 0.000 0.267 132 G C 1.199 176.090 174.900 -0.014 0.000 0.975 132 G CA 0.339 45.428 45.100 -0.017 0.000 0.644 132 G HN 0.687 nan 8.290 nan 0.000 0.537 133 C N -1.222 118.079 119.300 0.001 0.000 2.422 133 C HA 0.417 4.876 4.460 -0.002 0.000 0.286 133 C C 2.277 177.245 174.990 -0.036 0.000 1.412 133 C CA 1.502 60.518 59.018 -0.003 0.000 1.786 133 C CB -0.688 27.081 27.740 0.047 0.000 1.835 133 C HN 0.484 nan 8.230 nan 0.000 0.533 134 M N -0.012 119.579 119.600 -0.016 0.000 2.404 134 M HA 0.241 4.720 4.480 -0.002 0.000 0.271 134 M C 0.422 176.702 176.300 -0.033 0.000 1.128 134 M CA -0.256 55.029 55.300 -0.024 0.000 0.982 134 M CB 0.008 32.607 32.600 -0.002 0.000 1.445 134 M HN 0.037 nan 8.290 nan 0.000 0.495 135 K N 0.931 121.310 120.400 -0.035 0.000 2.484 135 K HA 0.177 4.496 4.320 -0.002 0.000 0.280 135 K C 1.098 177.676 176.600 -0.038 0.000 1.013 135 K CA 1.377 57.639 56.287 -0.041 0.000 1.029 135 K CB 0.055 32.533 32.500 -0.035 0.000 0.902 135 K HN 0.414 nan 8.250 nan 0.000 0.481 136 G N 3.087 111.861 108.800 -0.042 0.000 2.168 136 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.263 136 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.263 136 G C 0.061 174.959 174.900 -0.005 0.000 0.977 136 G CA 0.672 45.758 45.100 -0.023 0.000 0.659 136 G HN 0.590 nan 8.290 nan 0.000 0.533 137 R N -1.125 119.367 120.500 -0.014 0.000 2.960 137 R HA 0.698 5.037 4.340 -0.002 0.000 0.249 137 R C -0.862 175.440 176.300 0.004 0.000 1.192 137 R CA -0.567 55.538 56.100 0.009 0.000 1.035 137 R CB 1.065 31.366 30.300 0.002 0.000 1.234 137 R HN 0.090 nan 8.270 nan 0.000 0.493 138 T N 1.845 116.395 114.554 -0.006 0.000 2.770 138 T HA 0.286 4.635 4.350 -0.002 0.000 0.283 138 T C -0.383 174.171 174.700 -0.244 0.000 0.988 138 T CA -0.437 61.585 62.100 -0.130 0.000 0.957 138 T CB 0.843 69.563 68.868 -0.247 0.000 0.930 138 T HN 0.335 nan 8.240 nan 0.000 0.443 139 M N 5.206 124.694 119.600 -0.187 0.000 2.108 139 M HA 0.377 4.856 4.480 -0.002 0.000 0.347 139 M C -1.456 174.742 176.300 -0.169 0.000 1.326 139 M CA -0.447 54.794 55.300 -0.097 0.000 1.126 139 M CB 0.101 32.684 32.600 -0.029 0.000 1.606 139 M HN 0.558 nan 8.290 nan 0.000 0.462 140 Y N 3.783 124.117 120.300 0.057 0.000 2.308 140 Y HA 0.420 4.969 4.550 -0.002 0.000 0.329 140 Y C -0.040 175.914 175.900 0.090 0.000 1.111 140 Y CA -0.656 57.484 58.100 0.068 0.000 1.179 140 Y CB 1.064 39.514 38.460 -0.016 0.000 1.201 140 Y HN 0.359 nan 8.280 nan 0.000 0.483 141 V N 5.598 125.659 119.914 0.245 0.000 2.328 141 V HA 0.293 4.412 4.120 -0.002 0.000 0.278 141 V C -0.104 176.113 176.094 0.205 0.000 1.021 141 V CA -0.755 61.659 62.300 0.190 0.000 0.838 141 V CB 0.522 32.419 31.823 0.124 0.000 0.999 141 V HN 0.598 nan 8.190 nan 0.000 0.447 142 I N 7.556 128.260 120.570 0.224 0.000 2.307 142 I HA 0.315 4.484 4.170 -0.002 0.000 0.287 142 I C -2.415 173.869 176.117 0.279 0.000 1.054 142 I CA -1.863 59.569 61.300 0.220 0.000 1.218 142 I CB 1.607 39.718 38.000 0.185 0.000 1.398 142 I HN 0.391 nan 8.210 nan 0.000 0.475 143 P HA 0.207 nan 4.420 nan 0.000 0.281 143 P C -0.935 176.473 177.300 0.181 0.000 1.286 143 P CA 0.007 63.171 63.100 0.106 0.000 0.772 143 P CB 0.139 31.855 31.700 0.026 0.000 0.862 144 F N 0.207 120.175 119.950 0.030 0.000 2.588 144 F HA 0.801 5.327 4.527 -0.001 0.000 0.314 144 F C -0.608 175.197 175.800 0.008 0.000 1.069 144 F CA -1.317 56.687 58.000 0.006 0.000 0.931 144 F CB 1.636 40.632 39.000 -0.006 0.000 1.260 144 F HN 0.159 nan 8.300 nan 0.000 0.465 145 S N 3.758 119.483 115.700 0.042 0.000 2.473 145 S HA 0.656 5.125 4.470 -0.002 0.000 0.307 145 S C -0.832 173.744 174.600 -0.040 0.000 1.094 145 S CA -0.857 57.306 58.200 -0.063 0.000 1.070 145 S CB 0.792 63.961 63.200 -0.052 0.000 1.019 145 S HN 0.632 nan 8.310 nan 0.000 0.480 146 M N 4.153 123.667 119.600 -0.143 0.000 2.080 146 M HA 0.515 4.994 4.480 -0.002 0.000 0.350 146 M C 0.741 176.840 176.300 -0.336 0.000 1.173 146 M CA 0.108 55.228 55.300 -0.300 0.000 1.052 146 M CB -0.225 32.062 32.600 -0.522 0.000 1.577 146 M HN 1.098 nan 8.290 nan 0.000 0.455 147 G N 5.419 114.009 108.800 -0.350 0.000 2.663 147 G HA2 -0.052 3.907 3.960 -0.002 0.000 0.686 147 G HA3 -0.052 3.907 3.960 -0.002 0.000 0.686 147 G C -3.392 171.385 174.900 -0.206 0.000 1.288 147 G CA -1.349 43.583 45.100 -0.280 0.000 0.836 147 G HN 0.398 nan 8.290 nan 0.000 0.584 148 P HA 0.368 nan 4.420 nan 0.000 0.269 148 P C 0.074 177.287 177.300 -0.145 0.000 1.215 148 P CA -0.548 62.422 63.100 -0.216 0.000 0.780 148 P CB 0.551 32.097 31.700 -0.257 0.000 0.898 149 L N 2.735 123.882 121.223 -0.127 0.000 2.363 149 L HA 0.402 4.741 4.340 -0.002 0.000 0.286 149 L C 1.245 178.067 176.870 -0.079 0.000 1.106 149 L CA 1.006 55.794 54.840 -0.088 0.000 0.859 149 L CB -1.183 40.832 42.059 -0.072 0.000 1.223 149 L HN 0.768 nan 8.230 nan 0.000 0.446 150 G N 1.996 110.755 108.800 -0.069 0.000 2.141 150 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.164 150 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.164 150 G C 0.157 175.016 174.900 -0.069 0.000 1.009 150 G CA 0.039 45.102 45.100 -0.061 0.000 0.677 150 G HN 0.803 nan 8.290 nan 0.000 0.508 151 S N 0.232 115.885 115.700 -0.078 0.000 2.442 151 S HA 0.681 5.150 4.470 -0.002 0.000 0.297 151 S C -0.585 173.971 174.600 -0.073 0.000 1.131 151 S CA -1.022 57.128 58.200 -0.083 0.000 1.092 151 S CB 1.705 64.842 63.200 -0.105 0.000 0.998 151 S HN -0.041 nan 8.310 nan 0.000 0.478 152 P HA -0.003 nan 4.420 nan 0.000 0.223 152 P C 0.928 178.151 177.300 -0.127 0.000 1.144 152 P CA 0.818 63.866 63.100 -0.086 0.000 0.783 152 P CB 0.122 31.773 31.700 -0.081 0.000 0.771 153 L N -2.224 118.923 121.223 -0.127 0.000 2.509 153 L HA 0.063 4.402 4.340 -0.002 0.000 0.222 153 L C 0.857 177.714 176.870 -0.022 0.000 1.123 153 L CA 0.344 55.086 54.840 -0.164 0.000 0.856 153 L CB -0.204 41.778 42.059 -0.129 0.000 0.985 153 L HN -0.084 nan 8.230 nan 0.000 0.456 154 S N -0.040 115.664 115.700 0.007 0.000 2.617 154 S HA 0.355 4.824 4.470 -0.002 0.000 0.269 154 S C 0.003 174.704 174.600 0.167 0.000 1.292 154 S CA -0.402 57.859 58.200 0.102 0.000 1.010 154 S CB 1.214 64.409 63.200 -0.007 0.000 0.944 154 S HN 0.042 nan 8.310 nan 0.000 0.536 155 K N 1.214 121.784 120.400 0.283 0.000 2.435 155 K HA 0.562 4.881 4.320 -0.002 0.000 0.251 155 K C -0.978 175.738 176.600 0.193 0.000 0.954 155 K CA -0.432 56.029 56.287 0.291 0.000 0.820 155 K CB 1.870 34.682 32.500 0.519 0.000 1.292 155 K HN 0.498 nan 8.250 nan 0.000 0.436 156 I N 0.612 121.283 120.570 0.169 0.000 2.530 156 I HA 0.542 4.711 4.170 -0.002 0.000 0.297 156 I C 0.427 176.570 176.117 0.045 0.000 1.011 156 I CA -0.808 60.497 61.300 0.009 0.000 1.107 156 I CB 2.260 40.250 38.000 -0.017 0.000 1.285 156 I HN 0.657 nan 8.210 nan 0.000 0.436 157 G N 5.476 114.067 108.800 -0.350 0.000 2.658 157 G HA2 0.731 4.690 3.960 -0.002 0.000 0.292 157 G HA3 0.731 4.690 3.960 -0.002 0.000 0.292 157 G C -1.389 173.306 174.900 -0.343 0.000 1.320 157 G CA -0.371 44.565 45.100 -0.272 0.000 0.933 157 G HN 0.268 nan 8.290 nan 0.000 0.476 158 I N 0.672 121.269 120.570 0.045 0.000 2.447 158 I HA 0.389 4.558 4.170 -0.002 0.000 0.287 158 I C -0.404 176.029 176.117 0.527 0.000 1.023 158 I CA -1.051 60.368 61.300 0.199 0.000 1.083 158 I CB 1.576 39.619 38.000 0.071 0.000 1.245 158 I HN 0.632 nan 8.210 nan 0.000 0.434 159 E N 7.134 127.677 120.200 0.571 0.000 2.145 159 E HA 0.526 4.875 4.350 -0.002 0.000 0.270 159 E C -1.373 175.441 176.600 0.357 0.000 0.906 159 E CA -0.608 56.085 56.400 0.487 0.000 0.761 159 E CB 1.334 31.247 29.700 0.355 0.000 1.116 159 E HN 0.481 nan 8.360 nan 0.000 0.408 160 L N 3.727 125.153 121.223 0.338 0.000 2.276 160 L HA 0.450 4.789 4.340 -0.002 0.000 0.286 160 L C 0.332 177.359 176.870 0.262 0.000 1.061 160 L CA -0.332 54.639 54.840 0.218 0.000 0.807 160 L CB 1.539 43.639 42.059 0.067 0.000 1.177 160 L HN 0.484 nan 8.230 nan 0.000 0.429 161 T N -0.324 114.386 114.554 0.260 0.000 2.894 161 T HA 0.293 4.642 4.350 -0.002 0.000 0.309 161 T C -0.741 174.139 174.700 0.301 0.000 1.208 161 T CA -0.669 61.620 62.100 0.316 0.000 1.016 161 T CB 1.542 70.565 68.868 0.259 0.000 1.192 161 T HN 0.729 nan 8.240 nan 0.000 0.491 162 D N 1.244 121.788 120.400 0.240 0.000 2.615 162 D HA 0.293 4.932 4.640 -0.002 0.000 0.236 162 D C -0.051 176.355 176.300 0.177 0.000 1.233 162 D CA -0.334 53.787 54.000 0.200 0.000 0.829 162 D CB 0.186 41.022 40.800 0.059 0.000 1.024 162 D HN 0.245 nan 8.370 nan 0.000 0.490 163 S N 0.382 116.166 115.700 0.141 0.000 2.779 163 S HA 0.432 4.901 4.470 -0.002 0.000 0.293 163 S C -2.197 172.267 174.600 -0.227 0.000 1.150 163 S CA -1.326 56.862 58.200 -0.020 0.000 1.057 163 S CB 1.755 64.965 63.200 0.017 0.000 1.021 163 S HN -0.246 nan 8.310 nan 0.000 0.485 164 P HA -0.097 nan 4.420 nan 0.000 0.218 164 P C 1.041 178.174 177.300 -0.279 0.000 1.148 164 P CA 0.775 63.582 63.100 -0.488 0.000 0.822 164 P CB -0.098 31.408 31.700 -0.322 0.000 0.784 165 Y N 0.344 120.500 120.300 -0.241 0.000 2.207 165 Y HA -0.203 4.346 4.550 -0.002 0.000 0.287 165 Y C 1.948 177.738 175.900 -0.183 0.000 1.156 165 Y CA 1.335 59.339 58.100 -0.159 0.000 1.182 165 Y CB -0.865 37.547 38.460 -0.080 0.000 0.979 165 Y HN -0.265 nan 8.280 nan 0.000 0.521 166 V N -0.995 118.793 119.914 -0.210 0.000 2.323 166 V HA -0.270 3.849 4.120 -0.002 0.000 0.244 166 V C 2.347 178.234 176.094 -0.344 0.000 1.041 166 V CA 1.536 63.650 62.300 -0.310 0.000 1.025 166 V CB -0.758 30.910 31.823 -0.258 0.000 0.656 166 V HN 0.340 nan 8.190 nan 0.000 0.451 167 V N 0.726 120.441 119.914 -0.331 0.000 2.252 167 V HA -0.334 3.785 4.120 -0.002 0.000 0.249 167 V C 2.730 178.649 176.094 -0.292 0.000 1.056 167 V CA 2.418 64.532 62.300 -0.310 0.000 1.022 167 V CB -1.326 30.245 31.823 -0.419 0.000 0.641 167 V HN 0.565 nan 8.190 nan 0.000 0.445 168 A N -0.498 122.124 122.820 -0.330 0.000 1.930 168 A HA -0.174 4.145 4.320 -0.002 0.000 0.217 168 A C 2.445 179.846 177.584 -0.306 0.000 1.175 168 A CA 2.083 53.942 52.037 -0.297 0.000 0.627 168 A CB -0.643 18.168 19.000 -0.315 0.000 0.815 168 A HN 0.523 nan 8.150 nan 0.000 0.443 169 S N -0.376 115.075 115.700 -0.415 0.000 2.402 169 S HA -0.092 4.377 4.470 -0.002 0.000 0.229 169 S C 1.951 176.357 174.600 -0.324 0.000 1.021 169 S CA 1.411 59.372 58.200 -0.398 0.000 0.974 169 S CB -0.262 62.593 63.200 -0.575 0.000 0.800 169 S HN 0.466 nan 8.310 nan 0.000 0.484 170 M N 0.990 120.393 119.600 -0.328 0.000 2.254 170 M HA 0.045 4.524 4.480 -0.002 0.000 0.265 170 M C 2.181 178.356 176.300 -0.208 0.000 1.066 170 M CA 1.030 56.148 55.300 -0.303 0.000 1.123 170 M CB -0.950 31.458 32.600 -0.320 0.000 1.388 170 M HN 0.263 nan 8.290 nan 0.000 0.425 171 R N 0.470 120.867 120.500 -0.172 0.000 2.193 171 R HA -0.077 4.262 4.340 -0.002 0.000 0.229 171 R C 1.770 178.013 176.300 -0.096 0.000 1.110 171 R CA 1.062 57.096 56.100 -0.109 0.000 0.988 171 R CB -0.016 30.223 30.300 -0.102 0.000 0.871 171 R HN 0.345 nan 8.270 nan 0.000 0.458 172 I N -0.586 119.910 120.570 -0.124 0.000 2.731 172 I HA -0.098 4.071 4.170 -0.002 0.000 0.260 172 I C 1.719 177.769 176.117 -0.111 0.000 1.138 172 I CA 0.288 61.529 61.300 -0.098 0.000 1.461 172 I CB 0.071 38.014 38.000 -0.095 0.000 1.128 172 I HN 0.130 nan 8.210 nan 0.000 0.438 173 M N 0.352 119.858 119.600 -0.156 0.000 2.541 173 M HA 0.110 4.589 4.480 -0.002 0.000 0.252 173 M C 0.885 177.082 176.300 -0.171 0.000 1.125 173 M CA 0.701 55.894 55.300 -0.179 0.000 1.091 173 M CB -0.748 31.704 32.600 -0.248 0.000 1.420 173 M HN 0.283 nan 8.290 nan 0.000 0.486 174 T N -1.642 112.827 114.554 -0.142 0.000 2.883 174 T HA 0.647 4.996 4.350 -0.002 0.000 0.296 174 T C -0.531 174.153 174.700 -0.026 0.000 1.117 174 T CA -0.989 61.063 62.100 -0.080 0.000 1.006 174 T CB 2.166 70.999 68.868 -0.058 0.000 1.191 174 T HN -0.004 nan 8.240 nan 0.000 0.508 175 R N 1.422 121.924 120.500 0.002 0.000 2.248 175 R HA 0.569 4.908 4.340 -0.002 0.000 0.328 175 R C -0.033 176.300 176.300 0.054 0.000 1.067 175 R CA -0.296 55.807 56.100 0.006 0.000 0.924 175 R CB 0.536 30.820 30.300 -0.026 0.000 1.013 175 R HN 0.621 nan 8.270 nan 0.000 0.454 176 M N 2.018 121.644 119.600 0.042 0.000 2.530 176 M HA 0.667 5.146 4.480 -0.002 0.000 0.307 176 M C -0.345 175.982 176.300 0.045 0.000 1.161 176 M CA -0.091 55.252 55.300 0.072 0.000 0.903 176 M CB 2.174 34.807 32.600 0.056 0.000 1.711 176 M HN 0.719 nan 8.290 nan 0.000 0.451 177 G N 1.935 110.768 108.800 0.054 0.000 2.315 177 G HA2 -0.091 3.868 3.960 -0.002 0.000 0.296 177 G HA3 -0.091 3.868 3.960 -0.002 0.000 0.296 177 G C -0.040 174.874 174.900 0.023 0.000 1.289 177 G CA -0.060 45.064 45.100 0.039 0.000 0.996 177 G HN 0.624 nan 8.290 nan 0.000 0.487 178 T N 1.499 116.063 114.554 0.016 0.000 2.720 178 T HA -0.043 4.306 4.350 -0.002 0.000 0.268 178 T C -0.271 174.426 174.700 -0.004 0.000 1.037 178 T CA 2.462 64.564 62.100 0.004 0.000 1.144 178 T CB -0.921 67.948 68.868 0.002 0.000 0.864 178 T HN 0.345 nan 8.240 nan 0.000 0.444 179 P HA -0.010 nan 4.420 nan 0.000 0.219 179 P C 1.514 178.803 177.300 -0.017 0.000 1.146 179 P CA 0.513 63.606 63.100 -0.011 0.000 0.808 179 P CB -0.208 31.485 31.700 -0.012 0.000 0.779 180 V N -0.876 119.030 119.914 -0.015 0.000 2.453 180 V HA -0.163 3.956 4.120 -0.002 0.000 0.247 180 V C 2.367 178.438 176.094 -0.038 0.000 1.048 180 V CA 1.335 63.620 62.300 -0.026 0.000 1.049 180 V CB -1.068 30.744 31.823 -0.018 0.000 0.672 180 V HN 0.075 nan 8.190 nan 0.000 0.457 181 L N -0.312 120.889 121.223 -0.036 0.000 2.131 181 L HA -0.191 4.148 4.340 -0.002 0.000 0.210 181 L C 2.534 179.384 176.870 -0.034 0.000 1.092 181 L CA 1.562 56.373 54.840 -0.048 0.000 0.759 181 L CB -0.447 41.589 42.059 -0.039 0.000 0.903 181 L HN 0.400 nan 8.230 nan 0.000 0.435 182 E N -0.122 120.063 120.200 -0.024 0.000 2.047 182 E HA -0.192 4.157 4.350 -0.002 0.000 0.191 182 E C 2.313 178.902 176.600 -0.018 0.000 0.987 182 E CA 1.093 57.482 56.400 -0.018 0.000 0.799 182 E CB -0.138 29.553 29.700 -0.016 0.000 0.752 182 E HN 0.489 nan 8.360 nan 0.000 0.449 183 A N 1.027 123.834 122.820 -0.022 0.000 1.972 183 A HA -0.154 4.165 4.320 -0.002 0.000 0.219 183 A C 2.115 179.689 177.584 -0.016 0.000 1.169 183 A CA 0.863 52.887 52.037 -0.021 0.000 0.635 183 A CB -0.425 18.559 19.000 -0.027 0.000 0.810 183 A HN 0.213 nan 8.150 nan 0.000 0.446 184 L N -0.773 120.438 121.223 -0.020 0.000 2.017 184 L HA 0.143 4.482 4.340 -0.002 0.000 0.208 184 L C 1.721 178.595 176.870 0.007 0.000 1.073 184 L CA 1.924 56.759 54.840 -0.009 0.000 0.745 184 L CB -1.164 40.871 42.059 -0.039 0.000 0.894 184 L HN 0.744 nan 8.230 nan 0.000 0.432 185 G N -0.231 108.568 108.800 -0.001 0.000 2.596 185 G HA2 -0.442 3.517 3.960 -0.002 0.000 0.295 185 G HA3 -0.442 3.517 3.960 -0.002 0.000 0.295 185 G C 0.287 175.201 174.900 0.023 0.000 1.240 185 G CA 0.502 45.607 45.100 0.007 0.000 0.985 185 G HN 0.648 nan 8.290 nan 0.000 0.555 186 D N 1.681 122.099 120.400 0.029 0.000 2.370 186 D HA 0.413 5.052 4.640 -0.002 0.000 0.230 186 D C 1.150 177.487 176.300 0.061 0.000 1.143 186 D CA 0.925 54.953 54.000 0.046 0.000 0.834 186 D CB -0.596 40.223 40.800 0.032 0.000 0.944 186 D HN 0.836 nan 8.370 nan 0.000 0.504 187 G N -0.264 108.577 108.800 0.068 0.000 2.580 187 G HA2 0.199 4.158 3.960 -0.002 0.000 0.278 187 G HA3 0.199 4.158 3.960 -0.002 0.000 0.278 187 G C 0.104 175.077 174.900 0.121 0.000 1.212 187 G CA -0.625 44.517 45.100 0.070 0.000 0.939 187 G HN 0.018 nan 8.290 nan 0.000 0.513 188 E N -0.743 119.491 120.200 0.055 0.000 2.390 188 E HA 0.351 4.700 4.350 -0.002 0.000 0.261 188 E C -0.702 175.951 176.600 0.089 0.000 1.076 188 E CA 0.449 56.838 56.400 -0.018 0.000 0.905 188 E CB 1.153 30.805 29.700 -0.079 0.000 0.984 188 E HN 0.369 nan 8.360 nan 0.000 0.427 189 F N -2.549 117.332 119.950 -0.115 0.000 2.662 189 F HA 0.450 4.976 4.527 -0.001 0.000 0.312 189 F C -0.912 174.760 175.800 -0.214 0.000 1.113 189 F CA -1.422 56.494 58.000 -0.139 0.000 0.951 189 F CB 0.531 39.442 39.000 -0.148 0.000 1.344 189 F HN 0.004 nan 8.300 nan 0.000 0.462 190 V N 2.345 122.214 119.914 -0.075 0.000 2.427 190 V HA 0.206 4.325 4.120 -0.002 0.000 0.268 190 V C -0.183 175.823 176.094 -0.147 0.000 1.046 190 V CA -0.852 61.284 62.300 -0.273 0.000 0.970 190 V CB 0.599 32.078 31.823 -0.573 0.000 1.001 190 V HN 0.637 nan 8.190 nan 0.000 0.476 191 K N 4.445 124.619 120.400 -0.376 0.000 2.363 191 K HA 0.338 4.657 4.320 -0.002 0.000 0.289 191 K C -0.622 175.959 176.600 -0.031 0.000 1.063 191 K CA -0.167 55.800 56.287 -0.534 0.000 0.967 191 K CB 0.244 32.276 32.500 -0.779 0.000 0.987 191 K HN 0.628 nan 8.250 nan 0.000 0.473 192 C N 4.507 123.980 119.300 0.289 0.000 2.301 192 C HA 0.439 4.898 4.460 -0.002 0.000 0.323 192 C C -0.574 174.723 174.990 0.513 0.000 1.265 192 C CA -1.048 58.202 59.018 0.388 0.000 1.503 192 C CB -0.280 27.717 27.740 0.429 0.000 2.195 192 C HN 0.708 nan 8.230 nan 0.000 0.477 193 L N 4.829 126.295 121.223 0.406 0.000 2.341 193 L HA 0.674 5.013 4.340 -0.002 0.000 0.278 193 L C -0.555 176.584 176.870 0.449 0.000 1.005 193 L CA 0.247 55.315 54.840 0.380 0.000 0.818 193 L CB 0.864 43.080 42.059 0.262 0.000 1.259 193 L HN 0.832 nan 8.230 nan 0.000 0.418 194 H N 3.223 122.494 119.070 0.336 0.000 2.930 194 H HA 0.685 5.240 4.556 -0.002 0.000 0.371 194 H C -2.010 173.466 175.328 0.246 0.000 1.169 194 H CA -0.342 55.890 56.048 0.307 0.000 1.157 194 H CB 2.158 32.029 29.762 0.181 0.000 1.789 194 H HN 0.704 nan 8.280 nan 0.000 0.547 195 S N 3.004 118.274 115.700 -0.716 0.000 2.535 195 S HA 0.193 4.662 4.470 -0.002 0.000 0.272 195 S C 0.847 174.889 174.600 -0.929 0.000 1.149 195 S CA -0.126 57.686 58.200 -0.647 0.000 0.888 195 S CB 1.029 64.039 63.200 -0.316 0.000 1.110 195 S HN 0.571 nan 8.310 nan 0.000 0.463 196 V N 2.074 121.599 119.914 -0.647 0.000 2.970 196 V HA 0.348 4.467 4.120 -0.002 0.000 0.260 196 V C 1.627 177.300 176.094 -0.703 0.000 1.100 196 V CA 1.302 63.278 62.300 -0.541 0.000 1.122 196 V CB -1.342 30.264 31.823 -0.362 0.000 0.721 196 V HN 2.049 nan 8.190 nan 0.000 0.483 197 G N -0.801 107.475 108.800 -0.874 0.000 2.147 197 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.244 197 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.244 197 G C 0.092 174.746 174.900 -0.411 0.000 1.005 197 G CA 0.083 44.567 45.100 -1.026 0.000 0.713 197 G HN 0.756 nan 8.290 nan 0.000 0.515 198 C N 2.683 121.808 119.300 -0.293 0.000 3.075 198 C HA 0.442 4.901 4.460 -0.002 0.000 0.262 198 C C -1.071 173.851 174.990 -0.115 0.000 1.371 198 C CA -1.496 57.423 59.018 -0.165 0.000 1.594 198 C CB 0.066 27.716 27.740 -0.150 0.000 1.849 198 C HN 0.517 nan 8.230 nan 0.000 0.475 199 P HA 0.143 nan 4.420 nan 0.000 0.271 199 P C -0.669 176.604 177.300 -0.045 0.000 1.233 199 P CA 0.368 63.431 63.100 -0.060 0.000 0.789 199 P CB 1.032 32.705 31.700 -0.044 0.000 0.951 200 L N 2.164 123.366 121.223 -0.034 0.000 2.343 200 L HA 0.425 4.764 4.340 -0.002 0.000 0.275 200 L C -1.691 175.167 176.870 -0.020 0.000 1.056 200 L CA -2.243 52.583 54.840 -0.023 0.000 0.804 200 L CB 0.936 42.986 42.059 -0.015 0.000 1.203 200 L HN 0.288 nan 8.230 nan 0.000 0.440 201 P HA 0.136 nan 4.420 nan 0.000 0.274 201 P C -0.618 176.673 177.300 -0.015 0.000 1.231 201 P CA -0.457 62.636 63.100 -0.012 0.000 0.790 201 P CB 0.855 32.550 31.700 -0.008 0.000 0.951 202 L N 2.950 124.165 121.223 -0.013 0.000 2.513 202 L HA -0.024 4.315 4.340 -0.002 0.000 0.272 202 L C 1.590 178.453 176.870 -0.011 0.000 1.187 202 L CA 0.154 54.985 54.840 -0.015 0.000 0.895 202 L CB 0.258 42.311 42.059 -0.010 0.000 1.147 202 L HN 0.339 nan 8.230 nan 0.000 0.483 203 Q N 3.215 123.007 119.800 -0.014 0.000 2.320 203 Q HA 0.206 4.545 4.340 -0.002 0.000 0.201 203 Q C -0.391 175.606 176.000 -0.005 0.000 0.910 203 Q CA 0.412 56.210 55.803 -0.009 0.000 0.946 203 Q CB 0.571 29.303 28.738 -0.010 0.000 1.062 203 Q HN 0.524 nan 8.270 nan 0.000 0.503 204 K N 0.453 120.850 120.400 -0.004 0.000 2.562 204 K HA 0.411 4.730 4.320 -0.002 0.000 0.267 204 K C -2.778 173.825 176.600 0.005 0.000 0.938 204 K CA -1.704 54.584 56.287 0.002 0.000 0.840 204 K CB 2.060 34.563 32.500 0.004 0.000 1.390 204 K HN -0.181 nan 8.250 nan 0.000 0.428 205 P HA 0.039 nan 4.420 nan 0.000 0.268 205 P C -1.162 176.151 177.300 0.021 0.000 1.208 205 P CA -0.534 62.574 63.100 0.014 0.000 0.777 205 P CB 0.436 32.144 31.700 0.014 0.000 0.875 206 L N 3.062 124.302 121.223 0.027 0.000 2.264 206 L HA 0.239 4.578 4.340 -0.002 0.000 0.289 206 L C -0.706 176.198 176.870 0.057 0.000 1.044 206 L CA -0.376 54.489 54.840 0.042 0.000 0.807 206 L CB 1.110 43.193 42.059 0.039 0.000 1.192 206 L HN 0.058 nan 8.230 nan 0.000 0.425 207 V N 5.902 125.862 119.914 0.077 0.000 2.488 207 V HA 0.220 4.339 4.120 -0.002 0.000 0.277 207 V C 0.631 176.792 176.094 0.111 0.000 1.046 207 V CA -0.536 61.809 62.300 0.074 0.000 0.986 207 V CB 0.800 32.665 31.823 0.070 0.000 0.989 207 V HN 0.918 nan 8.190 nan 0.000 0.475 208 N N 4.002 122.748 118.700 0.077 0.000 2.678 208 N HA -0.234 4.505 4.740 -0.002 0.000 0.249 208 N C 0.609 176.215 175.510 0.159 0.000 1.119 208 N CA 1.157 54.264 53.050 0.095 0.000 0.718 208 N CB -1.243 37.284 38.487 0.067 0.000 1.060 208 N HN 0.883 nan 8.380 nan 0.000 0.552 209 N N -2.378 116.404 118.700 0.137 0.000 2.708 209 N HA -0.230 4.509 4.740 -0.002 0.000 0.249 209 N C -0.897 174.724 175.510 0.185 0.000 1.097 209 N CA 1.179 54.307 53.050 0.131 0.000 0.710 209 N CB -1.063 37.491 38.487 0.111 0.000 1.032 209 N HN 0.614 nan 8.380 nan 0.000 0.551 210 W N 2.058 123.353 121.300 -0.007 0.000 2.394 210 W HA 0.342 5.001 4.660 -0.001 0.000 0.312 210 W C -2.756 173.749 176.519 -0.023 0.000 0.981 210 W CA -1.499 55.831 57.345 -0.024 0.000 1.519 210 W CB 0.899 30.345 29.460 -0.023 0.000 1.304 210 W HN -0.103 nan 8.180 nan 0.000 0.412 211 P HA 0.049 nan 4.420 nan 0.000 0.267 211 P C -0.333 176.782 177.300 -0.308 0.000 1.205 211 P CA 0.616 63.583 63.100 -0.223 0.000 0.765 211 P CB 0.568 32.126 31.700 -0.236 0.000 0.828 212 C N 0.766 119.982 119.300 -0.141 0.000 3.312 212 C HA 0.584 5.043 4.460 -0.002 0.000 0.332 212 C C -0.963 173.975 174.990 -0.087 0.000 1.340 212 C CA -0.840 58.117 59.018 -0.101 0.000 1.265 212 C CB 0.938 28.734 27.740 0.094 0.000 1.563 212 C HN 0.612 nan 8.230 nan 0.000 0.471 213 N N 1.022 119.658 118.700 -0.106 0.000 2.750 213 N HA 0.412 5.151 4.740 -0.002 0.000 0.253 213 N C -2.233 173.278 175.510 0.002 0.000 1.408 213 N CA -1.298 51.708 53.050 -0.074 0.000 0.780 213 N CB 1.410 39.792 38.487 -0.174 0.000 1.191 213 N HN 0.544 nan 8.380 nan 0.000 0.511 214 P HA -0.068 nan 4.420 nan 0.000 0.217 214 P C 0.571 177.911 177.300 0.066 0.000 1.151 214 P CA 1.080 64.216 63.100 0.060 0.000 0.828 214 P CB 0.426 32.164 31.700 0.062 0.000 0.788 215 E N -0.582 119.653 120.200 0.059 0.000 2.072 215 E HA -0.027 4.322 4.350 -0.002 0.000 0.191 215 E C 1.479 178.122 176.600 0.073 0.000 0.985 215 E CA 0.864 57.299 56.400 0.058 0.000 0.801 215 E CB -0.583 29.143 29.700 0.044 0.000 0.750 215 E HN 0.204 nan 8.360 nan 0.000 0.452 216 L N 0.951 122.235 121.223 0.102 0.000 2.685 216 L HA 0.167 4.506 4.340 -0.002 0.000 0.233 216 L C 0.132 177.132 176.870 0.217 0.000 1.173 216 L CA -0.235 54.685 54.840 0.133 0.000 0.961 216 L CB -0.032 42.127 42.059 0.167 0.000 1.217 216 L HN -0.029 nan 8.230 nan 0.000 0.478 217 T N 2.053 116.712 114.554 0.176 0.000 2.908 217 T HA 0.241 4.590 4.350 -0.002 0.000 0.301 217 T C -0.355 174.467 174.700 0.204 0.000 1.019 217 T CA 0.555 62.772 62.100 0.194 0.000 1.152 217 T CB 0.901 69.850 68.868 0.134 0.000 0.966 217 T HN 0.013 nan 8.240 nan 0.000 0.540 218 L N 4.873 126.252 121.223 0.260 0.000 2.543 218 L HA 0.611 4.950 4.340 -0.002 0.000 0.265 218 L C -1.838 175.209 176.870 0.294 0.000 0.945 218 L CA -0.456 54.536 54.840 0.253 0.000 0.869 218 L CB 1.618 43.822 42.059 0.243 0.000 1.294 218 L HN 0.522 nan 8.230 nan 0.000 0.405 219 I N 5.019 125.738 120.570 0.249 0.000 2.411 219 I HA 0.809 4.978 4.170 -0.002 0.000 0.284 219 I C -0.011 176.192 176.117 0.142 0.000 1.012 219 I CA -0.122 61.304 61.300 0.210 0.000 1.119 219 I CB 1.701 39.823 38.000 0.204 0.000 1.261 219 I HN 0.707 nan 8.210 nan 0.000 0.448 220 A N 4.821 127.672 122.820 0.051 0.000 2.356 220 A HA 0.912 5.231 4.320 -0.002 0.000 0.323 220 A C -1.197 176.169 177.584 -0.363 0.000 1.119 220 A CA -0.542 51.473 52.037 -0.037 0.000 0.790 220 A CB 0.675 19.689 19.000 0.023 0.000 1.273 220 A HN 0.704 nan 8.150 nan 0.000 0.452 221 H N 0.312 119.318 119.070 -0.105 0.000 2.689 221 H HA 0.563 5.118 4.556 -0.002 0.000 0.346 221 H C -1.449 173.765 175.328 -0.189 0.000 1.037 221 H CA -0.529 55.459 56.048 -0.100 0.000 1.234 221 H CB 1.269 31.024 29.762 -0.012 0.000 1.572 221 H HN 0.371 nan 8.280 nan 0.000 0.524 222 L N 5.329 126.484 121.223 -0.114 0.000 2.387 222 L HA 0.332 4.671 4.340 -0.002 0.000 0.259 222 L C -1.830 174.980 176.870 -0.100 0.000 1.050 222 L CA -1.388 53.358 54.840 -0.158 0.000 0.922 222 L CB 1.291 43.194 42.059 -0.259 0.000 1.280 222 L HN 0.500 nan 8.230 nan 0.000 0.449 223 P HA -0.116 nan 4.420 nan 0.000 0.217 223 P C 0.670 177.913 177.300 -0.095 0.000 1.150 223 P CA 1.138 64.200 63.100 -0.064 0.000 0.832 223 P CB 0.337 32.016 31.700 -0.035 0.000 0.787 224 D N -0.997 119.353 120.400 -0.083 0.000 2.371 224 D HA -0.045 4.594 4.640 -0.002 0.000 0.221 224 D C 1.420 177.656 176.300 -0.106 0.000 0.986 224 D CA 0.728 54.676 54.000 -0.087 0.000 0.899 224 D CB -0.065 40.698 40.800 -0.062 0.000 0.902 224 D HN 0.268 nan 8.370 nan 0.000 0.530 225 R N -0.152 120.273 120.500 -0.125 0.000 2.535 225 R HA 0.188 4.527 4.340 -0.002 0.000 0.323 225 R C -0.113 176.074 176.300 -0.189 0.000 0.979 225 R CA -0.449 55.562 56.100 -0.148 0.000 1.120 225 R CB 0.763 30.977 30.300 -0.143 0.000 1.306 225 R HN -0.192 nan 8.270 nan 0.000 0.540 226 R N 1.772 122.160 120.500 -0.187 0.000 3.301 226 R HA -0.195 4.144 4.340 -0.002 0.000 0.249 226 R C -1.150 175.004 176.300 -0.243 0.000 0.964 226 R CA 0.947 56.910 56.100 -0.229 0.000 0.653 226 R CB -1.581 28.551 30.300 -0.280 0.000 1.043 226 R HN 0.402 nan 8.270 nan 0.000 0.454 227 E N 0.038 120.127 120.200 -0.185 0.000 2.222 227 E HA 0.525 4.874 4.350 -0.002 0.000 0.267 227 E C -0.199 176.337 176.600 -0.107 0.000 0.884 227 E CA -0.909 55.402 56.400 -0.148 0.000 0.764 227 E CB 1.999 31.613 29.700 -0.142 0.000 1.169 227 E HN 0.099 nan 8.360 nan 0.000 0.413 228 I N 3.298 123.838 120.570 -0.049 0.000 2.465 228 I HA 0.449 4.618 4.170 -0.002 0.000 0.291 228 I C -0.625 175.519 176.117 0.044 0.000 1.014 228 I CA -0.660 60.609 61.300 -0.050 0.000 1.093 228 I CB 1.444 39.449 38.000 0.008 0.000 1.267 228 I HN 0.359 nan 8.210 nan 0.000 0.431 229 I N 4.712 125.306 120.570 0.040 0.000 2.500 229 I HA 0.312 4.481 4.170 -0.002 0.000 0.286 229 I C -0.537 175.793 176.117 0.355 0.000 1.063 229 I CA -0.191 61.242 61.300 0.222 0.000 1.062 229 I CB 2.077 40.224 38.000 0.244 0.000 1.223 229 I HN 0.450 nan 8.210 nan 0.000 0.435 230 S N 6.495 122.488 115.700 0.488 0.000 2.521 230 S HA 0.779 5.248 4.470 -0.002 0.000 0.295 230 S C -1.397 173.498 174.600 0.491 0.000 1.098 230 S CA -0.406 58.076 58.200 0.470 0.000 0.999 230 S CB 1.236 64.697 63.200 0.434 0.000 1.034 230 S HN 0.428 nan 8.310 nan 0.000 0.483 231 F N 2.955 122.989 119.950 0.140 0.000 2.604 231 F HA 0.601 5.127 4.527 -0.001 0.000 0.316 231 F C 0.603 176.345 175.800 -0.097 0.000 1.136 231 F CA 0.531 58.441 58.000 -0.151 0.000 0.989 231 F CB 1.371 40.146 39.000 -0.376 0.000 1.258 231 F HN 0.851 nan 8.300 nan 0.000 0.451 232 G N 2.869 111.297 108.800 -0.619 0.000 2.284 232 G HA2 -0.140 3.819 3.960 -0.002 0.000 0.216 232 G HA3 -0.140 3.819 3.960 -0.002 0.000 0.216 232 G C -0.162 174.656 174.900 -0.136 0.000 1.009 232 G CA 0.051 44.931 45.100 -0.367 0.000 0.625 232 G HN 1.167 nan 8.290 nan 0.000 0.501 233 S N 0.033 115.729 115.700 -0.006 0.000 2.500 233 S HA 0.637 5.106 4.470 -0.002 0.000 0.301 233 S C 1.018 175.759 174.600 0.235 0.000 1.092 233 S CA 0.762 59.051 58.200 0.149 0.000 1.030 233 S CB 1.598 64.931 63.200 0.221 0.000 1.031 233 S HN 1.400 nan 8.310 nan 0.000 0.483 234 G N 2.379 111.308 108.800 0.214 0.000 3.233 234 G HA2 0.168 4.128 3.960 -0.002 0.000 0.234 234 G HA3 0.168 4.128 3.960 -0.002 0.000 0.234 234 G C -0.333 174.799 174.900 0.387 0.000 1.137 234 G CA -0.068 45.100 45.100 0.113 0.000 0.763 234 G HN 0.677 nan 8.290 nan 0.000 0.549 235 Y N 1.401 121.939 120.300 0.396 0.000 2.320 235 Y HA 0.438 4.987 4.550 -0.002 0.000 0.334 235 Y C 1.409 177.461 175.900 0.253 0.000 1.055 235 Y CA 0.308 58.656 58.100 0.413 0.000 1.143 235 Y CB 1.182 39.830 38.460 0.313 0.000 1.193 235 Y HN 0.346 nan 8.280 nan 0.000 0.477 236 G N 3.862 112.622 108.800 -0.067 0.000 2.700 236 G HA2 -0.453 3.506 3.960 -0.002 0.000 0.350 236 G HA3 -0.453 3.506 3.960 -0.002 0.000 0.350 236 G C 1.357 176.224 174.900 -0.055 0.000 1.250 236 G CA 0.711 45.745 45.100 -0.111 0.000 0.978 236 G HN 1.362 nan 8.290 nan 0.000 0.551 237 G N 0.008 108.877 108.800 0.114 0.000 2.479 237 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.220 237 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.220 237 G C 1.497 176.479 174.900 0.137 0.000 1.115 237 G CA 1.642 46.805 45.100 0.104 0.000 0.757 237 G HN 0.615 nan 8.290 nan 0.000 0.560 238 N N 0.256 119.066 118.700 0.183 0.000 2.395 238 N HA -0.028 4.711 4.740 -0.002 0.000 0.175 238 N C 2.324 177.925 175.510 0.152 0.000 1.029 238 N CA 1.372 54.543 53.050 0.202 0.000 0.897 238 N CB 0.232 38.871 38.487 0.254 0.000 0.991 238 N HN 0.503 nan 8.380 nan 0.000 0.441 239 S N -0.489 115.223 115.700 0.021 0.000 2.665 239 S HA 0.230 4.699 4.470 -0.002 0.000 0.240 239 S C 0.728 175.130 174.600 -0.330 0.000 1.081 239 S CA -0.371 57.673 58.200 -0.260 0.000 0.887 239 S CB -0.038 62.985 63.200 -0.294 0.000 0.805 239 S HN 0.014 nan 8.310 nan 0.000 0.486 240 L N 3.394 124.455 121.223 -0.271 0.000 2.448 240 L HA 0.325 4.665 4.340 -0.002 0.000 0.278 240 L C 0.857 177.594 176.870 -0.221 0.000 1.201 240 L CA -0.231 54.408 54.840 -0.334 0.000 1.036 240 L CB -0.108 41.670 42.059 -0.468 0.000 1.325 240 L HN 0.265 nan 8.230 nan 0.000 0.441 241 L N 1.780 122.908 121.223 -0.159 0.000 2.275 241 L HA -0.062 4.277 4.340 -0.002 0.000 0.215 241 L C 2.441 179.394 176.870 0.139 0.000 1.119 241 L CA 0.980 55.840 54.840 0.034 0.000 0.790 241 L CB -0.419 41.719 42.059 0.131 0.000 0.919 241 L HN 0.767 nan 8.230 nan 0.000 0.443 242 G N 0.182 108.934 108.800 -0.080 0.000 2.443 242 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.219 242 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.219 242 G C 1.601 176.515 174.900 0.024 0.000 1.131 242 G CA 0.531 45.643 45.100 0.021 0.000 0.775 242 G HN 0.280 nan 8.290 nan 0.000 0.547 243 K N 0.123 120.480 120.400 -0.071 0.000 1.984 243 K HA -0.005 4.314 4.320 -0.002 0.000 0.219 243 K C 2.465 179.051 176.600 -0.022 0.000 1.033 243 K CA 1.034 57.263 56.287 -0.097 0.000 0.983 243 K CB -0.040 32.346 32.500 -0.191 0.000 0.762 243 K HN -0.071 nan 8.250 nan 0.000 0.445 244 K N 0.373 120.761 120.400 -0.019 0.000 2.067 244 K HA -0.006 4.313 4.320 -0.002 0.000 0.203 244 K C 2.419 179.131 176.600 0.186 0.000 1.048 244 K CA 1.127 57.396 56.287 -0.030 0.000 0.954 244 K CB -0.770 31.742 32.500 0.019 0.000 0.737 244 K HN 0.357 nan 8.250 nan 0.000 0.444 245 C N 0.917 120.396 119.300 0.298 0.000 2.413 245 C HA -0.090 4.369 4.460 -0.002 0.000 0.276 245 C C 2.543 177.803 174.990 0.450 0.000 1.248 245 C CA 0.353 59.656 59.018 0.475 0.000 1.742 245 C CB -0.873 27.097 27.740 0.383 0.000 2.017 245 C HN 0.326 nan 8.230 nan 0.000 0.481 246 F N 1.767 121.871 119.950 0.257 0.000 2.202 246 F HA 0.315 4.841 4.527 -0.001 0.000 0.279 246 F C 2.386 178.392 175.800 0.344 0.000 1.077 246 F CA 1.088 59.266 58.000 0.297 0.000 1.193 246 F CB -1.245 37.969 39.000 0.356 0.000 1.090 246 F HN 0.080 nan 8.300 nan 0.000 0.516 247 A N 0.262 123.464 122.820 0.637 0.000 2.070 247 A HA -0.062 4.257 4.320 -0.002 0.000 0.220 247 A C 2.135 180.083 177.584 0.607 0.000 1.159 247 A CA 1.908 54.348 52.037 0.672 0.000 0.656 247 A CB -0.747 18.398 19.000 0.243 0.000 0.800 247 A HN 0.501 nan 8.150 nan 0.000 0.453 248 L N -2.673 118.746 121.223 0.327 0.000 2.590 248 L HA 0.124 4.463 4.340 -0.002 0.000 0.181 248 L C 2.700 179.685 176.870 0.192 0.000 1.134 248 L CA 0.118 55.083 54.840 0.209 0.000 0.850 248 L CB -0.454 41.592 42.059 -0.022 0.000 1.172 248 L HN 0.166 nan 8.230 nan 0.000 0.498 249 R N -0.166 120.433 120.500 0.166 0.000 2.070 249 R HA -0.161 4.178 4.340 -0.002 0.000 0.232 249 R C 2.120 178.476 176.300 0.094 0.000 1.138 249 R CA 1.693 57.839 56.100 0.078 0.000 0.936 249 R CB -0.436 29.779 30.300 -0.141 0.000 0.839 249 R HN 0.186 nan 8.270 nan 0.000 0.429 250 M N 0.866 120.548 119.600 0.136 0.000 2.077 250 M HA -0.024 4.455 4.480 -0.002 0.000 0.261 250 M C 2.187 178.496 176.300 0.015 0.000 1.070 250 M CA 1.877 57.210 55.300 0.055 0.000 1.125 250 M CB -0.376 32.208 32.600 -0.028 0.000 1.339 250 M HN 0.156 nan 8.290 nan 0.000 0.409 251 A N -0.704 122.180 122.820 0.106 0.000 2.024 251 A HA -0.155 4.164 4.320 -0.002 0.000 0.220 251 A C 2.260 179.661 177.584 -0.305 0.000 1.164 251 A CA 2.155 54.146 52.037 -0.077 0.000 0.643 251 A CB -1.316 17.673 19.000 -0.019 0.000 0.806 251 A HN 0.731 nan 8.150 nan 0.000 0.451 252 S N -1.208 114.449 115.700 -0.072 0.000 2.436 252 S HA -0.047 4.422 4.470 -0.002 0.000 0.228 252 S C 2.046 176.634 174.600 -0.021 0.000 1.014 252 S CA 0.671 58.884 58.200 0.022 0.000 0.950 252 S CB -0.269 63.120 63.200 0.315 0.000 0.784 252 S HN 0.464 nan 8.310 nan 0.000 0.504 253 R N 1.332 121.785 120.500 -0.078 0.000 2.057 253 R HA 0.209 4.548 4.340 -0.002 0.000 0.229 253 R C 2.325 178.375 176.300 -0.416 0.000 1.136 253 R CA 1.206 57.119 56.100 -0.312 0.000 0.952 253 R CB -1.251 28.961 30.300 -0.147 0.000 0.848 253 R HN 0.477 nan 8.270 nan 0.000 0.430 254 L N 0.239 121.267 121.223 -0.326 0.000 1.971 254 L HA -0.234 4.105 4.340 -0.002 0.000 0.215 254 L C 2.632 179.180 176.870 -0.538 0.000 1.072 254 L CA 1.829 56.487 54.840 -0.303 0.000 0.758 254 L CB -0.821 41.149 42.059 -0.147 0.000 0.889 254 L HN 0.181 nan 8.230 nan 0.000 0.433 255 A N -0.480 121.709 122.820 -1.051 0.000 1.986 255 A HA -0.282 4.037 4.320 -0.002 0.000 0.220 255 A C 2.402 179.452 177.584 -0.891 0.000 1.171 255 A CA 2.142 53.164 52.037 -1.691 0.000 0.640 255 A CB -0.540 17.333 19.000 -1.879 0.000 0.811 255 A HN 0.394 nan 8.150 nan 0.000 0.451 256 K N -0.259 119.618 120.400 -0.872 0.000 2.001 256 K HA -0.176 4.143 4.320 -0.002 0.000 0.208 256 K C 1.921 178.168 176.600 -0.588 0.000 1.048 256 K CA 1.628 57.245 56.287 -1.117 0.000 0.932 256 K CB -0.208 31.584 32.500 -1.181 0.000 0.715 256 K HN 0.650 nan 8.250 nan 0.000 0.437 257 E N 0.276 120.215 120.200 -0.434 0.000 2.118 257 E HA -0.201 4.149 4.350 -0.002 0.000 0.195 257 E C 1.269 177.805 176.600 -0.108 0.000 0.992 257 E CA 1.383 57.643 56.400 -0.232 0.000 0.804 257 E CB 0.051 29.638 29.700 -0.188 0.000 0.741 257 E HN 0.424 nan 8.360 nan 0.000 0.458 258 E N -0.923 119.227 120.200 -0.084 0.000 2.498 258 E HA 0.149 4.498 4.350 -0.002 0.000 0.203 258 E C 0.521 177.292 176.600 0.284 0.000 1.013 258 E CA 0.211 56.697 56.400 0.144 0.000 0.927 258 E CB 1.144 31.069 29.700 0.374 0.000 1.012 258 E HN 0.317 nan 8.360 nan 0.000 0.482 259 G N 1.642 110.553 108.800 0.184 0.000 2.137 259 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.237 259 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.237 259 G C -0.188 174.856 174.900 0.241 0.000 1.002 259 G CA 0.422 45.673 45.100 0.251 0.000 0.702 259 G HN 0.274 nan 8.290 nan 0.000 0.515 260 W N -1.519 119.783 121.300 0.002 0.000 3.429 260 W HA 0.817 5.475 4.660 -0.002 0.000 0.355 260 W C -1.099 175.357 176.519 -0.104 0.000 1.131 260 W CA -1.659 55.595 57.345 -0.152 0.000 1.031 260 W CB 0.737 30.103 29.460 -0.157 0.000 1.534 260 W HN 0.155 nan 8.180 nan 0.000 0.605 261 L N 1.612 122.867 121.223 0.053 0.000 2.409 261 L HA 0.641 4.980 4.340 -0.002 0.000 0.272 261 L C -0.294 176.641 176.870 0.109 0.000 0.980 261 L CA -0.919 53.853 54.840 -0.114 0.000 0.826 261 L CB 1.734 43.592 42.059 -0.335 0.000 1.268 261 L HN 0.547 nan 8.230 nan 0.000 0.407 262 A N 3.182 125.998 122.820 -0.007 0.000 2.256 262 A HA 0.771 5.090 4.320 -0.002 0.000 0.317 262 A C -0.586 177.230 177.584 0.387 0.000 1.318 262 A CA -0.450 51.696 52.037 0.182 0.000 0.894 262 A CB 0.522 19.451 19.000 -0.118 0.000 1.165 262 A HN 0.600 nan 8.150 nan 0.000 0.525 263 E N 0.871 121.365 120.200 0.490 0.000 2.317 263 E HA 0.185 4.534 4.350 -0.002 0.000 0.270 263 E C -1.150 175.699 176.600 0.415 0.000 0.885 263 E CA -0.539 56.146 56.400 0.476 0.000 0.760 263 E CB 1.629 31.637 29.700 0.513 0.000 1.227 263 E HN 0.796 nan 8.360 nan 0.000 0.434 264 H N 3.139 122.362 119.070 0.255 0.000 3.014 264 H HA 0.364 4.919 4.556 -0.002 0.000 0.266 264 H C -0.721 174.714 175.328 0.179 0.000 1.455 264 H CA 0.032 56.175 56.048 0.158 0.000 1.402 264 H CB 0.022 29.871 29.762 0.145 0.000 1.626 264 H HN 0.259 nan 8.280 nan 0.000 0.520 265 M N 4.607 124.312 119.600 0.176 0.000 2.413 265 M HA 0.142 4.621 4.480 -0.002 0.000 0.287 265 M C -1.149 175.204 176.300 0.089 0.000 1.186 265 M CA -1.152 54.189 55.300 0.069 0.000 0.927 265 M CB 2.618 35.287 32.600 0.114 0.000 1.715 265 M HN 0.328 nan 8.290 nan 0.000 0.478 266 L N 0.873 122.132 121.223 0.060 0.000 2.456 266 L HA 0.855 5.194 4.340 -0.002 0.000 0.257 266 L C -0.660 176.285 176.870 0.125 0.000 1.162 266 L CA -0.530 54.381 54.840 0.118 0.000 0.808 266 L CB 0.407 42.554 42.059 0.145 0.000 1.136 266 L HN 0.439 nan 8.230 nan 0.000 0.466 267 V N 2.900 122.911 119.914 0.162 0.000 2.482 267 V HA 0.582 4.701 4.120 -0.002 0.000 0.295 267 V C -0.442 175.797 176.094 0.241 0.000 1.026 267 V CA -0.382 62.031 62.300 0.189 0.000 0.856 267 V CB 1.330 33.253 31.823 0.166 0.000 1.001 267 V HN 0.853 nan 8.190 nan 0.000 0.424 268 L N 2.784 124.166 121.223 0.266 0.000 2.370 268 L HA 1.088 5.427 4.340 -0.002 0.000 0.266 268 L C 0.131 177.152 176.870 0.251 0.000 1.002 268 L CA -0.538 54.456 54.840 0.257 0.000 0.818 268 L CB 2.082 44.255 42.059 0.190 0.000 1.325 268 L HN 0.543 nan 8.230 nan 0.000 0.418 269 G N 2.417 111.294 108.800 0.128 0.000 2.415 269 G HA2 0.581 4.540 3.960 -0.002 0.000 0.317 269 G HA3 0.581 4.540 3.960 -0.002 0.000 0.317 269 G C -0.921 173.922 174.900 -0.095 0.000 1.152 269 G CA -0.340 44.589 45.100 -0.284 0.000 0.956 269 G HN 0.879 nan 8.290 nan 0.000 0.458 270 I N 3.805 124.356 120.570 -0.032 0.000 2.388 270 I HA 0.286 4.455 4.170 -0.002 0.000 0.281 270 I C 0.610 176.842 176.117 0.192 0.000 1.046 270 I CA -0.454 60.945 61.300 0.164 0.000 1.187 270 I CB 0.531 38.730 38.000 0.331 0.000 1.351 270 I HN 0.417 nan 8.210 nan 0.000 0.472 271 T N 6.036 120.610 114.554 0.033 0.000 2.887 271 T HA 0.193 4.542 4.350 -0.002 0.000 0.371 271 T C 0.149 174.526 174.700 -0.538 0.000 1.126 271 T CA -0.328 61.715 62.100 -0.096 0.000 1.043 271 T CB 0.229 69.021 68.868 -0.128 0.000 1.362 271 T HN 0.827 nan 8.240 nan 0.000 0.525 272 N N -0.608 117.587 118.700 -0.841 0.000 3.378 272 N HA 0.240 4.979 4.740 -0.002 0.000 0.294 272 N C -2.833 172.029 175.510 -1.080 0.000 1.544 272 N CA -1.376 50.623 53.050 -1.753 0.000 0.872 272 N CB 0.139 37.187 38.487 -2.399 0.000 1.670 272 N HN 0.184 nan 8.380 nan 0.000 0.551 273 P HA -0.147 nan 4.420 nan 0.000 0.214 273 P C 0.291 177.413 177.300 -0.297 0.000 1.169 273 P CA 2.004 64.821 63.100 -0.471 0.000 0.908 273 P CB 0.086 31.625 31.700 -0.269 0.000 0.791 274 E N -1.503 118.540 120.200 -0.261 0.000 2.494 274 E HA 0.246 4.595 4.350 -0.002 0.000 0.193 274 E C 1.403 177.928 176.600 -0.126 0.000 1.074 274 E CA 0.737 57.050 56.400 -0.145 0.000 0.867 274 E CB -0.841 28.805 29.700 -0.090 0.000 0.924 274 E HN 0.385 nan 8.360 nan 0.000 0.502 275 G N 0.975 109.667 108.800 -0.180 0.000 2.175 275 G HA2 -0.361 3.598 3.960 -0.002 0.000 0.244 275 G HA3 -0.361 3.598 3.960 -0.002 0.000 0.244 275 G C 0.135 174.989 174.900 -0.076 0.000 0.982 275 G CA 0.135 45.161 45.100 -0.122 0.000 0.641 275 G HN 0.385 nan 8.290 nan 0.000 0.527 276 E N 0.902 121.072 120.200 -0.051 0.000 2.344 276 E HA 0.448 4.797 4.350 -0.002 0.000 0.270 276 E C 0.153 176.871 176.600 0.197 0.000 1.021 276 E CA -0.171 56.285 56.400 0.092 0.000 0.887 276 E CB 0.396 30.223 29.700 0.212 0.000 0.997 276 E HN 0.383 nan 8.360 nan 0.000 0.429 277 K N 3.807 124.287 120.400 0.132 0.000 2.267 277 K HA 0.426 4.745 4.320 -0.002 0.000 0.246 277 K C -0.969 175.622 176.600 -0.014 0.000 0.954 277 K CA -0.643 55.700 56.287 0.093 0.000 0.824 277 K CB 1.258 33.736 32.500 -0.038 0.000 1.167 277 K HN 0.426 nan 8.250 nan 0.000 0.431 278 K N 1.367 121.720 120.400 -0.079 0.000 2.469 278 K HA 0.355 4.674 4.320 -0.002 0.000 0.268 278 K C -1.653 174.768 176.600 -0.297 0.000 1.027 278 K CA -0.864 55.318 56.287 -0.176 0.000 0.893 278 K CB 1.590 33.923 32.500 -0.277 0.000 1.460 278 K HN 0.403 nan 8.250 nan 0.000 0.449 279 Y N 0.612 120.944 120.300 0.054 0.000 2.406 279 Y HA 0.498 5.048 4.550 -0.001 0.000 0.340 279 Y C -0.768 175.186 175.900 0.090 0.000 0.975 279 Y CA -0.859 57.292 58.100 0.085 0.000 1.056 279 Y CB 1.606 40.105 38.460 0.066 0.000 1.210 279 Y HN 0.206 nan 8.280 nan 0.000 0.448 280 L N 2.788 124.172 121.223 0.268 0.000 2.388 280 L HA 0.939 5.279 4.340 -0.002 0.000 0.264 280 L C -0.749 176.220 176.870 0.165 0.000 0.998 280 L CA -0.916 54.041 54.840 0.197 0.000 0.817 280 L CB 2.262 44.442 42.059 0.201 0.000 1.338 280 L HN 0.696 nan 8.230 nan 0.000 0.414 281 A N 1.835 124.712 122.820 0.095 0.000 2.355 281 A HA 0.957 5.276 4.320 -0.002 0.000 0.317 281 A C -0.964 176.570 177.584 -0.082 0.000 1.094 281 A CA -0.411 51.653 52.037 0.046 0.000 0.764 281 A CB 1.632 20.673 19.000 0.068 0.000 1.230 281 A HN 0.745 nan 8.150 nan 0.000 0.448 282 A N 1.141 123.879 122.820 -0.136 0.000 2.374 282 A HA 0.798 5.117 4.320 -0.002 0.000 0.305 282 A C -0.243 177.068 177.584 -0.455 0.000 1.053 282 A CA 0.068 51.867 52.037 -0.396 0.000 0.726 282 A CB 1.360 20.076 19.000 -0.473 0.000 1.229 282 A HN 2.240 nan 8.150 nan 0.000 0.431 283 A N 2.481 124.992 122.820 -0.516 0.000 2.399 283 A HA 0.702 5.021 4.320 -0.002 0.000 0.327 283 A C -0.786 176.623 177.584 -0.293 0.000 1.367 283 A CA -0.323 51.550 52.037 -0.273 0.000 0.842 283 A CB -0.389 18.644 19.000 0.056 0.000 1.142 283 A HN 0.627 nan 8.150 nan 0.000 0.495 284 F N 3.314 123.263 119.950 -0.002 0.000 2.399 284 F HA 0.515 5.041 4.527 -0.001 0.000 0.328 284 F C -1.377 174.436 175.800 0.021 0.000 1.084 284 F CA -1.915 56.103 58.000 0.031 0.000 1.053 284 F CB 1.327 40.379 39.000 0.088 0.000 1.209 284 F HN 0.385 nan 8.300 nan 0.000 0.502 285 P HA 0.053 nan 4.420 nan 0.000 0.318 285 P C -0.548 176.865 177.300 0.188 0.000 1.309 285 P CA -0.376 62.840 63.100 0.194 0.000 0.736 285 P CB 0.560 32.341 31.700 0.136 0.000 1.440 286 S N -1.744 114.040 115.700 0.139 0.000 2.617 286 S HA 0.437 4.906 4.470 -0.002 0.000 0.269 286 S C 0.001 174.633 174.600 0.053 0.000 1.292 286 S CA 0.365 58.631 58.200 0.109 0.000 1.010 286 S CB -1.047 62.205 63.200 0.087 0.000 0.944 286 S HN 0.690 nan 8.310 nan 0.000 0.536 287 A N 1.808 124.645 122.820 0.028 0.000 2.362 287 A HA -0.172 4.147 4.320 -0.002 0.000 0.290 287 A C 0.753 178.299 177.584 -0.064 0.000 1.441 287 A CA 0.706 52.723 52.037 -0.033 0.000 0.743 287 A CB -2.134 16.826 19.000 -0.066 0.000 1.125 287 A HN 0.981 nan 8.150 nan 0.000 0.378 288 C N -1.318 117.994 119.300 0.020 0.000 4.260 288 C HA 0.532 4.991 4.460 -0.002 0.000 0.363 288 C C 1.970 177.086 174.990 0.210 0.000 1.765 288 C CA 1.035 60.113 59.018 0.100 0.000 1.877 288 C CB -0.292 27.504 27.740 0.094 0.000 3.089 288 C HN 2.642 nan 8.230 nan 0.000 0.652 289 G N 1.757 110.652 108.800 0.159 0.000 2.157 289 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.248 289 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.248 289 G C 1.013 175.970 174.900 0.095 0.000 0.979 289 G CA 0.910 46.108 45.100 0.164 0.000 0.650 289 G HN 0.539 nan 8.290 nan 0.000 0.529 290 K N -0.158 120.323 120.400 0.136 0.000 2.081 290 K HA -0.290 4.029 4.320 -0.002 0.000 0.222 290 K C 2.306 179.043 176.600 0.229 0.000 1.055 290 K CA 2.728 59.203 56.287 0.312 0.000 0.954 290 K CB -0.539 32.149 32.500 0.312 0.000 0.732 290 K HN 0.434 nan 8.250 nan 0.000 0.458 291 T N 1.161 115.796 114.554 0.136 0.000 2.904 291 T HA -0.030 4.319 4.350 -0.002 0.000 0.267 291 T C 1.483 176.206 174.700 0.037 0.000 1.059 291 T CA 1.002 63.152 62.100 0.083 0.000 1.137 291 T CB -0.295 68.606 68.868 0.054 0.000 0.879 291 T HN 0.315 nan 8.240 nan 0.000 0.467 292 N N 1.632 120.345 118.700 0.021 0.000 2.094 292 N HA -0.089 4.650 4.740 -0.002 0.000 0.191 292 N C 1.733 177.243 175.510 0.000 0.000 1.023 292 N CA 0.845 53.882 53.050 -0.023 0.000 0.857 292 N CB -0.623 37.834 38.487 -0.051 0.000 1.013 292 N HN 0.204 nan 8.380 nan 0.000 0.426 293 L N 1.329 122.579 121.223 0.046 0.000 2.017 293 L HA -0.031 4.308 4.340 -0.002 0.000 0.208 293 L C 2.208 179.132 176.870 0.090 0.000 1.073 293 L CA 1.537 56.421 54.840 0.073 0.000 0.745 293 L CB -1.144 41.032 42.059 0.195 0.000 0.894 293 L HN 0.158 nan 8.230 nan 0.000 0.432 294 A N -0.778 122.104 122.820 0.104 0.000 2.024 294 A HA -0.173 4.146 4.320 -0.002 0.000 0.220 294 A C 1.822 179.426 177.584 0.034 0.000 1.164 294 A CA 1.996 54.089 52.037 0.094 0.000 0.643 294 A CB -0.493 18.567 19.000 0.101 0.000 0.806 294 A HN 0.558 nan 8.150 nan 0.000 0.451 295 M N -1.136 118.454 119.600 -0.016 0.000 2.589 295 M HA 0.340 4.819 4.480 -0.002 0.000 0.344 295 M C 0.326 176.608 176.300 -0.029 0.000 1.168 295 M CA -0.112 55.156 55.300 -0.052 0.000 0.956 295 M CB -0.205 32.316 32.600 -0.131 0.000 1.370 295 M HN 0.444 nan 8.290 nan 0.000 0.518 296 M N 2.723 122.323 119.600 -0.000 0.000 2.356 296 M HA 0.059 4.538 4.480 -0.002 0.000 0.348 296 M C -0.204 176.102 176.300 0.009 0.000 1.595 296 M CA 0.843 56.142 55.300 -0.001 0.000 1.095 296 M CB 0.029 32.633 32.600 0.006 0.000 1.963 296 M HN 0.351 nan 8.290 nan 0.000 0.459 297 N N 7.882 126.580 118.700 -0.003 0.000 2.406 297 N HA 0.245 4.984 4.740 -0.002 0.000 0.265 297 N C -2.300 173.218 175.510 0.013 0.000 1.203 297 N CA -1.364 51.690 53.050 0.008 0.000 0.945 297 N CB 0.663 39.147 38.487 -0.005 0.000 1.165 297 N HN 0.420 nan 8.380 nan 0.000 0.485 298 P HA -0.007 nan 4.420 nan 0.000 0.271 298 P C 0.357 177.666 177.300 0.015 0.000 1.216 298 P CA -0.210 62.907 63.100 0.029 0.000 0.771 298 P CB 1.546 33.301 31.700 0.092 0.000 0.864 299 S N 4.068 119.755 115.700 -0.021 0.000 2.357 299 S HA -0.057 4.412 4.470 -0.002 0.000 0.221 299 S C 1.138 175.730 174.600 -0.014 0.000 1.031 299 S CA 0.304 58.489 58.200 -0.025 0.000 0.982 299 S CB -0.960 62.210 63.200 -0.050 0.000 0.853 299 S HN 0.356 nan 8.310 nan 0.000 0.458 300 L N 2.384 123.575 121.223 -0.054 0.000 2.492 300 L HA 0.254 4.593 4.340 -0.002 0.000 0.280 300 L C -2.289 174.654 176.870 0.121 0.000 1.240 300 L CA -1.494 53.324 54.840 -0.038 0.000 0.831 300 L CB -0.531 41.348 42.059 -0.300 0.000 1.100 300 L HN 0.223 nan 8.230 nan 0.000 0.505 301 P HA 0.192 nan 4.420 nan 0.000 0.284 301 P C 0.389 177.833 177.300 0.239 0.000 1.253 301 P CA -0.077 63.121 63.100 0.162 0.000 0.800 301 P CB 1.222 32.986 31.700 0.107 0.000 0.961 302 G N 0.190 109.066 108.800 0.125 0.000 2.203 302 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.263 302 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.263 302 G C -0.716 174.145 174.900 -0.066 0.000 1.012 302 G CA -0.297 44.816 45.100 0.022 0.000 0.749 302 G HN 0.395 nan 8.290 nan 0.000 0.512 303 W N -0.346 120.927 121.300 -0.045 0.000 2.573 303 W HA 0.687 5.346 4.660 -0.002 0.000 0.326 303 W C 0.374 176.871 176.519 -0.037 0.000 1.049 303 W CA -0.906 56.404 57.345 -0.059 0.000 1.220 303 W CB 1.486 30.912 29.460 -0.056 0.000 1.373 303 W HN 0.014 nan 8.180 nan 0.000 0.507 304 K N 2.759 123.241 120.400 0.137 0.000 2.450 304 K HA 0.595 4.914 4.320 -0.002 0.000 0.257 304 K C -1.507 175.177 176.600 0.139 0.000 0.953 304 K CA -0.549 55.792 56.287 0.090 0.000 0.844 304 K CB 1.415 33.914 32.500 -0.003 0.000 1.103 304 K HN 0.300 nan 8.250 nan 0.000 0.429 305 V N 4.320 124.312 119.914 0.129 0.000 2.435 305 V HA 0.351 4.470 4.120 -0.002 0.000 0.290 305 V C -0.538 175.606 176.094 0.085 0.000 1.030 305 V CA -0.564 61.807 62.300 0.119 0.000 0.881 305 V CB 1.694 33.587 31.823 0.117 0.000 0.983 305 V HN 0.792 nan 8.190 nan 0.000 0.445 306 E N 2.430 122.683 120.200 0.089 0.000 2.288 306 E HA 0.407 4.756 4.350 -0.002 0.000 0.268 306 E C -1.385 175.294 176.600 0.132 0.000 0.885 306 E CA -0.587 55.871 56.400 0.097 0.000 0.767 306 E CB 2.569 32.331 29.700 0.103 0.000 1.220 306 E HN 0.631 nan 8.360 nan 0.000 0.427 307 C N 2.721 122.096 119.300 0.126 0.000 2.281 307 C HA 0.365 4.824 4.460 -0.002 0.000 0.325 307 C C 1.305 176.418 174.990 0.205 0.000 1.282 307 C CA -0.285 58.827 59.018 0.156 0.000 1.640 307 C CB -0.256 27.549 27.740 0.109 0.000 2.288 307 C HN 0.683 nan 8.230 nan 0.000 0.507 308 V N 5.078 125.148 119.914 0.260 0.000 2.672 308 V HA 0.414 4.533 4.120 -0.002 0.000 0.242 308 V C 1.378 177.626 176.094 0.257 0.000 1.059 308 V CA 1.322 63.799 62.300 0.296 0.000 1.081 308 V CB -0.104 31.886 31.823 0.278 0.000 0.752 308 V HN 1.047 nan 8.190 nan 0.000 0.472 309 G N -0.123 108.819 108.800 0.238 0.000 2.646 309 G HA2 0.481 4.440 3.960 -0.002 0.000 0.291 309 G HA3 0.481 4.440 3.960 -0.002 0.000 0.291 309 G C -1.053 174.005 174.900 0.264 0.000 1.445 309 G CA 0.452 45.687 45.100 0.225 0.000 0.814 309 G HN 0.120 nan 8.290 nan 0.000 0.495 310 D N -1.321 119.259 120.400 0.299 0.000 2.539 310 D HA 0.177 4.816 4.640 -0.002 0.000 0.232 310 D C 0.144 176.572 176.300 0.214 0.000 1.256 310 D CA 0.142 54.298 54.000 0.261 0.000 0.810 310 D CB 1.331 42.304 40.800 0.289 0.000 1.090 310 D HN 0.323 nan 8.370 nan 0.000 0.519 311 D N -0.168 120.347 120.400 0.193 0.000 2.119 311 D HA 0.282 4.921 4.640 -0.002 0.000 0.311 311 D C -0.389 176.049 176.300 0.229 0.000 1.155 311 D CA 0.335 54.463 54.000 0.213 0.000 1.036 311 D CB 1.093 42.003 40.800 0.184 0.000 1.855 311 D HN 0.103 nan 8.370 nan 0.000 0.523 312 I N 1.201 121.850 120.570 0.131 0.000 2.533 312 I HA 0.690 4.859 4.170 -0.002 0.000 0.290 312 I C -1.079 175.081 176.117 0.071 0.000 1.056 312 I CA -0.958 60.411 61.300 0.116 0.000 1.057 312 I CB 2.279 40.295 38.000 0.027 0.000 1.240 312 I HN 0.066 nan 8.210 nan 0.000 0.423 313 A N 5.841 128.768 122.820 0.178 0.000 2.359 313 A HA 0.733 5.052 4.320 -0.002 0.000 0.303 313 A C -1.894 175.939 177.584 0.415 0.000 1.066 313 A CA -0.400 51.746 52.037 0.182 0.000 0.730 313 A CB 0.887 19.991 19.000 0.172 0.000 1.211 313 A HN 0.586 nan 8.150 nan 0.000 0.439 314 W N 2.060 123.452 121.300 0.153 0.000 2.391 314 W HA 0.662 5.321 4.660 -0.001 0.000 0.311 314 W C -0.293 176.300 176.519 0.124 0.000 1.087 314 W CA -1.219 56.272 57.345 0.243 0.000 1.209 314 W CB 0.972 30.573 29.460 0.235 0.000 1.273 314 W HN 0.497 nan 8.180 nan 0.000 0.482 315 M N 4.044 123.864 119.600 0.367 0.000 2.142 315 M HA 0.344 4.823 4.480 -0.002 0.000 0.299 315 M C -0.168 176.136 176.300 0.006 0.000 0.960 315 M CA -0.480 54.878 55.300 0.098 0.000 0.920 315 M CB 2.229 34.832 32.600 0.005 0.000 1.541 315 M HN 0.202 nan 8.290 nan 0.000 0.429 316 K N 3.285 123.614 120.400 -0.119 0.000 2.422 316 K HA 0.565 4.884 4.320 -0.002 0.000 0.251 316 K C -1.426 175.033 176.600 -0.235 0.000 0.933 316 K CA -0.533 55.637 56.287 -0.195 0.000 0.798 316 K CB 1.886 34.238 32.500 -0.247 0.000 1.238 316 K HN 0.548 nan 8.250 nan 0.000 0.428 317 F N 2.910 122.750 119.950 -0.182 0.000 2.563 317 F HA -0.061 4.465 4.527 -0.002 0.000 0.363 317 F C 1.470 177.199 175.800 -0.118 0.000 1.123 317 F CA -0.039 57.822 58.000 -0.232 0.000 1.307 317 F CB 0.532 39.171 39.000 -0.601 0.000 1.115 317 F HN 0.656 nan 8.300 nan 0.000 0.592 318 D N 2.084 122.581 120.400 0.161 0.000 2.511 318 D HA 0.286 4.925 4.640 -0.002 0.000 0.276 318 D C 0.884 177.218 176.300 0.056 0.000 1.220 318 D CA -0.303 53.745 54.000 0.079 0.000 1.077 318 D CB 0.214 41.062 40.800 0.079 0.000 1.126 318 D HN 0.450 nan 8.370 nan 0.000 0.583 319 A N -0.942 121.888 122.820 0.018 0.000 2.019 319 A HA -0.179 4.140 4.320 -0.002 0.000 0.219 319 A C 1.845 179.392 177.584 -0.062 0.000 1.164 319 A CA 1.432 53.466 52.037 -0.006 0.000 0.644 319 A CB -0.617 18.376 19.000 -0.012 0.000 0.805 319 A HN 0.450 nan 8.150 nan 0.000 0.449 320 Q N -1.796 117.922 119.800 -0.136 0.000 2.319 320 Q HA 0.359 4.698 4.340 -0.002 0.000 0.202 320 Q C 1.037 176.805 176.000 -0.388 0.000 0.896 320 Q CA 0.743 56.381 55.803 -0.274 0.000 0.942 320 Q CB 0.501 29.017 28.738 -0.370 0.000 1.083 320 Q HN 0.874 nan 8.270 nan 0.000 0.510 321 G N -0.066 108.571 108.800 -0.273 0.000 2.141 321 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.231 321 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.231 321 G C -0.420 174.374 174.900 -0.177 0.000 0.984 321 G CA -0.400 44.508 45.100 -0.319 0.000 0.660 321 G HN 0.350 nan 8.290 nan 0.000 0.525 322 H N -0.398 118.714 119.070 0.071 0.000 2.690 322 H HA 0.361 4.916 4.556 -0.002 0.000 0.314 322 H C 0.644 176.145 175.328 0.288 0.000 1.069 322 H CA -0.640 55.493 56.048 0.141 0.000 1.436 322 H CB 1.400 31.207 29.762 0.075 0.000 1.462 322 H HN 0.246 nan 8.280 nan 0.000 0.511 323 L N 5.675 127.170 121.223 0.452 0.000 2.536 323 L HA 0.071 4.410 4.340 -0.002 0.000 0.282 323 L C 0.114 177.012 176.870 0.047 0.000 1.147 323 L CA -0.171 54.746 54.840 0.129 0.000 0.936 323 L CB -0.283 41.770 42.059 -0.011 0.000 1.279 323 L HN 0.310 nan 8.230 nan 0.000 0.461 324 R N 4.331 124.841 120.500 0.017 0.000 2.390 324 R HA 0.649 4.988 4.340 -0.002 0.000 0.291 324 R C -0.286 175.987 176.300 -0.044 0.000 1.070 324 R CA -0.172 55.918 56.100 -0.017 0.000 1.014 324 R CB 0.914 31.205 30.300 -0.016 0.000 1.007 324 R HN 0.653 nan 8.270 nan 0.000 0.466 325 A N 3.743 126.532 122.820 -0.052 0.000 2.355 325 A HA 0.750 5.069 4.320 -0.002 0.000 0.324 325 A C 0.003 177.557 177.584 -0.051 0.000 1.117 325 A CA -0.869 51.159 52.037 -0.014 0.000 0.785 325 A CB 0.988 19.997 19.000 0.014 0.000 1.254 325 A HN 0.803 nan 8.150 nan 0.000 0.453 326 I N -1.029 119.528 120.570 -0.021 0.000 3.067 326 I HA 0.656 4.825 4.170 -0.002 0.000 0.312 326 I C -0.628 175.439 176.117 -0.084 0.000 1.073 326 I CA -1.070 60.184 61.300 -0.076 0.000 1.016 326 I CB 2.234 40.166 38.000 -0.113 0.000 1.227 326 I HN 0.507 nan 8.210 nan 0.000 0.456 327 N N 3.995 122.637 118.700 -0.097 0.000 2.462 327 N HA 0.402 5.141 4.740 -0.002 0.000 0.242 327 N C -1.856 173.489 175.510 -0.274 0.000 1.010 327 N CA -2.646 50.336 53.050 -0.113 0.000 0.939 327 N CB 1.011 39.528 38.487 0.050 0.000 1.127 327 N HN 0.406 nan 8.380 nan 0.000 0.509 328 P HA -0.064 nan 4.420 nan 0.000 0.239 328 P C -0.625 176.391 177.300 -0.473 0.000 1.184 328 P CA 0.898 63.517 63.100 -0.801 0.000 0.760 328 P CB 0.361 31.068 31.700 -1.655 0.000 0.884 329 E N -0.375 119.651 120.200 -0.289 0.000 2.232 329 E HA 0.188 4.537 4.350 -0.002 0.000 0.264 329 E C 0.312 176.859 176.600 -0.087 0.000 0.973 329 E CA -0.673 55.609 56.400 -0.197 0.000 0.849 329 E CB 0.717 30.307 29.700 -0.183 0.000 1.198 329 E HN -0.187 nan 8.360 nan 0.000 0.407 330 N N -0.377 118.272 118.700 -0.085 0.000 2.322 330 N HA 0.110 4.849 4.740 -0.002 0.000 0.181 330 N C -0.146 175.300 175.510 -0.106 0.000 1.088 330 N CA 0.376 53.440 53.050 0.023 0.000 0.885 330 N CB 0.906 39.391 38.487 -0.004 0.000 1.013 330 N HN 0.524 nan 8.380 nan 0.000 0.472 331 G N -1.553 107.085 108.800 -0.270 0.000 2.870 331 G HA2 0.535 4.494 3.960 -0.002 0.000 0.299 331 G HA3 0.535 4.494 3.960 -0.002 0.000 0.299 331 G C -1.598 172.986 174.900 -0.527 0.000 1.324 331 G CA -0.656 44.181 45.100 -0.438 0.000 0.808 331 G HN 0.012 nan 8.290 nan 0.000 0.535 332 F N -0.507 119.458 119.950 0.024 0.000 2.495 332 F HA 0.599 5.125 4.527 -0.001 0.000 0.327 332 F C -0.643 175.206 175.800 0.081 0.000 1.103 332 F CA -0.593 57.447 58.000 0.066 0.000 0.949 332 F CB 2.601 41.676 39.000 0.126 0.000 1.142 332 F HN 0.278 nan 8.300 nan 0.000 0.457 333 F N 2.526 122.479 119.950 0.005 0.000 2.542 333 F HA 0.563 5.089 4.527 -0.001 0.000 0.323 333 F C 0.281 175.851 175.800 -0.383 0.000 1.411 333 F CA -0.788 57.092 58.000 -0.201 0.000 1.124 333 F CB 0.065 38.972 39.000 -0.155 0.000 1.331 333 F HN 0.447 nan 8.300 nan 0.000 0.560 334 G N 0.955 109.176 108.800 -0.966 0.000 2.476 334 G HA2 0.433 4.392 3.960 -0.002 0.000 0.286 334 G HA3 0.433 4.392 3.960 -0.002 0.000 0.286 334 G C -0.788 173.401 174.900 -1.186 0.000 1.177 334 G CA -0.596 43.893 45.100 -1.018 0.000 0.870 334 G HN 0.130 nan 8.290 nan 0.000 0.528 335 V N 2.213 121.772 119.914 -0.592 0.000 2.403 335 V HA 0.213 4.332 4.120 -0.002 0.000 0.265 335 V C 1.580 177.413 176.094 -0.435 0.000 1.034 335 V CA 0.393 62.424 62.300 -0.448 0.000 1.036 335 V CB 0.058 31.741 31.823 -0.233 0.000 1.032 335 V HN 0.983 nan 8.190 nan 0.000 0.478 336 A N 8.233 130.730 122.820 -0.539 0.000 1.851 336 A HA -0.006 4.313 4.320 -0.002 0.000 0.216 336 A C -1.019 175.908 177.584 -1.095 0.000 1.195 336 A CA 1.007 52.575 52.037 -0.781 0.000 0.622 336 A CB -1.462 16.904 19.000 -1.056 0.000 0.831 336 A HN 0.700 nan 8.150 nan 0.000 0.444 337 P HA 0.204 nan 4.420 nan 0.000 0.256 337 P C 0.675 177.851 177.300 -0.206 0.000 1.173 337 P CA 1.992 64.850 63.100 -0.404 0.000 0.768 337 P CB 0.067 31.641 31.700 -0.210 0.000 0.758 338 G N 1.883 110.682 108.800 -0.001 0.000 2.184 338 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.206 338 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.206 338 G C 0.148 175.079 174.900 0.052 0.000 0.995 338 G CA -0.290 44.824 45.100 0.025 0.000 0.651 338 G HN 0.517 nan 8.290 nan 0.000 0.511 339 T N 2.358 116.999 114.554 0.144 0.000 2.794 339 T HA 0.594 4.943 4.350 -0.002 0.000 0.304 339 T C 0.512 175.377 174.700 0.275 0.000 0.973 339 T CA 0.538 62.743 62.100 0.175 0.000 0.972 339 T CB 1.088 70.029 68.868 0.122 0.000 0.952 339 T HN 0.994 nan 8.240 nan 0.000 0.509 340 S N 1.732 117.476 115.700 0.075 0.000 2.704 340 S HA 0.480 4.949 4.470 -0.002 0.000 0.305 340 S C 1.392 175.972 174.600 -0.033 0.000 1.107 340 S CA -0.947 57.256 58.200 0.005 0.000 0.993 340 S CB 1.115 64.293 63.200 -0.038 0.000 1.110 340 S HN 0.218 nan 8.310 nan 0.000 0.534 341 V N 1.246 121.130 119.914 -0.050 0.000 2.626 341 V HA -0.113 4.006 4.120 -0.002 0.000 0.252 341 V C 2.459 178.518 176.094 -0.057 0.000 1.067 341 V CA 1.626 63.896 62.300 -0.051 0.000 1.081 341 V CB -1.171 30.623 31.823 -0.048 0.000 0.686 341 V HN 0.814 nan 8.190 nan 0.000 0.468 342 K N 0.834 121.196 120.400 -0.063 0.000 1.980 342 K HA -0.140 4.179 4.320 -0.002 0.000 0.208 342 K C 2.477 179.012 176.600 -0.109 0.000 1.043 342 K CA 2.018 58.261 56.287 -0.074 0.000 0.938 342 K CB -0.597 31.861 32.500 -0.070 0.000 0.724 342 K HN 0.658 nan 8.250 nan 0.000 0.438 343 T N -0.903 113.564 114.554 -0.145 0.000 2.867 343 T HA -0.094 4.255 4.350 -0.002 0.000 0.268 343 T C 0.975 175.570 174.700 -0.174 0.000 1.057 343 T CA 0.934 62.893 62.100 -0.236 0.000 1.136 343 T CB 0.021 68.725 68.868 -0.273 0.000 0.874 343 T HN -0.029 nan 8.240 nan 0.000 0.466 344 N N 1.253 119.885 118.700 -0.113 0.000 2.707 344 N HA 0.324 5.063 4.740 -0.002 0.000 0.249 344 N C -2.691 172.766 175.510 -0.089 0.000 1.299 344 N CA -1.785 51.206 53.050 -0.098 0.000 0.769 344 N CB 1.896 40.327 38.487 -0.094 0.000 1.236 344 N HN -0.008 nan 8.380 nan 0.000 0.524 345 P HA -0.068 nan 4.420 nan 0.000 0.215 345 P C 0.998 178.253 177.300 -0.075 0.000 1.157 345 P CA 1.251 64.312 63.100 -0.065 0.000 0.874 345 P CB 0.514 32.184 31.700 -0.050 0.000 0.790 346 N N -0.754 117.893 118.700 -0.088 0.000 2.300 346 N HA -0.039 4.700 4.740 -0.002 0.000 0.179 346 N C 1.737 177.153 175.510 -0.156 0.000 1.016 346 N CA 1.190 54.178 53.050 -0.103 0.000 0.876 346 N CB -0.569 37.859 38.487 -0.098 0.000 0.979 346 N HN 0.050 nan 8.380 nan 0.000 0.432 347 A N 2.095 124.799 122.820 -0.194 0.000 1.908 347 A HA -0.120 4.199 4.320 -0.002 0.000 0.218 347 A C 2.108 179.524 177.584 -0.280 0.000 1.181 347 A CA 0.997 52.860 52.037 -0.290 0.000 0.627 347 A CB -0.419 18.417 19.000 -0.274 0.000 0.818 347 A HN 0.104 nan 8.150 nan 0.000 0.445 348 I N -0.385 120.085 120.570 -0.166 0.000 2.226 348 I HA -0.202 3.967 4.170 -0.002 0.000 0.245 348 I C 2.247 178.311 176.117 -0.087 0.000 1.100 348 I CA 1.732 62.970 61.300 -0.105 0.000 1.374 348 I CB -1.378 36.590 38.000 -0.054 0.000 1.057 348 I HN 0.303 nan 8.210 nan 0.000 0.413 349 K N 0.487 120.839 120.400 -0.080 0.000 2.097 349 K HA -0.111 4.209 4.320 -0.002 0.000 0.206 349 K C 2.069 178.632 176.600 -0.062 0.000 1.049 349 K CA 1.761 58.016 56.287 -0.052 0.000 0.933 349 K CB -0.169 32.305 32.500 -0.043 0.000 0.717 349 K HN 0.291 nan 8.250 nan 0.000 0.442 350 T N 1.540 116.030 114.554 -0.107 0.000 2.867 350 T HA -0.060 4.289 4.350 -0.002 0.000 0.268 350 T C 1.527 176.167 174.700 -0.100 0.000 1.057 350 T CA 1.133 63.175 62.100 -0.095 0.000 1.136 350 T CB -0.201 68.592 68.868 -0.125 0.000 0.874 350 T HN 0.379 nan 8.240 nan 0.000 0.466 351 I N -0.828 119.642 120.570 -0.166 0.000 3.752 351 I HA 0.222 4.391 4.170 -0.002 0.000 0.313 351 I C 1.400 177.463 176.117 -0.090 0.000 1.304 351 I CA 0.044 61.240 61.300 -0.173 0.000 1.171 351 I CB -0.168 37.668 38.000 -0.274 0.000 1.038 351 I HN -0.019 nan 8.210 nan 0.000 0.427 352 Q N 2.461 122.231 119.800 -0.050 0.000 2.402 352 Q HA 0.176 4.515 4.340 -0.002 0.000 0.206 352 Q C 0.064 176.108 176.000 0.074 0.000 0.919 352 Q CA 0.617 56.424 55.803 0.006 0.000 0.923 352 Q CB 0.471 29.259 28.738 0.083 0.000 1.048 352 Q HN 0.728 nan 8.270 nan 0.000 0.515 353 K N 0.059 120.488 120.400 0.048 0.000 2.482 353 K HA 0.367 4.686 4.320 -0.002 0.000 0.257 353 K C -0.357 176.286 176.600 0.071 0.000 0.969 353 K CA -0.989 55.348 56.287 0.083 0.000 0.842 353 K CB 1.027 33.574 32.500 0.078 0.000 1.359 353 K HN -0.235 nan 8.250 nan 0.000 0.441 354 N N 0.544 119.315 118.700 0.118 0.000 2.698 354 N HA -0.156 4.583 4.740 -0.002 0.000 0.258 354 N C -1.148 174.407 175.510 0.074 0.000 0.978 354 N CA 1.259 54.386 53.050 0.128 0.000 0.777 354 N CB -1.081 37.460 38.487 0.089 0.000 0.907 354 N HN 0.679 nan 8.380 nan 0.000 0.543 355 T N 0.757 115.351 114.554 0.066 0.000 2.876 355 T HA 0.639 4.989 4.350 -0.002 0.000 0.289 355 T C 0.550 175.191 174.700 -0.098 0.000 1.014 355 T CA -0.494 61.538 62.100 -0.113 0.000 0.986 355 T CB 1.908 70.575 68.868 -0.336 0.000 1.021 355 T HN 0.082 nan 8.240 nan 0.000 0.458 356 I N 3.441 123.910 120.570 -0.167 0.000 2.355 356 I HA 0.433 4.602 4.170 -0.002 0.000 0.288 356 I C -0.865 175.166 176.117 -0.142 0.000 0.999 356 I CA -0.649 60.640 61.300 -0.018 0.000 1.163 356 I CB 0.818 38.830 38.000 0.021 0.000 1.316 356 I HN 0.491 nan 8.210 nan 0.000 0.454 357 F N 3.459 123.525 119.950 0.194 0.000 2.425 357 F HA 0.552 5.078 4.527 -0.001 0.000 0.331 357 F C 0.570 176.457 175.800 0.146 0.000 1.085 357 F CA -0.484 57.603 58.000 0.144 0.000 1.028 357 F CB 1.782 40.888 39.000 0.176 0.000 1.177 357 F HN 0.232 nan 8.300 nan 0.000 0.487 358 T N 1.973 116.672 114.554 0.242 0.000 2.881 358 T HA 0.272 4.621 4.350 -0.002 0.000 0.290 358 T C -0.508 174.247 174.700 0.093 0.000 1.000 358 T CA -0.856 61.333 62.100 0.149 0.000 0.978 358 T CB 1.093 70.008 68.868 0.078 0.000 0.997 358 T HN 0.597 nan 8.240 nan 0.000 0.443 359 N N 0.271 119.031 118.700 0.100 0.000 2.776 359 N HA -0.135 4.604 4.740 -0.002 0.000 0.250 359 N C -0.053 175.527 175.510 0.117 0.000 1.112 359 N CA 1.105 54.216 53.050 0.102 0.000 0.733 359 N CB -1.718 36.693 38.487 -0.127 0.000 1.097 359 N HN 0.683 nan 8.380 nan 0.000 0.558 360 V N -3.511 116.514 119.914 0.185 0.000 3.096 360 V HA 0.962 5.081 4.120 -0.002 0.000 0.319 360 V C 0.844 177.061 176.094 0.205 0.000 1.082 360 V CA -0.607 61.820 62.300 0.210 0.000 1.022 360 V CB 1.832 33.833 31.823 0.297 0.000 1.103 360 V HN 0.252 nan 8.190 nan 0.000 0.455 361 A N 0.865 123.787 122.820 0.170 0.000 2.322 361 A HA 0.652 4.971 4.320 -0.002 0.000 0.269 361 A C 0.002 177.628 177.584 0.069 0.000 1.094 361 A CA -0.377 51.708 52.037 0.080 0.000 0.807 361 A CB 0.534 19.516 19.000 -0.029 0.000 1.047 361 A HN 1.067 nan 8.150 nan 0.000 0.487 362 E N 0.802 121.024 120.200 0.037 0.000 2.241 362 E HA 0.417 4.766 4.350 -0.002 0.000 0.263 362 E C -0.201 176.389 176.600 -0.017 0.000 0.882 362 E CA -0.534 55.878 56.400 0.020 0.000 0.769 362 E CB 1.181 30.904 29.700 0.038 0.000 1.185 362 E HN 0.812 nan 8.360 nan 0.000 0.415 363 T N 0.955 115.483 114.554 -0.043 0.000 2.860 363 T HA 0.040 4.389 4.350 -0.002 0.000 0.299 363 T C 1.405 176.068 174.700 -0.063 0.000 1.045 363 T CA 0.081 62.130 62.100 -0.085 0.000 1.071 363 T CB 1.380 70.183 68.868 -0.109 0.000 0.985 363 T HN 0.460 nan 8.240 nan 0.000 0.537 364 S N 0.185 115.845 115.700 -0.066 0.000 2.447 364 S HA -0.128 4.341 4.470 -0.002 0.000 0.233 364 S C 1.043 175.607 174.600 -0.061 0.000 1.006 364 S CA 0.883 59.052 58.200 -0.052 0.000 0.957 364 S CB -0.784 62.387 63.200 -0.048 0.000 0.773 364 S HN 0.921 nan 8.310 nan 0.000 0.507 365 D N 0.267 120.620 120.400 -0.079 0.000 2.336 365 D HA 0.368 5.007 4.640 -0.002 0.000 0.228 365 D C 1.162 177.391 176.300 -0.118 0.000 1.120 365 D CA 0.308 54.251 54.000 -0.094 0.000 0.839 365 D CB -0.642 40.096 40.800 -0.103 0.000 0.932 365 D HN 0.496 nan 8.370 nan 0.000 0.509 366 G N -1.011 107.733 108.800 -0.093 0.000 2.182 366 G HA2 -0.086 3.873 3.960 -0.002 0.000 0.248 366 G HA3 -0.086 3.873 3.960 -0.002 0.000 0.248 366 G C 0.496 175.335 174.900 -0.102 0.000 1.042 366 G CA -0.159 44.891 45.100 -0.084 0.000 0.775 366 G HN 0.799 nan 8.290 nan 0.000 0.501 367 G N -1.686 107.053 108.800 -0.100 0.000 2.753 367 G HA2 0.922 4.881 3.960 -0.002 0.000 0.285 367 G HA3 0.922 4.881 3.960 -0.002 0.000 0.285 367 G C 0.099 175.037 174.900 0.064 0.000 1.344 367 G CA 0.083 45.161 45.100 -0.036 0.000 1.050 367 G HN 1.520 nan 8.290 nan 0.000 0.532 368 V N -2.815 117.135 119.914 0.059 0.000 2.769 368 V HA 0.819 4.938 4.120 -0.002 0.000 0.312 368 V C -1.183 174.729 176.094 -0.303 0.000 1.058 368 V CA -1.165 61.038 62.300 -0.161 0.000 0.952 368 V CB 1.464 33.029 31.823 -0.429 0.000 1.019 368 V HN 0.665 nan 8.190 nan 0.000 0.445 369 Y N 3.022 123.083 120.300 -0.398 0.000 2.534 369 Y HA 0.824 5.373 4.550 -0.002 0.000 0.345 369 Y C -1.177 174.589 175.900 -0.223 0.000 1.031 369 Y CA -0.738 57.063 58.100 -0.497 0.000 1.022 369 Y CB 2.316 40.608 38.460 -0.281 0.000 1.292 369 Y HN 1.087 nan 8.280 nan 0.000 0.459 370 W N 1.183 122.303 121.300 -0.300 0.000 3.057 370 W HA 0.585 5.244 4.660 -0.001 0.000 0.328 370 W C -1.599 174.779 176.519 -0.234 0.000 1.232 370 W CA -1.118 56.104 57.345 -0.205 0.000 1.187 370 W CB 0.117 29.487 29.460 -0.150 0.000 1.417 370 W HN 0.350 nan 8.180 nan 0.000 0.569 371 E N 0.908 121.205 120.200 0.161 0.000 2.481 371 E HA 0.381 4.730 4.350 -0.002 0.000 0.263 371 E C 1.234 177.921 176.600 0.145 0.000 0.992 371 E CA 2.234 58.697 56.400 0.105 0.000 0.938 371 E CB 0.233 29.981 29.700 0.080 0.000 0.933 371 E HN 1.225 nan 8.360 nan 0.000 0.453 372 G N 2.715 111.550 108.800 0.059 0.000 2.168 372 G HA2 -0.337 3.622 3.960 -0.002 0.000 0.257 372 G HA3 -0.337 3.622 3.960 -0.002 0.000 0.257 372 G C 0.779 175.702 174.900 0.040 0.000 0.997 372 G CA 0.498 45.626 45.100 0.047 0.000 0.708 372 G HN 0.629 nan 8.290 nan 0.000 0.520 373 I N 0.024 120.533 120.570 -0.102 0.000 3.111 373 I HA 0.079 4.248 4.170 -0.002 0.000 0.272 373 I C 1.204 177.173 176.117 -0.246 0.000 1.268 373 I CA 1.029 62.145 61.300 -0.307 0.000 1.467 373 I CB -0.040 37.346 38.000 -1.025 0.000 1.087 373 I HN 0.256 nan 8.210 nan 0.000 0.467 374 D N 2.907 123.205 120.400 -0.169 0.000 2.802 374 D HA -0.289 4.350 4.640 -0.002 0.000 0.229 374 D C -0.116 176.117 176.300 -0.112 0.000 1.203 374 D CA 0.994 54.933 54.000 -0.101 0.000 0.712 374 D CB -0.742 40.020 40.800 -0.063 0.000 0.973 374 D HN 0.657 nan 8.370 nan 0.000 0.407 375 E N 0.684 120.806 120.200 -0.130 0.000 2.646 375 E HA 0.254 4.603 4.350 -0.002 0.000 0.336 375 E C -2.565 174.052 176.600 0.027 0.000 1.027 375 E CA -1.601 54.751 56.400 -0.081 0.000 0.765 375 E CB 0.952 30.564 29.700 -0.147 0.000 1.545 375 E HN 0.066 nan 8.360 nan 0.000 0.382 376 P HA 0.019 nan 4.420 nan 0.000 0.263 376 P C -0.783 176.559 177.300 0.070 0.000 1.195 376 P CA -0.173 62.975 63.100 0.081 0.000 0.762 376 P CB 0.182 31.904 31.700 0.036 0.000 0.799 377 L N 1.437 122.705 121.223 0.076 0.000 2.439 377 L HA 0.751 5.090 4.340 -0.002 0.000 0.259 377 L C 0.617 177.474 176.870 -0.021 0.000 1.129 377 L CA -1.448 53.398 54.840 0.010 0.000 0.803 377 L CB -0.915 41.106 42.059 -0.063 0.000 1.161 377 L HN 0.334 nan 8.230 nan 0.000 0.462 378 A N 0.762 123.562 122.820 -0.035 0.000 2.433 378 A HA 0.455 4.774 4.320 -0.002 0.000 0.250 378 A C 0.643 178.203 177.584 -0.041 0.000 1.113 378 A CA 0.254 52.270 52.037 -0.036 0.000 0.794 378 A CB -0.648 18.328 19.000 -0.040 0.000 1.067 378 A HN 1.003 nan 8.150 nan 0.000 0.510 379 S N -0.978 114.701 115.700 -0.035 0.000 2.601 379 S HA 0.540 5.009 4.470 -0.002 0.000 0.271 379 S C 1.112 175.688 174.600 -0.040 0.000 1.305 379 S CA 0.055 58.233 58.200 -0.037 0.000 1.022 379 S CB 1.091 64.273 63.200 -0.030 0.000 0.940 379 S HN 2.503 nan 8.310 nan 0.000 0.525 380 G N 0.066 108.841 108.800 -0.042 0.000 2.205 380 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.261 380 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.261 380 G C -0.015 174.855 174.900 -0.049 0.000 0.980 380 G CA 0.052 45.127 45.100 -0.041 0.000 0.632 380 G HN 1.091 nan 8.290 nan 0.000 0.533 381 V N 2.608 122.486 119.914 -0.060 0.000 2.383 381 V HA 0.653 4.772 4.120 -0.002 0.000 0.275 381 V C 0.789 176.830 176.094 -0.089 0.000 1.036 381 V CA 0.317 62.571 62.300 -0.076 0.000 0.889 381 V CB 1.207 32.977 31.823 -0.089 0.000 0.985 381 V HN 0.634 nan 8.190 nan 0.000 0.459 382 T N 3.188 117.696 114.554 -0.077 0.000 2.949 382 T HA 0.804 5.153 4.350 -0.002 0.000 0.287 382 T C -0.526 174.137 174.700 -0.061 0.000 1.034 382 T CA -0.751 61.313 62.100 -0.060 0.000 1.018 382 T CB 2.078 70.928 68.868 -0.030 0.000 1.135 382 T HN 0.307 nan 8.240 nan 0.000 0.532 383 I N 1.423 121.994 120.570 0.001 0.000 2.418 383 I HA 0.304 4.473 4.170 -0.002 0.000 0.287 383 I C -0.210 175.977 176.117 0.117 0.000 1.008 383 I CA -0.748 60.570 61.300 0.030 0.000 1.104 383 I CB 2.081 40.130 38.000 0.082 0.000 1.264 383 I HN 0.670 nan 8.210 nan 0.000 0.438 384 T N 4.504 119.093 114.554 0.059 0.000 2.771 384 T HA 0.255 4.604 4.350 -0.002 0.000 0.291 384 T C 0.428 175.156 174.700 0.046 0.000 0.954 384 T CA -0.565 61.578 62.100 0.071 0.000 1.045 384 T CB 1.029 69.922 68.868 0.041 0.000 0.917 384 T HN 0.724 nan 8.240 nan 0.000 0.484 385 S N 3.724 119.453 115.700 0.050 0.000 2.634 385 S HA 0.176 4.645 4.470 -0.002 0.000 0.261 385 S C 1.539 176.150 174.600 0.019 0.000 1.271 385 S CA -0.978 57.198 58.200 -0.040 0.000 0.985 385 S CB 0.404 63.557 63.200 -0.077 0.000 0.968 385 S HN 0.914 nan 8.310 nan 0.000 0.568 386 W N 0.600 121.868 121.300 -0.055 0.000 2.525 386 W HA 0.065 4.724 4.660 -0.002 0.000 0.259 386 W C 0.534 177.047 176.519 -0.010 0.000 1.253 386 W CA 0.614 57.948 57.345 -0.018 0.000 1.262 386 W CB -0.861 28.596 29.460 -0.005 0.000 1.122 386 W HN 0.622 nan 8.180 nan 0.000 0.607 387 K N 1.111 121.042 120.400 -0.781 0.000 2.487 387 K HA -0.087 4.232 4.320 -0.002 0.000 0.192 387 K C 0.162 176.592 176.600 -0.283 0.000 1.027 387 K CA 0.448 56.316 56.287 -0.698 0.000 1.054 387 K CB -0.578 31.452 32.500 -0.784 0.000 0.824 387 K HN -0.010 nan 8.250 nan 0.000 0.510 388 N N 1.656 120.264 118.700 -0.154 0.000 2.771 388 N HA -0.143 4.596 4.740 -0.002 0.000 0.249 388 N C -1.517 173.970 175.510 -0.039 0.000 1.069 388 N CA 0.772 53.788 53.050 -0.055 0.000 0.688 388 N CB -0.828 37.637 38.487 -0.038 0.000 0.928 388 N HN 0.248 nan 8.380 nan 0.000 0.551 389 K N -0.256 120.134 120.400 -0.016 0.000 2.509 389 K HA 0.322 4.641 4.320 -0.002 0.000 0.266 389 K C -0.591 176.053 176.600 0.074 0.000 0.987 389 K CA -0.975 55.321 56.287 0.015 0.000 0.868 389 K CB 1.371 33.872 32.500 0.001 0.000 1.421 389 K HN 0.176 nan 8.250 nan 0.000 0.444 390 E N 1.018 121.255 120.200 0.062 0.000 2.452 390 E HA -0.041 4.308 4.350 -0.002 0.000 0.261 390 E C -1.564 175.128 176.600 0.154 0.000 0.987 390 E CA 0.486 56.935 56.400 0.083 0.000 0.926 390 E CB 0.429 30.146 29.700 0.029 0.000 0.934 390 E HN 0.404 nan 8.360 nan 0.000 0.452 391 W N 4.123 125.405 121.300 -0.030 0.000 2.839 391 W HA 0.489 5.148 4.660 -0.001 0.000 0.334 391 W C -1.101 175.402 176.519 -0.027 0.000 1.064 391 W CA -0.610 56.724 57.345 -0.018 0.000 1.236 391 W CB 1.575 31.039 29.460 0.006 0.000 1.405 391 W HN 0.527 nan 8.180 nan 0.000 0.478 392 S N 2.503 117.655 115.700 -0.913 0.000 2.600 392 S HA 0.388 4.857 4.470 -0.002 0.000 0.300 392 S C 1.002 174.599 174.600 -1.672 0.000 1.087 392 S CA 0.027 57.660 58.200 -0.945 0.000 0.965 392 S CB 1.622 64.539 63.200 -0.472 0.000 1.089 392 S HN 0.740 nan 8.310 nan 0.000 0.496 393 S N 1.739 116.802 115.700 -1.061 0.000 2.399 393 S HA -0.106 4.363 4.470 -0.002 0.000 0.231 393 S C 1.281 175.640 174.600 -0.403 0.000 1.022 393 S CA 1.229 59.038 58.200 -0.651 0.000 0.983 393 S CB -0.764 62.326 63.200 -0.184 0.000 0.803 393 S HN 0.807 nan 8.310 nan 0.000 0.480 394 E N 1.847 121.831 120.200 -0.361 0.000 2.153 394 E HA -0.145 4.204 4.350 -0.002 0.000 0.194 394 E C 0.706 177.195 176.600 -0.185 0.000 0.988 394 E CA 1.288 57.560 56.400 -0.213 0.000 0.811 394 E CB -0.381 29.212 29.700 -0.178 0.000 0.746 394 E HN 0.810 nan 8.360 nan 0.000 0.466 395 D N 0.482 120.720 120.400 -0.270 0.000 2.355 395 D HA -0.008 4.631 4.640 -0.002 0.000 0.253 395 D C 0.883 177.156 176.300 -0.044 0.000 1.187 395 D CA 0.559 54.464 54.000 -0.158 0.000 0.900 395 D CB -0.703 39.985 40.800 -0.187 0.000 0.915 395 D HN 0.114 nan 8.370 nan 0.000 0.516 396 G N 2.006 110.788 108.800 -0.029 0.000 2.451 396 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.296 396 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.296 396 G C -0.088 174.890 174.900 0.131 0.000 0.922 396 G CA 1.009 46.140 45.100 0.052 0.000 1.074 396 G HN 0.697 nan 8.290 nan 0.000 0.509 397 E N -1.058 119.293 120.200 0.252 0.000 2.354 397 E HA 0.537 4.886 4.350 -0.002 0.000 0.283 397 E C -3.003 173.909 176.600 0.520 0.000 0.938 397 E CA -2.493 54.101 56.400 0.323 0.000 0.777 397 E CB 1.993 31.865 29.700 0.286 0.000 1.222 397 E HN 0.035 nan 8.360 nan 0.000 0.423 398 P HA -0.091 nan 4.420 nan 0.000 0.264 398 P C 1.172 178.490 177.300 0.030 0.000 1.183 398 P CA -0.106 63.106 63.100 0.187 0.000 0.763 398 P CB 0.538 32.277 31.700 0.065 0.000 0.807 399 C N 1.695 120.659 119.300 -0.559 0.000 2.468 399 C HA 0.389 4.848 4.460 -0.002 0.000 0.277 399 C C 1.129 176.034 174.990 -0.142 0.000 1.400 399 C CA 0.258 58.683 59.018 -0.988 0.000 1.770 399 C CB -1.287 25.406 27.740 -1.744 0.000 1.905 399 C HN 0.622 nan 8.230 nan 0.000 0.519 400 A N 0.448 123.234 122.820 -0.057 0.000 2.342 400 A HA 0.550 4.869 4.320 -0.002 0.000 0.323 400 A C -0.274 177.143 177.584 -0.279 0.000 1.125 400 A CA -0.306 51.716 52.037 -0.024 0.000 0.785 400 A CB 0.094 19.138 19.000 0.073 0.000 1.221 400 A HN 0.597 nan 8.150 nan 0.000 0.463 401 H N 3.043 121.591 119.070 -0.869 0.000 2.928 401 H HA 0.081 4.636 4.556 -0.002 0.000 0.338 401 H C -1.761 173.270 175.328 -0.497 0.000 1.047 401 H CA -0.834 54.598 56.048 -1.025 0.000 1.435 401 H CB 1.192 30.000 29.762 -1.590 0.000 1.428 401 H HN 0.292 nan 8.280 nan 0.000 0.590 402 P HA -0.138 nan 4.420 nan 0.000 0.220 402 P C 0.634 177.793 177.300 -0.235 0.000 1.144 402 P CA 1.542 64.372 63.100 -0.449 0.000 0.800 402 P CB 0.271 31.675 31.700 -0.493 0.000 0.772 403 N N -1.433 117.279 118.700 0.020 0.000 2.234 403 N HA 0.022 4.761 4.740 -0.002 0.000 0.227 403 N C -0.328 175.195 175.510 0.022 0.000 1.151 403 N CA -0.205 52.893 53.050 0.081 0.000 0.865 403 N CB 0.018 38.580 38.487 0.125 0.000 1.066 403 N HN -0.055 nan 8.380 nan 0.000 0.515 404 S N -0.273 115.393 115.700 -0.056 0.000 2.584 404 S HA 0.430 4.899 4.470 -0.002 0.000 0.270 404 S C 0.063 174.518 174.600 -0.242 0.000 1.346 404 S CA -0.414 57.713 58.200 -0.121 0.000 1.018 404 S CB 1.257 64.375 63.200 -0.136 0.000 0.899 404 S HN 0.117 nan 8.310 nan 0.000 0.542 405 R N 0.370 120.711 120.500 -0.266 0.000 2.740 405 R HA 0.471 4.810 4.340 -0.002 0.000 0.273 405 R C -1.302 174.794 176.300 -0.340 0.000 0.998 405 R CA -0.642 55.123 56.100 -0.559 0.000 0.900 405 R CB 1.371 31.077 30.300 -0.990 0.000 1.223 405 R HN 0.803 nan 8.270 nan 0.000 0.466 406 F N -1.194 118.525 119.950 -0.385 0.000 2.480 406 F HA 0.640 5.166 4.527 -0.001 0.000 0.329 406 F C -0.045 175.512 175.800 -0.406 0.000 1.091 406 F CA -1.373 56.370 58.000 -0.429 0.000 0.972 406 F CB 1.250 40.015 39.000 -0.391 0.000 1.150 406 F HN 0.349 nan 8.300 nan 0.000 0.467 407 C N 3.994 123.201 119.300 -0.156 0.000 2.335 407 C HA 0.766 5.225 4.460 -0.002 0.000 0.318 407 C C -0.458 174.542 174.990 0.016 0.000 1.150 407 C CA 0.107 59.145 59.018 0.034 0.000 1.466 407 C CB -0.413 27.429 27.740 0.170 0.000 2.024 407 C HN 1.117 nan 8.230 nan 0.000 0.429 408 T N 6.220 120.841 114.554 0.112 0.000 2.900 408 T HA 0.641 4.990 4.350 -0.002 0.000 0.295 408 T C -3.029 171.716 174.700 0.075 0.000 1.044 408 T CA -1.257 60.886 62.100 0.071 0.000 0.995 408 T CB 1.849 70.763 68.868 0.077 0.000 1.072 408 T HN 0.456 nan 8.240 nan 0.000 0.473 409 P HA 0.198 nan 4.420 nan 0.000 0.263 409 P C 0.099 177.362 177.300 -0.062 0.000 1.195 409 P CA 0.025 63.105 63.100 -0.033 0.000 0.762 409 P CB 0.408 32.105 31.700 -0.004 0.000 0.799 410 A N 3.479 126.104 122.820 -0.325 0.000 2.121 410 A HA -0.123 4.196 4.320 -0.002 0.000 0.218 410 A C 1.945 179.240 177.584 -0.482 0.000 1.154 410 A CA 1.727 53.407 52.037 -0.595 0.000 0.679 410 A CB -1.063 17.166 19.000 -1.285 0.000 0.795 410 A HN 0.555 nan 8.150 nan 0.000 0.458 411 S N -1.040 114.478 115.700 -0.303 0.000 2.527 411 S HA -0.051 4.418 4.470 -0.002 0.000 0.222 411 S C 1.516 176.082 174.600 -0.057 0.000 0.985 411 S CA 0.760 58.868 58.200 -0.154 0.000 0.921 411 S CB -0.207 63.057 63.200 0.106 0.000 0.772 411 S HN 0.679 nan 8.310 nan 0.000 0.529 412 Q N 0.070 119.851 119.800 -0.032 0.000 2.424 412 Q HA 0.221 4.560 4.340 -0.002 0.000 0.204 412 Q C 0.627 176.621 176.000 -0.009 0.000 0.933 412 Q CA -0.057 55.745 55.803 -0.002 0.000 0.929 412 Q CB 0.136 28.881 28.738 0.012 0.000 1.037 412 Q HN 0.652 nan 8.270 nan 0.000 0.511 413 C N 2.345 121.641 119.300 -0.007 0.000 2.651 413 C HA 0.089 4.548 4.460 -0.002 0.000 0.410 413 C C -1.088 173.878 174.990 -0.040 0.000 1.372 413 C CA -1.624 57.380 59.018 -0.022 0.000 1.707 413 C CB 0.437 28.193 27.740 0.027 0.000 2.501 413 C HN 0.308 nan 8.230 nan 0.000 0.598 414 P HA -0.148 nan 4.420 nan 0.000 0.215 414 P C 0.893 178.187 177.300 -0.010 0.000 1.157 414 P CA 1.806 64.894 63.100 -0.019 0.000 0.874 414 P CB -0.140 31.546 31.700 -0.023 0.000 0.790 415 I N -4.271 116.289 120.570 -0.017 0.000 3.826 415 I HA 0.221 4.390 4.170 -0.002 0.000 0.319 415 I C 0.360 176.486 176.117 0.015 0.000 1.394 415 I CA -0.626 60.677 61.300 0.006 0.000 1.197 415 I CB -0.716 37.289 38.000 0.008 0.000 1.096 415 I HN -0.235 nan 8.210 nan 0.000 0.409 416 I N 2.829 123.387 120.570 -0.020 0.000 2.587 416 I HA 0.036 4.205 4.170 -0.002 0.000 0.284 416 I C 0.899 177.052 176.117 0.059 0.000 1.134 416 I CA 0.256 61.513 61.300 -0.071 0.000 1.410 416 I CB -0.118 37.700 38.000 -0.303 0.000 1.392 416 I HN 0.283 nan 8.210 nan 0.000 0.545 417 D N 5.441 125.934 120.400 0.155 0.000 2.461 417 D HA -0.101 4.538 4.640 -0.002 0.000 0.231 417 D C 0.965 177.460 176.300 0.325 0.000 1.208 417 D CA 0.776 54.934 54.000 0.264 0.000 0.879 417 D CB 1.140 42.161 40.800 0.368 0.000 1.220 417 D HN 0.704 nan 8.370 nan 0.000 0.480 418 A N 2.709 125.682 122.820 0.256 0.000 1.902 418 A HA 0.001 4.320 4.320 -0.002 0.000 0.217 418 A C 1.643 179.347 177.584 0.202 0.000 1.181 418 A CA 2.021 54.184 52.037 0.210 0.000 0.623 418 A CB -0.188 18.902 19.000 0.150 0.000 0.818 418 A HN 0.561 nan 8.150 nan 0.000 0.443 419 A N -0.802 122.139 122.820 0.201 0.000 2.574 419 A HA 0.322 4.641 4.320 -0.002 0.000 0.283 419 A C 1.327 178.924 177.584 0.021 0.000 1.270 419 A CA 0.204 52.280 52.037 0.066 0.000 0.945 419 A CB -0.784 18.241 19.000 0.040 0.000 1.127 419 A HN 0.910 nan 8.150 nan 0.000 0.522 420 W N 0.169 121.484 121.300 0.025 0.000 2.387 420 W HA -0.066 4.593 4.660 -0.001 0.000 0.272 420 W C 0.376 176.869 176.519 -0.043 0.000 1.224 420 W CA 1.374 58.720 57.345 0.002 0.000 1.210 420 W CB -0.216 29.264 29.460 0.034 0.000 1.125 420 W HN 0.514 nan 8.180 nan 0.000 0.572 421 E N 0.954 120.529 120.200 -1.042 0.000 2.734 421 E HA 0.124 4.473 4.350 -0.002 0.000 0.211 421 E C -0.473 175.821 176.600 -0.510 0.000 0.991 421 E CA -0.086 55.677 56.400 -1.061 0.000 1.065 421 E CB 0.366 29.147 29.700 -1.531 0.000 1.047 421 E HN -0.143 nan 8.360 nan 0.000 0.470 422 S N 1.706 117.211 115.700 -0.325 0.000 2.475 422 S HA 0.182 4.651 4.470 -0.002 0.000 0.281 422 S C -1.899 172.598 174.600 -0.171 0.000 1.198 422 S CA -1.346 56.734 58.200 -0.200 0.000 1.063 422 S CB 1.428 64.553 63.200 -0.124 0.000 0.972 422 S HN 0.170 nan 8.310 nan 0.000 0.486 423 P HA -0.160 nan 4.420 nan 0.000 0.218 423 P C 1.383 178.620 177.300 -0.104 0.000 1.148 423 P CA 0.842 63.866 63.100 -0.127 0.000 0.822 423 P CB 0.110 31.748 31.700 -0.103 0.000 0.784 424 E N -0.104 120.044 120.200 -0.087 0.000 2.265 424 E HA -0.007 4.342 4.350 -0.002 0.000 0.196 424 E C 1.153 177.706 176.600 -0.077 0.000 0.996 424 E CA 1.039 57.399 56.400 -0.067 0.000 0.832 424 E CB -1.090 28.583 29.700 -0.045 0.000 0.756 424 E HN 0.196 nan 8.360 nan 0.000 0.491 425 G N 0.840 109.577 108.800 -0.106 0.000 2.755 425 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.686 425 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.686 425 G C -0.121 174.683 174.900 -0.160 0.000 1.427 425 G CA -0.191 44.835 45.100 -0.124 0.000 0.873 425 G HN 0.717 nan 8.290 nan 0.000 0.580 426 V N -0.708 119.051 119.914 -0.259 0.000 2.539 426 V HA 0.818 4.937 4.120 -0.002 0.000 0.292 426 V C -2.078 173.824 176.094 -0.319 0.000 1.045 426 V CA -2.289 59.728 62.300 -0.471 0.000 0.945 426 V CB 1.936 33.083 31.823 -1.127 0.000 0.993 426 V HN 0.691 nan 8.190 nan 0.000 0.464 427 P HA 0.289 nan 4.420 nan 0.000 0.268 427 P C -0.244 177.088 177.300 0.054 0.000 1.282 427 P CA 0.044 63.114 63.100 -0.049 0.000 0.880 427 P CB -0.039 31.618 31.700 -0.072 0.000 0.971 428 I N 4.553 125.156 120.570 0.056 0.000 2.496 428 I HA 0.039 4.208 4.170 -0.002 0.000 0.285 428 I C 1.229 177.420 176.117 0.122 0.000 1.080 428 I CA 0.359 61.730 61.300 0.118 0.000 1.404 428 I CB 0.537 38.594 38.000 0.095 0.000 1.403 428 I HN 0.491 nan 8.210 nan 0.000 0.539 429 E N 4.902 125.175 120.200 0.122 0.000 3.729 429 E HA 0.507 4.856 4.350 -0.002 0.000 0.195 429 E C 0.025 176.669 176.600 0.075 0.000 1.005 429 E CA -0.600 55.854 56.400 0.089 0.000 1.356 429 E CB 0.884 30.609 29.700 0.042 0.000 1.138 429 E HN 0.730 nan 8.360 nan 0.000 0.450 430 G N 1.422 110.272 108.800 0.082 0.000 2.289 430 G HA2 0.328 4.287 3.960 -0.002 0.000 0.315 430 G HA3 0.328 4.287 3.960 -0.002 0.000 0.315 430 G C -1.209 173.704 174.900 0.022 0.000 1.587 430 G CA -0.818 44.304 45.100 0.037 0.000 0.949 430 G HN 0.165 nan 8.290 nan 0.000 0.626 431 I N 3.292 123.813 120.570 -0.082 0.000 2.359 431 I HA 0.368 4.537 4.170 -0.002 0.000 0.284 431 I C -0.089 175.803 176.117 -0.376 0.000 1.018 431 I CA -0.668 60.512 61.300 -0.201 0.000 1.173 431 I CB 1.479 39.378 38.000 -0.169 0.000 1.326 431 I HN 0.285 nan 8.210 nan 0.000 0.462 432 I N 6.668 127.035 120.570 -0.338 0.000 2.291 432 I HA 0.288 4.457 4.170 -0.002 0.000 0.290 432 I C 0.026 175.826 176.117 -0.529 0.000 1.050 432 I CA -0.118 61.028 61.300 -0.256 0.000 1.245 432 I CB 0.301 38.272 38.000 -0.048 0.000 1.405 432 I HN 0.430 nan 8.210 nan 0.000 0.478 433 F N 3.462 123.268 119.950 -0.241 0.000 2.415 433 F HA 0.739 5.265 4.527 -0.002 0.000 0.220 433 F C 1.577 177.081 175.800 -0.493 0.000 0.876 433 F CA 0.618 58.403 58.000 -0.357 0.000 1.067 433 F CB -0.179 38.632 39.000 -0.316 0.000 2.152 433 F HN 0.538 nan 8.300 nan 0.000 0.651 434 G N -0.687 107.865 108.800 -0.414 0.000 2.451 434 G HA2 0.381 4.340 3.960 -0.002 0.000 0.208 434 G HA3 0.381 4.340 3.960 -0.002 0.000 0.208 434 G C -0.320 174.531 174.900 -0.083 0.000 1.248 434 G CA -0.298 44.236 45.100 -0.943 0.000 0.989 434 G HN 1.599 nan 8.290 nan 0.000 0.559 435 G N -1.085 107.721 108.800 0.010 0.000 2.512 435 G HA2 0.633 4.592 3.960 -0.002 0.000 0.181 435 G HA3 0.633 4.592 3.960 -0.002 0.000 0.181 435 G C -0.825 174.115 174.900 0.068 0.000 1.173 435 G CA 0.568 45.743 45.100 0.126 0.000 0.988 435 G HN 1.434 nan 8.290 nan 0.000 0.485 436 R N 0.840 121.409 120.500 0.115 0.000 2.371 436 R HA 0.625 4.964 4.340 -0.002 0.000 0.312 436 R C -1.084 175.281 176.300 0.108 0.000 0.980 436 R CA -0.737 55.464 56.100 0.168 0.000 0.867 436 R CB 0.818 31.176 30.300 0.097 0.000 1.163 436 R HN 0.320 nan 8.270 nan 0.000 0.492 437 R N 5.301 125.869 120.500 0.114 0.000 2.393 437 R HA 0.283 4.622 4.340 -0.002 0.000 0.315 437 R C -1.910 174.450 176.300 0.099 0.000 0.952 437 R CA -2.717 53.441 56.100 0.098 0.000 0.842 437 R CB 1.614 31.981 30.300 0.112 0.000 1.163 437 R HN 0.487 nan 8.270 nan 0.000 0.450 438 P HA -0.192 nan 4.420 nan 0.000 0.215 438 P C -0.009 177.331 177.300 0.067 0.000 1.163 438 P CA 1.552 64.727 63.100 0.126 0.000 0.894 438 P CB 0.477 32.234 31.700 0.095 0.000 0.791 439 A N -3.292 119.519 122.820 -0.015 0.000 2.530 439 A HA 0.640 4.959 4.320 -0.002 0.000 0.288 439 A C 1.003 178.220 177.584 -0.611 0.000 1.172 439 A CA 0.043 51.966 52.037 -0.190 0.000 0.733 439 A CB 0.937 19.848 19.000 -0.148 0.000 1.320 439 A HN 0.313 nan 8.150 nan 0.000 0.419 440 G N -1.351 106.933 108.800 -0.859 0.000 3.078 440 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.227 440 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.227 440 G C 0.517 174.907 174.900 -0.850 0.000 1.306 440 G CA 0.445 44.557 45.100 -1.646 0.000 0.841 440 G HN 1.744 nan 8.290 nan 0.000 0.530 441 V N 4.695 124.312 119.914 -0.496 0.000 2.421 441 V HA 0.339 4.458 4.120 -0.002 0.000 0.271 441 V C -1.322 174.802 176.094 0.050 0.000 1.031 441 V CA -0.595 61.751 62.300 0.076 0.000 1.032 441 V CB 0.869 32.790 31.823 0.163 0.000 1.009 441 V HN 0.297 nan 8.190 nan 0.000 0.477 442 P HA 0.003 nan 4.420 nan 0.000 0.268 442 P C 1.005 178.241 177.300 -0.107 0.000 1.208 442 P CA -0.043 63.050 63.100 -0.012 0.000 0.777 442 P CB 0.643 32.405 31.700 0.104 0.000 0.875 443 L N 3.012 123.956 121.223 -0.465 0.000 2.129 443 L HA -0.047 4.292 4.340 -0.002 0.000 0.212 443 L C 0.502 177.144 176.870 -0.380 0.000 1.087 443 L CA 1.712 56.213 54.840 -0.566 0.000 0.757 443 L CB 0.123 41.620 42.059 -0.937 0.000 0.896 443 L HN 0.195 nan 8.230 nan 0.000 0.434 444 V N -1.355 118.501 119.914 -0.096 0.000 3.036 444 V HA 0.396 4.515 4.120 -0.002 0.000 0.288 444 V C -1.859 174.345 176.094 0.184 0.000 1.407 444 V CA -0.514 61.775 62.300 -0.018 0.000 0.983 444 V CB 1.967 33.653 31.823 -0.228 0.000 1.128 444 V HN 0.320 nan 8.190 nan 0.000 0.439 445 Y N 2.409 122.771 120.300 0.104 0.000 2.713 445 Y HA 0.817 5.366 4.550 -0.002 0.000 0.335 445 Y C -1.031 175.202 175.900 0.555 0.000 1.222 445 Y CA -0.768 57.475 58.100 0.238 0.000 1.061 445 Y CB 1.401 39.966 38.460 0.175 0.000 1.314 445 Y HN 0.758 nan 8.280 nan 0.000 0.453 446 E N 1.793 122.475 120.200 0.803 0.000 2.232 446 E HA 0.817 5.166 4.350 -0.002 0.000 0.264 446 E C -1.099 175.886 176.600 0.641 0.000 0.973 446 E CA -1.148 55.782 56.400 0.885 0.000 0.849 446 E CB 1.939 32.310 29.700 1.119 0.000 1.198 446 E HN 0.986 nan 8.360 nan 0.000 0.407 447 A N 2.518 125.642 122.820 0.507 0.000 2.304 447 A HA 0.304 4.623 4.320 -0.002 0.000 0.301 447 A C 0.521 178.336 177.584 0.385 0.000 1.132 447 A CA -0.542 51.838 52.037 0.572 0.000 0.819 447 A CB 0.615 19.895 19.000 0.467 0.000 1.094 447 A HN 0.678 nan 8.150 nan 0.000 0.492 448 L N 1.592 122.874 121.223 0.099 0.000 1.915 448 L HA -0.173 4.166 4.340 -0.002 0.000 0.225 448 L C 2.204 179.168 176.870 0.156 0.000 1.084 448 L CA 2.941 57.746 54.840 -0.059 0.000 0.788 448 L CB -1.092 40.781 42.059 -0.311 0.000 0.892 448 L HN 0.934 nan 8.230 nan 0.000 0.434 449 S N -2.985 112.838 115.700 0.205 0.000 3.339 449 S HA 0.050 4.519 4.470 -0.002 0.000 0.221 449 S C 0.778 175.593 174.600 0.359 0.000 1.059 449 S CA -0.244 58.113 58.200 0.261 0.000 1.365 449 S CB -0.067 63.268 63.200 0.226 0.000 1.065 449 S HN 0.474 nan 8.310 nan 0.000 0.618 450 W N 0.722 122.135 121.300 0.189 0.000 3.033 450 W HA 0.177 4.836 4.660 -0.002 0.000 0.250 450 W C 1.548 178.198 176.519 0.218 0.000 1.105 450 W CA 0.513 57.981 57.345 0.205 0.000 1.655 450 W CB -0.366 29.202 29.460 0.179 0.000 1.001 450 W HN 0.530 nan 8.180 nan 0.000 0.653 451 Q N 0.007 120.060 119.800 0.422 0.000 2.376 451 Q HA -0.225 4.114 4.340 -0.002 0.000 0.211 451 Q C 1.993 178.122 176.000 0.215 0.000 0.986 451 Q CA 1.876 57.853 55.803 0.291 0.000 0.886 451 Q CB -0.851 28.034 28.738 0.245 0.000 0.927 451 Q HN 0.482 nan 8.270 nan 0.000 0.457 452 H N -1.343 117.791 119.070 0.106 0.000 2.300 452 H HA 0.036 4.591 4.556 -0.002 0.000 0.312 452 H C 1.949 177.310 175.328 0.055 0.000 1.057 452 H CA 0.973 57.084 56.048 0.106 0.000 1.380 452 H CB -0.048 29.775 29.762 0.102 0.000 1.424 452 H HN 0.320 nan 8.280 nan 0.000 0.534 453 G N 0.985 109.708 108.800 -0.128 0.000 2.545 453 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.222 453 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.222 453 G C 1.786 176.436 174.900 -0.417 0.000 1.126 453 G CA 1.326 46.265 45.100 -0.269 0.000 0.754 453 G HN 0.333 nan 8.290 nan 0.000 0.583 454 V N 0.468 120.162 119.914 -0.367 0.000 2.223 454 V HA -0.134 3.985 4.120 -0.002 0.000 0.244 454 V C 2.302 178.241 176.094 -0.260 0.000 1.045 454 V CA 2.013 64.161 62.300 -0.253 0.000 1.000 454 V CB -0.803 31.007 31.823 -0.023 0.000 0.635 454 V HN 0.434 nan 8.190 nan 0.000 0.445 455 F N 0.692 120.507 119.950 -0.225 0.000 2.115 455 F HA -0.243 4.283 4.527 -0.002 0.000 0.300 455 F C 2.210 177.833 175.800 -0.296 0.000 1.092 455 F CA 2.032 59.921 58.000 -0.185 0.000 1.245 455 F CB -0.651 38.297 39.000 -0.086 0.000 0.995 455 F HN -0.040 nan 8.300 nan 0.000 0.481 456 V N 1.044 120.617 119.914 -0.569 0.000 2.252 456 V HA -0.330 3.789 4.120 -0.002 0.000 0.249 456 V C 2.837 178.400 176.094 -0.885 0.000 1.056 456 V CA 2.180 64.086 62.300 -0.658 0.000 1.022 456 V CB -1.709 29.834 31.823 -0.467 0.000 0.641 456 V HN 0.616 nan 8.190 nan 0.000 0.445 457 G N -0.423 107.583 108.800 -1.325 0.000 2.513 457 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.219 457 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.219 457 G C 1.638 175.747 174.900 -1.319 0.000 1.160 457 G CA 1.093 44.928 45.100 -2.109 0.000 0.767 457 G HN 0.694 nan 8.290 nan 0.000 0.571 458 A N 0.240 122.611 122.820 -0.748 0.000 2.216 458 A HA 0.475 4.794 4.320 -0.002 0.000 0.214 458 A C 2.148 179.539 177.584 -0.322 0.000 1.160 458 A CA 1.717 53.642 52.037 -0.187 0.000 0.725 458 A CB -0.218 18.757 19.000 -0.043 0.000 0.784 458 A HN 0.941 nan 8.150 nan 0.000 0.472 459 A N -0.684 121.805 122.820 -0.552 0.000 2.574 459 A HA 0.495 4.814 4.320 -0.002 0.000 0.283 459 A C 0.588 178.062 177.584 -0.183 0.000 1.270 459 A CA -0.475 51.316 52.037 -0.411 0.000 0.945 459 A CB -0.263 18.357 19.000 -0.634 0.000 1.127 459 A HN 0.368 nan 8.150 nan 0.000 0.522 460 M N 1.230 120.723 119.600 -0.179 0.000 2.227 460 M HA 0.257 4.736 4.480 -0.002 0.000 0.349 460 M C 0.050 176.382 176.300 0.054 0.000 1.443 460 M CA 0.876 56.147 55.300 -0.047 0.000 1.110 460 M CB -0.064 32.484 32.600 -0.086 0.000 1.773 460 M HN 0.305 nan 8.290 nan 0.000 0.463 461 R N 1.060 121.592 120.500 0.052 0.000 2.888 461 R HA 0.785 5.124 4.340 -0.002 0.000 0.266 461 R C -0.823 175.474 176.300 -0.005 0.000 1.020 461 R CA -0.777 55.308 56.100 -0.026 0.000 0.963 461 R CB 2.407 32.636 30.300 -0.120 0.000 1.197 461 R HN 0.697 nan 8.270 nan 0.000 0.481 462 S N -0.256 115.416 115.700 -0.046 0.000 2.567 462 S HA 0.117 4.586 4.470 -0.002 0.000 0.270 462 S C -1.677 172.898 174.600 -0.041 0.000 1.152 462 S CA -0.768 57.427 58.200 -0.009 0.000 0.835 462 S CB 1.734 64.950 63.200 0.028 0.000 1.115 462 S HN 0.587 nan 8.310 nan 0.000 0.459 463 E N 1.466 121.651 120.200 -0.026 0.000 2.316 463 E HA 0.568 4.917 4.350 -0.002 0.000 0.275 463 E C -0.063 176.509 176.600 -0.046 0.000 1.029 463 E CA -0.278 56.099 56.400 -0.038 0.000 0.871 463 E CB 0.981 30.666 29.700 -0.025 0.000 1.022 463 E HN 0.638 nan 8.360 nan 0.000 0.418 474 I N 3.200 123.748 120.570 -0.037 0.000 2.440 474 I HA 0.477 4.646 4.170 -0.002 0.000 0.294 474 I C 0.500 176.574 176.117 -0.071 0.000 0.995 474 I CA -0.972 60.295 61.300 -0.053 0.000 1.306 474 I CB 0.754 38.723 38.000 -0.053 0.000 1.407 474 I HN -0.025 nan 8.210 nan 0.000 0.501 475 I N 5.828 126.337 120.570 -0.100 0.000 2.362 475 I HA 0.467 4.636 4.170 -0.002 0.000 0.289 475 I C -0.176 175.813 176.117 -0.213 0.000 0.994 475 I CA -0.370 60.849 61.300 -0.136 0.000 1.158 475 I CB 1.666 39.583 38.000 -0.138 0.000 1.315 475 I HN 0.462 nan 8.210 nan 0.000 0.451 476 M N 4.199 123.669 119.600 -0.216 0.000 2.716 476 M HA 0.467 4.946 4.480 -0.002 0.000 0.307 476 M C -0.600 175.496 176.300 -0.340 0.000 1.223 476 M CA -0.818 54.315 55.300 -0.279 0.000 0.871 476 M CB 2.126 34.631 32.600 -0.157 0.000 1.739 476 M HN 0.386 nan 8.290 nan 0.000 0.475 477 H N 0.976 119.847 119.070 -0.331 0.000 2.646 477 H HA 0.240 4.795 4.556 -0.002 0.000 0.325 477 H C -1.099 174.096 175.328 -0.222 0.000 1.075 477 H CA 0.211 56.019 56.048 -0.400 0.000 1.421 477 H CB 0.848 30.017 29.762 -0.988 0.000 1.461 477 H HN 0.414 nan 8.280 nan 0.000 0.525 478 D N 4.541 124.954 120.400 0.022 0.000 2.468 478 D HA 0.226 4.865 4.640 -0.002 0.000 0.272 478 D C -2.673 173.657 176.300 0.050 0.000 1.221 478 D CA -1.914 52.105 54.000 0.030 0.000 0.860 478 D CB 0.867 41.690 40.800 0.039 0.000 1.190 478 D HN 0.183 nan 8.370 nan 0.000 0.509 479 P HA 0.060 nan 4.420 nan 0.000 0.258 479 P C 0.051 177.557 177.300 0.343 0.000 1.187 479 P CA 0.060 63.230 63.100 0.117 0.000 0.767 479 P CB -0.176 31.536 31.700 0.020 0.000 0.770 480 F N 1.971 121.955 119.950 0.056 0.000 3.021 480 F HA -0.322 4.204 4.527 -0.001 0.000 0.294 480 F C 1.397 177.302 175.800 0.174 0.000 0.761 480 F CA 0.925 59.012 58.000 0.144 0.000 1.102 480 F CB -2.521 36.647 39.000 0.280 0.000 1.380 480 F HN 0.526 nan 8.300 nan 0.000 0.387 481 A N -1.416 121.549 122.820 0.242 0.000 2.860 481 A HA -0.281 4.038 4.320 -0.002 0.000 0.267 481 A C 1.214 178.994 177.584 0.327 0.000 1.421 481 A CA 1.628 53.818 52.037 0.255 0.000 0.831 481 A CB -1.524 17.607 19.000 0.220 0.000 1.041 481 A HN 0.469 nan 8.150 nan 0.000 0.623 482 M N -1.574 118.046 119.600 0.033 0.000 2.412 482 M HA 0.156 4.635 4.480 -0.002 0.000 0.315 482 M C 1.524 177.198 176.300 -1.043 0.000 1.092 482 M CA 0.304 55.354 55.300 -0.416 0.000 0.974 482 M CB -0.189 31.946 32.600 -0.775 0.000 1.437 482 M HN 0.616 nan 8.290 nan 0.000 0.524 483 R N 1.835 122.042 120.500 -0.489 0.000 2.103 483 R HA -0.147 4.192 4.340 -0.002 0.000 0.242 483 R C -0.991 175.070 176.300 -0.397 0.000 1.142 483 R CA 1.860 57.790 56.100 -0.284 0.000 0.960 483 R CB -0.809 29.439 30.300 -0.086 0.000 0.858 483 R HN 0.175 nan 8.270 nan 0.000 0.439 484 P HA -0.046 nan 4.420 nan 0.000 0.229 484 P C 0.059 176.882 177.300 -0.795 0.000 1.160 484 P CA 1.169 63.766 63.100 -0.839 0.000 0.777 484 P CB 0.141 30.998 31.700 -1.406 0.000 0.814 485 F N -2.834 116.913 119.950 -0.339 0.000 2.698 485 F HA 0.314 4.840 4.527 -0.002 0.000 0.304 485 F C 0.454 176.054 175.800 -0.334 0.000 1.108 485 F CA -0.853 56.969 58.000 -0.297 0.000 1.263 485 F CB -0.340 38.504 39.000 -0.261 0.000 1.013 485 F HN -0.286 nan 8.300 nan 0.000 0.532 486 F N 0.733 120.630 119.950 -0.089 0.000 2.506 486 F HA 0.274 4.800 4.527 -0.002 0.000 0.371 486 F C 1.552 177.287 175.800 -0.109 0.000 1.078 486 F CA -0.335 57.546 58.000 -0.199 0.000 1.195 486 F CB 0.885 39.698 39.000 -0.313 0.000 1.099 486 F HN 0.092 nan 8.300 nan 0.000 0.548 487 G N 3.325 112.219 108.800 0.156 0.000 2.985 487 G HA2 0.103 4.062 3.960 -0.002 0.000 0.209 487 G HA3 0.103 4.062 3.960 -0.002 0.000 0.209 487 G C -0.353 174.725 174.900 0.297 0.000 1.165 487 G CA 0.268 45.475 45.100 0.178 0.000 0.776 487 G HN 0.731 nan 8.290 nan 0.000 0.541 488 Y N -3.182 117.172 120.300 0.090 0.000 2.853 488 Y HA 0.502 5.052 4.550 -0.001 0.000 0.326 488 Y C -0.470 175.456 175.900 0.043 0.000 1.384 488 Y CA -1.862 56.269 58.100 0.050 0.000 1.077 488 Y CB 0.329 38.799 38.460 0.015 0.000 1.395 488 Y HN -0.189 nan 8.280 nan 0.000 0.451 489 N N 1.755 120.515 118.700 0.100 0.000 2.386 489 N HA -0.124 4.615 4.740 -0.002 0.000 0.273 489 N C 0.516 175.928 175.510 -0.165 0.000 1.331 489 N CA 0.394 53.429 53.050 -0.025 0.000 0.891 489 N CB 0.074 38.580 38.487 0.032 0.000 1.139 489 N HN 0.779 nan 8.380 nan 0.000 0.487 490 F N 4.754 124.422 119.950 -0.470 0.000 2.120 490 F HA -0.120 4.405 4.527 -0.002 0.000 0.300 490 F C 2.031 177.664 175.800 -0.279 0.000 1.095 490 F CA 2.039 59.631 58.000 -0.679 0.000 1.249 490 F CB -0.756 37.744 39.000 -0.834 0.000 0.995 490 F HN 0.559 nan 8.300 nan 0.000 0.480 491 G N 0.458 109.087 108.800 -0.286 0.000 2.628 491 G HA2 -0.361 3.598 3.960 -0.002 0.000 0.217 491 G HA3 -0.361 3.598 3.960 -0.002 0.000 0.217 491 G C 1.830 176.629 174.900 -0.168 0.000 1.240 491 G CA 1.228 46.167 45.100 -0.268 0.000 0.792 491 G HN 0.390 nan 8.290 nan 0.000 0.593 492 K N -0.619 119.764 120.400 -0.029 0.000 2.127 492 K HA -0.232 4.087 4.320 -0.002 0.000 0.208 492 K C 2.242 178.986 176.600 0.240 0.000 1.047 492 K CA 1.713 58.071 56.287 0.118 0.000 0.927 492 K CB -0.407 32.232 32.500 0.231 0.000 0.716 492 K HN 0.530 nan 8.250 nan 0.000 0.450 493 Y N 1.315 121.609 120.300 -0.010 0.000 2.352 493 Y HA -0.129 4.420 4.550 -0.002 0.000 0.292 493 Y C 1.629 177.584 175.900 0.090 0.000 1.136 493 Y CA 1.006 59.128 58.100 0.037 0.000 1.227 493 Y CB 0.047 38.270 38.460 -0.395 0.000 0.991 493 Y HN -0.052 nan 8.280 nan 0.000 0.545 494 L N -0.417 120.740 121.223 -0.111 0.000 2.127 494 L HA -0.027 4.312 4.340 -0.002 0.000 0.203 494 L C 2.814 179.710 176.870 0.043 0.000 1.080 494 L CA 0.851 55.613 54.840 -0.129 0.000 0.768 494 L CB -0.880 41.005 42.059 -0.290 0.000 0.924 494 L HN 0.253 nan 8.230 nan 0.000 0.444 495 A N -0.428 122.420 122.820 0.047 0.000 1.978 495 A HA -0.311 4.008 4.320 -0.002 0.000 0.220 495 A C 2.123 179.799 177.584 0.154 0.000 1.170 495 A CA 2.085 54.180 52.037 0.095 0.000 0.636 495 A CB -0.785 18.259 19.000 0.073 0.000 0.810 495 A HN 0.496 nan 8.150 nan 0.000 0.448 496 H N -2.210 116.893 119.070 0.055 0.000 2.326 496 H HA -0.151 4.405 4.556 -0.001 0.000 0.301 496 H C 1.722 177.061 175.328 0.018 0.000 1.081 496 H CA 1.913 57.968 56.048 0.012 0.000 1.334 496 H CB -0.436 29.326 29.762 -0.000 0.000 1.385 496 H HN 0.610 nan 8.280 nan 0.000 0.504 497 W N 0.544 121.742 121.300 -0.171 0.000 2.350 497 W HA -0.118 4.541 4.660 -0.002 0.000 0.289 497 W C 2.327 179.008 176.519 0.271 0.000 1.215 497 W CA 1.215 58.531 57.345 -0.048 0.000 1.236 497 W CB -0.305 29.083 29.460 -0.120 0.000 1.130 497 W HN 0.215 nan 8.180 nan 0.000 0.541 498 L N -1.034 120.430 121.223 0.401 0.000 2.109 498 L HA -0.185 4.154 4.340 -0.002 0.000 0.207 498 L C 2.420 179.401 176.870 0.185 0.000 1.086 498 L CA 1.082 56.148 54.840 0.378 0.000 0.760 498 L CB -1.069 41.139 42.059 0.248 0.000 0.910 498 L HN -0.226 nan 8.230 nan 0.000 0.437 499 S N -0.292 115.460 115.700 0.086 0.000 2.419 499 S HA -0.146 4.323 4.470 -0.002 0.000 0.235 499 S C 1.923 176.500 174.600 -0.037 0.000 1.019 499 S CA 1.129 59.338 58.200 0.015 0.000 0.982 499 S CB -0.121 63.087 63.200 0.015 0.000 0.789 499 S HN 0.307 nan 8.310 nan 0.000 0.490 500 M N 0.715 120.263 119.600 -0.086 0.000 2.374 500 M HA 0.101 4.580 4.480 -0.002 0.000 0.264 500 M C 2.277 178.427 176.300 -0.250 0.000 1.067 500 M CA 0.653 55.882 55.300 -0.118 0.000 1.103 500 M CB -1.657 30.836 32.600 -0.178 0.000 1.402 500 M HN 0.332 nan 8.290 nan 0.000 0.444 501 A N -0.037 122.565 122.820 -0.363 0.000 2.015 501 A HA -0.146 4.173 4.320 -0.002 0.000 0.219 501 A C 2.062 179.523 177.584 -0.205 0.000 1.163 501 A CA 1.295 53.080 52.037 -0.420 0.000 0.646 501 A CB -0.354 18.485 19.000 -0.269 0.000 0.806 501 A HN 0.448 nan 8.150 nan 0.000 0.448 502 Q N -1.143 118.590 119.800 -0.112 0.000 2.408 502 Q HA 0.094 4.433 4.340 -0.002 0.000 0.205 502 Q C 0.504 176.453 176.000 -0.085 0.000 0.919 502 Q CA 0.260 56.015 55.803 -0.081 0.000 0.932 502 Q CB -0.380 28.329 28.738 -0.049 0.000 1.058 502 Q HN 0.840 nan 8.270 nan 0.000 0.517 503 H N 2.016 120.990 119.070 -0.159 0.000 3.187 503 H HA 0.024 4.579 4.556 -0.002 0.000 0.286 503 H C -2.126 173.036 175.328 -0.276 0.000 0.944 503 H CA -1.503 54.436 56.048 -0.181 0.000 1.429 503 H CB 0.467 30.136 29.762 -0.156 0.000 1.483 503 H HN -0.053 nan 8.280 nan 0.000 0.555 504 P HA -0.036 nan 4.420 nan 0.000 0.261 504 P C -0.290 176.882 177.300 -0.212 0.000 1.173 504 P CA 1.366 64.304 63.100 -0.271 0.000 0.760 504 P CB 0.413 31.937 31.700 -0.293 0.000 0.783 505 A N 2.405 125.115 122.820 -0.183 0.000 2.869 505 A HA -0.064 4.255 4.320 -0.002 0.000 0.280 505 A C 0.732 178.160 177.584 -0.261 0.000 1.458 505 A CA 0.514 52.442 52.037 -0.181 0.000 0.776 505 A CB -2.094 16.811 19.000 -0.159 0.000 1.028 505 A HN 0.725 nan 8.150 nan 0.000 0.547 506 A N 0.617 123.244 122.820 -0.322 0.000 2.404 506 A HA 0.520 4.839 4.320 -0.002 0.000 0.273 506 A C 0.739 178.133 177.584 -0.317 0.000 1.144 506 A CA -0.154 51.555 52.037 -0.547 0.000 0.806 506 A CB 0.207 18.873 19.000 -0.556 0.000 1.080 506 A HN 0.425 nan 8.150 nan 0.000 0.509 507 K N 4.441 124.693 120.400 -0.246 0.000 2.187 507 K HA 0.174 4.493 4.320 -0.002 0.000 0.242 507 K C -0.670 175.979 176.600 0.081 0.000 1.179 507 K CA 0.129 56.405 56.287 -0.018 0.000 1.097 507 K CB 0.054 32.624 32.500 0.116 0.000 1.634 507 K HN 0.649 nan 8.250 nan 0.000 0.335 508 L N 4.096 125.329 121.223 0.018 0.000 2.565 508 L HA 0.061 4.400 4.340 -0.002 0.000 0.275 508 L C -1.740 175.302 176.870 0.287 0.000 1.137 508 L CA -1.554 53.334 54.840 0.079 0.000 0.915 508 L CB -0.449 41.517 42.059 -0.154 0.000 1.232 508 L HN 0.095 nan 8.230 nan 0.000 0.473 509 P HA -0.048 nan 4.420 nan 0.000 0.269 509 P C -0.430 176.994 177.300 0.206 0.000 1.211 509 P CA -0.122 63.133 63.100 0.258 0.000 0.781 509 P CB 0.491 32.342 31.700 0.253 0.000 0.877 510 K N 1.997 122.402 120.400 0.008 0.000 2.312 510 K HA 0.273 4.592 4.320 -0.002 0.000 0.287 510 K C -0.272 176.034 176.600 -0.490 0.000 1.062 510 K CA -0.229 55.924 56.287 -0.224 0.000 0.934 510 K CB -0.063 32.246 32.500 -0.318 0.000 1.027 510 K HN 0.378 nan 8.250 nan 0.000 0.478 511 I N 5.631 125.960 120.570 -0.401 0.000 2.353 511 I HA 0.255 4.424 4.170 -0.002 0.000 0.293 511 I C -0.537 175.320 176.117 -0.433 0.000 0.992 511 I CA -0.449 60.655 61.300 -0.326 0.000 1.268 511 I CB 0.628 38.584 38.000 -0.074 0.000 1.387 511 I HN 0.487 nan 8.210 nan 0.000 0.478 512 F N 4.247 124.240 119.950 0.072 0.000 2.563 512 F HA 0.435 4.962 4.527 -0.001 0.000 0.316 512 F C 0.149 175.928 175.800 -0.034 0.000 1.076 512 F CA -0.886 57.148 58.000 0.057 0.000 0.921 512 F CB 1.696 40.770 39.000 0.123 0.000 1.209 512 F HN 0.424 nan 8.300 nan 0.000 0.462 513 H N 1.817 120.810 119.070 -0.128 0.000 2.533 513 H HA 0.779 5.334 4.556 -0.002 0.000 0.343 513 H C -1.083 174.116 175.328 -0.216 0.000 1.160 513 H CA -0.453 55.436 56.048 -0.265 0.000 1.218 513 H CB 2.051 31.433 29.762 -0.632 0.000 1.566 513 H HN 0.576 nan 8.280 nan 0.000 0.522 514 V N 1.564 121.269 119.914 -0.348 0.000 3.084 514 V HA 0.602 4.721 4.120 -0.002 0.000 0.311 514 V C -0.661 175.194 176.094 -0.397 0.000 1.311 514 V CA -1.003 61.085 62.300 -0.354 0.000 1.062 514 V CB 2.030 33.480 31.823 -0.621 0.000 1.113 514 V HN 0.856 nan 8.190 nan 0.000 0.468 515 N N -1.131 117.052 118.700 -0.862 0.000 5.094 515 N HA 0.161 4.900 4.740 -0.002 0.000 0.159 515 N C -1.246 173.746 175.510 -0.863 0.000 1.016 515 N CA -0.276 52.366 53.050 -0.679 0.000 1.158 515 N CB 0.823 39.196 38.487 -0.190 0.000 1.540 515 N HN 0.903 nan 8.380 nan 0.000 0.969 516 W N 2.127 123.120 121.300 -0.512 0.000 2.907 516 W HA 0.392 5.051 4.660 -0.002 0.000 0.271 516 W C 0.548 176.463 176.519 -1.006 0.000 1.253 516 W CA -0.257 56.551 57.345 -0.894 0.000 1.501 516 W CB 0.380 28.984 29.460 -1.426 0.000 1.047 516 W HN 0.371 nan 8.180 nan 0.000 0.610 517 F N 1.480 121.283 119.950 -0.245 0.000 2.883 517 F HA 0.358 4.884 4.527 -0.002 0.000 0.312 517 F C 0.713 176.433 175.800 -0.134 0.000 1.246 517 F CA -0.562 57.128 58.000 -0.516 0.000 1.238 517 F CB -0.047 38.636 39.000 -0.527 0.000 1.195 517 F HN -0.376 nan 8.300 nan 0.000 0.526 518 R N 2.321 122.851 120.500 0.049 0.000 2.204 518 R HA 0.279 4.618 4.340 -0.002 0.000 0.341 518 R C 0.126 176.554 176.300 0.213 0.000 1.035 518 R CA -0.307 55.846 56.100 0.088 0.000 0.887 518 R CB 0.577 30.845 30.300 -0.054 0.000 1.114 518 R HN 0.359 nan 8.270 nan 0.000 0.473 519 K N 1.752 122.300 120.400 0.246 0.000 2.386 519 K HA 0.063 4.382 4.320 -0.002 0.000 0.249 519 K C 0.182 176.819 176.600 0.063 0.000 1.055 519 K CA -0.480 55.914 56.287 0.178 0.000 0.930 519 K CB 0.424 32.995 32.500 0.117 0.000 1.230 519 K HN 0.566 nan 8.250 nan 0.000 0.507 520 D N -0.632 119.782 120.400 0.024 0.000 3.443 520 D HA 0.026 4.665 4.640 -0.002 0.000 0.199 520 D C 0.812 177.109 176.300 -0.005 0.000 1.137 520 D CA -0.320 53.683 54.000 0.005 0.000 1.258 520 D CB -0.286 40.519 40.800 0.008 0.000 1.001 520 D HN 0.473 nan 8.370 nan 0.000 0.320 521 K N -0.668 119.727 120.400 -0.008 0.000 2.335 521 K HA 0.240 4.559 4.320 -0.002 0.000 0.195 521 K C 1.501 178.091 176.600 -0.017 0.000 1.058 521 K CA 0.321 56.602 56.287 -0.010 0.000 0.988 521 K CB 0.244 32.740 32.500 -0.007 0.000 0.880 521 K HN 0.035 nan 8.250 nan 0.000 0.513 522 E N 0.657 120.842 120.200 -0.025 0.000 2.033 522 E HA 0.095 4.444 4.350 -0.002 0.000 0.189 522 E C 1.260 177.828 176.600 -0.054 0.000 0.979 522 E CA 1.810 58.187 56.400 -0.037 0.000 0.802 522 E CB 0.163 29.837 29.700 -0.043 0.000 0.763 522 E HN 0.577 nan 8.360 nan 0.000 0.449 523 G N -1.041 107.717 108.800 -0.069 0.000 2.902 523 G HA2 -0.128 3.831 3.960 -0.002 0.000 0.215 523 G HA3 -0.128 3.831 3.960 -0.002 0.000 0.215 523 G C -0.457 174.321 174.900 -0.203 0.000 0.976 523 G CA -0.596 44.440 45.100 -0.108 0.000 0.794 523 G HN -0.059 nan 8.290 nan 0.000 0.557 524 K N 1.533 121.838 120.400 -0.157 0.000 2.466 524 K HA 0.140 4.459 4.320 -0.002 0.000 0.278 524 K C 0.270 176.832 176.600 -0.062 0.000 1.048 524 K CA 0.088 56.272 56.287 -0.172 0.000 1.088 524 K CB -0.128 32.329 32.500 -0.071 0.000 0.884 524 K HN 0.347 nan 8.250 nan 0.000 0.478 525 F N 2.420 122.397 119.950 0.045 0.000 2.607 525 F HA -0.108 4.419 4.527 -0.002 0.000 0.374 525 F C 1.837 177.649 175.800 0.019 0.000 1.104 525 F CA -0.505 57.522 58.000 0.045 0.000 1.296 525 F CB 0.192 39.230 39.000 0.063 0.000 1.085 525 F HN 0.381 nan 8.300 nan 0.000 0.584 526 L N 3.378 124.735 121.223 0.222 0.000 2.341 526 L HA -0.037 4.302 4.340 -0.002 0.000 0.214 526 L C 0.432 177.404 176.870 0.170 0.000 1.115 526 L CA 0.538 55.459 54.840 0.135 0.000 0.820 526 L CB 0.032 42.138 42.059 0.077 0.000 0.944 526 L HN 0.589 nan 8.230 nan 0.000 0.452 527 W N 2.139 123.406 121.300 -0.055 0.000 2.429 527 W HA 0.249 4.908 4.660 -0.002 0.000 0.314 527 W C -1.734 174.709 176.519 -0.126 0.000 1.062 527 W CA -1.976 55.303 57.345 -0.110 0.000 1.211 527 W CB 1.746 31.113 29.460 -0.155 0.000 1.305 527 W HN -0.114 nan 8.180 nan 0.000 0.476 528 P HA -0.092 nan 4.420 nan 0.000 0.223 528 P C 1.013 177.935 177.300 -0.631 0.000 1.144 528 P CA 1.704 64.464 63.100 -0.567 0.000 0.783 528 P CB 0.242 31.546 31.700 -0.661 0.000 0.771 529 G N -0.271 107.995 108.800 -0.889 0.000 2.668 529 G HA2 -0.257 3.703 3.960 -0.002 0.000 0.266 529 G HA3 -0.257 3.703 3.960 -0.002 0.000 0.266 529 G C 0.077 174.683 174.900 -0.489 0.000 1.328 529 G CA -0.048 44.744 45.100 -0.513 0.000 0.911 529 G HN 0.127 nan 8.290 nan 0.000 0.567 530 F N -2.181 117.556 119.950 -0.354 0.000 2.756 530 F HA -0.292 4.234 4.527 -0.002 0.000 0.240 530 F C 2.740 178.409 175.800 -0.219 0.000 1.487 530 F CA 2.432 60.254 58.000 -0.297 0.000 1.859 530 F CB -1.852 37.035 39.000 -0.188 0.000 1.319 530 F HN 1.767 nan 8.300 nan 0.000 0.230 531 G N -0.592 108.253 108.800 0.075 0.000 2.549 531 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.222 531 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.222 531 G C 1.316 176.194 174.900 -0.035 0.000 1.100 531 G CA 1.529 46.627 45.100 -0.005 0.000 0.739 531 G HN 0.495 nan 8.290 nan 0.000 0.577 532 E N 0.694 120.858 120.200 -0.060 0.000 2.170 532 E HA 0.008 4.357 4.350 -0.002 0.000 0.191 532 E C 2.360 179.113 176.600 0.256 0.000 0.981 532 E CA 0.050 56.436 56.400 -0.023 0.000 0.830 532 E CB -0.278 29.185 29.700 -0.396 0.000 0.775 532 E HN 0.266 nan 8.360 nan 0.000 0.470 533 N N 0.646 119.456 118.700 0.184 0.000 2.334 533 N HA -0.155 4.584 4.740 -0.002 0.000 0.187 533 N C 1.442 176.959 175.510 0.011 0.000 1.016 533 N CA 1.241 54.307 53.050 0.027 0.000 0.879 533 N CB -0.539 37.598 38.487 -0.584 0.000 0.965 533 N HN 0.157 nan 8.380 nan 0.000 0.438 534 S N 0.199 115.889 115.700 -0.016 0.000 2.520 534 S HA -0.076 4.393 4.470 -0.002 0.000 0.249 534 S C 1.649 176.126 174.600 -0.206 0.000 0.983 534 S CA 0.627 58.767 58.200 -0.099 0.000 0.958 534 S CB -0.178 62.960 63.200 -0.103 0.000 0.750 534 S HN 0.363 nan 8.310 nan 0.000 0.527 535 R N 0.226 120.702 120.500 -0.040 0.000 2.140 535 R HA 0.179 4.518 4.340 -0.002 0.000 0.213 535 R C 1.879 178.150 176.300 -0.048 0.000 1.059 535 R CA 0.925 56.998 56.100 -0.046 0.000 1.000 535 R CB -0.276 30.144 30.300 0.200 0.000 0.910 535 R HN 0.392 nan 8.270 nan 0.000 0.455 536 V N 1.369 121.266 119.914 -0.029 0.000 2.719 536 V HA -0.089 4.030 4.120 -0.002 0.000 0.252 536 V C 2.070 178.239 176.094 0.125 0.000 1.065 536 V CA 1.196 63.501 62.300 0.008 0.000 1.086 536 V CB -0.306 31.514 31.823 -0.006 0.000 0.700 536 V HN 0.255 nan 8.190 nan 0.000 0.467 537 L N 0.282 121.556 121.223 0.085 0.000 2.313 537 L HA -0.061 4.278 4.340 -0.002 0.000 0.214 537 L C 2.488 179.456 176.870 0.163 0.000 1.119 537 L CA 1.482 56.413 54.840 0.152 0.000 0.809 537 L CB -0.506 41.647 42.059 0.157 0.000 0.933 537 L HN 0.452 nan 8.230 nan 0.000 0.449 538 E N 0.169 120.326 120.200 -0.071 0.000 2.152 538 E HA -0.244 4.105 4.350 -0.002 0.000 0.192 538 E C 2.111 178.823 176.600 0.185 0.000 0.983 538 E CA 0.741 57.101 56.400 -0.068 0.000 0.818 538 E CB -0.124 29.232 29.700 -0.574 0.000 0.758 538 E HN 0.438 nan 8.360 nan 0.000 0.467 539 W N 1.364 122.646 121.300 -0.031 0.000 2.329 539 W HA -0.210 4.449 4.660 -0.002 0.000 0.324 539 W C 2.115 178.629 176.519 -0.008 0.000 1.222 539 W CA 2.299 59.621 57.345 -0.037 0.000 1.270 539 W CB -0.414 28.977 29.460 -0.116 0.000 1.167 539 W HN 0.042 nan 8.180 nan 0.000 0.467 540 M N -0.926 118.708 119.600 0.057 0.000 2.108 540 M HA -0.201 4.278 4.480 -0.002 0.000 0.261 540 M C 2.239 178.588 176.300 0.082 0.000 1.066 540 M CA 2.080 57.297 55.300 -0.138 0.000 1.107 540 M CB -1.165 31.448 32.600 0.023 0.000 1.356 540 M HN 0.084 nan 8.290 nan 0.000 0.406 541 F N 1.353 121.356 119.950 0.089 0.000 2.154 541 F HA -0.289 4.237 4.527 -0.001 0.000 0.301 541 F C 1.778 177.614 175.800 0.059 0.000 1.087 541 F CA 1.812 59.897 58.000 0.141 0.000 1.274 541 F CB -0.130 39.054 39.000 0.306 0.000 1.009 541 F HN 0.169 nan 8.300 nan 0.000 0.485 542 N N -0.494 118.379 118.700 0.288 0.000 2.416 542 N HA -0.034 4.705 4.740 -0.002 0.000 0.177 542 N C 1.618 177.060 175.510 -0.114 0.000 1.036 542 N CA 0.331 53.448 53.050 0.112 0.000 0.901 542 N CB -0.049 38.493 38.487 0.092 0.000 0.976 542 N HN 0.067 nan 8.380 nan 0.000 0.444 543 R N 0.482 120.810 120.500 -0.286 0.000 2.092 543 R HA 0.067 4.406 4.340 -0.002 0.000 0.231 543 R C 1.890 178.117 176.300 -0.122 0.000 1.119 543 R CA 0.574 56.465 56.100 -0.348 0.000 0.970 543 R CB -0.677 29.273 30.300 -0.582 0.000 0.864 543 R HN 0.354 nan 8.270 nan 0.000 0.440 544 I N 1.323 121.864 120.570 -0.049 0.000 2.127 544 I HA -0.279 3.890 4.170 -0.002 0.000 0.241 544 I C 1.425 177.500 176.117 -0.069 0.000 1.075 544 I CA 1.549 62.821 61.300 -0.048 0.000 1.334 544 I CB -0.363 37.578 38.000 -0.099 0.000 1.040 544 I HN 0.028 nan 8.210 nan 0.000 0.405 545 D N 0.665 121.021 120.400 -0.074 0.000 2.312 545 D HA 0.117 4.756 4.640 -0.002 0.000 0.211 545 D C 1.080 177.359 176.300 -0.035 0.000 0.964 545 D CA 1.139 55.114 54.000 -0.042 0.000 0.877 545 D CB -0.084 40.716 40.800 0.001 0.000 0.924 545 D HN 0.490 nan 8.370 nan 0.000 0.515 551 K N 4.028 124.595 120.400 0.278 0.000 2.637 551 K HA 0.527 4.846 4.320 -0.002 0.000 0.248 551 K C -1.167 175.561 176.600 0.213 0.000 0.971 551 K CA -0.839 55.556 56.287 0.180 0.000 0.858 551 K CB 1.257 33.795 32.500 0.065 0.000 1.170 551 K HN 0.514 nan 8.250 nan 0.000 0.443 552 L N 3.913 125.241 121.223 0.176 0.000 2.410 552 L HA 0.340 4.679 4.340 -0.002 0.000 0.273 552 L C -0.052 176.802 176.870 -0.027 0.000 1.152 552 L CA 0.973 55.855 54.840 0.069 0.000 0.855 552 L CB 0.952 43.029 42.059 0.031 0.000 1.129 552 L HN 0.823 nan 8.230 nan 0.000 0.463 553 T N 1.560 116.056 114.554 -0.098 0.000 2.742 553 T HA 0.627 4.976 4.350 -0.002 0.000 0.282 553 T C -2.208 172.370 174.700 -0.204 0.000 1.025 553 T CA -1.215 60.800 62.100 -0.141 0.000 1.020 553 T CB 1.335 70.107 68.868 -0.160 0.000 1.317 553 T HN 0.376 nan 8.240 nan 0.000 0.538 554 P HA 0.163 nan 4.420 nan 0.000 0.220 554 P C 1.529 178.642 177.300 -0.312 0.000 1.152 554 P CA 0.592 63.540 63.100 -0.253 0.000 0.812 554 P CB -0.289 31.263 31.700 -0.247 0.000 0.792 555 I N -4.928 115.380 120.570 -0.438 0.000 3.564 555 I HA 0.383 4.552 4.170 -0.002 0.000 0.294 555 I C 0.667 176.712 176.117 -0.121 0.000 1.289 555 I CA 0.075 61.103 61.300 -0.452 0.000 1.325 555 I CB -0.733 36.624 38.000 -1.073 0.000 1.039 555 I HN -0.057 nan 8.210 nan 0.000 0.474 556 G N 0.698 109.408 108.800 -0.151 0.000 2.570 556 G HA2 -0.141 3.818 3.960 -0.002 0.000 0.686 556 G HA3 -0.141 3.818 3.960 -0.002 0.000 0.686 556 G C -0.701 174.240 174.900 0.070 0.000 1.257 556 G CA -0.788 44.277 45.100 -0.059 0.000 0.846 556 G HN 0.305 nan 8.290 nan 0.000 0.627 557 Y N -0.313 120.147 120.300 0.265 0.000 2.903 557 Y HA 0.323 4.872 4.550 -0.002 0.000 0.338 557 Y C 1.784 177.873 175.900 0.315 0.000 1.265 557 Y CA 0.647 58.913 58.100 0.277 0.000 1.532 557 Y CB 0.034 38.702 38.460 0.346 0.000 1.293 557 Y HN 0.725 nan 8.280 nan 0.000 0.609 558 I N 0.460 121.206 120.570 0.294 0.000 3.100 558 I HA 0.712 4.881 4.170 -0.002 0.000 0.312 558 I C -2.815 173.265 176.117 -0.061 0.000 1.063 558 I CA -3.320 57.978 61.300 -0.004 0.000 1.031 558 I CB 2.004 39.923 38.000 -0.136 0.000 1.243 558 I HN 0.190 nan 8.210 nan 0.000 0.483 559 P HA 0.141 nan 4.420 nan 0.000 0.276 559 P C -1.139 176.037 177.300 -0.207 0.000 1.230 559 P CA -0.317 62.535 63.100 -0.413 0.000 0.776 559 P CB 0.480 31.491 31.700 -1.148 0.000 0.888 560 K N 2.477 122.913 120.400 0.059 0.000 2.489 560 K HA -0.055 4.264 4.320 -0.002 0.000 0.278 560 K C 0.723 177.270 176.600 -0.088 0.000 1.000 560 K CA 0.210 56.496 56.287 -0.002 0.000 1.012 560 K CB 0.291 32.827 32.500 0.060 0.000 0.903 560 K HN 0.517 nan 8.250 nan 0.000 0.485 561 E N 3.505 123.644 120.200 -0.101 0.000 2.585 561 E HA -0.204 4.145 4.350 -0.002 0.000 0.252 561 E C -0.381 176.190 176.600 -0.047 0.000 0.981 561 E CA 0.755 57.097 56.400 -0.097 0.000 0.943 561 E CB 0.202 29.866 29.700 -0.060 0.000 0.923 561 E HN 0.579 nan 8.360 nan 0.000 0.486 562 D N 2.236 122.609 120.400 -0.045 0.000 2.946 562 D HA -0.228 4.411 4.640 -0.002 0.000 0.202 562 D C 0.444 176.751 176.300 0.012 0.000 1.068 562 D CA 1.230 55.226 54.000 -0.007 0.000 1.011 562 D CB -1.155 39.647 40.800 0.004 0.000 1.105 562 D HN 0.548 nan 8.370 nan 0.000 0.425 563 A N -0.086 122.742 122.820 0.012 0.000 2.251 563 A HA 0.314 4.634 4.320 -0.002 0.000 0.209 563 A C 0.978 178.611 177.584 0.080 0.000 1.187 563 A CA 0.036 52.109 52.037 0.060 0.000 0.823 563 A CB 0.161 19.221 19.000 0.099 0.000 0.846 563 A HN 0.263 nan 8.150 nan 0.000 0.486 564 L N 1.059 122.302 121.223 0.032 0.000 2.264 564 L HA 0.227 4.566 4.340 -0.002 0.000 0.287 564 L C 0.062 176.973 176.870 0.068 0.000 1.039 564 L CA -0.784 54.080 54.840 0.040 0.000 0.829 564 L CB 0.611 42.661 42.059 -0.014 0.000 1.211 564 L HN 0.115 nan 8.230 nan 0.000 0.427 565 N N 3.605 122.345 118.700 0.068 0.000 2.309 565 N HA -0.071 4.668 4.740 -0.002 0.000 0.293 565 N C 0.531 176.087 175.510 0.076 0.000 1.327 565 N CA 0.445 53.529 53.050 0.057 0.000 1.054 565 N CB 0.254 38.756 38.487 0.026 0.000 1.474 565 N HN 0.554 nan 8.380 nan 0.000 0.486 566 L N 1.516 122.781 121.223 0.070 0.000 2.629 566 L HA 0.131 4.470 4.340 -0.002 0.000 0.230 566 L C 1.227 178.112 176.870 0.025 0.000 1.151 566 L CA -0.063 54.817 54.840 0.066 0.000 0.924 566 L CB -0.166 41.927 42.059 0.057 0.000 1.137 566 L HN 0.326 nan 8.230 nan 0.000 0.457 567 K N 0.717 121.131 120.400 0.024 0.000 2.485 567 K HA 0.070 4.389 4.320 -0.002 0.000 0.277 567 K C 1.230 177.830 176.600 -0.001 0.000 0.990 567 K CA 0.890 57.186 56.287 0.014 0.000 0.994 567 K CB 0.494 33.006 32.500 0.021 0.000 0.906 567 K HN 0.262 nan 8.250 nan 0.000 0.488 568 G N 2.361 111.159 108.800 -0.004 0.000 2.200 568 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.267 568 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.267 568 G C -0.304 174.575 174.900 -0.035 0.000 0.993 568 G CA 0.507 45.599 45.100 -0.015 0.000 0.701 568 G HN 0.461 nan 8.290 nan 0.000 0.524 569 L N 1.391 122.591 121.223 -0.038 0.000 2.319 569 L HA 0.742 5.081 4.340 -0.002 0.000 0.281 569 L C 1.050 177.887 176.870 -0.053 0.000 1.005 569 L CA 0.140 54.935 54.840 -0.075 0.000 0.828 569 L CB 1.070 43.069 42.059 -0.100 0.000 1.227 569 L HN 0.369 nan 8.230 nan 0.000 0.415 570 G N 2.195 110.963 108.800 -0.053 0.000 2.818 570 G HA2 -0.119 3.840 3.960 -0.002 0.000 0.235 570 G HA3 -0.119 3.840 3.960 -0.002 0.000 0.235 570 G C -0.308 174.605 174.900 0.021 0.000 1.244 570 G CA -0.045 45.051 45.100 -0.008 0.000 0.853 570 G HN 0.981 nan 8.290 nan 0.000 0.596 571 H N 0.361 119.419 119.070 -0.020 0.000 3.167 571 H HA 0.089 4.644 4.556 -0.002 0.000 0.306 571 H C 0.135 175.464 175.328 0.001 0.000 0.965 571 H CA 0.049 56.096 56.048 -0.002 0.000 1.408 571 H CB 0.165 29.928 29.762 0.002 0.000 1.406 571 H HN 0.131 nan 8.280 nan 0.000 0.576 572 I N 5.071 125.367 120.570 -0.457 0.000 2.406 572 I HA 0.050 4.219 4.170 -0.002 0.000 0.290 572 I C 0.219 176.105 176.117 -0.385 0.000 0.999 572 I CA -0.851 60.304 61.300 -0.241 0.000 1.124 572 I CB 1.130 39.108 38.000 -0.036 0.000 1.289 572 I HN 0.728 nan 8.210 nan 0.000 0.441 573 N N 6.975 125.636 118.700 -0.065 0.000 2.434 573 N HA 0.078 4.817 4.740 -0.002 0.000 0.273 573 N C 0.723 176.261 175.510 0.046 0.000 1.210 573 N CA 0.075 53.150 53.050 0.043 0.000 0.992 573 N CB 0.594 39.158 38.487 0.128 0.000 1.355 573 N HN 0.442 nan 8.380 nan 0.000 0.495 574 M N 2.260 121.887 119.600 0.045 0.000 2.288 574 M HA -0.055 4.424 4.480 -0.002 0.000 0.266 574 M C 1.721 178.139 176.300 0.196 0.000 1.072 574 M CA 0.779 56.171 55.300 0.153 0.000 1.132 574 M CB -0.395 32.278 32.600 0.123 0.000 1.386 574 M HN 0.629 nan 8.290 nan 0.000 0.432 575 M N -0.298 119.370 119.600 0.112 0.000 2.319 575 M HA -0.162 4.317 4.480 -0.002 0.000 0.265 575 M C 1.822 178.174 176.300 0.086 0.000 1.068 575 M CA 1.528 56.887 55.300 0.098 0.000 1.118 575 M CB -0.047 32.592 32.600 0.064 0.000 1.395 575 M HN 0.235 nan 8.290 nan 0.000 0.435 576 E N -0.004 120.233 120.200 0.062 0.000 2.190 576 E HA -0.141 4.208 4.350 -0.002 0.000 0.191 576 E C 1.895 178.484 176.600 -0.019 0.000 0.978 576 E CA 0.377 56.792 56.400 0.024 0.000 0.839 576 E CB 0.049 29.762 29.700 0.022 0.000 0.787 576 E HN 0.440 nan 8.360 nan 0.000 0.473 577 L N 0.092 121.292 121.223 -0.038 0.000 2.131 577 L HA -0.084 4.255 4.340 -0.002 0.000 0.210 577 L C 1.188 177.815 176.870 -0.405 0.000 1.092 577 L CA 1.708 56.418 54.840 -0.216 0.000 0.759 577 L CB -0.231 41.672 42.059 -0.260 0.000 0.903 577 L HN 0.116 nan 8.230 nan 0.000 0.435 578 F N -1.117 118.799 119.950 -0.058 0.000 2.661 578 F HA 0.268 4.794 4.527 -0.002 0.000 0.306 578 F C 1.249 177.016 175.800 -0.055 0.000 1.094 578 F CA -0.240 57.714 58.000 -0.076 0.000 1.254 578 F CB -0.231 38.707 39.000 -0.103 0.000 1.040 578 F HN -0.026 nan 8.300 nan 0.000 0.562 579 S N 1.726 117.476 115.700 0.084 0.000 2.533 579 S HA 0.409 4.878 4.470 -0.002 0.000 0.282 579 S C -0.274 174.360 174.600 0.057 0.000 1.304 579 S CA -0.424 57.809 58.200 0.056 0.000 1.063 579 S CB 0.375 63.592 63.200 0.029 0.000 0.881 579 S HN 0.186 nan 8.310 nan 0.000 0.493 580 I N 2.726 123.336 120.570 0.066 0.000 2.437 580 I HA 0.454 4.623 4.170 -0.002 0.000 0.298 580 I C 0.356 176.569 176.117 0.161 0.000 0.984 580 I CA -0.577 60.799 61.300 0.127 0.000 1.214 580 I CB 1.913 39.883 38.000 -0.050 0.000 1.365 580 I HN 0.828 nan 8.210 nan 0.000 0.469 581 S N 3.884 119.781 115.700 0.327 0.000 2.513 581 S HA 0.367 4.836 4.470 -0.002 0.000 0.299 581 S C 0.324 175.110 174.600 0.309 0.000 1.087 581 S CA -0.900 57.449 58.200 0.248 0.000 1.012 581 S CB 2.103 65.424 63.200 0.201 0.000 1.044 581 S HN 0.753 nan 8.310 nan 0.000 0.485 582 K N 1.019 121.528 120.400 0.182 0.000 2.362 582 K HA -0.063 4.256 4.320 -0.002 0.000 0.200 582 K C 1.675 178.376 176.600 0.168 0.000 1.046 582 K CA 1.193 57.574 56.287 0.157 0.000 0.952 582 K CB 0.010 32.561 32.500 0.086 0.000 0.753 582 K HN 0.830 nan 8.250 nan 0.000 0.466 583 E N -0.235 120.067 120.200 0.171 0.000 2.024 583 E HA -0.148 4.201 4.350 -0.002 0.000 0.190 583 E C 1.720 178.403 176.600 0.138 0.000 0.974 583 E CA 0.554 57.032 56.400 0.131 0.000 0.810 583 E CB -0.252 29.515 29.700 0.110 0.000 0.775 583 E HN 0.305 nan 8.360 nan 0.000 0.453 584 F N -0.262 119.696 119.950 0.013 0.000 2.192 584 F HA -0.191 4.335 4.527 -0.002 0.000 0.301 584 F C 1.383 177.064 175.800 -0.197 0.000 1.079 584 F CA 1.589 59.521 58.000 -0.114 0.000 1.303 584 F CB -0.137 38.762 39.000 -0.167 0.000 1.024 584 F HN 0.120 nan 8.300 nan 0.000 0.494 585 W N -0.033 121.311 121.300 0.073 0.000 3.211 585 W HA 0.074 4.733 4.660 -0.002 0.000 0.292 585 W C 1.755 178.248 176.519 -0.044 0.000 1.268 585 W CA -0.030 57.310 57.345 -0.009 0.000 1.702 585 W CB 0.095 29.606 29.460 0.085 0.000 1.092 585 W HN -0.124 nan 8.180 nan 0.000 0.643 586 D N -0.140 120.348 120.400 0.146 0.000 2.301 586 D HA -0.076 4.563 4.640 -0.002 0.000 0.206 586 D C 2.012 178.314 176.300 0.003 0.000 0.979 586 D CA 0.780 54.829 54.000 0.082 0.000 0.874 586 D CB 0.269 41.111 40.800 0.070 0.000 0.968 586 D HN 0.095 nan 8.370 nan 0.000 0.510 587 K N 0.859 121.212 120.400 -0.079 0.000 2.057 587 K HA -0.136 4.183 4.320 -0.002 0.000 0.206 587 K C 1.934 178.433 176.600 -0.167 0.000 1.050 587 K CA 0.818 57.021 56.287 -0.140 0.000 0.935 587 K CB -0.126 32.234 32.500 -0.233 0.000 0.715 587 K HN 0.044 nan 8.250 nan 0.000 0.439 588 E N 1.311 121.353 120.200 -0.264 0.000 2.006 588 E HA -0.109 4.240 4.350 -0.002 0.000 0.192 588 E C 1.824 178.426 176.600 0.003 0.000 0.993 588 E CA 0.681 56.933 56.400 -0.247 0.000 0.808 588 E CB -0.328 29.079 29.700 -0.488 0.000 0.764 588 E HN 0.002 nan 8.360 nan 0.000 0.449 589 V N 0.748 120.734 119.914 0.120 0.000 3.330 589 V HA -0.183 3.936 4.120 -0.002 0.000 0.273 589 V C 1.471 177.632 176.094 0.112 0.000 1.179 589 V CA 1.652 64.058 62.300 0.176 0.000 1.174 589 V CB -0.327 31.603 31.823 0.178 0.000 0.794 589 V HN 0.274 nan 8.190 nan 0.000 0.527 590 E N -0.771 119.466 120.200 0.062 0.000 2.099 590 E HA -0.100 4.249 4.350 -0.002 0.000 0.191 590 E C 1.745 178.381 176.600 0.059 0.000 0.962 590 E CA 0.891 57.319 56.400 0.047 0.000 0.826 590 E CB 0.061 29.770 29.700 0.015 0.000 0.788 590 E HN 0.597 nan 8.360 nan 0.000 0.461 591 D N 0.953 121.381 120.400 0.045 0.000 2.123 591 D HA -0.067 4.572 4.640 -0.002 0.000 0.200 591 D C 1.896 178.291 176.300 0.159 0.000 0.976 591 D CA 0.746 54.792 54.000 0.077 0.000 0.831 591 D CB -0.048 40.761 40.800 0.014 0.000 0.974 591 D HN 0.073 nan 8.370 nan 0.000 0.469 592 I N 0.525 121.186 120.570 0.152 0.000 2.315 592 I HA -0.232 3.937 4.170 -0.002 0.000 0.251 592 I C 2.204 178.413 176.117 0.152 0.000 1.125 592 I CA 1.233 62.621 61.300 0.147 0.000 1.392 592 I CB -0.247 37.859 38.000 0.178 0.000 1.065 592 I HN 0.153 nan 8.210 nan 0.000 0.424 593 E N 0.887 121.182 120.200 0.158 0.000 2.442 593 E HA -0.153 4.196 4.350 -0.002 0.000 0.195 593 E C 2.092 178.755 176.600 0.104 0.000 1.030 593 E CA 0.273 56.753 56.400 0.132 0.000 0.869 593 E CB 0.238 30.003 29.700 0.108 0.000 0.857 593 E HN 0.325 nan 8.360 nan 0.000 0.505 594 K N -0.600 119.875 120.400 0.124 0.000 2.098 594 K HA -0.124 4.195 4.320 -0.002 0.000 0.203 594 K C 1.811 178.506 176.600 0.158 0.000 1.051 594 K CA 0.581 56.941 56.287 0.121 0.000 0.957 594 K CB -0.107 32.466 32.500 0.121 0.000 0.738 594 K HN 0.086 nan 8.250 nan 0.000 0.447 595 Y N 2.153 122.462 120.300 0.016 0.000 2.060 595 Y HA -0.210 4.340 4.550 -0.001 0.000 0.276 595 Y C 1.856 177.732 175.900 -0.040 0.000 1.127 595 Y CA 1.625 59.698 58.100 -0.046 0.000 1.104 595 Y CB -0.683 37.573 38.460 -0.340 0.000 0.983 595 Y HN -0.046 nan 8.280 nan 0.000 0.483 596 L N -0.972 120.224 121.223 -0.045 0.000 2.021 596 L HA -0.293 4.046 4.340 -0.002 0.000 0.215 596 L C 2.319 179.145 176.870 -0.075 0.000 1.074 596 L CA 1.715 56.502 54.840 -0.089 0.000 0.760 596 L CB -1.219 40.859 42.059 0.032 0.000 0.889 596 L HN 0.138 nan 8.230 nan 0.000 0.433 597 V N -0.289 119.614 119.914 -0.017 0.000 2.427 597 V HA -0.225 3.894 4.120 -0.002 0.000 0.248 597 V C 2.028 178.103 176.094 -0.032 0.000 1.051 597 V CA 1.826 64.118 62.300 -0.014 0.000 1.048 597 V CB -0.535 31.296 31.823 0.013 0.000 0.666 597 V HN 0.438 nan 8.190 nan 0.000 0.456 598 D N -1.017 119.364 120.400 -0.033 0.000 2.162 598 D HA -0.073 4.566 4.640 -0.002 0.000 0.205 598 D C 2.321 178.574 176.300 -0.080 0.000 0.964 598 D CA 0.717 54.698 54.000 -0.031 0.000 0.847 598 D CB -0.144 40.664 40.800 0.013 0.000 0.988 598 D HN 0.303 nan 8.370 nan 0.000 0.480 599 Q N 0.502 120.194 119.800 -0.179 0.000 1.984 599 Q HA 0.004 4.343 4.340 -0.002 0.000 0.196 599 Q C 2.552 178.443 176.000 -0.181 0.000 0.975 599 Q CA 0.608 56.258 55.803 -0.255 0.000 0.827 599 Q CB -0.539 27.823 28.738 -0.627 0.000 0.894 599 Q HN 0.148 nan 8.270 nan 0.000 0.438 600 V N 1.602 121.411 119.914 -0.175 0.000 2.427 600 V HA -0.199 3.920 4.120 -0.002 0.000 0.248 600 V C 1.433 177.480 176.094 -0.079 0.000 1.051 600 V CA 1.156 63.401 62.300 -0.093 0.000 1.048 600 V CB -0.853 30.927 31.823 -0.071 0.000 0.666 600 V HN 0.459 nan 8.190 nan 0.000 0.456 601 N N 0.104 118.761 118.700 -0.072 0.000 1.188 601 N HA -0.391 4.348 4.740 -0.002 0.000 0.128 601 N C 1.184 176.667 175.510 -0.045 0.000 0.759 601 N CA 2.473 55.492 53.050 -0.051 0.000 0.905 601 N CB -1.472 36.985 38.487 -0.049 0.000 1.156 601 N HN 0.369 nan 8.380 nan 0.000 0.553 602 A N -0.419 122.376 122.820 -0.042 0.000 2.070 602 A HA -0.111 4.208 4.320 -0.002 0.000 0.220 602 A C 1.260 178.820 177.584 -0.040 0.000 1.159 602 A CA 2.164 54.179 52.037 -0.037 0.000 0.656 602 A CB -0.448 18.530 19.000 -0.036 0.000 0.800 602 A HN 0.617 nan 8.150 nan 0.000 0.453 603 D N -0.711 119.658 120.400 -0.051 0.000 2.328 603 D HA 0.112 4.751 4.640 -0.002 0.000 0.226 603 D C 0.020 176.279 176.300 -0.069 0.000 1.066 603 D CA -0.070 53.897 54.000 -0.055 0.000 0.861 603 D CB 0.037 40.800 40.800 -0.060 0.000 0.912 603 D HN 0.338 nan 8.370 nan 0.000 0.521 604 L N 3.126 124.311 121.223 -0.063 0.000 2.360 604 L HA 0.244 4.583 4.340 -0.002 0.000 0.276 604 L C -2.230 174.614 176.870 -0.043 0.000 1.121 604 L CA -1.617 53.181 54.840 -0.069 0.000 0.845 604 L CB 0.388 42.418 42.059 -0.048 0.000 1.143 604 L HN -0.235 nan 8.230 nan 0.000 0.452 605 P HA 0.078 nan 4.420 nan 0.000 0.271 605 P C 0.471 177.776 177.300 0.009 0.000 1.220 605 P CA -0.134 62.961 63.100 -0.010 0.000 0.768 605 P CB 0.630 32.330 31.700 -0.000 0.000 0.848 606 C N 2.305 121.612 119.300 0.012 0.000 2.432 606 C HA -0.052 4.407 4.460 -0.002 0.000 0.282 606 C C 2.267 177.271 174.990 0.023 0.000 1.388 606 C CA 0.328 59.354 59.018 0.013 0.000 1.777 606 C CB -1.416 26.329 27.740 0.008 0.000 1.882 606 C HN 0.657 nan 8.230 nan 0.000 0.520 607 E N 0.510 120.733 120.200 0.038 0.000 2.455 607 E HA -0.123 4.226 4.350 -0.002 0.000 0.202 607 E C 1.677 178.318 176.600 0.069 0.000 1.045 607 E CA 0.634 57.069 56.400 0.059 0.000 0.872 607 E CB 0.079 29.829 29.700 0.084 0.000 0.792 607 E HN 0.590 nan 8.360 nan 0.000 0.542 608 I N 0.144 120.752 120.570 0.064 0.000 3.172 608 I HA -0.073 4.096 4.170 -0.002 0.000 0.278 608 I C 1.859 178.002 176.117 0.042 0.000 1.174 608 I CA 0.763 62.126 61.300 0.105 0.000 1.445 608 I CB -0.543 37.536 38.000 0.131 0.000 1.175 608 I HN 0.080 nan 8.210 nan 0.000 0.447 609 E N 0.870 121.081 120.200 0.019 0.000 2.110 609 E HA -0.186 4.163 4.350 -0.002 0.000 0.193 609 E C 2.190 178.747 176.600 -0.071 0.000 0.988 609 E CA 0.923 57.312 56.400 -0.018 0.000 0.804 609 E CB -0.037 29.662 29.700 -0.002 0.000 0.745 609 E HN 0.407 nan 8.360 nan 0.000 0.458 610 R N 0.806 121.276 120.500 -0.051 0.000 2.105 610 R HA -0.127 4.212 4.340 -0.002 0.000 0.239 610 R C 2.083 178.311 176.300 -0.120 0.000 1.135 610 R CA 0.937 57.000 56.100 -0.061 0.000 0.967 610 R CB -0.153 30.133 30.300 -0.024 0.000 0.861 610 R HN 0.172 nan 8.270 nan 0.000 0.442 611 E N 0.732 120.833 120.200 -0.165 0.000 2.204 611 E HA -0.117 4.232 4.350 -0.002 0.000 0.194 611 E C 2.031 178.258 176.600 -0.622 0.000 0.989 611 E CA 0.667 56.885 56.400 -0.303 0.000 0.824 611 E CB -0.078 29.478 29.700 -0.240 0.000 0.756 611 E HN 0.416 nan 8.360 nan 0.000 0.477 612 I N 0.626 120.844 120.570 -0.586 0.000 2.226 612 I HA -0.264 3.905 4.170 -0.002 0.000 0.245 612 I C 1.972 177.947 176.117 -0.236 0.000 1.100 612 I CA 1.100 62.117 61.300 -0.472 0.000 1.374 612 I CB -0.060 37.837 38.000 -0.170 0.000 1.057 612 I HN 0.065 nan 8.210 nan 0.000 0.413 613 L N -0.330 120.795 121.223 -0.164 0.000 2.592 613 L HA 0.161 4.500 4.340 -0.002 0.000 0.227 613 L C 2.402 179.214 176.870 -0.096 0.000 1.127 613 L CA 0.142 54.924 54.840 -0.096 0.000 0.884 613 L CB -0.464 41.556 42.059 -0.064 0.000 1.065 613 L HN 0.096 nan 8.230 nan 0.000 0.457 614 A N 0.600 123.341 122.820 -0.132 0.000 1.855 614 A HA -0.107 4.212 4.320 -0.002 0.000 0.213 614 A C 2.155 179.669 177.584 -0.116 0.000 1.195 614 A CA 1.141 53.107 52.037 -0.119 0.000 0.610 614 A CB -0.479 18.442 19.000 -0.131 0.000 0.837 614 A HN 0.288 nan 8.150 nan 0.000 0.444 615 L N -0.208 120.941 121.223 -0.123 0.000 2.109 615 L HA -0.055 4.284 4.340 -0.002 0.000 0.207 615 L C 2.295 179.136 176.870 -0.049 0.000 1.086 615 L CA 2.317 57.107 54.840 -0.084 0.000 0.760 615 L CB -0.402 41.644 42.059 -0.021 0.000 0.910 615 L HN 0.410 nan 8.230 nan 0.000 0.437 616 K N -0.425 119.946 120.400 -0.047 0.000 2.059 616 K HA -0.265 4.054 4.320 -0.002 0.000 0.212 616 K C 2.058 178.645 176.600 -0.022 0.000 1.050 616 K CA 2.197 58.473 56.287 -0.019 0.000 0.927 616 K CB -0.237 32.245 32.500 -0.030 0.000 0.714 616 K HN 0.504 nan 8.250 nan 0.000 0.447 617 Q N -0.488 119.288 119.800 -0.041 0.000 2.049 617 Q HA -0.020 4.319 4.340 -0.002 0.000 0.198 617 Q C 1.933 177.907 176.000 -0.044 0.000 0.971 617 Q CA 1.117 56.897 55.803 -0.038 0.000 0.833 617 Q CB -0.016 28.696 28.738 -0.043 0.000 0.896 617 Q HN 0.199 nan 8.270 nan 0.000 0.434 618 R N 0.239 120.699 120.500 -0.066 0.000 2.395 618 R HA -0.024 4.315 4.340 -0.002 0.000 0.202 618 R C 1.134 177.387 176.300 -0.078 0.000 1.088 618 R CA 0.644 56.694 56.100 -0.084 0.000 1.090 618 R CB 0.029 30.256 30.300 -0.122 0.000 0.876 618 R HN 0.322 nan 8.270 nan 0.000 0.477 619 I N -3.269 117.275 120.570 -0.043 0.000 4.530 619 I HA -0.033 4.136 4.170 -0.002 0.000 0.318 619 I C 1.638 177.756 176.117 0.002 0.000 1.257 619 I CA 0.097 61.386 61.300 -0.017 0.000 1.301 619 I CB 0.282 38.296 38.000 0.023 0.000 1.297 619 I HN -0.011 nan 8.210 nan 0.000 0.451 620 S N 0.663 116.363 115.700 -0.001 0.000 2.474 620 S HA -0.143 4.326 4.470 -0.002 0.000 0.235 620 S C 1.590 176.187 174.600 -0.005 0.000 0.997 620 S CA 1.368 59.570 58.200 0.002 0.000 0.949 620 S CB -0.061 63.139 63.200 0.000 0.000 0.766 620 S HN 0.267 nan 8.310 nan 0.000 0.517 621 Q N 0.871 120.662 119.800 -0.015 0.000 2.212 621 Q HA 0.389 4.728 4.340 -0.002 0.000 0.213 621 Q C 0.143 176.131 176.000 -0.019 0.000 0.874 621 Q CA -0.157 55.635 55.803 -0.019 0.000 0.965 621 Q CB 0.303 29.025 28.738 -0.027 0.000 1.074 621 Q HN 0.793 nan 8.270 nan 0.000 0.473 622 M N 0.000 119.592 119.600 -0.013 0.000 2.572 622 M HA 0.000 4.479 4.480 -0.002 0.000 0.227 622 M CA 0.000 55.294 55.300 -0.010 0.000 0.988 622 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 622 M HN 0.000 nan 8.290 nan 0.000 0.411