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 1z6r_1_D DATA FIRST_RESID 12 DATA SEQUENCE QIKQTNAGAV YRLIDQLGPV SRIDLSRLAQ LAPASITKIV HEXLEAHLVQ DATA SEQUENCE ELXXXXXXXX XXXXXGLVVE TEAWHYLSLR ISRGEIFLAL RDLSSKLVVE DATA SEQUENCE ESQELALKDD LPLLDRIISH IDQFFIRHQK KLERLTSIAI TLPGIIDTEN DATA SEQUENCE GIVHRXPFYE DVKEXPLGEA LEQHTGVPVY IQHDISAWTX AEALFGASRG DATA SEQUENCE ARDVIQVVID HNVGAGVITD GHLLHAGSSS LVEIGHTQVD PYGKRCYCGN DATA SEQUENCE HGCLETIASV DSILELAQLR LNQSXSSXLH GQPLTVDSLC QAALRGDLLA DATA SEQUENCE KDIITGVGAH VGRILAIXVN LFNPQKILIG SPLSKAADIL FPVISDSIRQ DATA SEQUENCE QALPAYSQHI SVESTQFSNQ GTXAGAALVK DAXYNGSLLI RLLQG 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 176.005 176.000 0.009 0.000 1.003 12 Q CA 0.000 55.809 55.803 0.009 0.000 1.022 12 Q CB 0.000 28.743 28.738 0.009 0.000 1.108 13 I N 1.255 121.830 120.570 0.008 0.000 2.235 13 I HA 0.140 4.310 4.170 0.001 0.000 0.241 13 I C 2.162 178.285 176.117 0.009 0.000 1.085 13 I CA 1.481 62.786 61.300 0.008 0.000 1.378 13 I CB -0.402 37.602 38.000 0.006 0.000 1.076 13 I HN 0.244 nan 8.210 nan 0.000 0.415 14 K N 0.581 120.987 120.400 0.009 0.000 2.504 14 K HA -0.119 4.201 4.320 0.001 0.000 0.195 14 K C 2.085 178.692 176.600 0.011 0.000 1.036 14 K CA 0.684 56.977 56.287 0.011 0.000 0.984 14 K CB 0.049 32.556 32.500 0.011 0.000 0.788 14 K HN 0.420 nan 8.250 nan 0.000 0.488 15 Q N -0.679 119.127 119.800 0.010 0.000 2.089 15 Q HA -0.077 4.263 4.340 0.001 0.000 0.195 15 Q C 1.543 177.551 176.000 0.014 0.000 0.963 15 Q CA 1.524 57.333 55.803 0.010 0.000 0.834 15 Q CB 0.257 29.001 28.738 0.009 0.000 0.906 15 Q HN 0.275 nan 8.270 nan 0.000 0.452 16 T N 1.550 116.113 114.554 0.014 0.000 2.684 16 T HA -0.135 4.216 4.350 0.001 0.000 0.267 16 T C 1.503 176.214 174.700 0.019 0.000 1.036 16 T CA 1.427 63.538 62.100 0.017 0.000 1.148 16 T CB -0.308 68.567 68.868 0.011 0.000 0.863 16 T HN 0.320 nan 8.240 nan 0.000 0.436 17 N N 1.426 120.136 118.700 0.016 0.000 2.149 17 N HA -0.057 4.684 4.740 0.001 0.000 0.188 17 N C 2.150 177.675 175.510 0.026 0.000 1.019 17 N CA 1.348 54.408 53.050 0.016 0.000 0.857 17 N CB -0.412 38.083 38.487 0.014 0.000 0.997 17 N HN 0.432 nan 8.380 nan 0.000 0.426 18 A N 0.951 123.789 122.820 0.030 0.000 1.873 18 A HA 0.053 4.373 4.320 0.001 0.000 0.215 18 A C 2.437 180.064 177.584 0.073 0.000 1.186 18 A CA 1.758 53.821 52.037 0.043 0.000 0.616 18 A CB -1.180 17.832 19.000 0.021 0.000 0.823 18 A HN 0.341 nan 8.150 nan 0.000 0.442 19 G N -0.340 108.496 108.800 0.060 0.000 2.440 19 G HA2 -0.041 3.920 3.960 0.001 0.000 0.218 19 G HA3 -0.041 3.920 3.960 0.001 0.000 0.218 19 G C 1.744 176.699 174.900 0.091 0.000 1.154 19 G CA 1.648 46.808 45.100 0.100 0.000 0.767 19 G HN 0.785 nan 8.290 nan 0.000 0.552 20 A N 0.013 122.856 122.820 0.038 0.000 1.855 20 A HA 0.111 4.432 4.320 0.001 0.000 0.215 20 A C 2.626 180.197 177.584 -0.021 0.000 1.191 20 A CA 1.800 53.831 52.037 -0.009 0.000 0.613 20 A CB -0.773 18.222 19.000 -0.009 0.000 0.829 20 A HN 0.250 nan 8.150 nan 0.000 0.442 21 V N -1.314 118.607 119.914 0.012 0.000 2.255 21 V HA -0.322 3.799 4.120 0.001 0.000 0.247 21 V C 2.359 178.455 176.094 0.004 0.000 1.051 21 V CA 2.380 64.684 62.300 0.007 0.000 1.018 21 V CB -1.014 30.826 31.823 0.028 0.000 0.641 21 V HN 0.702 nan 8.190 nan 0.000 0.445 22 Y N 1.058 121.329 120.300 -0.048 0.000 2.128 22 Y HA -0.302 4.248 4.550 0.001 0.000 0.284 22 Y C 2.839 178.676 175.900 -0.106 0.000 1.154 22 Y CA 2.468 60.544 58.100 -0.041 0.000 1.149 22 Y CB -0.276 38.186 38.460 0.004 0.000 0.976 22 Y HN 0.096 nan 8.280 nan 0.000 0.505 23 R N 0.132 120.568 120.500 -0.107 0.000 2.105 23 R HA -0.184 4.157 4.340 0.001 0.000 0.239 23 R C 1.963 178.018 176.300 -0.409 0.000 1.135 23 R CA 1.952 57.712 56.100 -0.566 0.000 0.967 23 R CB -0.469 29.377 30.300 -0.757 0.000 0.861 23 R HN 0.488 nan 8.270 nan 0.000 0.442 24 L N 0.158 121.232 121.223 -0.249 0.000 2.095 24 L HA -0.070 4.271 4.340 0.001 0.000 0.204 24 L C 2.428 179.191 176.870 -0.180 0.000 1.080 24 L CA 0.864 55.594 54.840 -0.182 0.000 0.759 24 L CB -0.242 41.746 42.059 -0.118 0.000 0.914 24 L HN 0.180 nan 8.230 nan 0.000 0.439 25 I N 0.050 120.495 120.570 -0.209 0.000 2.286 25 I HA -0.307 3.863 4.170 0.001 0.000 0.248 25 I C 2.184 178.146 176.117 -0.258 0.000 1.115 25 I CA 1.376 62.547 61.300 -0.215 0.000 1.392 25 I CB -0.291 37.568 38.000 -0.236 0.000 1.065 25 I HN 0.304 nan 8.210 nan 0.000 0.418 26 D N 0.521 120.696 120.400 -0.375 0.000 2.117 26 D HA -0.204 4.436 4.640 0.001 0.000 0.197 26 D C 2.214 178.426 176.300 -0.145 0.000 0.987 26 D CA 1.579 55.407 54.000 -0.287 0.000 0.829 26 D CB 0.110 40.747 40.800 -0.271 0.000 0.961 26 D HN 0.330 nan 8.370 nan 0.000 0.460 27 Q N -1.138 118.568 119.800 -0.157 0.000 2.250 27 Q HA 0.221 4.562 4.340 0.001 0.000 0.200 27 Q C 1.097 177.051 176.000 -0.076 0.000 0.941 27 Q CA 0.489 56.232 55.803 -0.099 0.000 0.872 27 Q CB 0.602 29.270 28.738 -0.116 0.000 0.965 27 Q HN 0.287 nan 8.270 nan 0.000 0.480 28 L N -0.302 120.869 121.223 -0.087 0.000 3.168 28 L HA 0.399 4.740 4.340 0.001 0.000 0.277 28 L C 0.530 177.365 176.870 -0.058 0.000 1.245 28 L CA -0.724 54.079 54.840 -0.063 0.000 1.035 28 L CB 0.826 42.849 42.059 -0.060 0.000 1.399 28 L HN -0.022 nan 8.230 nan 0.000 0.580 29 G N 1.174 109.934 108.800 -0.067 0.000 2.403 29 G HA2 0.454 4.415 3.960 0.001 0.000 0.259 29 G HA3 0.454 4.415 3.960 0.001 0.000 0.259 29 G C -2.484 172.397 174.900 -0.032 0.000 1.244 29 G CA -0.693 44.374 45.100 -0.055 0.000 0.849 29 G HN -0.055 nan 8.290 nan 0.000 0.532 30 P HA 0.313 nan 4.420 nan 0.000 0.271 30 P C -0.645 176.640 177.300 -0.025 0.000 1.220 30 P CA -0.338 62.749 63.100 -0.021 0.000 0.768 30 P CB 1.602 33.296 31.700 -0.010 0.000 0.848 31 V N 2.813 122.710 119.914 -0.029 0.000 2.668 31 V HA 0.425 4.546 4.120 0.001 0.000 0.304 31 V C -0.138 175.943 176.094 -0.021 0.000 1.071 31 V CA -0.486 61.797 62.300 -0.029 0.000 0.894 31 V CB 1.905 33.702 31.823 -0.042 0.000 1.008 31 V HN 0.734 nan 8.190 nan 0.000 0.425 32 S N 6.031 121.722 115.700 -0.015 0.000 2.593 32 S HA 0.329 4.800 4.470 0.001 0.000 0.269 32 S C 1.084 175.680 174.600 -0.008 0.000 1.334 32 S CA 0.034 58.229 58.200 -0.008 0.000 1.015 32 S CB 1.010 64.207 63.200 -0.005 0.000 0.912 32 S HN 0.867 nan 8.310 nan 0.000 0.541 33 R N 0.441 120.940 120.500 -0.002 0.000 2.083 33 R HA -0.013 4.328 4.340 0.001 0.000 0.237 33 R C 1.815 178.114 176.300 -0.002 0.000 1.137 33 R CA 1.985 58.085 56.100 0.001 0.000 0.951 33 R CB -0.574 29.731 30.300 0.008 0.000 0.851 33 R HN 0.795 nan 8.270 nan 0.000 0.434 34 I N 0.094 120.662 120.570 -0.002 0.000 3.291 34 I HA -0.126 4.045 4.170 0.001 0.000 0.279 34 I C 1.047 177.160 176.117 -0.007 0.000 1.294 34 I CA 0.648 61.946 61.300 -0.003 0.000 1.428 34 I CB -0.136 37.863 38.000 -0.002 0.000 1.070 34 I HN 0.068 nan 8.210 nan 0.000 0.478 35 D N 0.997 121.392 120.400 -0.009 0.000 2.194 35 D HA -0.020 4.620 4.640 0.001 0.000 0.204 35 D C 2.284 178.574 176.300 -0.017 0.000 0.964 35 D CA 0.938 54.929 54.000 -0.014 0.000 0.846 35 D CB 0.147 40.937 40.800 -0.016 0.000 0.962 35 D HN 0.220 nan 8.370 nan 0.000 0.490 36 L N -0.392 120.821 121.223 -0.017 0.000 2.109 36 L HA -0.071 4.270 4.340 0.001 0.000 0.207 36 L C 2.383 179.245 176.870 -0.013 0.000 1.086 36 L CA 0.593 55.422 54.840 -0.019 0.000 0.760 36 L CB -0.365 41.684 42.059 -0.016 0.000 0.910 36 L HN 0.004 nan 8.230 nan 0.000 0.437 37 S N 0.483 116.178 115.700 -0.009 0.000 2.383 37 S HA -0.220 4.250 4.470 0.001 0.000 0.229 37 S C 2.095 176.691 174.600 -0.008 0.000 1.030 37 S CA 1.888 60.084 58.200 -0.006 0.000 1.002 37 S CB -0.063 63.135 63.200 -0.004 0.000 0.829 37 S HN 0.524 nan 8.310 nan 0.000 0.467 38 R N 0.014 120.508 120.500 -0.010 0.000 2.140 38 R HA 0.248 4.588 4.340 0.001 0.000 0.213 38 R C 2.228 178.520 176.300 -0.014 0.000 1.059 38 R CA 0.867 56.961 56.100 -0.010 0.000 1.000 38 R CB -0.583 29.712 30.300 -0.010 0.000 0.910 38 R HN 0.330 nan 8.270 nan 0.000 0.455 39 L N 0.884 122.097 121.223 -0.018 0.000 2.023 39 L HA 0.073 4.414 4.340 0.001 0.000 0.205 39 L C 2.712 179.568 176.870 -0.023 0.000 1.073 39 L CA 1.400 56.226 54.840 -0.023 0.000 0.745 39 L CB -0.428 41.612 42.059 -0.031 0.000 0.900 39 L HN 0.402 nan 8.230 nan 0.000 0.435 40 A N -1.464 121.343 122.820 -0.022 0.000 2.066 40 A HA -0.188 4.132 4.320 0.001 0.000 0.218 40 A C 1.446 179.022 177.584 -0.012 0.000 1.157 40 A CA 0.845 52.870 52.037 -0.019 0.000 0.670 40 A CB -0.259 18.732 19.000 -0.015 0.000 0.804 40 A HN 0.561 nan 8.150 nan 0.000 0.453 41 Q N -2.256 117.538 119.800 -0.010 0.000 2.493 41 Q HA -0.163 4.178 4.340 0.001 0.000 0.278 41 Q C -1.240 174.757 176.000 -0.005 0.000 1.216 41 Q CA 0.122 55.920 55.803 -0.007 0.000 0.875 41 Q CB -1.538 27.196 28.738 -0.008 0.000 1.262 41 Q HN 0.404 nan 8.270 nan 0.000 0.468 42 L N 0.045 121.266 121.223 -0.003 0.000 2.375 42 L HA 0.775 5.116 4.340 0.001 0.000 0.268 42 L C 0.822 177.692 176.870 -0.001 0.000 1.058 42 L CA 0.349 55.188 54.840 -0.001 0.000 0.803 42 L CB 0.470 42.530 42.059 0.002 0.000 1.212 42 L HN 0.255 nan 8.230 nan 0.000 0.451 43 A N 2.460 125.280 122.820 -0.001 0.000 2.507 43 A HA 0.295 4.616 4.320 0.001 0.000 0.235 43 A C -1.515 176.069 177.584 -0.001 0.000 1.070 43 A CA -0.401 51.635 52.037 -0.001 0.000 0.768 43 A CB -0.631 18.368 19.000 -0.001 0.000 1.011 43 A HN 0.738 nan 8.150 nan 0.000 0.502 44 P HA -0.155 nan 4.420 nan 0.000 0.216 44 P C 1.532 178.832 177.300 -0.000 0.000 1.150 44 P CA 2.154 65.253 63.100 -0.000 0.000 0.837 44 P CB 0.084 31.783 31.700 -0.001 0.000 0.786 45 A N -0.672 122.147 122.820 -0.003 0.000 1.972 45 A HA -0.146 4.175 4.320 0.001 0.000 0.219 45 A C 2.274 179.856 177.584 -0.002 0.000 1.169 45 A CA 1.963 53.997 52.037 -0.006 0.000 0.635 45 A CB -1.393 17.602 19.000 -0.008 0.000 0.810 45 A HN 0.151 nan 8.150 nan 0.000 0.446 46 S N -0.340 115.361 115.700 0.002 0.000 2.371 46 S HA -0.079 4.391 4.470 0.001 0.000 0.224 46 S C 1.754 176.361 174.600 0.013 0.000 1.029 46 S CA 1.269 59.472 58.200 0.006 0.000 0.978 46 S CB -0.378 62.826 63.200 0.006 0.000 0.833 46 S HN 0.449 nan 8.310 nan 0.000 0.466 47 I N 1.892 122.469 120.570 0.012 0.000 2.179 47 I HA -0.177 3.993 4.170 0.001 0.000 0.242 47 I C 2.539 178.672 176.117 0.027 0.000 1.088 47 I CA 1.391 62.702 61.300 0.017 0.000 1.357 47 I CB -0.731 37.275 38.000 0.010 0.000 1.051 47 I HN 0.208 nan 8.210 nan 0.000 0.409 48 T N -0.268 114.298 114.554 0.022 0.000 2.759 48 T HA -0.248 4.102 4.350 0.001 0.000 0.269 48 T C 1.976 176.702 174.700 0.044 0.000 1.042 48 T CA 1.598 63.715 62.100 0.029 0.000 1.140 48 T CB -0.152 68.718 68.868 0.004 0.000 0.864 48 T HN 0.137 nan 8.240 nan 0.000 0.455 49 K N 0.635 121.049 120.400 0.023 0.000 2.025 49 K HA 0.130 4.450 4.320 0.001 0.000 0.207 49 K C 2.048 178.689 176.600 0.067 0.000 1.049 49 K CA 1.021 57.327 56.287 0.031 0.000 0.933 49 K CB -0.351 32.155 32.500 0.010 0.000 0.714 49 K HN 0.263 nan 8.250 nan 0.000 0.438 50 I N -0.147 120.454 120.570 0.051 0.000 2.315 50 I HA -0.234 3.937 4.170 0.001 0.000 0.248 50 I C 1.781 177.936 176.117 0.063 0.000 1.117 50 I CA 0.779 62.109 61.300 0.051 0.000 1.404 50 I CB 0.084 38.106 38.000 0.038 0.000 1.071 50 I HN -0.030 nan 8.210 nan 0.000 0.419 51 V N -0.181 119.774 119.914 0.069 0.000 2.591 51 V HA -0.267 3.854 4.120 0.001 0.000 0.249 51 V C 2.398 178.537 176.094 0.075 0.000 1.053 51 V CA 1.596 63.935 62.300 0.065 0.000 1.068 51 V CB -0.886 30.969 31.823 0.053 0.000 0.689 51 V HN 0.505 nan 8.190 nan 0.000 0.462 52 H N 0.646 119.718 119.070 0.005 0.000 2.353 52 H HA -0.055 4.502 4.556 0.001 0.000 0.300 52 H C 1.374 176.697 175.328 -0.008 0.000 1.090 52 H CA 1.179 57.225 56.048 -0.003 0.000 1.327 52 H CB 0.355 30.116 29.762 -0.002 0.000 1.383 52 H HN 0.533 nan 8.280 nan 0.000 0.508 56 E N 1.323 121.346 120.200 -0.295 0.000 2.204 56 E HA -0.073 4.278 4.350 0.001 0.000 0.195 56 E C 1.845 178.380 176.600 -0.108 0.000 0.990 56 E CA 1.461 57.721 56.400 -0.233 0.000 0.821 56 E CB 0.217 29.836 29.700 -0.135 0.000 0.750 56 E HN 0.518 nan 8.360 nan 0.000 0.477 57 A N -0.374 122.448 122.820 0.002 0.000 2.081 57 A HA -0.054 4.266 4.320 0.001 0.000 0.214 57 A C 0.304 178.168 177.584 0.467 0.000 1.158 57 A CA 0.413 52.585 52.037 0.226 0.000 0.724 57 A CB -0.150 18.984 19.000 0.223 0.000 0.826 57 A HN 0.326 nan 8.150 nan 0.000 0.463 58 H N -2.333 116.910 119.070 0.289 0.000 3.022 58 H HA -0.136 4.420 4.556 0.001 0.000 0.258 58 H C 0.878 176.563 175.328 0.595 0.000 1.212 58 H CA 1.012 57.259 56.048 0.332 0.000 1.126 58 H CB -1.810 28.073 29.762 0.203 0.000 1.267 58 H HN 0.482 nan 8.280 nan 0.000 0.345 59 L N -0.512 120.971 121.223 0.434 0.000 2.217 59 L HA 0.028 4.369 4.340 0.001 0.000 0.211 59 L C 0.957 177.946 176.870 0.198 0.000 1.107 59 L CA 0.933 55.820 54.840 0.078 0.000 0.783 59 L CB 0.405 42.346 42.059 -0.196 0.000 0.919 59 L HN -0.046 nan 8.230 nan 0.000 0.442 60 V N -1.057 118.974 119.914 0.195 0.000 2.876 60 V HA 0.322 4.442 4.120 0.001 0.000 0.312 60 V C -0.681 175.495 176.094 0.137 0.000 1.085 60 V CA -0.712 61.669 62.300 0.135 0.000 0.945 60 V CB 2.230 34.098 31.823 0.075 0.000 1.017 60 V HN 0.052 nan 8.190 nan 0.000 0.428 61 Q N 1.950 121.816 119.800 0.111 0.000 2.309 61 Q HA 0.472 4.812 4.340 0.001 0.000 0.264 61 Q C -0.675 175.361 176.000 0.060 0.000 1.008 61 Q CA -0.492 55.375 55.803 0.106 0.000 0.853 61 Q CB 1.977 30.782 28.738 0.112 0.000 1.314 61 Q HN 0.748 nan 8.270 nan 0.000 0.448 62 E N 2.961 123.194 120.200 0.055 0.000 2.277 62 E HA 0.432 4.783 4.350 0.001 0.000 0.274 62 E C -0.829 175.792 176.600 0.034 0.000 1.022 62 E CA -0.243 56.179 56.400 0.036 0.000 0.853 62 E CB 0.976 30.695 29.700 0.032 0.000 1.086 62 E HN 0.550 nan 8.360 nan 0.000 0.397 78 L N 0.605 121.821 121.223 -0.013 0.000 2.292 78 L HA 0.723 5.063 4.340 0.001 0.000 0.284 78 L C 0.082 176.931 176.870 -0.034 0.000 1.065 78 L CA -0.753 54.076 54.840 -0.019 0.000 0.806 78 L CB 0.797 42.840 42.059 -0.026 0.000 1.175 78 L HN 0.321 nan 8.230 nan 0.000 0.431 79 V N 4.019 123.919 119.914 -0.025 0.000 2.709 79 V HA 0.414 4.534 4.120 0.001 0.000 0.308 79 V C 0.033 176.109 176.094 -0.031 0.000 1.062 79 V CA -0.792 61.490 62.300 -0.030 0.000 0.901 79 V CB 3.005 34.827 31.823 -0.002 0.000 1.003 79 V HN 0.456 nan 8.190 nan 0.000 0.425 80 V N 3.965 123.836 119.914 -0.072 0.000 2.843 80 V HA 0.175 4.295 4.120 0.001 0.000 0.305 80 V C 0.411 176.541 176.094 0.061 0.000 1.065 80 V CA 0.144 62.404 62.300 -0.068 0.000 1.116 80 V CB 1.330 33.047 31.823 -0.176 0.000 0.968 80 V HN 0.807 nan 8.190 nan 0.000 0.487 81 E N 2.388 122.673 120.200 0.143 0.000 2.114 81 E HA 0.278 4.629 4.350 0.001 0.000 0.266 81 E C 0.396 177.179 176.600 0.305 0.000 0.896 81 E CA 0.079 56.614 56.400 0.224 0.000 0.750 81 E CB 1.718 31.596 29.700 0.297 0.000 1.121 81 E HN 0.908 nan 8.360 nan 0.000 0.413 82 T N -0.000 114.709 114.554 0.258 0.000 2.969 82 T HA 0.183 4.534 4.350 0.001 0.000 0.250 82 T C 1.210 176.070 174.700 0.267 0.000 1.021 82 T CA -0.083 62.181 62.100 0.273 0.000 1.003 82 T CB 0.316 69.309 68.868 0.209 0.000 1.040 82 T HN 0.267 nan 8.240 nan 0.000 0.492 83 E N 1.717 122.032 120.200 0.191 0.000 2.016 83 E HA 0.147 4.497 4.350 0.001 0.000 0.190 83 E C 1.908 178.486 176.600 -0.037 0.000 0.985 83 E CA 0.901 57.363 56.400 0.103 0.000 0.802 83 E CB -0.145 29.597 29.700 0.071 0.000 0.762 83 E HN 0.578 nan 8.360 nan 0.000 0.448 84 A N 0.322 123.082 122.820 -0.100 0.000 2.281 84 A HA -0.009 4.311 4.320 0.001 0.000 0.231 84 A C -0.810 176.387 177.584 -0.643 0.000 1.317 84 A CA 0.160 51.972 52.037 -0.374 0.000 0.959 84 A CB -0.799 17.969 19.000 -0.387 0.000 0.900 84 A HN 0.217 nan 8.150 nan 0.000 0.497 85 W N -0.396 120.734 121.300 -0.285 0.000 2.884 85 W HA 0.472 5.132 4.660 0.001 0.000 0.336 85 W C -0.452 175.987 176.519 -0.134 0.000 1.038 85 W CA -0.416 56.831 57.345 -0.165 0.000 1.247 85 W CB 1.054 30.518 29.460 0.006 0.000 1.351 85 W HN 0.221 nan 8.180 nan 0.000 0.446 86 H N 1.868 121.136 119.070 0.329 0.000 2.616 86 H HA 0.483 5.040 4.556 0.001 0.000 0.353 86 H C -0.682 174.852 175.328 0.344 0.000 1.170 86 H CA -0.924 55.274 56.048 0.250 0.000 1.212 86 H CB 2.077 31.915 29.762 0.127 0.000 1.653 86 H HN 0.553 nan 8.280 nan 0.000 0.537 87 Y N -0.972 119.516 120.300 0.312 0.000 2.634 87 Y HA 0.578 5.128 4.550 0.001 0.000 0.340 87 Y C -1.504 174.511 175.900 0.192 0.000 1.058 87 Y CA -1.252 56.983 58.100 0.226 0.000 1.081 87 Y CB 1.637 40.207 38.460 0.184 0.000 1.295 87 Y HN 0.407 nan 8.280 nan 0.000 0.487 88 L N 3.592 124.954 121.223 0.231 0.000 2.298 88 L HA 0.523 4.864 4.340 0.001 0.000 0.284 88 L C -0.787 176.148 176.870 0.107 0.000 1.013 88 L CA -0.579 54.313 54.840 0.086 0.000 0.824 88 L CB 1.535 43.700 42.059 0.177 0.000 1.221 88 L HN 0.989 nan 8.230 nan 0.000 0.418 89 S N 4.791 120.474 115.700 -0.028 0.000 2.462 89 S HA 0.692 5.163 4.470 0.001 0.000 0.294 89 S C -0.728 173.840 174.600 -0.054 0.000 1.144 89 S CA -0.826 57.403 58.200 0.050 0.000 1.088 89 S CB 2.159 65.416 63.200 0.095 0.000 1.009 89 S HN 0.426 nan 8.310 nan 0.000 0.484 90 L N 2.689 123.899 121.223 -0.021 0.000 2.349 90 L HA 0.570 4.910 4.340 0.001 0.000 0.278 90 L C -0.008 176.850 176.870 -0.020 0.000 0.996 90 L CA -0.389 54.421 54.840 -0.051 0.000 0.825 90 L CB 1.833 43.859 42.059 -0.055 0.000 1.243 90 L HN 0.870 nan 8.230 nan 0.000 0.412 91 R N 4.381 124.878 120.500 -0.004 0.000 2.338 91 R HA 0.732 5.072 4.340 0.001 0.000 0.317 91 R C -1.341 174.998 176.300 0.066 0.000 0.968 91 R CA -0.410 55.685 56.100 -0.008 0.000 0.849 91 R CB 0.921 31.142 30.300 -0.132 0.000 1.128 91 R HN 0.618 nan 8.270 nan 0.000 0.448 92 I N 4.495 125.095 120.570 0.050 0.000 2.362 92 I HA 0.247 4.417 4.170 0.001 0.000 0.289 92 I C 0.160 176.367 176.117 0.151 0.000 0.994 92 I CA -0.271 61.086 61.300 0.094 0.000 1.158 92 I CB 1.864 39.888 38.000 0.041 0.000 1.315 92 I HN 0.878 nan 8.210 nan 0.000 0.451 93 S N 6.045 121.860 115.700 0.192 0.000 2.841 93 S HA 0.492 4.962 4.470 0.001 0.000 0.274 93 S C 0.117 174.793 174.600 0.126 0.000 1.044 93 S CA -0.880 57.407 58.200 0.146 0.000 0.952 93 S CB 0.817 64.029 63.200 0.019 0.000 1.331 93 S HN 0.582 nan 8.310 nan 0.000 0.610 94 R N 0.647 120.958 120.500 -0.315 0.000 2.357 94 R HA 0.384 4.725 4.340 0.001 0.000 0.330 94 R C 1.003 177.146 176.300 -0.262 0.000 1.102 94 R CA 1.027 56.718 56.100 -0.681 0.000 0.974 94 R CB -0.758 28.823 30.300 -1.198 0.000 1.002 94 R HN 1.257 nan 8.270 nan 0.000 0.463 95 G N 2.898 111.621 108.800 -0.129 0.000 2.168 95 G HA2 -0.279 3.682 3.960 0.001 0.000 0.257 95 G HA3 -0.279 3.682 3.960 0.001 0.000 0.257 95 G C -0.166 174.782 174.900 0.080 0.000 0.997 95 G CA 0.477 45.582 45.100 0.010 0.000 0.708 95 G HN 0.624 nan 8.290 nan 0.000 0.520 96 E N -1.205 119.074 120.200 0.132 0.000 2.408 96 E HA 0.679 5.029 4.350 0.001 0.000 0.275 96 E C -0.972 175.672 176.600 0.073 0.000 0.935 96 E CA -0.920 55.514 56.400 0.056 0.000 0.775 96 E CB 2.641 32.407 29.700 0.111 0.000 1.277 96 E HN 0.245 nan 8.360 nan 0.000 0.455 97 I N 1.465 121.973 120.570 -0.104 0.000 2.608 97 I HA 0.462 4.633 4.170 0.001 0.000 0.295 97 I C -1.668 174.321 176.117 -0.213 0.000 1.049 97 I CA -0.698 60.551 61.300 -0.085 0.000 1.063 97 I CB 0.975 38.866 38.000 -0.182 0.000 1.248 97 I HN 0.356 nan 8.210 nan 0.000 0.424 98 F N 7.145 126.987 119.950 -0.180 0.000 2.507 98 F HA 0.620 5.148 4.527 0.001 0.000 0.325 98 F C -1.001 174.645 175.800 -0.257 0.000 1.116 98 F CA -0.589 57.294 58.000 -0.194 0.000 0.930 98 F CB 1.815 40.716 39.000 -0.165 0.000 1.146 98 F HN 0.111 nan 8.300 nan 0.000 0.447 99 L N 3.501 124.597 121.223 -0.212 0.000 2.409 99 L HA 0.856 5.196 4.340 0.001 0.000 0.272 99 L C -0.616 175.977 176.870 -0.462 0.000 0.980 99 L CA -0.688 53.853 54.840 -0.498 0.000 0.826 99 L CB 1.874 43.351 42.059 -0.970 0.000 1.268 99 L HN 0.671 nan 8.230 nan 0.000 0.407 100 A N 3.693 126.301 122.820 -0.353 0.000 2.381 100 A HA 0.787 5.107 4.320 0.001 0.000 0.299 100 A C -0.989 176.494 177.584 -0.168 0.000 1.049 100 A CA -0.429 51.500 52.037 -0.181 0.000 0.715 100 A CB 1.037 19.954 19.000 -0.139 0.000 1.222 100 A HN 0.652 nan 8.150 nan 0.000 0.428 101 L N 2.687 123.908 121.223 -0.004 0.000 2.349 101 L HA 0.512 4.852 4.340 0.001 0.000 0.275 101 L C 0.432 177.150 176.870 -0.255 0.000 1.115 101 L CA 0.030 54.815 54.840 -0.091 0.000 0.820 101 L CB 0.794 42.833 42.059 -0.033 0.000 1.135 101 L HN 0.781 nan 8.230 nan 0.000 0.445 102 R N 1.684 121.974 120.500 -0.350 0.000 2.740 102 R HA 0.323 4.664 4.340 0.001 0.000 0.273 102 R C -1.333 175.016 176.300 0.081 0.000 0.998 102 R CA -1.157 54.790 56.100 -0.256 0.000 0.900 102 R CB 1.896 31.907 30.300 -0.482 0.000 1.223 102 R HN 0.502 nan 8.270 nan 0.000 0.466 103 D N 0.816 121.356 120.400 0.232 0.000 2.346 103 D HA 0.004 4.645 4.640 0.001 0.000 0.236 103 D C 1.380 177.928 176.300 0.415 0.000 1.259 103 D CA 0.180 54.390 54.000 0.350 0.000 0.898 103 D CB 0.707 41.659 40.800 0.253 0.000 1.178 103 D HN 0.354 nan 8.370 nan 0.000 0.457 104 L N 0.397 121.849 121.223 0.381 0.000 2.201 104 L HA -0.126 4.215 4.340 0.001 0.000 0.212 104 L C 2.121 179.156 176.870 0.274 0.000 1.105 104 L CA 0.945 55.984 54.840 0.332 0.000 0.775 104 L CB -0.529 41.678 42.059 0.246 0.000 0.913 104 L HN 0.355 nan 8.230 nan 0.000 0.440 105 S N -0.706 115.144 115.700 0.250 0.000 2.555 105 S HA -0.097 4.373 4.470 0.001 0.000 0.230 105 S C 1.313 176.062 174.600 0.249 0.000 0.978 105 S CA 0.413 58.740 58.200 0.212 0.000 0.934 105 S CB -0.273 63.031 63.200 0.173 0.000 0.766 105 S HN 0.595 nan 8.310 nan 0.000 0.533 106 S N -0.369 115.518 115.700 0.311 0.000 3.586 106 S HA -0.250 4.220 4.470 0.001 0.000 0.309 106 S C -0.011 174.687 174.600 0.164 0.000 1.195 106 S CA 0.972 59.354 58.200 0.304 0.000 0.895 106 S CB -2.541 60.893 63.200 0.389 0.000 0.983 106 S HN 0.896 nan 8.310 nan 0.000 0.563 107 K N 1.266 121.752 120.400 0.143 0.000 2.350 107 K HA 0.330 4.651 4.320 0.001 0.000 0.279 107 K C 0.512 177.127 176.600 0.025 0.000 1.027 107 K CA -0.612 55.726 56.287 0.086 0.000 0.969 107 K CB 0.442 33.002 32.500 0.100 0.000 0.954 107 K HN 0.557 nan 8.250 nan 0.000 0.474 108 L N 5.121 126.334 121.223 -0.017 0.000 2.490 108 L HA -0.070 4.270 4.340 0.001 0.000 0.274 108 L C 0.838 177.669 176.870 -0.064 0.000 1.201 108 L CA -0.050 54.753 54.840 -0.062 0.000 0.869 108 L CB 1.085 43.104 42.059 -0.065 0.000 1.123 108 L HN 0.652 nan 8.230 nan 0.000 0.484 109 V N 4.975 124.820 119.914 -0.114 0.000 2.743 109 V HA 0.099 4.220 4.120 0.001 0.000 0.237 109 V C -0.051 175.938 176.094 -0.175 0.000 1.113 109 V CA 0.705 62.914 62.300 -0.151 0.000 1.141 109 V CB 1.297 32.950 31.823 -0.284 0.000 0.873 109 V HN 0.686 nan 8.190 nan 0.000 0.486 110 V N -1.387 118.419 119.914 -0.179 0.000 3.023 110 V HA 0.610 4.730 4.120 0.001 0.000 0.294 110 V C -1.283 174.786 176.094 -0.042 0.000 1.324 110 V CA -0.863 61.302 62.300 -0.226 0.000 0.979 110 V CB 2.098 33.535 31.823 -0.642 0.000 1.093 110 V HN 0.319 nan 8.190 nan 0.000 0.434 111 E N 1.579 121.771 120.200 -0.013 0.000 2.191 111 E HA 0.589 4.939 4.350 0.001 0.000 0.263 111 E C -0.986 175.693 176.600 0.131 0.000 0.881 111 E CA -0.463 55.978 56.400 0.069 0.000 0.757 111 E CB 1.967 31.673 29.700 0.011 0.000 1.147 111 E HN 0.855 nan 8.360 nan 0.000 0.414 112 E N 1.345 121.679 120.200 0.223 0.000 2.244 112 E HA 0.453 4.803 4.350 0.001 0.000 0.266 112 E C -1.368 175.149 176.600 -0.138 0.000 0.914 112 E CA -0.804 55.674 56.400 0.131 0.000 0.794 112 E CB 1.915 31.832 29.700 0.361 0.000 1.210 112 E HN 0.454 nan 8.360 nan 0.000 0.414 113 S N 2.259 117.792 115.700 -0.277 0.000 2.779 113 S HA 0.386 4.857 4.470 0.001 0.000 0.293 113 S C -0.523 173.773 174.600 -0.507 0.000 1.150 113 S CA -1.100 56.715 58.200 -0.641 0.000 1.057 113 S CB 1.570 64.152 63.200 -1.029 0.000 1.021 113 S HN 0.302 nan 8.310 nan 0.000 0.485 114 Q N 1.452 120.933 119.800 -0.532 0.000 2.252 114 Q HA 0.540 4.881 4.340 0.001 0.000 0.256 114 Q C -0.464 175.311 176.000 -0.375 0.000 1.020 114 Q CA -0.807 54.722 55.803 -0.457 0.000 0.913 114 Q CB 1.316 29.611 28.738 -0.739 0.000 1.286 114 Q HN 0.818 nan 8.270 nan 0.000 0.480 115 E N 0.339 120.395 120.200 -0.241 0.000 2.319 115 E HA 0.393 4.743 4.350 0.001 0.000 0.268 115 E C -1.024 175.564 176.600 -0.019 0.000 1.050 115 E CA -0.091 56.249 56.400 -0.100 0.000 0.878 115 E CB 0.573 30.254 29.700 -0.032 0.000 1.066 115 E HN 0.355 nan 8.360 nan 0.000 0.406 116 L N 3.128 124.386 121.223 0.059 0.000 2.457 116 L HA 0.419 4.759 4.340 0.001 0.000 0.259 116 L C -0.621 176.386 176.870 0.227 0.000 1.377 116 L CA -0.885 54.052 54.840 0.162 0.000 0.887 116 L CB 1.139 43.310 42.059 0.186 0.000 1.085 116 L HN 0.638 nan 8.230 nan 0.000 0.509 117 A N 1.153 124.059 122.820 0.142 0.000 2.587 117 A HA 0.080 4.400 4.320 0.001 0.000 0.235 117 A C 1.216 178.896 177.584 0.160 0.000 1.044 117 A CA 0.227 52.328 52.037 0.105 0.000 0.754 117 A CB 0.292 19.331 19.000 0.065 0.000 0.968 117 A HN 0.756 nan 8.150 nan 0.000 0.509 118 L N 0.676 121.938 121.223 0.064 0.000 2.275 118 L HA -0.031 4.310 4.340 0.001 0.000 0.215 118 L C 0.899 177.820 176.870 0.084 0.000 1.119 118 L CA 1.244 56.095 54.840 0.019 0.000 0.790 118 L CB -0.426 41.573 42.059 -0.101 0.000 0.919 118 L HN 0.610 nan 8.230 nan 0.000 0.443 119 K N -0.453 119.988 120.400 0.068 0.000 2.482 119 K HA 0.472 4.793 4.320 0.001 0.000 0.251 119 K C -1.368 175.262 176.600 0.051 0.000 0.936 119 K CA -0.573 55.750 56.287 0.059 0.000 0.791 119 K CB 2.670 35.190 32.500 0.032 0.000 1.213 119 K HN -0.215 nan 8.250 nan 0.000 0.428 120 D N -0.172 120.256 120.400 0.046 0.000 2.643 120 D HA 0.183 4.823 4.640 0.001 0.000 0.283 120 D C -0.095 176.214 176.300 0.015 0.000 1.242 120 D CA -0.389 53.628 54.000 0.029 0.000 0.863 120 D CB 1.712 42.531 40.800 0.032 0.000 1.382 120 D HN 0.335 nan 8.370 nan 0.000 0.444 121 D N -0.326 120.077 120.400 0.005 0.000 2.097 121 D HA 0.032 4.672 4.640 0.001 0.000 0.197 121 D C 0.295 176.591 176.300 -0.007 0.000 0.984 121 D CA 1.017 55.016 54.000 -0.002 0.000 0.826 121 D CB 0.063 40.859 40.800 -0.007 0.000 0.973 121 D HN 0.287 nan 8.370 nan 0.000 0.460 122 L N 1.936 123.150 121.223 -0.015 0.000 2.290 122 L HA 0.333 4.673 4.340 0.001 0.000 0.284 122 L C -2.205 174.651 176.870 -0.024 0.000 1.078 122 L CA -1.972 52.853 54.840 -0.025 0.000 0.815 122 L CB 0.701 42.734 42.059 -0.043 0.000 1.162 122 L HN -0.258 nan 8.230 nan 0.000 0.435 123 P HA -0.089 nan 4.420 nan 0.000 0.267 123 P C 0.589 177.860 177.300 -0.049 0.000 1.201 123 P CA -0.294 62.791 63.100 -0.026 0.000 0.775 123 P CB 0.643 32.328 31.700 -0.025 0.000 0.854 124 L N 3.339 124.526 121.223 -0.061 0.000 2.042 124 L HA -0.155 4.185 4.340 0.001 0.000 0.210 124 L C 2.053 178.853 176.870 -0.117 0.000 1.076 124 L CA 1.632 56.404 54.840 -0.113 0.000 0.749 124 L CB -1.258 40.690 42.059 -0.185 0.000 0.893 124 L HN 0.377 nan 8.230 nan 0.000 0.432 125 L N -0.792 120.374 121.223 -0.095 0.000 2.081 125 L HA -0.296 4.044 4.340 0.001 0.000 0.212 125 L C 2.080 178.887 176.870 -0.105 0.000 1.080 125 L CA 1.839 56.624 54.840 -0.092 0.000 0.754 125 L CB -0.516 41.503 42.059 -0.066 0.000 0.893 125 L HN 0.406 nan 8.230 nan 0.000 0.433 126 D N -0.493 119.849 120.400 -0.096 0.000 2.097 126 D HA -0.175 4.466 4.640 0.001 0.000 0.197 126 D C 2.245 178.457 176.300 -0.145 0.000 0.984 126 D CA 1.160 55.094 54.000 -0.110 0.000 0.826 126 D CB -0.161 40.592 40.800 -0.078 0.000 0.973 126 D HN 0.281 nan 8.370 nan 0.000 0.460 127 R N 0.172 120.591 120.500 -0.136 0.000 2.115 127 R HA 0.032 4.373 4.340 0.001 0.000 0.230 127 R C 2.496 178.708 176.300 -0.146 0.000 1.111 127 R CA 0.528 56.521 56.100 -0.177 0.000 0.976 127 R CB -0.195 30.034 30.300 -0.118 0.000 0.870 127 R HN 0.223 nan 8.270 nan 0.000 0.445 128 I N 0.204 120.716 120.570 -0.097 0.000 2.252 128 I HA -0.258 3.913 4.170 0.001 0.000 0.245 128 I C 2.039 178.083 176.117 -0.120 0.000 1.102 128 I CA 1.268 62.526 61.300 -0.070 0.000 1.385 128 I CB -0.191 37.751 38.000 -0.096 0.000 1.064 128 I HN 0.110 nan 8.210 nan 0.000 0.414 129 I N -0.119 120.339 120.570 -0.186 0.000 2.226 129 I HA -0.324 3.847 4.170 0.001 0.000 0.245 129 I C 2.779 178.747 176.117 -0.249 0.000 1.100 129 I CA 1.518 62.645 61.300 -0.288 0.000 1.374 129 I CB -0.376 37.341 38.000 -0.472 0.000 1.057 129 I HN 0.223 nan 8.210 nan 0.000 0.413 130 S N -0.118 115.446 115.700 -0.226 0.000 2.368 130 S HA -0.218 4.253 4.470 0.001 0.000 0.225 130 S C 2.162 176.640 174.600 -0.203 0.000 1.030 130 S CA 1.280 59.349 58.200 -0.218 0.000 0.999 130 S CB -0.355 62.684 63.200 -0.268 0.000 0.844 130 S HN 0.423 nan 8.310 nan 0.000 0.459 131 H N 0.692 119.687 119.070 -0.125 0.000 2.423 131 H HA 0.075 4.632 4.556 0.001 0.000 0.297 131 H C 2.119 177.356 175.328 -0.152 0.000 1.075 131 H CA 1.397 57.373 56.048 -0.119 0.000 1.342 131 H CB -0.314 29.371 29.762 -0.127 0.000 1.395 131 H HN 0.447 nan 8.280 nan 0.000 0.530 132 I N 0.462 120.964 120.570 -0.112 0.000 2.233 132 I HA -0.209 3.961 4.170 0.001 0.000 0.243 132 I C 2.067 177.972 176.117 -0.354 0.000 1.093 132 I CA 0.965 62.082 61.300 -0.304 0.000 1.380 132 I CB -0.094 37.735 38.000 -0.284 0.000 1.067 132 I HN 0.018 nan 8.210 nan 0.000 0.413 133 D N 0.613 120.926 120.400 -0.144 0.000 2.190 133 D HA -0.216 4.424 4.640 0.001 0.000 0.200 133 D C 2.232 178.533 176.300 0.002 0.000 0.992 133 D CA 1.292 55.290 54.000 -0.003 0.000 0.854 133 D CB -0.124 40.691 40.800 0.024 0.000 0.936 133 D HN 0.447 nan 8.370 nan 0.000 0.462 134 Q N -1.106 118.672 119.800 -0.035 0.000 2.163 134 Q HA -0.052 4.289 4.340 0.001 0.000 0.198 134 Q C 2.070 178.050 176.000 -0.034 0.000 0.954 134 Q CA 0.252 56.043 55.803 -0.020 0.000 0.851 134 Q CB -0.134 28.603 28.738 -0.001 0.000 0.928 134 Q HN 0.279 nan 8.270 nan 0.000 0.459 135 F N 0.696 120.525 119.950 -0.202 0.000 2.161 135 F HA -0.212 4.315 4.527 0.001 0.000 0.300 135 F C 1.631 177.390 175.800 -0.069 0.000 1.089 135 F CA 1.459 59.340 58.000 -0.197 0.000 1.282 135 F CB -0.179 38.669 39.000 -0.255 0.000 1.010 135 F HN -0.017 nan 8.300 nan 0.000 0.485 136 F N -0.293 119.707 119.950 0.084 0.000 2.163 136 F HA -0.155 4.373 4.527 0.001 0.000 0.297 136 F C 2.334 178.085 175.800 -0.082 0.000 1.094 136 F CA 0.735 58.740 58.000 0.008 0.000 1.290 136 F CB -0.562 38.486 39.000 0.081 0.000 1.017 136 F HN -0.120 nan 8.300 nan 0.000 0.483 137 I N -0.166 120.466 120.570 0.102 0.000 2.151 137 I HA -0.332 3.839 4.170 0.001 0.000 0.243 137 I C 2.738 178.785 176.117 -0.116 0.000 1.080 137 I CA 1.136 62.435 61.300 -0.002 0.000 1.339 137 I CB -0.433 37.556 38.000 -0.018 0.000 1.039 137 I HN 0.071 nan 8.210 nan 0.000 0.409 138 R N 0.597 120.935 120.500 -0.270 0.000 2.070 138 R HA -0.127 4.214 4.340 0.001 0.000 0.232 138 R C 1.384 177.346 176.300 -0.563 0.000 1.138 138 R CA 1.586 57.374 56.100 -0.520 0.000 0.936 138 R CB -0.480 29.307 30.300 -0.854 0.000 0.839 138 R HN 0.441 nan 8.270 nan 0.000 0.429 139 H N 0.513 119.425 119.070 -0.263 0.000 2.550 139 H HA 0.103 4.659 4.556 0.001 0.000 0.304 139 H C 1.351 176.607 175.328 -0.120 0.000 1.086 139 H CA -0.205 55.700 56.048 -0.239 0.000 1.089 139 H CB 0.412 29.924 29.762 -0.416 0.000 1.528 139 H HN 0.373 nan 8.280 nan 0.000 0.539 140 Q N 1.794 121.589 119.800 -0.008 0.000 2.124 140 Q HA -0.242 4.099 4.340 0.001 0.000 0.215 140 Q C 1.141 177.146 176.000 0.008 0.000 1.015 140 Q CA 1.884 57.692 55.803 0.008 0.000 0.890 140 Q CB 0.151 28.883 28.738 -0.011 0.000 0.966 140 Q HN 0.387 nan 8.270 nan 0.000 0.412 141 K N -0.331 120.073 120.400 0.006 0.000 2.486 141 K HA -0.043 4.278 4.320 0.001 0.000 0.194 141 K C 1.561 178.167 176.600 0.011 0.000 1.033 141 K CA 0.552 56.841 56.287 0.003 0.000 1.004 141 K CB 0.224 32.723 32.500 -0.002 0.000 0.798 141 K HN 0.144 nan 8.250 nan 0.000 0.495 142 K N 0.388 120.799 120.400 0.019 0.000 2.393 142 K HA 0.152 4.473 4.320 0.001 0.000 0.193 142 K C 0.393 177.014 176.600 0.034 0.000 1.026 142 K CA -0.078 56.208 56.287 -0.000 0.000 1.064 142 K CB 0.490 32.946 32.500 -0.073 0.000 0.833 142 K HN 0.025 nan 8.250 nan 0.000 0.521 143 L N 1.497 122.750 121.223 0.051 0.000 2.367 143 L HA 0.047 4.387 4.340 0.001 0.000 0.275 143 L C 0.511 177.440 176.870 0.098 0.000 1.129 143 L CA 0.156 55.048 54.840 0.088 0.000 0.839 143 L CB 1.047 43.108 42.059 0.004 0.000 1.133 143 L HN 0.148 nan 8.230 nan 0.000 0.453 144 E N 2.529 122.846 120.200 0.195 0.000 3.846 144 E HA 0.333 4.684 4.350 0.001 0.000 0.262 144 E C -0.603 175.912 176.600 -0.143 0.000 0.786 144 E CA -0.576 55.781 56.400 -0.072 0.000 1.620 144 E CB 0.640 30.145 29.700 -0.324 0.000 1.928 144 E HN 0.396 nan 8.360 nan 0.000 0.410 145 R N 0.749 121.062 120.500 -0.313 0.000 2.248 145 R HA 0.299 4.640 4.340 0.001 0.000 0.328 145 R C -0.965 175.345 176.300 0.016 0.000 1.067 145 R CA -0.263 55.683 56.100 -0.257 0.000 0.924 145 R CB 0.331 30.211 30.300 -0.700 0.000 1.013 145 R HN 0.230 nan 8.270 nan 0.000 0.454 146 L N 3.698 124.958 121.223 0.063 0.000 2.278 146 L HA 0.176 4.517 4.340 0.001 0.000 0.287 146 L C 1.240 178.237 176.870 0.212 0.000 1.072 146 L CA 0.513 55.445 54.840 0.153 0.000 0.819 146 L CB 1.177 43.249 42.059 0.021 0.000 1.176 146 L HN 0.855 nan 8.230 nan 0.000 0.435 147 T N -0.085 114.648 114.554 0.299 0.000 2.939 147 T HA 0.204 4.554 4.350 0.001 0.000 0.254 147 T C 0.600 175.397 174.700 0.162 0.000 1.041 147 T CA 0.599 62.853 62.100 0.256 0.000 1.142 147 T CB -0.137 68.877 68.868 0.244 0.000 0.874 147 T HN 0.684 nan 8.240 nan 0.000 0.452 148 S N -0.290 115.523 115.700 0.188 0.000 2.567 148 S HA 0.649 5.119 4.470 0.001 0.000 0.270 148 S C -1.494 173.194 174.600 0.147 0.000 1.152 148 S CA -1.258 56.993 58.200 0.084 0.000 0.835 148 S CB 0.996 64.241 63.200 0.074 0.000 1.115 148 S HN 0.354 nan 8.310 nan 0.000 0.459 149 I N 1.425 122.009 120.570 0.023 0.000 2.354 149 I HA 0.673 4.843 4.170 0.001 0.000 0.292 149 I C 0.074 176.224 176.117 0.055 0.000 0.989 149 I CA -0.872 60.477 61.300 0.082 0.000 1.188 149 I CB 1.764 39.795 38.000 0.052 0.000 1.342 149 I HN 0.908 nan 8.210 nan 0.000 0.457 150 A N 8.036 130.965 122.820 0.181 0.000 2.267 150 A HA 0.765 5.086 4.320 0.001 0.000 0.315 150 A C -0.466 177.190 177.584 0.120 0.000 1.297 150 A CA -0.415 51.736 52.037 0.190 0.000 0.865 150 A CB 0.245 19.397 19.000 0.254 0.000 1.165 150 A HN 0.671 nan 8.150 nan 0.000 0.513 151 I N 1.226 121.845 120.570 0.082 0.000 2.577 151 I HA 0.558 4.729 4.170 0.001 0.000 0.305 151 I C 0.229 176.378 176.117 0.053 0.000 0.986 151 I CA -0.313 61.014 61.300 0.045 0.000 1.189 151 I CB 2.279 40.291 38.000 0.019 0.000 1.355 151 I HN 0.490 nan 8.210 nan 0.000 0.476 152 T N 5.981 120.552 114.554 0.029 0.000 3.071 152 T HA 0.702 5.053 4.350 0.001 0.000 0.311 152 T C -1.231 173.470 174.700 0.002 0.000 1.042 152 T CA -0.444 61.669 62.100 0.021 0.000 1.028 152 T CB 1.405 70.278 68.868 0.008 0.000 1.068 152 T HN 0.382 nan 8.240 nan 0.000 0.451 153 L N 1.813 123.032 121.223 -0.007 0.000 2.794 153 L HA 0.785 5.126 4.340 0.001 0.000 0.261 153 L C -3.243 173.584 176.870 -0.073 0.000 0.989 153 L CA -2.523 52.317 54.840 -0.000 0.000 0.900 153 L CB -0.104 41.978 42.059 0.038 0.000 1.473 153 L HN 0.251 nan 8.230 nan 0.000 0.414 154 P HA 0.732 nan 4.420 nan 0.000 0.276 154 P C 0.077 177.412 177.300 0.058 0.000 1.252 154 P CA 0.361 63.419 63.100 -0.069 0.000 0.802 154 P CB 1.334 33.062 31.700 0.047 0.000 1.035 155 G N -0.101 108.800 108.800 0.168 0.000 2.316 155 G HA2 0.040 4.000 3.960 0.001 0.000 0.349 155 G HA3 0.040 4.000 3.960 0.001 0.000 0.349 155 G C -1.642 173.401 174.900 0.238 0.000 1.274 155 G CA -0.807 44.393 45.100 0.167 0.000 1.018 155 G HN 0.446 nan 8.290 nan 0.000 0.486 156 I N 0.618 121.286 120.570 0.163 0.000 2.339 156 I HA 0.561 4.731 4.170 0.001 0.000 0.290 156 I C -0.447 175.806 176.117 0.227 0.000 0.994 156 I CA -0.549 60.831 61.300 0.132 0.000 1.191 156 I CB 1.360 39.391 38.000 0.053 0.000 1.343 156 I HN 0.343 nan 8.210 nan 0.000 0.458 157 I N 5.444 126.137 120.570 0.206 0.000 2.447 157 I HA 0.193 4.363 4.170 0.001 0.000 0.287 157 I C -0.257 175.987 176.117 0.212 0.000 1.023 157 I CA -0.434 61.008 61.300 0.236 0.000 1.083 157 I CB 1.763 39.873 38.000 0.184 0.000 1.245 157 I HN 0.420 nan 8.210 nan 0.000 0.434 158 D N 4.425 124.993 120.400 0.281 0.000 2.435 158 D HA 0.029 4.670 4.640 0.001 0.000 0.230 158 D C 1.366 177.734 176.300 0.114 0.000 1.215 158 D CA 0.062 54.182 54.000 0.199 0.000 0.947 158 D CB 0.909 41.871 40.800 0.270 0.000 1.048 158 D HN 0.720 nan 8.370 nan 0.000 0.512 159 T N 0.679 115.293 114.554 0.100 0.000 2.951 159 T HA -0.154 4.197 4.350 0.001 0.000 0.268 159 T C 1.559 176.311 174.700 0.087 0.000 1.073 159 T CA 0.962 63.118 62.100 0.094 0.000 1.134 159 T CB 0.023 68.948 68.868 0.095 0.000 0.884 159 T HN 0.350 nan 8.240 nan 0.000 0.479 160 E N 2.327 122.572 120.200 0.074 0.000 2.058 160 E HA -0.150 4.200 4.350 0.001 0.000 0.194 160 E C 1.629 178.267 176.600 0.063 0.000 0.997 160 E CA 1.631 58.071 56.400 0.066 0.000 0.801 160 E CB -0.104 29.628 29.700 0.053 0.000 0.746 160 E HN 0.581 nan 8.360 nan 0.000 0.450 161 N N -1.145 117.587 118.700 0.053 0.000 2.236 161 N HA 0.128 4.868 4.740 0.001 0.000 0.196 161 N C 0.575 176.098 175.510 0.021 0.000 1.114 161 N CA 0.773 53.844 53.050 0.035 0.000 0.859 161 N CB 1.283 39.785 38.487 0.025 0.000 0.982 161 N HN 0.295 nan 8.380 nan 0.000 0.493 162 G N 1.413 110.232 108.800 0.032 0.000 2.160 162 G HA2 -0.279 3.681 3.960 0.001 0.000 0.251 162 G HA3 -0.279 3.681 3.960 0.001 0.000 0.251 162 G C -0.114 174.778 174.900 -0.013 0.000 1.008 162 G CA -0.166 44.946 45.100 0.020 0.000 0.724 162 G HN 0.344 nan 8.290 nan 0.000 0.514 163 I N 1.014 121.560 120.570 -0.040 0.000 2.312 163 I HA 0.312 4.483 4.170 0.001 0.000 0.291 163 I C 0.641 176.652 176.117 -0.177 0.000 1.031 163 I CA -0.779 60.435 61.300 -0.144 0.000 1.293 163 I CB 1.553 39.411 38.000 -0.237 0.000 1.403 163 I HN -0.107 nan 8.210 nan 0.000 0.484 164 V N 7.318 127.152 119.914 -0.133 0.000 2.389 164 V HA 0.115 4.236 4.120 0.001 0.000 0.264 164 V C 1.021 177.047 176.094 -0.113 0.000 1.049 164 V CA -0.288 61.978 62.300 -0.057 0.000 0.932 164 V CB 0.250 32.067 31.823 -0.009 0.000 1.011 164 V HN 0.705 nan 8.190 nan 0.000 0.475 165 H N 4.199 123.282 119.070 0.022 0.000 2.320 165 H HA 0.230 4.787 4.556 0.001 0.000 0.312 165 H C 0.816 176.151 175.328 0.012 0.000 1.051 165 H CA 0.835 56.892 56.048 0.014 0.000 1.339 165 H CB 0.398 30.167 29.762 0.012 0.000 1.437 165 H HN 0.429 nan 8.280 nan 0.000 0.538 169 F N -0.705 119.196 119.950 -0.082 0.000 2.746 169 F HA 0.298 4.826 4.527 0.001 0.000 0.297 169 F C 0.117 175.629 175.800 -0.480 0.000 1.113 169 F CA -0.049 57.763 58.000 -0.314 0.000 1.367 169 F CB 0.219 38.964 39.000 -0.426 0.000 1.111 169 F HN -0.140 nan 8.300 nan 0.000 0.590 170 Y N 0.347 120.700 120.300 0.088 0.000 2.376 170 Y HA 0.270 4.821 4.550 0.001 0.000 0.326 170 Y C 0.826 176.731 175.900 0.008 0.000 0.970 170 Y CA -1.246 56.885 58.100 0.051 0.000 1.248 170 Y CB 0.625 39.118 38.460 0.055 0.000 1.117 170 Y HN -0.003 nan 8.280 nan 0.000 0.476 171 E N 0.909 121.171 120.200 0.104 0.000 2.285 171 E HA -0.147 4.204 4.350 0.001 0.000 0.194 171 E C 0.642 177.275 176.600 0.054 0.000 0.997 171 E CA 0.741 57.170 56.400 0.048 0.000 0.845 171 E CB 0.274 29.984 29.700 0.017 0.000 0.782 171 E HN 0.699 nan 8.360 nan 0.000 0.491 172 D N 0.655 121.102 120.400 0.078 0.000 2.312 172 D HA -0.066 4.574 4.640 0.001 0.000 0.211 172 D C 0.394 176.716 176.300 0.036 0.000 0.964 172 D CA 0.294 54.325 54.000 0.052 0.000 0.877 172 D CB 0.283 41.115 40.800 0.054 0.000 0.924 172 D HN 0.027 nan 8.370 nan 0.000 0.515 173 V N -0.705 119.237 119.914 0.046 0.000 2.427 173 V HA 0.404 4.525 4.120 0.001 0.000 0.268 173 V C -0.095 176.010 176.094 0.019 0.000 1.046 173 V CA -0.458 61.855 62.300 0.021 0.000 0.970 173 V CB 0.780 32.615 31.823 0.019 0.000 1.001 173 V HN -0.167 nan 8.190 nan 0.000 0.476 174 K N 3.823 124.226 120.400 0.005 0.000 2.565 174 K HA 0.493 4.813 4.320 0.001 0.000 0.249 174 K C -0.774 175.815 176.600 -0.018 0.000 0.958 174 K CA -0.616 55.676 56.287 0.009 0.000 0.806 174 K CB 1.600 34.110 32.500 0.017 0.000 1.194 174 K HN 0.942 nan 8.250 nan 0.000 0.434 178 L N 0.344 121.542 121.223 -0.043 0.000 2.017 178 L HA -0.071 4.270 4.340 0.001 0.000 0.208 178 L C 2.168 179.023 176.870 -0.025 0.000 1.073 178 L CA 2.423 57.241 54.840 -0.037 0.000 0.745 178 L CB -0.453 41.584 42.059 -0.036 0.000 0.894 178 L HN 0.521 nan 8.230 nan 0.000 0.432 179 G N -0.944 107.845 108.800 -0.019 0.000 2.459 179 G HA2 -0.327 3.634 3.960 0.001 0.000 0.217 179 G HA3 -0.327 3.634 3.960 0.001 0.000 0.217 179 G C 1.450 176.342 174.900 -0.013 0.000 1.183 179 G CA 0.800 45.891 45.100 -0.015 0.000 0.776 179 G HN 0.417 nan 8.290 nan 0.000 0.552 180 E N 0.456 120.650 120.200 -0.009 0.000 2.106 180 E HA 0.001 4.352 4.350 0.001 0.000 0.192 180 E C 2.747 179.354 176.600 0.011 0.000 0.984 180 E CA 0.825 57.225 56.400 -0.000 0.000 0.806 180 E CB -0.148 29.551 29.700 -0.002 0.000 0.750 180 E HN 0.349 nan 8.360 nan 0.000 0.458 181 A N 0.438 123.263 122.820 0.009 0.000 2.067 181 A HA -0.002 4.318 4.320 0.001 0.000 0.217 181 A C 2.021 179.639 177.584 0.057 0.000 1.156 181 A CA 0.479 52.533 52.037 0.029 0.000 0.683 181 A CB -0.122 18.882 19.000 0.006 0.000 0.808 181 A HN 0.232 nan 8.150 nan 0.000 0.455 182 L N -1.492 119.750 121.223 0.031 0.000 2.253 182 L HA 0.018 4.358 4.340 0.001 0.000 0.205 182 L C 2.305 179.216 176.870 0.068 0.000 1.078 182 L CA 0.555 55.426 54.840 0.051 0.000 0.805 182 L CB -0.296 41.767 42.059 0.007 0.000 0.963 182 L HN 0.378 nan 8.230 nan 0.000 0.459 183 E N -0.116 120.099 120.200 0.026 0.000 2.209 183 E HA -0.283 4.068 4.350 0.001 0.000 0.196 183 E C 1.962 178.582 176.600 0.034 0.000 0.993 183 E CA 1.066 57.474 56.400 0.014 0.000 0.819 183 E CB 0.099 29.793 29.700 -0.010 0.000 0.745 183 E HN 0.447 nan 8.360 nan 0.000 0.477 184 Q N -0.973 118.856 119.800 0.049 0.000 2.391 184 Q HA -0.058 4.282 4.340 0.001 0.000 0.211 184 Q C 1.350 177.382 176.000 0.052 0.000 0.908 184 Q CA 0.261 56.088 55.803 0.040 0.000 0.920 184 Q CB 0.286 29.040 28.738 0.026 0.000 1.056 184 Q HN 0.341 nan 8.270 nan 0.000 0.523 185 H N -0.881 118.201 119.070 0.019 0.000 2.547 185 H HA -0.004 4.553 4.556 0.001 0.000 0.272 185 H C 1.182 176.545 175.328 0.058 0.000 0.989 185 H CA 1.767 57.834 56.048 0.032 0.000 1.214 185 H CB 0.586 30.364 29.762 0.027 0.000 1.389 185 H HN 0.255 nan 8.280 nan 0.000 0.577 186 T N -5.937 108.717 114.554 0.166 0.000 3.028 186 T HA 0.217 4.567 4.350 0.001 0.000 0.262 186 T C 1.445 176.189 174.700 0.074 0.000 0.916 186 T CA 0.219 62.410 62.100 0.150 0.000 0.873 186 T CB 0.354 69.354 68.868 0.220 0.000 1.232 186 T HN 0.291 nan 8.240 nan 0.000 0.529 187 G N 1.064 109.895 108.800 0.051 0.000 2.176 187 G HA2 -0.137 3.823 3.960 0.001 0.000 0.252 187 G HA3 -0.137 3.823 3.960 0.001 0.000 0.252 187 G C -0.135 174.782 174.900 0.028 0.000 1.024 187 G CA 0.088 45.206 45.100 0.030 0.000 0.755 187 G HN 0.869 nan 8.290 nan 0.000 0.507 188 V N 0.670 120.600 119.914 0.027 0.000 2.623 188 V HA 0.504 4.625 4.120 0.001 0.000 0.304 188 V C -2.185 173.874 176.094 -0.058 0.000 1.054 188 V CA -1.778 60.529 62.300 0.011 0.000 0.882 188 V CB 2.611 34.465 31.823 0.053 0.000 1.002 188 V HN 0.090 nan 8.190 nan 0.000 0.424 189 P HA 0.116 nan 4.420 nan 0.000 0.263 189 P C -0.732 176.244 177.300 -0.539 0.000 1.195 189 P CA 0.201 63.134 63.100 -0.278 0.000 0.762 189 P CB 0.475 32.024 31.700 -0.253 0.000 0.799 190 V N 5.767 125.415 119.914 -0.443 0.000 2.370 190 V HA 0.302 4.423 4.120 0.001 0.000 0.283 190 V C -0.358 175.503 176.094 -0.388 0.000 1.023 190 V CA -0.414 61.662 62.300 -0.373 0.000 0.857 190 V CB 0.248 31.992 31.823 -0.131 0.000 0.985 190 V HN 0.407 nan 8.190 nan 0.000 0.443 191 Y N 4.988 125.305 120.300 0.028 0.000 2.352 191 Y HA 0.721 5.271 4.550 0.001 0.000 0.339 191 Y C 0.013 175.929 175.900 0.027 0.000 0.992 191 Y CA -0.826 57.284 58.100 0.017 0.000 1.100 191 Y CB 1.617 40.074 38.460 -0.004 0.000 1.192 191 Y HN 0.430 nan 8.280 nan 0.000 0.458 192 I N 2.914 123.589 120.570 0.176 0.000 2.509 192 I HA 0.358 4.528 4.170 0.001 0.000 0.293 192 I C -0.742 175.448 176.117 0.122 0.000 1.020 192 I CA -0.663 60.708 61.300 0.118 0.000 1.088 192 I CB 2.180 40.229 38.000 0.081 0.000 1.267 192 I HN 0.581 nan 8.210 nan 0.000 0.430 193 Q N 3.509 123.376 119.800 0.112 0.000 2.394 193 Q HA 0.365 4.705 4.340 0.001 0.000 0.273 193 Q C -1.073 175.012 176.000 0.141 0.000 1.089 193 Q CA -0.955 54.923 55.803 0.125 0.000 0.812 193 Q CB 2.276 31.080 28.738 0.109 0.000 1.353 193 Q HN 0.633 nan 8.270 nan 0.000 0.438 194 H N 1.605 120.728 119.070 0.087 0.000 2.790 194 H HA -0.037 4.520 4.556 0.001 0.000 0.358 194 H C 0.500 175.896 175.328 0.114 0.000 1.103 194 H CA 0.800 56.906 56.048 0.097 0.000 1.426 194 H CB 0.891 30.710 29.762 0.094 0.000 1.424 194 H HN 0.772 nan 8.280 nan 0.000 0.599 195 D N 2.910 122.968 120.400 -0.569 0.000 2.242 195 D HA -0.246 4.395 4.640 0.001 0.000 0.193 195 D C 2.089 178.426 176.300 0.061 0.000 1.005 195 D CA 2.528 56.366 54.000 -0.271 0.000 0.856 195 D CB -0.094 40.465 40.800 -0.402 0.000 1.001 195 D HN 0.678 nan 8.370 nan 0.000 0.452 196 I N 0.374 121.051 120.570 0.178 0.000 2.163 196 I HA -0.300 3.871 4.170 0.001 0.000 0.243 196 I C 2.518 178.794 176.117 0.264 0.000 1.085 196 I CA 1.366 62.852 61.300 0.310 0.000 1.347 196 I CB -0.288 37.902 38.000 0.315 0.000 1.044 196 I HN 0.012 nan 8.210 nan 0.000 0.408 197 S N 1.112 116.971 115.700 0.265 0.000 2.356 197 S HA -0.182 4.289 4.470 0.001 0.000 0.223 197 S C 2.330 177.032 174.600 0.169 0.000 1.032 197 S CA 1.078 59.387 58.200 0.181 0.000 1.005 197 S CB -0.835 62.470 63.200 0.175 0.000 0.867 197 S HN 0.513 nan 8.310 nan 0.000 0.449 198 A N 1.820 124.743 122.820 0.172 0.000 1.892 198 A HA -0.199 4.122 4.320 0.001 0.000 0.218 198 A C 1.864 179.586 177.584 0.230 0.000 1.188 198 A CA 1.811 53.941 52.037 0.155 0.000 0.631 198 A CB -1.281 17.782 19.000 0.104 0.000 0.822 198 A HN 0.704 nan 8.150 nan 0.000 0.447 199 W N 1.860 123.180 121.300 0.033 0.000 2.338 199 W HA -0.080 4.580 4.660 0.001 0.000 0.304 199 W C 0.814 177.378 176.519 0.076 0.000 1.212 199 W CA 1.676 59.045 57.345 0.041 0.000 1.264 199 W CB -1.344 28.143 29.460 0.044 0.000 1.142 199 W HN 0.241 nan 8.180 nan 0.000 0.512 203 E N 0.964 121.437 120.200 0.455 0.000 2.153 203 E HA -0.059 4.292 4.350 0.001 0.000 0.194 203 E C 2.004 178.741 176.600 0.228 0.000 0.988 203 E CA 1.357 58.008 56.400 0.420 0.000 0.811 203 E CB -0.252 29.616 29.700 0.279 0.000 0.746 203 E HN 0.683 nan 8.360 nan 0.000 0.466 204 A N 0.200 123.103 122.820 0.138 0.000 2.123 204 A HA 0.050 4.370 4.320 0.001 0.000 0.214 204 A C 2.134 179.707 177.584 -0.019 0.000 1.152 204 A CA 0.485 52.545 52.037 0.038 0.000 0.728 204 A CB -0.101 18.901 19.000 0.003 0.000 0.814 204 A HN 0.118 nan 8.150 nan 0.000 0.464 205 L N -3.206 117.994 121.223 -0.038 0.000 2.349 205 L HA 0.243 4.583 4.340 0.001 0.000 0.200 205 L C 1.510 178.117 176.870 -0.438 0.000 1.064 205 L CA 0.711 55.341 54.840 -0.351 0.000 0.821 205 L CB 0.107 41.792 42.059 -0.624 0.000 1.027 205 L HN 0.403 nan 8.230 nan 0.000 0.476 206 F N -1.368 118.692 119.950 0.183 0.000 2.784 206 F HA 0.363 4.891 4.527 0.001 0.000 0.323 206 F C 1.278 177.316 175.800 0.397 0.000 1.085 206 F CA -0.040 58.112 58.000 0.253 0.000 1.196 206 F CB 0.348 39.478 39.000 0.218 0.000 1.053 206 F HN -0.056 nan 8.300 nan 0.000 0.578 207 G N -0.296 108.828 108.800 0.540 0.000 3.286 207 G HA2 0.487 4.448 3.960 0.001 0.000 0.166 207 G HA3 0.487 4.448 3.960 0.001 0.000 0.166 207 G C 0.706 175.654 174.900 0.080 0.000 1.155 207 G CA 0.124 45.409 45.100 0.309 0.000 0.871 207 G HN 0.015 nan 8.290 nan 0.000 0.637 208 A N -0.434 122.400 122.820 0.023 0.000 2.238 208 A HA 0.352 4.672 4.320 0.001 0.000 0.208 208 A C 1.799 179.383 177.584 -0.000 0.000 1.177 208 A CA 1.683 53.710 52.037 -0.017 0.000 0.804 208 A CB -0.327 18.651 19.000 -0.036 0.000 0.823 208 A HN 1.013 nan 8.150 nan 0.000 0.482 209 S N -1.382 114.332 115.700 0.024 0.000 2.666 209 S HA 0.263 4.733 4.470 0.001 0.000 0.239 209 S C 0.506 175.102 174.600 -0.007 0.000 1.031 209 S CA -0.600 57.599 58.200 -0.003 0.000 1.015 209 S CB -0.070 63.122 63.200 -0.014 0.000 0.981 209 S HN 0.468 nan 8.310 nan 0.000 0.547 210 R N 1.473 121.979 120.500 0.009 0.000 2.500 210 R HA 0.274 4.614 4.340 0.001 0.000 0.281 210 R C 1.529 177.815 176.300 -0.023 0.000 0.953 210 R CA 1.362 57.455 56.100 -0.011 0.000 1.108 210 R CB -0.306 29.997 30.300 0.004 0.000 0.901 210 R HN 0.597 nan 8.270 nan 0.000 0.410 211 G N 1.243 110.021 108.800 -0.037 0.000 2.320 211 G HA2 -0.349 3.611 3.960 0.001 0.000 0.242 211 G HA3 -0.349 3.611 3.960 0.001 0.000 0.242 211 G C 0.192 175.066 174.900 -0.042 0.000 1.033 211 G CA -0.025 45.053 45.100 -0.037 0.000 0.620 211 G HN 0.896 nan 8.290 nan 0.000 0.517 212 A N 0.594 123.388 122.820 -0.044 0.000 2.409 212 A HA 0.696 5.017 4.320 0.001 0.000 0.262 212 A C 1.424 178.969 177.584 -0.065 0.000 1.113 212 A CA 0.377 52.383 52.037 -0.051 0.000 0.790 212 A CB 0.370 19.339 19.000 -0.051 0.000 1.046 212 A HN 0.283 nan 8.150 nan 0.000 0.496 213 R N 0.921 121.381 120.500 -0.066 0.000 2.153 213 R HA -0.014 4.327 4.340 0.001 0.000 0.218 213 R C -0.822 175.428 176.300 -0.083 0.000 1.072 213 R CA 0.999 57.051 56.100 -0.079 0.000 0.990 213 R CB -0.092 30.167 30.300 -0.068 0.000 0.889 213 R HN 0.818 nan 8.270 nan 0.000 0.452 214 D N -0.378 119.974 120.400 -0.080 0.000 2.476 214 D HA 0.265 4.906 4.640 0.001 0.000 0.251 214 D C -1.364 174.876 176.300 -0.100 0.000 1.291 214 D CA -0.180 53.766 54.000 -0.091 0.000 0.939 214 D CB 2.422 43.175 40.800 -0.077 0.000 1.221 214 D HN -0.290 nan 8.370 nan 0.000 0.567 215 V N 2.617 122.455 119.914 -0.127 0.000 2.709 215 V HA 0.523 4.643 4.120 0.001 0.000 0.308 215 V C -0.237 175.750 176.094 -0.178 0.000 1.062 215 V CA -0.793 61.430 62.300 -0.129 0.000 0.901 215 V CB 2.004 33.762 31.823 -0.108 0.000 1.003 215 V HN 0.463 nan 8.190 nan 0.000 0.425 216 I N 3.531 124.006 120.570 -0.158 0.000 2.378 216 I HA 0.498 4.669 4.170 0.001 0.000 0.291 216 I C -0.234 175.786 176.117 -0.160 0.000 0.992 216 I CA -0.320 60.875 61.300 -0.174 0.000 1.154 216 I CB 1.692 39.619 38.000 -0.121 0.000 1.315 216 I HN 0.643 nan 8.210 nan 0.000 0.448 217 Q N 6.002 125.697 119.800 -0.176 0.000 2.341 217 Q HA 0.511 4.851 4.340 0.001 0.000 0.268 217 Q C -1.675 174.205 176.000 -0.200 0.000 1.013 217 Q CA -0.638 55.036 55.803 -0.214 0.000 0.798 217 Q CB 2.053 30.631 28.738 -0.267 0.000 1.253 217 Q HN 0.530 nan 8.270 nan 0.000 0.457 218 V N 4.270 124.070 119.914 -0.189 0.000 2.394 218 V HA 0.376 4.497 4.120 0.001 0.000 0.282 218 V C -0.299 175.697 176.094 -0.163 0.000 1.031 218 V CA -0.720 61.501 62.300 -0.132 0.000 0.881 218 V CB 1.569 33.343 31.823 -0.082 0.000 0.982 218 V HN 0.559 nan 8.190 nan 0.000 0.451 219 V N 6.699 126.542 119.914 -0.118 0.000 2.313 219 V HA 0.431 4.551 4.120 0.001 0.000 0.278 219 V C -0.055 176.051 176.094 0.020 0.000 1.017 219 V CA -0.241 62.005 62.300 -0.090 0.000 0.823 219 V CB 1.317 33.102 31.823 -0.063 0.000 1.010 219 V HN 0.721 nan 8.190 nan 0.000 0.443 220 I N 4.935 125.524 120.570 0.031 0.000 2.276 220 I HA 0.380 4.551 4.170 0.001 0.000 0.290 220 I C 0.262 176.417 176.117 0.064 0.000 1.109 220 I CA 0.385 61.717 61.300 0.054 0.000 1.229 220 I CB 0.603 38.634 38.000 0.052 0.000 1.452 220 I HN 0.636 nan 8.210 nan 0.000 0.497 221 D N 1.310 121.754 120.400 0.073 0.000 3.808 221 D HA 0.153 4.793 4.640 0.001 0.000 0.179 221 D C 1.414 177.713 176.300 -0.001 0.000 1.365 221 D CA -0.041 53.960 54.000 0.001 0.000 1.305 221 D CB 0.520 41.348 40.800 0.046 0.000 1.303 221 D HN 0.271 nan 8.370 nan 0.000 0.438 222 H N -0.223 118.965 119.070 0.197 0.000 2.457 222 H HA 0.152 4.708 4.556 0.001 0.000 0.294 222 H C 0.262 175.662 175.328 0.119 0.000 1.064 222 H CA 0.872 57.030 56.048 0.184 0.000 1.330 222 H CB -0.018 29.941 29.762 0.327 0.000 1.395 222 H HN 0.103 nan 8.280 nan 0.000 0.541 223 N N -0.113 118.721 118.700 0.223 0.000 2.653 223 N HA 0.262 5.002 4.740 0.001 0.000 0.294 223 N C -0.802 174.789 175.510 0.135 0.000 1.305 223 N CA -0.574 52.581 53.050 0.174 0.000 0.827 223 N CB 2.865 41.470 38.487 0.197 0.000 1.415 223 N HN -0.243 nan 8.380 nan 0.000 0.546 224 V N 0.533 120.511 119.914 0.106 0.000 2.350 224 V HA 0.673 4.794 4.120 0.001 0.000 0.285 224 V C 0.531 176.680 176.094 0.091 0.000 1.014 224 V CA -0.530 61.813 62.300 0.071 0.000 0.831 224 V CB 0.881 32.714 31.823 0.016 0.000 1.000 224 V HN 0.804 nan 8.190 nan 0.000 0.433 225 G N 3.019 111.877 108.800 0.095 0.000 2.816 225 G HA2 0.914 4.874 3.960 0.001 0.000 0.288 225 G HA3 0.914 4.874 3.960 0.001 0.000 0.288 225 G C -1.191 173.733 174.900 0.041 0.000 1.334 225 G CA -0.394 44.766 45.100 0.100 0.000 0.978 225 G HN 1.104 nan 8.290 nan 0.000 0.493 226 A N -1.172 121.670 122.820 0.036 0.000 2.488 226 A HA 0.833 5.153 4.320 0.001 0.000 0.298 226 A C -0.103 177.469 177.584 -0.019 0.000 1.044 226 A CA 0.048 52.075 52.037 -0.017 0.000 0.693 226 A CB 1.584 20.577 19.000 -0.011 0.000 1.272 226 A HN 1.700 nan 8.150 nan 0.000 0.402 227 G N -0.015 108.741 108.800 -0.073 0.000 2.389 227 G HA2 0.597 4.557 3.960 0.001 0.000 0.328 227 G HA3 0.597 4.557 3.960 0.001 0.000 0.328 227 G C -0.994 173.804 174.900 -0.169 0.000 1.133 227 G CA -0.516 44.536 45.100 -0.080 0.000 0.891 227 G HN 1.142 nan 8.290 nan 0.000 0.485 228 V N 2.282 122.062 119.914 -0.222 0.000 2.577 228 V HA 0.428 4.549 4.120 0.001 0.000 0.303 228 V C -0.356 175.559 176.094 -0.298 0.000 1.042 228 V CA -0.560 61.502 62.300 -0.396 0.000 0.872 228 V CB 1.604 32.955 31.823 -0.787 0.000 0.998 228 V HN 0.652 nan 8.190 nan 0.000 0.423 229 I N 4.091 124.508 120.570 -0.256 0.000 2.377 229 I HA 0.654 4.824 4.170 0.001 0.000 0.293 229 I C 0.024 176.037 176.117 -0.174 0.000 0.987 229 I CA -0.173 61.024 61.300 -0.171 0.000 1.185 229 I CB 2.200 40.130 38.000 -0.117 0.000 1.341 229 I HN 0.712 nan 8.210 nan 0.000 0.455 230 T N 0.250 114.740 114.554 -0.108 0.000 2.861 230 T HA 0.307 4.657 4.350 0.001 0.000 0.287 230 T C -0.416 174.277 174.700 -0.012 0.000 1.003 230 T CA -0.818 61.255 62.100 -0.045 0.000 0.977 230 T CB 1.618 70.505 68.868 0.032 0.000 0.996 230 T HN 0.623 nan 8.240 nan 0.000 0.448 231 D N 1.217 121.601 120.400 -0.026 0.000 2.733 231 D HA -0.206 4.434 4.640 0.001 0.000 0.232 231 D C 1.433 177.639 176.300 -0.157 0.000 1.161 231 D CA 2.085 56.060 54.000 -0.042 0.000 0.653 231 D CB -1.572 39.245 40.800 0.029 0.000 1.052 231 D HN 1.522 nan 8.370 nan 0.000 0.424 232 G N -1.145 107.548 108.800 -0.178 0.000 2.199 232 G HA2 -0.327 3.634 3.960 0.001 0.000 0.254 232 G HA3 -0.327 3.634 3.960 0.001 0.000 0.254 232 G C 0.129 174.829 174.900 -0.334 0.000 0.982 232 G CA 0.426 45.361 45.100 -0.275 0.000 0.632 232 G HN 0.640 nan 8.290 nan 0.000 0.529 233 H N -0.404 118.641 119.070 -0.042 0.000 2.463 233 H HA 0.528 5.085 4.556 0.001 0.000 0.332 233 H C 0.200 175.490 175.328 -0.064 0.000 1.127 233 H CA -0.786 55.238 56.048 -0.041 0.000 1.238 233 H CB 1.756 31.500 29.762 -0.030 0.000 1.478 233 H HN 0.225 nan 8.280 nan 0.000 0.499 234 L N 3.535 124.803 121.223 0.075 0.000 2.410 234 L HA 0.061 4.401 4.340 0.001 0.000 0.273 234 L C -0.302 176.549 176.870 -0.032 0.000 1.152 234 L CA -0.203 54.637 54.840 0.001 0.000 0.855 234 L CB 0.099 42.171 42.059 0.021 0.000 1.129 234 L HN 0.432 nan 8.230 nan 0.000 0.463 235 L N 6.383 127.531 121.223 -0.124 0.000 2.453 235 L HA 0.205 4.545 4.340 0.001 0.000 0.272 235 L C 0.420 177.158 176.870 -0.220 0.000 1.182 235 L CA 0.518 55.204 54.840 -0.256 0.000 0.858 235 L CB -0.204 41.617 42.059 -0.396 0.000 1.120 235 L HN 0.811 nan 8.230 nan 0.000 0.474 236 H N 2.330 121.410 119.070 0.016 0.000 2.861 236 H HA -0.236 4.320 4.556 0.001 0.000 0.289 236 H C 1.366 176.700 175.328 0.011 0.000 1.176 236 H CA 0.736 56.791 56.048 0.012 0.000 1.146 236 H CB -1.788 27.980 29.762 0.010 0.000 1.330 236 H HN 0.766 nan 8.280 nan 0.000 0.379 237 A N 0.599 123.464 122.820 0.074 0.000 1.858 237 A HA -0.002 4.319 4.320 0.001 0.000 0.216 237 A C 2.615 180.224 177.584 0.041 0.000 1.190 237 A CA 1.735 53.803 52.037 0.051 0.000 0.617 237 A CB -0.862 18.154 19.000 0.026 0.000 0.827 237 A HN 0.549 nan 8.150 nan 0.000 0.443 238 G N -0.656 108.162 108.800 0.029 0.000 3.135 238 G HA2 0.314 4.274 3.960 0.001 0.000 0.208 238 G HA3 0.314 4.274 3.960 0.001 0.000 0.208 238 G C 0.451 175.374 174.900 0.038 0.000 1.212 238 G CA 1.113 46.224 45.100 0.019 0.000 0.928 238 G HN 1.120 nan 8.290 nan 0.000 0.500 239 S N -2.083 113.651 115.700 0.057 0.000 2.727 239 S HA 0.511 4.981 4.470 0.001 0.000 0.278 239 S C 0.579 175.203 174.600 0.041 0.000 1.186 239 S CA 0.470 58.696 58.200 0.044 0.000 0.836 239 S CB 1.053 64.278 63.200 0.041 0.000 1.186 239 S HN 0.471 nan 8.310 nan 0.000 0.499 240 S N 0.413 116.122 115.700 0.015 0.000 2.578 240 S HA 0.317 4.787 4.470 0.001 0.000 0.231 240 S C 0.495 175.072 174.600 -0.039 0.000 0.994 240 S CA 0.381 58.590 58.200 0.014 0.000 0.956 240 S CB -0.656 62.563 63.200 0.033 0.000 0.870 240 S HN 1.429 nan 8.310 nan 0.000 0.494 241 S N 1.965 117.604 115.700 -0.102 0.000 2.562 241 S HA 0.694 5.164 4.470 0.001 0.000 0.275 241 S C -0.116 174.334 174.600 -0.250 0.000 1.281 241 S CA -0.843 57.231 58.200 -0.210 0.000 1.045 241 S CB 0.567 63.590 63.200 -0.295 0.000 0.962 241 S HN 0.446 nan 8.310 nan 0.000 0.503 242 L N 1.763 122.860 121.223 -0.211 0.000 2.365 242 L HA 0.584 4.925 4.340 0.001 0.000 0.267 242 L C -0.392 176.458 176.870 -0.033 0.000 1.033 242 L CA -1.558 53.219 54.840 -0.106 0.000 0.802 242 L CB 0.870 42.804 42.059 -0.208 0.000 1.267 242 L HN 0.407 nan 8.230 nan 0.000 0.457 243 V N 1.160 121.139 119.914 0.108 0.000 2.387 243 V HA 0.068 4.188 4.120 0.001 0.000 0.260 243 V C 0.232 176.374 176.094 0.081 0.000 1.054 243 V CA -0.131 62.255 62.300 0.143 0.000 0.967 243 V CB -0.006 31.894 31.823 0.128 0.000 1.036 243 V HN 0.610 nan 8.190 nan 0.000 0.481 244 E N 4.893 125.136 120.200 0.071 0.000 2.360 244 E HA 0.163 4.514 4.350 0.001 0.000 0.253 244 E C 1.128 177.793 176.600 0.108 0.000 1.189 244 E CA -0.147 56.307 56.400 0.090 0.000 1.252 244 E CB 0.893 30.619 29.700 0.043 0.000 1.408 244 E HN 0.868 nan 8.360 nan 0.000 0.464 245 I N -2.368 118.254 120.570 0.088 0.000 2.439 245 I HA 0.028 4.199 4.170 0.001 0.000 0.251 245 I C 1.890 178.017 176.117 0.018 0.000 1.139 245 I CA 1.073 62.408 61.300 0.059 0.000 1.438 245 I CB -0.132 37.899 38.000 0.051 0.000 1.085 245 I HN 0.181 nan 8.210 nan 0.000 0.427 246 G N 0.587 109.388 108.800 0.002 0.000 2.462 246 G HA2 -0.199 3.761 3.960 0.001 0.000 0.220 246 G HA3 -0.199 3.761 3.960 0.001 0.000 0.220 246 G C 1.389 176.071 174.900 -0.363 0.000 1.121 246 G CA 0.898 45.901 45.100 -0.161 0.000 0.758 246 G HN 0.624 nan 8.290 nan 0.000 0.559 247 H N 0.149 119.181 119.070 -0.062 0.000 2.549 247 H HA 0.098 4.654 4.556 0.001 0.000 0.279 247 H C 0.714 175.998 175.328 -0.074 0.000 1.018 247 H CA 0.626 56.612 56.048 -0.104 0.000 1.175 247 H CB 0.124 29.803 29.762 -0.138 0.000 1.485 247 H HN 0.341 nan 8.280 nan 0.000 0.543 248 T N -0.702 113.860 114.554 0.012 0.000 2.814 248 T HA 0.061 4.412 4.350 0.001 0.000 0.297 248 T C 0.338 175.025 174.700 -0.023 0.000 0.956 248 T CA -0.652 61.451 62.100 0.005 0.000 1.123 248 T CB 2.016 70.894 68.868 0.016 0.000 0.902 248 T HN 0.246 nan 8.240 nan 0.000 0.528 249 Q N 2.424 122.213 119.800 -0.019 0.000 2.300 249 Q HA 0.186 4.526 4.340 0.001 0.000 0.280 249 Q C -0.003 175.987 176.000 -0.017 0.000 1.033 249 Q CA -0.313 55.474 55.803 -0.026 0.000 0.903 249 Q CB 0.681 29.405 28.738 -0.024 0.000 1.195 249 Q HN 0.731 nan 8.270 nan 0.000 0.386 250 V N 2.741 122.635 119.914 -0.033 0.000 2.911 250 V HA 0.075 4.196 4.120 0.001 0.000 0.237 250 V C 0.148 176.247 176.094 0.008 0.000 1.156 250 V CA 0.656 62.943 62.300 -0.021 0.000 1.180 250 V CB 0.822 32.562 31.823 -0.138 0.000 0.932 250 V HN 0.803 nan 8.190 nan 0.000 0.483 251 D N 0.531 120.922 120.400 -0.014 0.000 2.453 251 D HA 0.248 4.888 4.640 0.001 0.000 0.238 251 D C -1.838 174.477 176.300 0.025 0.000 1.088 251 D CA -1.883 52.137 54.000 0.034 0.000 0.854 251 D CB 2.373 43.189 40.800 0.028 0.000 1.076 251 D HN 0.025 nan 8.370 nan 0.000 0.533 252 P HA -0.193 nan 4.420 nan 0.000 0.219 252 P C 0.287 177.365 177.300 -0.370 0.000 1.153 252 P CA 1.430 64.436 63.100 -0.157 0.000 0.865 252 P CB 0.050 31.711 31.700 -0.065 0.000 0.788 253 Y N -1.775 118.511 120.300 -0.022 0.000 2.706 253 Y HA 0.444 4.995 4.550 0.002 0.000 0.255 253 Y C 1.873 177.753 175.900 -0.035 0.000 1.163 253 Y CA -0.536 57.521 58.100 -0.071 0.000 1.174 253 Y CB -0.301 38.113 38.460 -0.076 0.000 1.200 253 Y HN -0.118 nan 8.280 nan 0.000 0.544 254 G N 0.598 109.465 108.800 0.112 0.000 2.418 254 G HA2 0.050 4.011 3.960 0.001 0.000 0.276 254 G HA3 0.050 4.011 3.960 0.001 0.000 0.276 254 G C -0.411 174.564 174.900 0.125 0.000 1.442 254 G CA -0.463 44.693 45.100 0.093 0.000 1.066 254 G HN 0.088 nan 8.290 nan 0.000 0.553 255 K N 0.657 121.108 120.400 0.085 0.000 2.297 255 K HA 0.170 4.490 4.320 0.001 0.000 0.286 255 K C 0.601 177.247 176.600 0.075 0.000 1.053 255 K CA -0.412 55.928 56.287 0.089 0.000 0.940 255 K CB 0.443 32.973 32.500 0.050 0.000 1.019 255 K HN 0.268 nan 8.250 nan 0.000 0.475 256 R N 3.476 124.033 120.500 0.095 0.000 2.614 256 R HA -0.114 4.226 4.340 0.001 0.000 0.335 256 R C 0.098 176.371 176.300 -0.046 0.000 0.859 256 R CA 0.219 56.288 56.100 -0.051 0.000 1.123 256 R CB -0.715 29.564 30.300 -0.035 0.000 0.887 256 R HN 0.727 nan 8.270 nan 0.000 0.407 257 C N 4.491 123.728 119.300 -0.105 0.000 2.500 257 C HA 0.179 4.639 4.460 0.001 0.000 0.367 257 C C 2.129 177.073 174.990 -0.077 0.000 1.283 257 C CA -0.785 58.170 59.018 -0.105 0.000 2.456 257 C CB -0.077 27.539 27.740 -0.207 0.000 2.457 257 C HN 0.868 nan 8.230 nan 0.000 0.632 258 Y N 2.002 122.319 120.300 0.030 0.000 2.497 258 Y HA -0.007 4.544 4.550 0.001 0.000 0.292 258 Y C 2.206 178.111 175.900 0.010 0.000 1.137 258 Y CA 1.236 59.348 58.100 0.021 0.000 1.285 258 Y CB -1.533 36.946 38.460 0.032 0.000 0.991 258 Y HN 0.748 nan 8.280 nan 0.000 0.556 259 C N -0.159 118.972 119.300 -0.282 0.000 2.435 259 C HA 0.523 4.984 4.460 0.001 0.000 0.279 259 C C 2.297 177.214 174.990 -0.120 0.000 1.321 259 C CA 0.666 59.562 59.018 -0.203 0.000 1.752 259 C CB -0.554 27.037 27.740 -0.248 0.000 1.959 259 C HN 0.900 nan 8.230 nan 0.000 0.500 260 G N 0.305 109.027 108.800 -0.131 0.000 2.480 260 G HA2 -0.110 3.851 3.960 0.001 0.000 0.193 260 G HA3 -0.110 3.851 3.960 0.001 0.000 0.193 260 G C -0.005 174.753 174.900 -0.237 0.000 1.004 260 G CA 0.137 45.154 45.100 -0.137 0.000 0.696 260 G HN 0.497 nan 8.290 nan 0.000 0.478 261 N N 0.402 118.969 118.700 -0.220 0.000 2.452 261 N HA 0.556 5.297 4.740 0.001 0.000 0.296 261 N C -0.335 174.899 175.510 -0.460 0.000 1.304 261 N CA 0.113 53.005 53.050 -0.264 0.000 0.956 261 N CB 0.029 38.448 38.487 -0.114 0.000 1.106 261 N HN 0.466 nan 8.380 nan 0.000 0.555 262 H N -2.059 116.974 119.070 -0.061 0.000 2.622 262 H HA 0.425 4.982 4.556 0.001 0.000 0.363 262 H C 0.358 175.645 175.328 -0.068 0.000 1.151 262 H CA -0.316 55.696 56.048 -0.059 0.000 1.184 262 H CB 1.406 31.127 29.762 -0.068 0.000 1.643 262 H HN 0.729 nan 8.280 nan 0.000 0.531 263 G N 1.486 110.327 108.800 0.069 0.000 2.412 263 G HA2 -0.309 3.651 3.960 0.001 0.000 0.297 263 G HA3 -0.309 3.651 3.960 0.001 0.000 0.297 263 G C 0.067 174.934 174.900 -0.055 0.000 0.965 263 G CA 0.317 45.416 45.100 -0.002 0.000 1.134 263 G HN 0.646 nan 8.290 nan 0.000 0.511 264 C N 0.153 119.401 119.300 -0.087 0.000 2.656 264 C HA 0.276 4.736 4.460 0.001 0.000 0.391 264 C C 2.375 177.275 174.990 -0.151 0.000 1.300 264 C CA -0.281 58.658 59.018 -0.131 0.000 2.302 264 C CB 0.597 28.212 27.740 -0.208 0.000 2.655 264 C HN 0.637 nan 8.230 nan 0.000 0.656 265 L N 0.886 122.022 121.223 -0.146 0.000 2.021 265 L HA -0.221 4.120 4.340 0.001 0.000 0.215 265 L C 2.642 179.432 176.870 -0.133 0.000 1.074 265 L CA 2.014 56.777 54.840 -0.129 0.000 0.760 265 L CB -0.540 41.470 42.059 -0.082 0.000 0.889 265 L HN 0.883 nan 8.230 nan 0.000 0.433 266 E N -0.924 119.165 120.200 -0.185 0.000 2.118 266 E HA -0.265 4.085 4.350 0.001 0.000 0.195 266 E C 1.916 178.472 176.600 -0.072 0.000 0.992 266 E CA 1.943 58.261 56.400 -0.138 0.000 0.804 266 E CB 0.048 29.605 29.700 -0.239 0.000 0.741 266 E HN 0.657 nan 8.360 nan 0.000 0.458 267 T N -1.479 113.019 114.554 -0.093 0.000 2.995 267 T HA -0.092 4.259 4.350 0.001 0.000 0.269 267 T C 1.656 176.330 174.700 -0.045 0.000 1.091 267 T CA 0.661 62.735 62.100 -0.043 0.000 1.128 267 T CB -0.032 68.811 68.868 -0.042 0.000 0.891 267 T HN 0.012 nan 8.240 nan 0.000 0.492 268 I N 1.035 121.553 120.570 -0.087 0.000 2.731 268 I HA 0.441 4.612 4.170 0.001 0.000 0.260 268 I C 2.481 178.571 176.117 -0.044 0.000 1.138 268 I CA 0.628 61.867 61.300 -0.102 0.000 1.461 268 I CB -0.096 37.741 38.000 -0.270 0.000 1.128 268 I HN 0.394 nan 8.210 nan 0.000 0.438 269 A N -0.831 121.969 122.820 -0.033 0.000 2.508 269 A HA 0.308 4.629 4.320 0.001 0.000 0.250 269 A C 0.926 178.526 177.584 0.026 0.000 1.208 269 A CA 0.107 52.149 52.037 0.009 0.000 0.960 269 A CB -0.404 18.607 19.000 0.018 0.000 1.099 269 A HN 0.282 nan 8.150 nan 0.000 0.542 270 S N -0.331 115.386 115.700 0.028 0.000 2.572 270 S HA 0.274 4.745 4.470 0.001 0.000 0.279 270 S C 1.282 175.922 174.600 0.066 0.000 1.341 270 S CA 0.041 58.277 58.200 0.059 0.000 1.043 270 S CB 1.102 64.351 63.200 0.081 0.000 0.887 270 S HN 0.290 nan 8.310 nan 0.000 0.516 271 V N 2.227 122.184 119.914 0.071 0.000 2.278 271 V HA -0.264 3.857 4.120 0.001 0.000 0.251 271 V C 2.179 178.326 176.094 0.089 0.000 1.062 271 V CA 2.645 64.983 62.300 0.063 0.000 1.038 271 V CB -1.096 30.737 31.823 0.017 0.000 0.646 271 V HN 0.911 nan 8.190 nan 0.000 0.447 272 D N -0.205 120.272 120.400 0.130 0.000 2.097 272 D HA -0.143 4.497 4.640 0.001 0.000 0.195 272 D C 2.378 178.722 176.300 0.074 0.000 0.989 272 D CA 1.723 55.790 54.000 0.111 0.000 0.827 272 D CB -0.345 40.527 40.800 0.120 0.000 0.966 272 D HN 0.583 nan 8.370 nan 0.000 0.456 273 S N -0.215 115.525 115.700 0.067 0.000 2.406 273 S HA -0.081 4.389 4.470 0.001 0.000 0.228 273 S C 2.089 176.713 174.600 0.039 0.000 1.020 273 S CA 0.389 58.617 58.200 0.047 0.000 0.965 273 S CB -0.484 62.739 63.200 0.038 0.000 0.798 273 S HN 0.240 nan 8.310 nan 0.000 0.488 274 I N 1.633 122.228 120.570 0.042 0.000 2.142 274 I HA -0.160 4.010 4.170 0.001 0.000 0.240 274 I C 2.367 178.503 176.117 0.033 0.000 1.078 274 I CA 1.405 62.728 61.300 0.037 0.000 1.343 274 I CB -0.463 37.560 38.000 0.039 0.000 1.046 274 I HN 0.293 nan 8.210 nan 0.000 0.405 275 L N 0.195 121.440 121.223 0.037 0.000 2.265 275 L HA -0.197 4.144 4.340 0.001 0.000 0.215 275 L C 2.297 179.183 176.870 0.027 0.000 1.117 275 L CA 1.299 56.157 54.840 0.030 0.000 0.782 275 L CB -0.661 41.421 42.059 0.038 0.000 0.914 275 L HN 0.351 nan 8.230 nan 0.000 0.441 276 E N -0.041 120.178 120.200 0.032 0.000 2.112 276 E HA -0.184 4.167 4.350 0.001 0.000 0.190 276 E C 2.041 178.655 176.600 0.024 0.000 0.979 276 E CA 0.554 56.971 56.400 0.028 0.000 0.814 276 E CB 0.024 29.744 29.700 0.033 0.000 0.762 276 E HN 0.212 nan 8.360 nan 0.000 0.460 277 L N 0.859 122.097 121.223 0.025 0.000 2.156 277 L HA -0.010 4.331 4.340 0.001 0.000 0.208 277 L C 2.066 178.946 176.870 0.016 0.000 1.095 277 L CA 1.522 56.376 54.840 0.023 0.000 0.770 277 L CB -0.509 41.567 42.059 0.028 0.000 0.914 277 L HN 0.015 nan 8.230 nan 0.000 0.439 278 A N -0.762 122.065 122.820 0.012 0.000 1.858 278 A HA -0.283 4.037 4.320 0.001 0.000 0.216 278 A C 2.286 179.861 177.584 -0.014 0.000 1.190 278 A CA 1.816 53.851 52.037 -0.003 0.000 0.617 278 A CB -0.710 18.287 19.000 -0.005 0.000 0.827 278 A HN 0.538 nan 8.150 nan 0.000 0.443 279 Q N -0.592 119.204 119.800 -0.006 0.000 2.297 279 Q HA 0.073 4.414 4.340 0.001 0.000 0.204 279 Q C 1.756 177.756 176.000 0.001 0.000 0.962 279 Q CA 0.862 56.660 55.803 -0.010 0.000 0.879 279 Q CB -0.336 28.404 28.738 0.004 0.000 0.947 279 Q HN 0.672 nan 8.270 nan 0.000 0.462 280 L N -0.416 120.812 121.223 0.008 0.000 2.005 280 L HA -0.149 4.191 4.340 0.001 0.000 0.207 280 L C 2.151 179.029 176.870 0.013 0.000 1.072 280 L CA 1.402 56.251 54.840 0.015 0.000 0.744 280 L CB -0.101 41.969 42.059 0.019 0.000 0.895 280 L HN 0.229 nan 8.230 nan 0.000 0.433 281 R N -0.534 119.970 120.500 0.006 0.000 2.092 281 R HA -0.142 4.199 4.340 0.001 0.000 0.231 281 R C 2.188 178.484 176.300 -0.007 0.000 1.119 281 R CA 0.949 57.052 56.100 0.004 0.000 0.970 281 R CB -0.305 29.996 30.300 0.002 0.000 0.864 281 R HN 0.384 nan 8.270 nan 0.000 0.440 282 L N 1.414 122.614 121.223 -0.039 0.000 2.131 282 L HA -0.150 4.191 4.340 0.001 0.000 0.210 282 L C 0.986 177.843 176.870 -0.022 0.000 1.092 282 L CA 1.476 56.250 54.840 -0.110 0.000 0.759 282 L CB -0.290 41.657 42.059 -0.185 0.000 0.903 282 L HN 0.233 nan 8.230 nan 0.000 0.435 283 N N -0.085 118.634 118.700 0.032 0.000 2.459 283 N HA -0.157 4.584 4.740 0.001 0.000 0.181 283 N C 1.569 177.129 175.510 0.084 0.000 1.046 283 N CA 0.751 53.852 53.050 0.084 0.000 0.904 283 N CB 0.003 38.524 38.487 0.057 0.000 0.964 283 N HN 0.454 nan 8.380 nan 0.000 0.444 284 Q N -0.665 119.172 119.800 0.060 0.000 2.392 284 Q HA 0.181 4.522 4.340 0.001 0.000 0.203 284 Q C 0.472 176.513 176.000 0.070 0.000 0.917 284 Q CA 0.035 55.870 55.803 0.054 0.000 0.939 284 Q CB 0.489 29.248 28.738 0.035 0.000 1.063 284 Q HN 0.069 nan 8.270 nan 0.000 0.516 291 H N 0.542 119.617 119.070 0.008 0.000 2.524 291 H HA 0.073 4.629 4.556 0.000 0.000 0.282 291 H C 1.901 177.233 175.328 0.007 0.000 1.016 291 H CA 1.342 57.394 56.048 0.008 0.000 1.270 291 H CB 0.230 29.996 29.762 0.007 0.000 1.394 291 H HN 0.430 nan 8.280 nan 0.000 0.568 292 G N 0.481 109.349 108.800 0.113 0.000 2.404 292 G HA2 -0.148 3.813 3.960 0.001 0.000 0.215 292 G HA3 -0.148 3.813 3.960 0.001 0.000 0.215 292 G C 0.447 175.376 174.900 0.048 0.000 1.174 292 G CA 0.420 45.561 45.100 0.068 0.000 0.780 292 G HN 0.365 nan 8.290 nan 0.000 0.537 293 Q N -0.092 119.730 119.800 0.036 0.000 2.378 293 Q HA 0.614 4.954 4.340 0.001 0.000 0.276 293 Q C -2.943 173.072 176.000 0.024 0.000 1.083 293 Q CA -2.590 53.228 55.803 0.025 0.000 0.856 293 Q CB -0.014 28.734 28.738 0.016 0.000 1.383 293 Q HN -0.063 nan 8.270 nan 0.000 0.458 294 P HA 0.027 nan 4.420 nan 0.000 0.268 294 P C -0.705 176.602 177.300 0.011 0.000 1.204 294 P CA -0.370 62.742 63.100 0.019 0.000 0.768 294 P CB 0.441 32.151 31.700 0.018 0.000 0.842 295 L N 4.196 125.423 121.223 0.007 0.000 2.562 295 L HA 0.109 4.450 4.340 0.001 0.000 0.271 295 L C 0.162 177.038 176.870 0.009 0.000 1.167 295 L CA 1.074 55.913 54.840 -0.001 0.000 0.917 295 L CB -0.537 41.517 42.059 -0.008 0.000 1.187 295 L HN 0.609 nan 8.230 nan 0.000 0.482 296 T N 0.117 114.677 114.554 0.009 0.000 2.883 296 T HA 0.325 4.676 4.350 0.001 0.000 0.296 296 T C 1.141 175.848 174.700 0.012 0.000 1.117 296 T CA -0.796 61.314 62.100 0.016 0.000 1.006 296 T CB 1.635 70.513 68.868 0.017 0.000 1.191 296 T HN 0.151 nan 8.240 nan 0.000 0.508 297 V N 0.703 120.627 119.914 0.017 0.000 2.380 297 V HA -0.171 3.950 4.120 0.001 0.000 0.251 297 V C 2.382 178.478 176.094 0.003 0.000 1.063 297 V CA 2.242 64.549 62.300 0.011 0.000 1.055 297 V CB -0.960 30.869 31.823 0.011 0.000 0.657 297 V HN 0.910 nan 8.190 nan 0.000 0.455 298 D N 0.347 120.749 120.400 0.004 0.000 2.097 298 D HA -0.135 4.506 4.640 0.001 0.000 0.195 298 D C 2.449 178.747 176.300 -0.003 0.000 0.989 298 D CA 1.797 55.797 54.000 -0.001 0.000 0.827 298 D CB -0.230 40.571 40.800 0.002 0.000 0.966 298 D HN 0.584 nan 8.370 nan 0.000 0.456 299 S N -0.363 115.336 115.700 -0.001 0.000 2.453 299 S HA -0.047 4.424 4.470 0.001 0.000 0.231 299 S C 2.068 176.663 174.600 -0.009 0.000 1.005 299 S CA 0.248 58.446 58.200 -0.004 0.000 0.949 299 S CB -0.300 62.900 63.200 -0.002 0.000 0.774 299 S HN 0.260 nan 8.310 nan 0.000 0.510 300 L N 0.598 121.816 121.223 -0.008 0.000 2.072 300 L HA -0.048 4.292 4.340 0.001 0.000 0.205 300 L C 2.441 179.303 176.870 -0.012 0.000 1.079 300 L CA 1.545 56.378 54.840 -0.011 0.000 0.752 300 L CB -0.791 41.266 42.059 -0.005 0.000 0.906 300 L HN 0.483 nan 8.230 nan 0.000 0.436 301 C N -0.745 118.547 119.300 -0.013 0.000 2.466 301 C HA -0.130 4.331 4.460 0.001 0.000 0.278 301 C C 2.683 177.660 174.990 -0.022 0.000 1.288 301 C CA 0.245 59.250 59.018 -0.022 0.000 1.722 301 C CB -0.612 27.112 27.740 -0.027 0.000 2.017 301 C HN 0.539 nan 8.230 nan 0.000 0.488 302 Q N 0.744 120.534 119.800 -0.017 0.000 2.029 302 Q HA -0.266 4.074 4.340 0.001 0.000 0.209 302 Q C 2.522 178.514 176.000 -0.013 0.000 0.999 302 Q CA 2.246 58.040 55.803 -0.014 0.000 0.857 302 Q CB -0.422 28.310 28.738 -0.009 0.000 0.926 302 Q HN 0.718 nan 8.270 nan 0.000 0.415 303 A N 0.800 123.614 122.820 -0.011 0.000 1.903 303 A HA -0.255 4.066 4.320 0.001 0.000 0.219 303 A C 2.261 179.839 177.584 -0.011 0.000 1.191 303 A CA 2.216 54.248 52.037 -0.010 0.000 0.638 303 A CB -0.989 18.003 19.000 -0.013 0.000 0.823 303 A HN 0.521 nan 8.150 nan 0.000 0.451 304 A N -0.465 122.346 122.820 -0.014 0.000 1.877 304 A HA -0.038 4.282 4.320 0.001 0.000 0.216 304 A C 2.101 179.676 177.584 -0.015 0.000 1.186 304 A CA 1.561 53.590 52.037 -0.014 0.000 0.620 304 A CB -0.633 18.357 19.000 -0.016 0.000 0.822 304 A HN 0.501 nan 8.150 nan 0.000 0.443 305 L N -0.890 120.321 121.223 -0.020 0.000 2.376 305 L HA -0.052 4.288 4.340 0.001 0.000 0.219 305 L C 1.894 178.755 176.870 -0.015 0.000 1.133 305 L CA 0.513 55.340 54.840 -0.022 0.000 0.816 305 L CB -0.263 41.779 42.059 -0.029 0.000 0.933 305 L HN 0.279 nan 8.230 nan 0.000 0.449 306 R N 0.095 120.589 120.500 -0.010 0.000 2.388 306 R HA 0.245 4.585 4.340 0.001 0.000 0.247 306 R C 1.137 177.436 176.300 -0.003 0.000 0.931 306 R CA 0.692 56.789 56.100 -0.006 0.000 1.082 306 R CB 0.625 30.923 30.300 -0.003 0.000 1.135 306 R HN 0.376 nan 8.270 nan 0.000 0.525 307 G N 1.625 110.422 108.800 -0.004 0.000 2.213 307 G HA2 -0.296 3.665 3.960 0.001 0.000 0.236 307 G HA3 -0.296 3.665 3.960 0.001 0.000 0.236 307 G C -0.066 174.834 174.900 0.000 0.000 0.991 307 G CA 0.080 45.179 45.100 -0.002 0.000 0.629 307 G HN 0.454 nan 8.290 nan 0.000 0.517 308 D N 0.998 121.398 120.400 -0.001 0.000 2.426 308 D HA 0.337 4.977 4.640 0.001 0.000 0.261 308 D C 2.013 178.313 176.300 -0.000 0.000 1.245 308 D CA 0.033 54.033 54.000 0.001 0.000 0.917 308 D CB 0.094 40.892 40.800 -0.003 0.000 1.123 308 D HN 0.240 nan 8.370 nan 0.000 0.508 309 L N 3.765 124.990 121.223 0.003 0.000 2.079 309 L HA -0.179 4.162 4.340 0.001 0.000 0.210 309 L C 2.330 179.201 176.870 0.001 0.000 1.081 309 L CA 0.630 55.472 54.840 0.003 0.000 0.752 309 L CB -0.385 41.678 42.059 0.006 0.000 0.896 309 L HN 0.641 nan 8.230 nan 0.000 0.433 310 L N -0.248 120.975 121.223 -0.001 0.000 1.976 310 L HA -0.229 4.112 4.340 0.001 0.000 0.209 310 L C 2.849 179.715 176.870 -0.007 0.000 1.071 310 L CA 1.671 56.508 54.840 -0.005 0.000 0.746 310 L CB -0.460 41.590 42.059 -0.015 0.000 0.890 310 L HN 0.272 nan 8.230 nan 0.000 0.432 311 A N -0.173 122.640 122.820 -0.013 0.000 1.883 311 A HA -0.308 4.013 4.320 0.001 0.000 0.217 311 A C 2.330 179.911 177.584 -0.005 0.000 1.186 311 A CA 2.213 54.243 52.037 -0.012 0.000 0.624 311 A CB -0.567 18.424 19.000 -0.015 0.000 0.822 311 A HN 0.413 nan 8.150 nan 0.000 0.444 312 K N -0.610 119.787 120.400 -0.004 0.000 2.032 312 K HA -0.255 4.066 4.320 0.001 0.000 0.209 312 K C 1.822 178.424 176.600 0.003 0.000 1.048 312 K CA 1.959 58.245 56.287 -0.002 0.000 0.927 312 K CB -0.284 32.215 32.500 -0.002 0.000 0.712 312 K HN 0.463 nan 8.250 nan 0.000 0.441 313 D N 0.189 120.592 120.400 0.004 0.000 2.117 313 D HA -0.143 4.497 4.640 0.001 0.000 0.197 313 D C 1.797 178.105 176.300 0.014 0.000 0.987 313 D CA 1.257 55.261 54.000 0.008 0.000 0.829 313 D CB 0.040 40.845 40.800 0.008 0.000 0.961 313 D HN 0.258 nan 8.370 nan 0.000 0.460 314 I N 0.222 120.800 120.570 0.014 0.000 2.127 314 I HA -0.257 3.914 4.170 0.001 0.000 0.241 314 I C 2.391 178.527 176.117 0.030 0.000 1.075 314 I CA 0.883 62.197 61.300 0.023 0.000 1.334 314 I CB -0.268 37.742 38.000 0.016 0.000 1.040 314 I HN 0.117 nan 8.210 nan 0.000 0.405 315 I N 0.089 120.672 120.570 0.021 0.000 2.208 315 I HA -0.298 3.873 4.170 0.001 0.000 0.245 315 I C 2.569 178.705 176.117 0.032 0.000 1.097 315 I CA 1.562 62.878 61.300 0.026 0.000 1.363 315 I CB -0.660 37.347 38.000 0.012 0.000 1.051 315 I HN 0.264 nan 8.210 nan 0.000 0.413 316 T N 0.561 115.128 114.554 0.021 0.000 2.803 316 T HA -0.143 4.207 4.350 0.001 0.000 0.269 316 T C 1.817 176.523 174.700 0.009 0.000 1.052 316 T CA 1.516 63.624 62.100 0.014 0.000 1.136 316 T CB -0.542 68.329 68.868 0.005 0.000 0.864 316 T HN 0.621 nan 8.240 nan 0.000 0.467 317 G N 0.760 109.575 108.800 0.024 0.000 2.433 317 G HA2 -0.171 3.790 3.960 0.001 0.000 0.216 317 G HA3 -0.171 3.790 3.960 0.001 0.000 0.216 317 G C 1.693 176.644 174.900 0.085 0.000 1.186 317 G CA 0.962 46.084 45.100 0.036 0.000 0.779 317 G HN 0.439 nan 8.290 nan 0.000 0.543 318 V N 1.750 121.731 119.914 0.112 0.000 2.255 318 V HA -0.122 3.999 4.120 0.001 0.000 0.247 318 V C 3.199 179.357 176.094 0.106 0.000 1.051 318 V CA 2.181 64.561 62.300 0.133 0.000 1.018 318 V CB -1.271 30.607 31.823 0.092 0.000 0.641 318 V HN 0.449 nan 8.190 nan 0.000 0.445 319 G N -0.437 108.406 108.800 0.071 0.000 2.469 319 G HA2 -0.283 3.678 3.960 0.001 0.000 0.219 319 G HA3 -0.283 3.678 3.960 0.001 0.000 0.219 319 G C 1.763 176.684 174.900 0.035 0.000 1.150 319 G CA 1.324 46.464 45.100 0.066 0.000 0.763 319 G HN 0.651 nan 8.290 nan 0.000 0.561 320 A N 0.004 122.814 122.820 -0.017 0.000 1.902 320 A HA -0.083 4.237 4.320 0.001 0.000 0.217 320 A C 2.208 179.737 177.584 -0.092 0.000 1.181 320 A CA 1.809 53.794 52.037 -0.086 0.000 0.623 320 A CB -0.688 18.207 19.000 -0.174 0.000 0.818 320 A HN 0.452 nan 8.150 nan 0.000 0.443 321 H N -0.725 118.358 119.070 0.022 0.000 2.299 321 H HA -0.065 4.491 4.556 0.001 0.000 0.302 321 H C 2.327 177.665 175.328 0.017 0.000 1.078 321 H CA 1.782 57.841 56.048 0.018 0.000 1.323 321 H CB -0.608 29.164 29.762 0.017 0.000 1.381 321 H HN 0.254 nan 8.280 nan 0.000 0.498 322 V N 0.628 120.630 119.914 0.148 0.000 2.568 322 V HA -0.192 3.929 4.120 0.001 0.000 0.253 322 V C 2.581 178.707 176.094 0.054 0.000 1.072 322 V CA 1.688 64.038 62.300 0.084 0.000 1.084 322 V CB -0.956 30.909 31.823 0.070 0.000 0.676 322 V HN 0.532 nan 8.190 nan 0.000 0.469 323 G N -0.558 108.269 108.800 0.045 0.000 2.396 323 G HA2 -0.223 3.738 3.960 0.001 0.000 0.214 323 G HA3 -0.223 3.738 3.960 0.001 0.000 0.214 323 G C 1.681 176.597 174.900 0.026 0.000 1.166 323 G CA 0.650 45.764 45.100 0.023 0.000 0.793 323 G HN 0.435 nan 8.290 nan 0.000 0.533 324 R N -0.292 120.228 120.500 0.033 0.000 2.081 324 R HA -0.018 4.322 4.340 0.001 0.000 0.235 324 R C 2.319 178.645 176.300 0.044 0.000 1.131 324 R CA 1.272 57.394 56.100 0.036 0.000 0.960 324 R CB -0.297 30.034 30.300 0.051 0.000 0.856 324 R HN 0.337 nan 8.270 nan 0.000 0.436 325 I N 0.369 120.972 120.570 0.055 0.000 2.500 325 I HA -0.175 3.995 4.170 0.001 0.000 0.252 325 I C 1.745 177.893 176.117 0.051 0.000 1.142 325 I CA 0.555 61.886 61.300 0.051 0.000 1.451 325 I CB -0.055 37.976 38.000 0.052 0.000 1.093 325 I HN 0.183 nan 8.210 nan 0.000 0.430 326 L N 0.105 121.352 121.223 0.041 0.000 2.156 326 L HA -0.025 4.316 4.340 0.001 0.000 0.208 326 L C 2.492 179.389 176.870 0.045 0.000 1.095 326 L CA 1.773 56.635 54.840 0.037 0.000 0.770 326 L CB -1.284 40.781 42.059 0.010 0.000 0.914 326 L HN 0.234 nan 8.230 nan 0.000 0.439 327 A N -0.810 122.032 122.820 0.037 0.000 1.929 327 A HA -0.024 4.297 4.320 0.001 0.000 0.216 327 A C 1.571 179.181 177.584 0.043 0.000 1.176 327 A CA 0.456 52.515 52.037 0.037 0.000 0.628 327 A CB -0.461 18.554 19.000 0.024 0.000 0.816 327 A HN 0.256 nan 8.150 nan 0.000 0.444 331 N N 0.905 119.696 118.700 0.153 0.000 2.192 331 N HA -0.075 4.665 4.740 0.001 0.000 0.188 331 N C 1.602 177.179 175.510 0.113 0.000 1.013 331 N CA 1.831 54.981 53.050 0.167 0.000 0.863 331 N CB -0.026 38.491 38.487 0.049 0.000 0.990 331 N HN 0.499 nan 8.380 nan 0.000 0.430 332 L N -1.635 119.559 121.223 -0.049 0.000 2.168 332 L HA 0.058 4.399 4.340 0.001 0.000 0.203 332 L C 1.468 178.118 176.870 -0.368 0.000 1.078 332 L CA 0.773 55.434 54.840 -0.299 0.000 0.780 332 L CB -0.226 41.480 42.059 -0.588 0.000 0.939 332 L HN 0.023 nan 8.230 nan 0.000 0.451 333 F N -1.287 118.652 119.950 -0.019 0.000 2.717 333 F HA 0.159 4.686 4.527 0.001 0.000 0.297 333 F C 0.890 176.582 175.800 -0.179 0.000 1.113 333 F CA -0.291 57.662 58.000 -0.077 0.000 1.319 333 F CB 0.172 39.132 39.000 -0.067 0.000 1.097 333 F HN 0.111 nan 8.300 nan 0.000 0.595 334 N N 2.084 120.715 118.700 -0.115 0.000 2.642 334 N HA -0.139 4.601 4.740 0.001 0.000 0.269 334 N C -2.810 172.570 175.510 -0.216 0.000 1.073 334 N CA -0.530 52.246 53.050 -0.458 0.000 0.748 334 N CB -0.184 37.625 38.487 -1.130 0.000 0.894 334 N HN 0.015 nan 8.380 nan 0.000 0.548 335 P HA 0.070 nan 4.420 nan 0.000 0.281 335 P C 0.011 177.265 177.300 -0.076 0.000 1.249 335 P CA -0.103 62.952 63.100 -0.076 0.000 0.810 335 P CB 0.918 32.585 31.700 -0.055 0.000 1.008 336 Q N 0.644 120.403 119.800 -0.068 0.000 2.033 336 Q HA 0.007 4.347 4.340 0.001 0.000 0.196 336 Q C 0.452 176.425 176.000 -0.045 0.000 0.970 336 Q CA 1.330 57.105 55.803 -0.048 0.000 0.828 336 Q CB -0.015 28.697 28.738 -0.044 0.000 0.895 336 Q HN 0.448 nan 8.270 nan 0.000 0.440 337 K N 0.552 120.916 120.400 -0.060 0.000 2.259 337 K HA 0.543 4.864 4.320 0.001 0.000 0.249 337 K C -1.008 175.538 176.600 -0.090 0.000 0.942 337 K CA -0.462 55.784 56.287 -0.069 0.000 0.816 337 K CB 2.057 34.518 32.500 -0.065 0.000 1.155 337 K HN -0.006 nan 8.250 nan 0.000 0.428 338 I N 3.781 124.284 120.570 -0.111 0.000 2.447 338 I HA 0.313 4.484 4.170 0.001 0.000 0.287 338 I C -0.624 175.383 176.117 -0.182 0.000 1.023 338 I CA -0.793 60.422 61.300 -0.142 0.000 1.083 338 I CB 1.337 39.251 38.000 -0.143 0.000 1.245 338 I HN 0.311 nan 8.210 nan 0.000 0.434 339 L N 6.577 127.694 121.223 -0.176 0.000 2.309 339 L HA 0.542 4.883 4.340 0.001 0.000 0.282 339 L C -0.704 176.041 176.870 -0.207 0.000 1.036 339 L CA -0.841 53.890 54.840 -0.182 0.000 0.806 339 L CB 2.004 43.965 42.059 -0.162 0.000 1.220 339 L HN 0.439 nan 8.230 nan 0.000 0.429 340 I N 1.954 122.415 120.570 -0.183 0.000 2.355 340 I HA 0.387 4.558 4.170 0.001 0.000 0.288 340 I C 0.530 176.629 176.117 -0.030 0.000 0.999 340 I CA 0.131 61.370 61.300 -0.102 0.000 1.163 340 I CB 1.788 39.766 38.000 -0.037 0.000 1.316 340 I HN 0.548 nan 8.210 nan 0.000 0.454 341 G N 3.901 112.617 108.800 -0.141 0.000 2.522 341 G HA2 0.594 4.554 3.960 0.001 0.000 0.318 341 G HA3 0.594 4.554 3.960 0.001 0.000 0.318 341 G C -0.770 174.184 174.900 0.090 0.000 1.192 341 G CA -0.277 44.759 45.100 -0.107 0.000 0.988 341 G HN 0.554 nan 8.290 nan 0.000 0.480 342 S N 2.541 118.350 115.700 0.183 0.000 2.580 342 S HA 0.511 4.981 4.470 0.001 0.000 0.281 342 S C -2.445 172.219 174.600 0.107 0.000 1.129 342 S CA -0.664 57.617 58.200 0.135 0.000 0.862 342 S CB 1.888 65.148 63.200 0.101 0.000 1.090 342 S HN 0.112 nan 8.310 nan 0.000 0.451 343 P HA 0.076 nan 4.420 nan 0.000 0.222 343 P C 1.370 178.683 177.300 0.022 0.000 1.147 343 P CA 0.639 63.760 63.100 0.033 0.000 0.790 343 P CB 0.018 31.720 31.700 0.004 0.000 0.780 344 L N -0.338 120.904 121.223 0.032 0.000 2.265 344 L HA -0.122 4.218 4.340 0.001 0.000 0.215 344 L C 2.187 179.043 176.870 -0.024 0.000 1.117 344 L CA 1.643 56.493 54.840 0.016 0.000 0.782 344 L CB -1.067 41.019 42.059 0.044 0.000 0.914 344 L HN 0.123 nan 8.230 nan 0.000 0.441 345 S N -1.060 114.637 115.700 -0.004 0.000 2.595 345 S HA -0.092 4.378 4.470 0.001 0.000 0.235 345 S C 1.712 176.215 174.600 -0.161 0.000 0.974 345 S CA 0.334 58.460 58.200 -0.123 0.000 0.942 345 S CB -0.252 62.975 63.200 0.044 0.000 0.766 345 S HN 0.318 nan 8.310 nan 0.000 0.536 346 K N 1.699 122.049 120.400 -0.083 0.000 2.209 346 K HA 0.081 4.401 4.320 0.001 0.000 0.204 346 K C 1.483 178.016 176.600 -0.111 0.000 1.048 346 K CA 1.208 57.449 56.287 -0.077 0.000 0.940 346 K CB -0.525 31.951 32.500 -0.040 0.000 0.729 346 K HN 0.577 nan 8.250 nan 0.000 0.451 347 A N 0.276 123.015 122.820 -0.134 0.000 2.610 347 A HA 0.465 4.785 4.320 0.001 0.000 0.286 347 A C 1.726 179.158 177.584 -0.254 0.000 1.306 347 A CA 0.593 52.544 52.037 -0.143 0.000 0.942 347 A CB -0.094 18.857 19.000 -0.082 0.000 1.112 347 A HN 0.138 nan 8.150 nan 0.000 0.527 348 A N 0.955 123.501 122.820 -0.457 0.000 1.923 348 A HA -0.319 4.001 4.320 0.001 0.000 0.222 348 A C 1.636 178.920 177.584 -0.499 0.000 1.258 348 A CA 2.428 53.900 52.037 -0.941 0.000 0.670 348 A CB -0.648 17.708 19.000 -1.073 0.000 0.834 348 A HN 0.459 nan 8.150 nan 0.000 0.470 349 D N -0.789 119.456 120.400 -0.259 0.000 2.271 349 D HA -0.106 4.534 4.640 0.001 0.000 0.207 349 D C 1.653 177.915 176.300 -0.063 0.000 0.983 349 D CA 1.285 55.216 54.000 -0.114 0.000 0.878 349 D CB -0.162 40.591 40.800 -0.078 0.000 0.920 349 D HN 0.649 nan 8.370 nan 0.000 0.479 350 I N -0.856 119.667 120.570 -0.077 0.000 3.194 350 I HA -0.034 4.136 4.170 0.001 0.000 0.271 350 I C 2.273 178.394 176.117 0.006 0.000 1.150 350 I CA -0.128 61.156 61.300 -0.026 0.000 1.440 350 I CB 0.266 38.250 38.000 -0.026 0.000 1.276 350 I HN -0.052 nan 8.210 nan 0.000 0.457 351 L N 1.016 122.230 121.223 -0.014 0.000 1.971 351 L HA -0.263 4.078 4.340 0.001 0.000 0.215 351 L C 2.672 179.694 176.870 0.253 0.000 1.072 351 L CA 2.262 57.157 54.840 0.092 0.000 0.758 351 L CB -0.442 41.668 42.059 0.085 0.000 0.889 351 L HN 0.202 nan 8.230 nan 0.000 0.433 352 F N -0.034 119.917 119.950 0.003 0.000 2.102 352 F HA -0.175 4.353 4.527 0.001 0.000 0.298 352 F C -0.041 175.761 175.800 0.003 0.000 1.105 352 F CA 0.550 58.551 58.000 0.002 0.000 1.239 352 F CB -1.653 37.347 39.000 0.001 0.000 0.991 352 F HN 0.227 nan 8.300 nan 0.000 0.474 353 P HA -0.132 nan 4.420 nan 0.000 0.219 353 P C 1.640 178.986 177.300 0.077 0.000 1.146 353 P CA 1.035 64.199 63.100 0.107 0.000 0.808 353 P CB 0.001 31.745 31.700 0.073 0.000 0.779 354 V N -0.690 119.273 119.914 0.082 0.000 2.323 354 V HA -0.191 3.930 4.120 0.001 0.000 0.244 354 V C 2.292 178.414 176.094 0.046 0.000 1.041 354 V CA 1.422 63.753 62.300 0.052 0.000 1.025 354 V CB -0.888 30.962 31.823 0.046 0.000 0.656 354 V HN 0.034 nan 8.190 nan 0.000 0.451 355 I N -0.098 120.513 120.570 0.068 0.000 2.127 355 I HA -0.264 3.906 4.170 0.001 0.000 0.241 355 I C 2.602 178.726 176.117 0.012 0.000 1.075 355 I CA 1.813 63.134 61.300 0.035 0.000 1.334 355 I CB -0.342 37.670 38.000 0.022 0.000 1.040 355 I HN 0.248 nan 8.210 nan 0.000 0.405 356 S N 0.234 115.944 115.700 0.017 0.000 2.383 356 S HA -0.214 4.257 4.470 0.001 0.000 0.229 356 S C 1.553 176.162 174.600 0.014 0.000 1.030 356 S CA 1.542 59.747 58.200 0.008 0.000 1.002 356 S CB -0.368 62.845 63.200 0.021 0.000 0.829 356 S HN 0.433 nan 8.310 nan 0.000 0.467 357 D N 1.176 121.588 120.400 0.020 0.000 2.144 357 D HA -0.023 4.618 4.640 0.001 0.000 0.199 357 D C 2.170 178.474 176.300 0.007 0.000 0.984 357 D CA 0.968 54.976 54.000 0.014 0.000 0.834 357 D CB -0.391 40.418 40.800 0.014 0.000 0.955 357 D HN 0.256 nan 8.370 nan 0.000 0.465 358 S N 0.132 115.835 115.700 0.006 0.000 2.348 358 S HA -0.106 4.364 4.470 0.001 0.000 0.221 358 S C 2.175 176.778 174.600 0.005 0.000 1.033 358 S CA 0.583 58.784 58.200 0.002 0.000 1.010 358 S CB -0.244 62.957 63.200 0.001 0.000 0.891 358 S HN 0.250 nan 8.310 nan 0.000 0.442 359 I N 1.285 121.859 120.570 0.007 0.000 2.118 359 I HA -0.261 3.910 4.170 0.001 0.000 0.241 359 I C 2.727 178.851 176.117 0.011 0.000 1.070 359 I CA 1.430 62.737 61.300 0.012 0.000 1.327 359 I CB -0.315 37.690 38.000 0.008 0.000 1.034 359 I HN 0.144 nan 8.210 nan 0.000 0.405 360 R N 0.141 120.645 120.500 0.008 0.000 2.105 360 R HA -0.194 4.147 4.340 0.001 0.000 0.239 360 R C 2.182 178.481 176.300 -0.003 0.000 1.135 360 R CA 1.480 57.582 56.100 0.003 0.000 0.967 360 R CB -0.119 30.184 30.300 0.006 0.000 0.861 360 R HN 0.501 nan 8.270 nan 0.000 0.442 361 Q N -1.213 118.586 119.800 -0.002 0.000 2.396 361 Q HA -0.000 4.340 4.340 0.001 0.000 0.209 361 Q C 0.921 176.917 176.000 -0.008 0.000 0.906 361 Q CA 0.571 56.370 55.803 -0.006 0.000 0.927 361 Q CB 0.868 29.603 28.738 -0.005 0.000 1.069 361 Q HN 0.351 nan 8.270 nan 0.000 0.523 362 Q N -1.037 118.760 119.800 -0.004 0.000 2.140 362 Q HA 0.340 4.681 4.340 0.001 0.000 0.227 362 Q C -0.468 175.531 176.000 -0.002 0.000 0.798 362 Q CA -0.237 55.564 55.803 -0.004 0.000 0.987 362 Q CB 1.792 30.530 28.738 0.001 0.000 1.161 362 Q HN 0.068 nan 8.270 nan 0.000 0.480 363 A N 0.627 123.448 122.820 0.003 0.000 2.356 363 A HA 0.511 4.832 4.320 0.001 0.000 0.323 363 A C -0.573 176.999 177.584 -0.019 0.000 1.119 363 A CA -0.684 51.358 52.037 0.009 0.000 0.790 363 A CB 0.835 19.864 19.000 0.048 0.000 1.273 363 A HN 0.290 nan 8.150 nan 0.000 0.452 364 L N 2.388 123.572 121.223 -0.065 0.000 2.706 364 L HA -0.039 4.302 4.340 0.001 0.000 0.282 364 L C -1.342 175.476 176.870 -0.087 0.000 1.219 364 L CA -0.629 54.125 54.840 -0.145 0.000 0.935 364 L CB 0.912 42.748 42.059 -0.370 0.000 1.204 364 L HN 0.590 nan 8.230 nan 0.000 0.491 365 P HA -0.251 nan 4.420 nan 0.000 0.216 365 P C 1.356 178.623 177.300 -0.055 0.000 1.157 365 P CA 1.927 64.991 63.100 -0.060 0.000 0.880 365 P CB 0.160 31.821 31.700 -0.064 0.000 0.791 366 A N -1.561 121.213 122.820 -0.078 0.000 1.958 366 A HA -0.259 4.061 4.320 0.001 0.000 0.221 366 A C 1.965 179.637 177.584 0.147 0.000 1.178 366 A CA 1.932 53.955 52.037 -0.023 0.000 0.642 366 A CB -1.831 17.123 19.000 -0.076 0.000 0.816 366 A HN 0.177 nan 8.150 nan 0.000 0.453 367 Y N -0.028 120.247 120.300 -0.043 0.000 2.476 367 Y HA 0.039 4.590 4.550 0.001 0.000 0.283 367 Y C 2.754 178.634 175.900 -0.033 0.000 1.109 367 Y CA 0.507 58.589 58.100 -0.029 0.000 1.246 367 Y CB -0.588 37.862 38.460 -0.017 0.000 1.068 367 Y HN 0.468 nan 8.280 nan 0.000 0.552 368 S N -1.211 114.560 115.700 0.117 0.000 2.556 368 S HA 0.006 4.477 4.470 0.001 0.000 0.216 368 S C 1.657 176.252 174.600 -0.007 0.000 0.970 368 S CA 0.125 58.354 58.200 0.049 0.000 0.912 368 S CB 0.053 63.272 63.200 0.032 0.000 0.790 368 S HN 0.239 nan 8.310 nan 0.000 0.504 369 Q N 2.119 121.883 119.800 -0.061 0.000 1.880 369 Q HA -0.229 4.111 4.340 0.001 0.000 0.243 369 Q C 0.157 176.012 176.000 -0.242 0.000 1.047 369 Q CA 2.094 57.750 55.803 -0.245 0.000 0.893 369 Q CB -0.284 28.250 28.738 -0.340 0.000 0.999 369 Q HN 0.678 nan 8.270 nan 0.000 0.419 370 H N -0.486 118.597 119.070 0.023 0.000 2.369 370 H HA 0.337 4.894 4.556 0.001 0.000 0.228 370 H C -0.959 174.370 175.328 0.001 0.000 1.548 370 H CA -0.313 55.742 56.048 0.010 0.000 1.275 370 H CB -0.493 29.273 29.762 0.008 0.000 1.549 370 H HN 0.290 nan 8.280 nan 0.000 0.542 371 I N 2.558 123.182 120.570 0.090 0.000 2.312 371 I HA 0.112 4.283 4.170 0.001 0.000 0.290 371 I C -0.021 176.102 176.117 0.010 0.000 1.008 371 I CA -0.540 60.781 61.300 0.036 0.000 1.226 371 I CB 0.493 38.503 38.000 0.016 0.000 1.371 371 I HN 0.218 nan 8.210 nan 0.000 0.468 372 S N 6.718 122.412 115.700 -0.009 0.000 2.439 372 S HA 0.394 4.865 4.470 0.001 0.000 0.282 372 S C -0.388 174.155 174.600 -0.094 0.000 1.170 372 S CA -0.767 57.413 58.200 -0.034 0.000 1.054 372 S CB 1.173 64.357 63.200 -0.026 0.000 0.956 372 S HN 0.362 nan 8.310 nan 0.000 0.490 373 V N 4.666 124.495 119.914 -0.140 0.000 2.364 373 V HA 0.426 4.546 4.120 0.001 0.000 0.272 373 V C 0.057 175.904 176.094 -0.412 0.000 1.036 373 V CA -0.336 61.770 62.300 -0.322 0.000 0.880 373 V CB 0.298 31.892 31.823 -0.381 0.000 0.991 373 V HN 1.044 nan 8.190 nan 0.000 0.460 374 E N 2.863 122.819 120.200 -0.406 0.000 2.429 374 E HA 0.542 4.893 4.350 0.001 0.000 0.276 374 E C -0.934 175.622 176.600 -0.073 0.000 0.953 374 E CA -0.907 55.396 56.400 -0.162 0.000 0.787 374 E CB 1.600 31.293 29.700 -0.013 0.000 1.307 374 E HN 0.350 nan 8.360 nan 0.000 0.458 375 S N 0.585 116.451 115.700 0.277 0.000 2.549 375 S HA 0.046 4.517 4.470 0.001 0.000 0.283 375 S C 0.052 174.711 174.600 0.099 0.000 1.320 375 S CA -0.118 58.240 58.200 0.265 0.000 1.058 375 S CB 0.486 63.829 63.200 0.238 0.000 0.882 375 S HN 0.486 nan 8.310 nan 0.000 0.498 376 T N 2.868 117.477 114.554 0.092 0.000 2.940 376 T HA 0.020 4.371 4.350 0.001 0.000 0.309 376 T C 1.267 176.028 174.700 0.102 0.000 1.056 376 T CA 0.193 62.349 62.100 0.092 0.000 1.137 376 T CB 0.583 69.516 68.868 0.109 0.000 0.976 376 T HN 0.825 nan 8.240 nan 0.000 0.547 377 Q N 2.889 122.683 119.800 -0.010 0.000 2.083 377 Q HA 0.024 4.365 4.340 0.001 0.000 0.198 377 Q C -0.211 175.571 176.000 -0.363 0.000 0.969 377 Q CA 1.109 56.737 55.803 -0.293 0.000 0.838 377 Q CB 0.088 28.464 28.738 -0.603 0.000 0.900 377 Q HN 0.747 nan 8.270 nan 0.000 0.436 378 F N -1.190 118.891 119.950 0.218 0.000 2.461 378 F HA 0.335 4.862 4.527 0.001 0.000 0.337 378 F C 1.185 177.089 175.800 0.173 0.000 1.079 378 F CA -1.006 57.066 58.000 0.120 0.000 1.032 378 F CB 1.114 40.124 39.000 0.015 0.000 1.327 378 F HN -0.296 nan 8.300 nan 0.000 0.491 379 S N -0.630 115.147 115.700 0.129 0.000 2.557 379 S HA 0.032 4.503 4.470 0.001 0.000 0.223 379 S C -0.059 173.931 174.600 -1.018 0.000 0.969 379 S CA -0.181 57.900 58.200 -0.200 0.000 0.927 379 S CB -1.044 62.080 63.200 -0.126 0.000 0.806 379 S HN 0.715 nan 8.310 nan 0.000 0.489 380 N N 1.893 119.959 118.700 -1.057 0.000 2.637 380 N HA -0.246 4.494 4.740 0.001 0.000 0.287 380 N C 0.321 175.385 175.510 -0.743 0.000 1.130 380 N CA 0.372 52.776 53.050 -1.076 0.000 0.764 380 N CB -0.346 37.166 38.487 -1.626 0.000 0.935 380 N HN 0.303 nan 8.380 nan 0.000 0.558 381 Q N 0.630 120.084 119.800 -0.576 0.000 2.391 381 Q HA 0.285 4.626 4.340 0.001 0.000 0.211 381 Q C 1.277 176.757 176.000 -0.866 0.000 0.908 381 Q CA 0.777 56.190 55.803 -0.650 0.000 0.920 381 Q CB 0.552 29.040 28.738 -0.417 0.000 1.056 381 Q HN 0.553 nan 8.270 nan 0.000 0.523 382 G N 0.183 108.617 108.800 -0.610 0.000 2.491 382 G HA2 0.520 4.481 3.960 0.001 0.000 0.327 382 G HA3 0.520 4.481 3.960 0.001 0.000 0.327 382 G C -0.299 174.357 174.900 -0.407 0.000 1.189 382 G CA -0.321 44.487 45.100 -0.488 0.000 0.956 382 G HN 0.117 nan 8.290 nan 0.000 0.491 386 G N 0.377 109.274 108.800 0.162 0.000 2.422 386 G HA2 0.165 4.126 3.960 0.001 0.000 0.218 386 G HA3 0.165 4.126 3.960 0.001 0.000 0.218 386 G C 1.641 176.566 174.900 0.042 0.000 1.140 386 G CA 1.403 46.628 45.100 0.209 0.000 0.775 386 G HN 1.193 nan 8.290 nan 0.000 0.545 387 A N 1.435 124.352 122.820 0.161 0.000 1.903 387 A HA 0.046 4.367 4.320 0.001 0.000 0.219 387 A C 2.800 180.333 177.584 -0.085 0.000 1.191 387 A CA 2.715 54.794 52.037 0.071 0.000 0.638 387 A CB -0.904 18.265 19.000 0.282 0.000 0.823 387 A HN 0.864 nan 8.150 nan 0.000 0.451 388 A N -0.920 121.884 122.820 -0.027 0.000 1.968 388 A HA 0.131 4.452 4.320 0.001 0.000 0.217 388 A C 2.150 179.636 177.584 -0.163 0.000 1.169 388 A CA 1.238 53.229 52.037 -0.077 0.000 0.638 388 A CB -0.483 18.506 19.000 -0.017 0.000 0.812 388 A HN 0.475 nan 8.150 nan 0.000 0.446 389 L N -0.606 120.523 121.223 -0.157 0.000 2.046 389 L HA -0.150 4.191 4.340 0.001 0.000 0.208 389 L C 2.481 179.095 176.870 -0.426 0.000 1.077 389 L CA 1.052 55.747 54.840 -0.241 0.000 0.747 389 L CB -0.497 41.504 42.059 -0.097 0.000 0.896 389 L HN 0.245 nan 8.230 nan 0.000 0.432 390 V N -0.622 119.070 119.914 -0.370 0.000 2.323 390 V HA -0.198 3.923 4.120 0.001 0.000 0.244 390 V C 2.539 178.402 176.094 -0.384 0.000 1.041 390 V CA 1.352 63.431 62.300 -0.368 0.000 1.025 390 V CB -0.499 31.010 31.823 -0.522 0.000 0.656 390 V HN 0.347 nan 8.190 nan 0.000 0.451 391 K N -0.025 120.141 120.400 -0.390 0.000 2.103 391 K HA -0.216 4.104 4.320 0.001 0.000 0.207 391 K C 1.895 178.041 176.600 -0.755 0.000 1.048 391 K CA 1.637 57.603 56.287 -0.535 0.000 0.930 391 K CB -0.615 31.620 32.500 -0.441 0.000 0.716 391 K HN 0.423 nan 8.250 nan 0.000 0.444 392 D N 0.749 120.845 120.400 -0.508 0.000 2.104 392 D HA -0.092 4.549 4.640 0.001 0.000 0.194 392 D C 0.943 177.033 176.300 -0.350 0.000 0.994 392 D CA 1.051 54.818 54.000 -0.389 0.000 0.830 392 D CB -0.228 40.395 40.800 -0.295 0.000 0.959 392 D HN 0.195 nan 8.370 nan 0.000 0.452 396 N N 1.107 119.863 118.700 0.093 0.000 2.424 396 N HA 0.223 4.964 4.740 0.001 0.000 0.178 396 N C 1.629 177.150 175.510 0.018 0.000 1.060 396 N CA 1.417 54.489 53.050 0.036 0.000 0.901 396 N CB 0.369 38.853 38.487 -0.005 0.000 0.979 396 N HN 0.382 nan 8.380 nan 0.000 0.451 397 G N -0.561 108.240 108.800 0.002 0.000 2.195 397 G HA2 -0.372 3.589 3.960 0.001 0.000 0.246 397 G HA3 -0.372 3.589 3.960 0.001 0.000 0.246 397 G C 1.184 176.069 174.900 -0.024 0.000 0.984 397 G CA 0.892 45.981 45.100 -0.017 0.000 0.633 397 G HN 0.754 nan 8.290 nan 0.000 0.525 398 S N -0.148 115.543 115.700 -0.013 0.000 2.370 398 S HA 0.056 4.526 4.470 0.001 0.000 0.226 398 S C 2.225 176.842 174.600 0.028 0.000 1.033 398 S CA 1.500 59.711 58.200 0.017 0.000 1.011 398 S CB -0.226 62.999 63.200 0.041 0.000 0.852 398 S HN 0.613 nan 8.310 nan 0.000 0.457 399 L N 0.165 121.396 121.223 0.012 0.000 2.131 399 L HA 0.205 4.546 4.340 0.001 0.000 0.206 399 L C 2.618 179.444 176.870 -0.072 0.000 1.087 399 L CA 0.949 55.796 54.840 0.012 0.000 0.767 399 L CB -0.377 41.689 42.059 0.011 0.000 0.917 399 L HN 0.389 nan 8.230 nan 0.000 0.441 400 L N -0.445 120.698 121.223 -0.133 0.000 2.046 400 L HA -0.278 4.063 4.340 0.001 0.000 0.208 400 L C 2.449 179.261 176.870 -0.098 0.000 1.077 400 L CA 1.254 55.982 54.840 -0.186 0.000 0.747 400 L CB -0.065 41.872 42.059 -0.203 0.000 0.896 400 L HN 0.207 nan 8.230 nan 0.000 0.432 401 I N -0.660 119.880 120.570 -0.049 0.000 2.252 401 I HA -0.240 3.930 4.170 0.001 0.000 0.245 401 I C 2.569 178.684 176.117 -0.003 0.000 1.102 401 I CA 1.136 62.426 61.300 -0.017 0.000 1.385 401 I CB -0.508 37.490 38.000 -0.004 0.000 1.064 401 I HN 0.133 nan 8.210 nan 0.000 0.414 402 R N 0.070 120.570 120.500 -0.000 0.000 2.105 402 R HA -0.088 4.252 4.340 0.001 0.000 0.239 402 R C 2.172 178.489 176.300 0.028 0.000 1.135 402 R CA 1.356 57.466 56.100 0.017 0.000 0.967 402 R CB -0.837 29.477 30.300 0.023 0.000 0.861 402 R HN 0.379 nan 8.270 nan 0.000 0.442 403 L N 0.091 121.317 121.223 0.003 0.000 2.209 403 L HA 0.018 4.358 4.340 0.001 0.000 0.207 403 L C 2.074 178.978 176.870 0.056 0.000 1.094 403 L CA 0.375 55.235 54.840 0.033 0.000 0.790 403 L CB -0.246 41.745 42.059 -0.115 0.000 0.932 403 L HN 0.049 nan 8.230 nan 0.000 0.447 404 L N -0.272 120.957 121.223 0.011 0.000 2.622 404 L HA -0.129 4.212 4.340 0.001 0.000 0.233 404 L C 2.158 179.054 176.870 0.043 0.000 1.156 404 L CA 0.226 55.083 54.840 0.028 0.000 0.866 404 L CB -0.193 41.870 42.059 0.007 0.000 0.980 404 L HN 0.307 nan 8.230 nan 0.000 0.448 405 Q N -0.001 119.829 119.800 0.049 0.000 2.165 405 Q HA 0.217 4.557 4.340 0.001 0.000 0.197 405 Q C 1.018 177.055 176.000 0.061 0.000 0.952 405 Q CA 0.890 56.721 55.803 0.048 0.000 0.848 405 Q CB 0.382 29.144 28.738 0.040 0.000 0.931 405 Q HN 0.423 nan 8.270 nan 0.000 0.470 406 G N 0.000 108.853 108.800 0.088 0.000 5.446 406 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 406 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 406 G CA 0.000 45.158 45.100 0.096 0.000 0.502 406 G HN 0.000 nan 8.290 nan 0.000 0.925