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 2jg7_1_C DATA FIRST_RESID 1 DATA SEQUENCE SGLLINQPKY SWLKELGLSE DNPGVYNGSW GGSGEVITSY CPANNEPIAR DATA SEQUENCE VTQATLAEYE ETVQKTREAW KMWADIPAPK RGEIVRQIGD ALRKKIKVLG DATA SEQUENCE SLVSLEMGKI YVEGVGEVQE YVDVCDYAVG LSRMIGGPVL PSERPGHALI DATA SEQUENCE EQWNPVGLVG IITAFNFPVA VYGWNNAIAL TCGNVCLWKG APTTPLTSVA DATA SEQUENCE VTKIVAEVLE QNNLPGAICS MTCGGADIGT AMAKDERVDL LSFTGSTHVG DATA SEQUENCE KMVAMMVQER FGRKLLELGG NNAIIVFEDA DLNLVVPSAV FASVGTAGQR DATA SEQUENCE CTTTRRLMLH ESVHDAVVER IAKAYKQVRI GDPWDPSTLY GPLHTKQAVD DATA SEQUENCE QYLAAIEQAK QQGGTLVCGG KVMDRPGNYV EPTIITGLAH DAPIVHTETF DATA SEQUENCE VPILYVLKFK TEEEAFAWNN EVQQGLSSSI FTKDLGRVFR WLGPKGSDCG DATA SEQUENCE IVNVNIPTSG AEIGGAFGGE KHTGGGRESG SDSWKQYMRR STCTINYSKD DATA SEQUENCE LPLAQGIKF 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.596 174.600 -0.007 0.000 1.055 1 S CA 0.000 58.203 58.200 0.005 0.000 1.107 1 S CB 0.000 63.207 63.200 0.012 0.000 0.593 2 G N 2.805 111.595 108.800 -0.018 0.000 2.752 2 G HA2 -0.204 3.757 3.960 0.000 0.000 0.234 2 G HA3 -0.204 3.757 3.960 0.000 0.000 0.234 2 G C -0.601 174.258 174.900 -0.070 0.000 1.367 2 G CA -0.268 44.808 45.100 -0.039 0.000 0.879 2 G HN 0.984 nan 8.290 nan 0.000 0.563 3 L N 0.129 121.293 121.223 -0.097 0.000 2.397 3 L HA 0.263 4.603 4.340 0.000 0.000 0.271 3 L C 1.923 178.692 176.870 -0.169 0.000 1.148 3 L CA -1.089 53.660 54.840 -0.151 0.000 0.825 3 L CB 0.726 42.690 42.059 -0.159 0.000 1.117 3 L HN 0.500 nan 8.230 nan 0.000 0.456 4 L N 2.803 123.868 121.223 -0.262 0.000 2.042 4 L HA -0.218 4.122 4.340 0.000 0.000 0.210 4 L C 2.068 178.750 176.870 -0.313 0.000 1.076 4 L CA 1.646 56.245 54.840 -0.402 0.000 0.749 4 L CB -0.656 40.941 42.059 -0.771 0.000 0.893 4 L HN 0.612 nan 8.230 nan 0.000 0.432 5 I N -0.428 119.970 120.570 -0.286 0.000 2.335 5 I HA -0.336 3.835 4.170 0.000 0.000 0.251 5 I C 1.841 177.884 176.117 -0.124 0.000 1.129 5 I CA 1.114 62.281 61.300 -0.221 0.000 1.402 5 I CB -0.094 37.770 38.000 -0.227 0.000 1.069 5 I HN 0.410 nan 8.210 nan 0.000 0.424 6 N N 0.850 119.491 118.700 -0.098 0.000 2.459 6 N HA -0.071 4.669 4.740 0.000 0.000 0.181 6 N C 0.192 175.694 175.510 -0.013 0.000 1.046 6 N CA 0.511 53.527 53.050 -0.055 0.000 0.904 6 N CB -0.064 38.390 38.487 -0.055 0.000 0.964 6 N HN 0.558 nan 8.380 nan 0.000 0.444 7 Q N 0.445 120.259 119.800 0.023 0.000 2.293 7 Q HA 0.142 4.482 4.340 0.000 0.000 0.251 7 Q C -1.571 174.487 176.000 0.096 0.000 0.930 7 Q CA -1.660 54.194 55.803 0.085 0.000 0.893 7 Q CB 0.966 29.806 28.738 0.171 0.000 1.215 7 Q HN 0.030 nan 8.270 nan 0.000 0.425 8 P HA -0.222 nan 4.420 nan 0.000 0.216 8 P C 0.864 178.202 177.300 0.063 0.000 1.150 8 P CA 1.216 64.346 63.100 0.050 0.000 0.837 8 P CB 0.203 31.924 31.700 0.035 0.000 0.786 9 K N -1.355 119.082 120.400 0.061 0.000 2.366 9 K HA -0.181 4.140 4.320 0.000 0.000 0.202 9 K C 0.397 176.942 176.600 -0.091 0.000 1.045 9 K CA 1.339 57.615 56.287 -0.019 0.000 0.934 9 K CB -0.242 32.215 32.500 -0.072 0.000 0.746 9 K HN 0.210 nan 8.250 nan 0.000 0.470 10 Y N -0.745 119.577 120.300 0.036 0.000 2.719 10 Y HA 0.114 4.664 4.550 0.001 0.000 0.251 10 Y C 1.410 176.977 175.900 -0.554 0.000 1.159 10 Y CA -0.189 57.715 58.100 -0.327 0.000 1.166 10 Y CB 0.846 39.119 38.460 -0.311 0.000 1.219 10 Y HN 0.108 nan 8.280 nan 0.000 0.551 11 S N -0.600 115.024 115.700 -0.127 0.000 2.561 11 S HA -0.123 4.348 4.470 0.000 0.000 0.225 11 S C 1.611 176.176 174.600 -0.058 0.000 0.977 11 S CA 0.258 58.403 58.200 -0.093 0.000 0.926 11 S CB -0.758 62.444 63.200 0.002 0.000 0.769 11 S HN 0.696 nan 8.310 nan 0.000 0.533 12 W N 1.347 122.688 121.300 0.068 0.000 2.421 12 W HA 0.075 4.735 4.660 0.000 0.000 0.270 12 W C 1.061 177.596 176.519 0.025 0.000 1.233 12 W CA -0.126 57.247 57.345 0.047 0.000 1.226 12 W CB -0.997 28.500 29.460 0.061 0.000 1.121 12 W HN 0.274 nan 8.180 nan 0.000 0.579 13 L N 1.641 122.583 121.223 -0.469 0.000 2.261 13 L HA -0.182 4.158 4.340 0.000 0.000 0.216 13 L C 2.591 179.381 176.870 -0.133 0.000 1.114 13 L CA 1.451 56.066 54.840 -0.375 0.000 0.777 13 L CB -0.548 41.148 42.059 -0.605 0.000 0.910 13 L HN -0.086 nan 8.230 nan 0.000 0.440 14 K N -0.106 120.236 120.400 -0.096 0.000 2.296 14 K HA -0.101 4.219 4.320 0.000 0.000 0.200 14 K C 1.648 178.238 176.600 -0.016 0.000 1.048 14 K CA 0.740 56.989 56.287 -0.062 0.000 0.966 14 K CB -0.009 32.457 32.500 -0.055 0.000 0.754 14 K HN 0.431 nan 8.250 nan 0.000 0.466 15 E N 0.980 121.205 120.200 0.042 0.000 2.268 15 E HA -0.079 4.271 4.350 0.000 0.000 0.195 15 E C 1.491 178.117 176.600 0.044 0.000 0.995 15 E CA 0.560 56.997 56.400 0.061 0.000 0.836 15 E CB 0.009 29.780 29.700 0.119 0.000 0.763 15 E HN 0.232 nan 8.360 nan 0.000 0.491 16 L N -0.384 120.864 121.223 0.043 0.000 2.591 16 L HA 0.139 4.480 4.340 0.000 0.000 0.228 16 L C 1.146 177.992 176.870 -0.040 0.000 1.133 16 L CA 0.221 55.075 54.840 0.023 0.000 0.880 16 L CB 0.130 42.223 42.059 0.055 0.000 1.033 16 L HN 0.249 nan 8.230 nan 0.000 0.450 17 G N 0.605 109.365 108.800 -0.067 0.000 2.147 17 G HA2 -0.263 3.697 3.960 0.000 0.000 0.244 17 G HA3 -0.263 3.697 3.960 0.000 0.000 0.244 17 G C 0.040 174.840 174.900 -0.166 0.000 1.005 17 G CA -0.127 44.897 45.100 -0.128 0.000 0.713 17 G HN 0.232 nan 8.290 nan 0.000 0.515 18 L N 0.204 121.347 121.223 -0.134 0.000 2.360 18 L HA 0.810 5.151 4.340 0.000 0.000 0.271 18 L C 0.692 177.474 176.870 -0.146 0.000 1.057 18 L CA -0.214 54.536 54.840 -0.149 0.000 0.803 18 L CB 1.860 43.836 42.059 -0.138 0.000 1.207 18 L HN 0.284 nan 8.230 nan 0.000 0.445 19 S N -0.069 115.543 115.700 -0.146 0.000 2.806 19 S HA 0.301 4.771 4.470 0.000 0.000 0.306 19 S C 0.580 175.104 174.600 -0.128 0.000 1.167 19 S CA -0.565 57.557 58.200 -0.130 0.000 0.847 19 S CB 1.476 64.603 63.200 -0.123 0.000 1.216 19 S HN 0.723 nan 8.310 nan 0.000 0.532 20 E N 0.297 120.429 120.200 -0.113 0.000 2.033 20 E HA -0.125 4.225 4.350 0.000 0.000 0.199 20 E C -0.441 176.094 176.600 -0.107 0.000 1.011 20 E CA 1.729 58.063 56.400 -0.110 0.000 0.815 20 E CB -0.164 29.482 29.700 -0.090 0.000 0.755 20 E HN 0.611 nan 8.360 nan 0.000 0.451 21 D N 0.143 120.489 120.400 -0.090 0.000 2.185 21 D HA 0.278 4.918 4.640 0.000 0.000 0.247 21 D C -0.613 175.637 176.300 -0.084 0.000 1.027 21 D CA -0.355 53.597 54.000 -0.080 0.000 0.861 21 D CB 0.998 41.762 40.800 -0.059 0.000 1.202 21 D HN -0.051 nan 8.370 nan 0.000 0.453 22 N N 1.867 120.522 118.700 -0.075 0.000 2.249 22 N HA 0.344 5.084 4.740 0.000 0.000 0.296 22 N C -2.779 172.719 175.510 -0.020 0.000 1.051 22 N CA -1.459 51.544 53.050 -0.077 0.000 0.815 22 N CB 2.107 40.536 38.487 -0.096 0.000 1.487 22 N HN 0.088 nan 8.380 nan 0.000 0.475 23 P HA 0.128 nan 4.420 nan 0.000 0.271 23 P C 0.664 178.081 177.300 0.196 0.000 1.220 23 P CA -0.020 63.161 63.100 0.135 0.000 0.768 23 P CB 0.610 32.463 31.700 0.255 0.000 0.848 24 G N 2.025 110.906 108.800 0.135 0.000 3.126 24 G HA2 0.187 4.147 3.960 0.000 0.000 0.224 24 G HA3 0.187 4.147 3.960 0.000 0.000 0.224 24 G C -0.150 174.807 174.900 0.095 0.000 1.142 24 G CA 0.102 45.258 45.100 0.093 0.000 0.759 24 G HN 0.400 nan 8.290 nan 0.000 0.550 25 V N 0.404 120.401 119.914 0.138 0.000 2.459 25 V HA 0.541 4.661 4.120 0.000 0.000 0.295 25 V C -1.253 174.862 176.094 0.034 0.000 1.029 25 V CA -1.052 61.287 62.300 0.066 0.000 0.874 25 V CB 1.452 33.297 31.823 0.036 0.000 0.985 25 V HN 0.262 nan 8.190 nan 0.000 0.438 26 Y N 5.046 125.165 120.300 -0.302 0.000 2.421 26 Y HA 0.591 5.141 4.550 0.000 0.000 0.339 26 Y C 0.065 175.735 175.900 -0.383 0.000 0.996 26 Y CA -0.653 57.062 58.100 -0.642 0.000 1.046 26 Y CB 1.967 39.645 38.460 -1.304 0.000 1.226 26 Y HN 0.747 nan 8.280 nan 0.000 0.445 27 N N 2.812 120.855 118.700 -1.095 0.000 2.471 27 N HA 0.342 5.082 4.740 0.000 0.000 0.270 27 N C 0.406 175.431 175.510 -0.809 0.000 1.490 27 N CA 0.083 52.678 53.050 -0.759 0.000 0.850 27 N CB 1.046 39.309 38.487 -0.374 0.000 1.411 27 N HN 0.984 nan 8.380 nan 0.000 0.488 28 G N -0.264 107.685 108.800 -1.418 0.000 2.313 28 G HA2 -0.191 3.769 3.960 0.000 0.000 0.215 28 G HA3 -0.191 3.769 3.960 0.000 0.000 0.215 28 G C -0.100 174.548 174.900 -0.421 0.000 1.023 28 G CA 0.163 44.854 45.100 -0.682 0.000 0.626 28 G HN 1.163 nan 8.290 nan 0.000 0.503 29 S N -0.860 114.555 115.700 -0.475 0.000 2.569 29 S HA 0.723 5.193 4.470 0.000 0.000 0.280 29 S C -0.945 173.589 174.600 -0.109 0.000 1.111 29 S CA -0.845 57.287 58.200 -0.112 0.000 0.887 29 S CB 1.782 64.974 63.200 -0.013 0.000 1.095 29 S HN 0.571 nan 8.310 nan 0.000 0.476 30 W N 0.605 122.005 121.300 0.166 0.000 2.381 30 W HA 0.733 5.393 4.660 -0.000 0.000 0.329 30 W C 0.861 177.422 176.519 0.071 0.000 1.157 30 W CA 0.582 58.027 57.345 0.167 0.000 1.240 30 W CB 1.600 31.151 29.460 0.152 0.000 1.199 30 W HN 1.265 nan 8.180 nan 0.000 0.579 31 G N -0.287 108.694 108.800 0.301 0.000 2.364 31 G HA2 0.556 4.516 3.960 0.000 0.000 0.286 31 G HA3 0.556 4.516 3.960 0.000 0.000 0.286 31 G C -0.632 174.346 174.900 0.131 0.000 1.241 31 G CA 0.031 45.233 45.100 0.169 0.000 0.887 31 G HN 1.263 nan 8.290 nan 0.000 0.484 32 G N -1.923 106.924 108.800 0.079 0.000 2.957 32 G HA2 0.508 4.468 3.960 0.000 0.000 0.636 32 G HA3 0.508 4.468 3.960 0.000 0.000 0.636 32 G C -0.018 174.908 174.900 0.042 0.000 1.401 32 G CA 0.650 45.785 45.100 0.059 0.000 0.941 32 G HN 2.121 nan 8.290 nan 0.000 0.610 33 S N 0.517 116.236 115.700 0.032 0.000 3.082 33 S HA 0.609 5.079 4.470 0.000 0.000 0.253 33 S C 1.143 175.754 174.600 0.018 0.000 0.961 33 S CA 0.779 58.992 58.200 0.023 0.000 1.129 33 S CB 0.491 63.705 63.200 0.022 0.000 1.083 33 S HN 1.859 nan 8.310 nan 0.000 0.605 34 G N 1.215 110.026 108.800 0.019 0.000 2.504 34 G HA2 0.399 4.359 3.960 0.000 0.000 0.257 34 G HA3 0.399 4.359 3.960 0.000 0.000 0.257 34 G C -0.375 174.529 174.900 0.008 0.000 1.451 34 G CA -0.712 44.396 45.100 0.014 0.000 1.059 34 G HN 0.497 nan 8.290 nan 0.000 0.550 35 E N -0.867 119.336 120.200 0.005 0.000 2.465 35 E HA 0.135 4.485 4.350 0.000 0.000 0.260 35 E C -0.394 176.205 176.600 -0.003 0.000 0.980 35 E CA -0.265 56.136 56.400 0.001 0.000 0.927 35 E CB 0.516 30.217 29.700 0.002 0.000 0.934 35 E HN 0.020 nan 8.360 nan 0.000 0.459 36 V N 7.121 127.032 119.914 -0.006 0.000 2.408 36 V HA 0.219 4.339 4.120 0.000 0.000 0.267 36 V C 0.487 176.572 176.094 -0.016 0.000 1.047 36 V CA -0.123 62.168 62.300 -0.014 0.000 0.937 36 V CB 0.645 32.456 31.823 -0.019 0.000 0.999 36 V HN 0.597 nan 8.190 nan 0.000 0.472 37 I N 4.103 124.659 120.570 -0.024 0.000 2.460 37 I HA 0.453 4.623 4.170 0.000 0.000 0.298 37 I C 0.190 176.273 176.117 -0.056 0.000 0.989 37 I CA 0.061 61.349 61.300 -0.021 0.000 1.173 37 I CB 1.964 39.957 38.000 -0.013 0.000 1.338 37 I HN 0.579 nan 8.210 nan 0.000 0.456 38 T N 5.061 119.579 114.554 -0.060 0.000 2.758 38 T HA 0.186 4.536 4.350 0.000 0.000 0.285 38 T C -0.356 174.192 174.700 -0.255 0.000 0.981 38 T CA -0.307 61.673 62.100 -0.200 0.000 0.965 38 T CB 1.035 69.743 68.868 -0.267 0.000 0.927 38 T HN 0.534 nan 8.240 nan 0.000 0.448 39 S N 3.415 118.946 115.700 -0.282 0.000 2.452 39 S HA 0.479 4.949 4.470 0.000 0.000 0.284 39 S C -0.973 173.437 174.600 -0.318 0.000 1.171 39 S CA -0.574 57.510 58.200 -0.193 0.000 1.064 39 S CB -0.042 63.084 63.200 -0.124 0.000 0.967 39 S HN 0.506 nan 8.310 nan 0.000 0.484 40 Y N 2.536 122.770 120.300 -0.110 0.000 2.361 40 Y HA 0.394 4.946 4.550 0.002 0.000 0.332 40 Y C 0.730 176.556 175.900 -0.122 0.000 1.101 40 Y CA -0.781 57.248 58.100 -0.118 0.000 1.137 40 Y CB 1.056 39.442 38.460 -0.123 0.000 1.207 40 Y HN 0.692 nan 8.280 nan 0.000 0.463 41 C N 7.168 126.491 119.300 0.038 0.000 2.442 41 C HA 0.242 4.703 4.460 0.000 0.000 0.362 41 C C -0.998 173.998 174.990 0.011 0.000 1.242 41 C CA -2.005 57.019 59.018 0.010 0.000 1.741 41 C CB -0.381 27.359 27.740 -0.001 0.000 2.378 41 C HN 0.681 nan 8.230 nan 0.000 0.549 42 P HA -0.034 nan 4.420 nan 0.000 0.231 42 P C 1.075 178.316 177.300 -0.099 0.000 1.158 42 P CA 1.455 64.487 63.100 -0.113 0.000 0.763 42 P CB 0.032 31.627 31.700 -0.174 0.000 0.805 43 A N 0.951 123.769 122.820 -0.002 0.000 2.072 43 A HA -0.060 4.260 4.320 0.000 0.000 0.216 43 A C 1.460 179.174 177.584 0.216 0.000 1.156 43 A CA 1.298 53.405 52.037 0.117 0.000 0.701 43 A CB -0.682 18.432 19.000 0.190 0.000 0.816 43 A HN 0.376 nan 8.150 nan 0.000 0.458 44 N N -3.345 115.433 118.700 0.131 0.000 2.039 44 N HA 0.034 4.774 4.740 0.000 0.000 0.228 44 N C -0.143 175.415 175.510 0.079 0.000 1.369 44 N CA 0.331 53.454 53.050 0.122 0.000 0.806 44 N CB -1.146 37.419 38.487 0.130 0.000 1.190 44 N HN 0.283 nan 8.380 nan 0.000 0.506 45 N N 0.126 118.860 118.700 0.056 0.000 2.708 45 N HA -0.189 4.551 4.740 0.000 0.000 0.251 45 N C -1.264 174.335 175.510 0.147 0.000 1.123 45 N CA 0.976 54.052 53.050 0.043 0.000 0.739 45 N CB -0.540 37.928 38.487 -0.032 0.000 1.113 45 N HN 0.433 nan 8.380 nan 0.000 0.561 46 E N 0.543 120.824 120.200 0.135 0.000 2.301 46 E HA 0.240 4.591 4.350 0.000 0.000 0.275 46 E C -2.205 174.432 176.600 0.061 0.000 1.030 46 E CA -1.755 54.709 56.400 0.107 0.000 0.852 46 E CB 0.702 30.414 29.700 0.019 0.000 1.060 46 E HN 0.126 nan 8.360 nan 0.000 0.401 47 P HA 0.157 nan 4.420 nan 0.000 0.276 47 P C 0.428 177.521 177.300 -0.344 0.000 1.230 47 P CA 0.111 62.931 63.100 -0.467 0.000 0.776 47 P CB 0.916 32.330 31.700 -0.477 0.000 0.888 48 I N 1.645 121.993 120.570 -0.371 0.000 2.499 48 I HA 0.213 4.383 4.170 0.000 0.000 0.243 48 I C 1.204 177.144 176.117 -0.295 0.000 1.085 48 I CA 0.910 62.012 61.300 -0.329 0.000 1.422 48 I CB -0.143 37.689 38.000 -0.280 0.000 1.165 48 I HN 0.422 nan 8.210 nan 0.000 0.440 49 A N -0.006 122.650 122.820 -0.273 0.000 2.483 49 A HA 0.679 5.000 4.320 0.000 0.000 0.294 49 A C -1.149 176.314 177.584 -0.202 0.000 1.077 49 A CA -0.707 51.199 52.037 -0.219 0.000 0.633 49 A CB 0.973 19.857 19.000 -0.193 0.000 1.318 49 A HN 0.054 nan 8.150 nan 0.000 0.455 50 R N -0.638 119.768 120.500 -0.156 0.000 2.787 50 R HA 0.759 5.099 4.340 0.000 0.000 0.271 50 R C -1.399 174.843 176.300 -0.097 0.000 0.993 50 R CA -0.768 55.256 56.100 -0.127 0.000 0.993 50 R CB 2.124 32.361 30.300 -0.105 0.000 1.155 50 R HN 0.444 nan 8.270 nan 0.000 0.486 51 V N 1.150 121.019 119.914 -0.076 0.000 2.638 51 V HA 0.259 4.380 4.120 0.000 0.000 0.306 51 V C -0.508 175.566 176.094 -0.032 0.000 1.052 51 V CA -0.836 61.433 62.300 -0.052 0.000 0.885 51 V CB 2.298 34.088 31.823 -0.055 0.000 0.999 51 V HN 0.795 nan 8.190 nan 0.000 0.424 52 T N 4.962 119.508 114.554 -0.013 0.000 2.727 52 T HA 0.369 4.719 4.350 0.000 0.000 0.298 52 T C 0.058 174.765 174.700 0.010 0.000 0.942 52 T CA -0.248 61.852 62.100 -0.000 0.000 0.997 52 T CB 0.571 69.445 68.868 0.010 0.000 0.917 52 T HN 0.665 nan 8.240 nan 0.000 0.487 53 Q N 1.317 121.118 119.800 0.002 0.000 2.407 53 Q HA 0.587 4.928 4.340 0.000 0.000 0.214 53 Q C 0.336 176.346 176.000 0.017 0.000 1.043 53 Q CA -0.760 55.044 55.803 0.002 0.000 0.983 53 Q CB 0.540 29.273 28.738 -0.008 0.000 1.211 53 Q HN 0.793 nan 8.270 nan 0.000 0.564 54 A N 0.671 123.504 122.820 0.022 0.000 2.316 54 A HA 0.416 4.736 4.320 0.000 0.000 0.284 54 A C 0.039 177.646 177.584 0.039 0.000 1.115 54 A CA -0.470 51.592 52.037 0.041 0.000 0.812 54 A CB 0.355 19.395 19.000 0.066 0.000 1.064 54 A HN 0.687 nan 8.150 nan 0.000 0.489 55 T N 0.112 114.693 114.554 0.045 0.000 2.874 55 T HA 0.393 4.743 4.350 0.000 0.000 0.281 55 T C 1.104 175.848 174.700 0.073 0.000 0.994 55 T CA -0.454 61.672 62.100 0.044 0.000 1.015 55 T CB 0.521 69.411 68.868 0.036 0.000 1.028 55 T HN 0.331 nan 8.240 nan 0.000 0.523 56 L N 1.564 122.825 121.223 0.064 0.000 2.042 56 L HA -0.016 4.324 4.340 0.000 0.000 0.210 56 L C 3.023 179.980 176.870 0.144 0.000 1.076 56 L CA 2.291 57.193 54.840 0.102 0.000 0.749 56 L CB -1.090 41.005 42.059 0.060 0.000 0.893 56 L HN 0.993 nan 8.230 nan 0.000 0.432 57 A N -1.006 121.864 122.820 0.084 0.000 1.940 57 A HA -0.251 4.070 4.320 0.000 0.000 0.219 57 A C 2.209 179.823 177.584 0.050 0.000 1.176 57 A CA 1.949 54.022 52.037 0.060 0.000 0.631 57 A CB -0.479 18.543 19.000 0.036 0.000 0.814 57 A HN 0.531 nan 8.150 nan 0.000 0.446 58 E N -1.929 118.307 120.200 0.060 0.000 2.112 58 E HA -0.130 4.221 4.350 0.000 0.000 0.190 58 E C 1.797 178.427 176.600 0.049 0.000 0.979 58 E CA 1.091 57.515 56.400 0.040 0.000 0.814 58 E CB -0.282 29.443 29.700 0.041 0.000 0.762 58 E HN 0.806 nan 8.360 nan 0.000 0.460 59 Y N 2.244 122.539 120.300 -0.008 0.000 2.097 59 Y HA -0.311 4.240 4.550 0.001 0.000 0.282 59 Y C 2.304 178.201 175.900 -0.005 0.000 1.152 59 Y CA 2.135 60.232 58.100 -0.005 0.000 1.136 59 Y CB -0.218 38.244 38.460 0.003 0.000 0.975 59 Y HN -0.051 nan 8.280 nan 0.000 0.498 60 E N 0.773 120.933 120.200 -0.068 0.000 2.086 60 E HA -0.305 4.045 4.350 0.000 0.000 0.200 60 E C 2.203 178.693 176.600 -0.184 0.000 1.012 60 E CA 2.232 58.547 56.400 -0.143 0.000 0.812 60 E CB -0.583 29.129 29.700 0.020 0.000 0.743 60 E HN 0.695 nan 8.360 nan 0.000 0.453 61 E N -1.236 118.896 120.200 -0.113 0.000 2.150 61 E HA -0.132 4.218 4.350 0.000 0.000 0.193 61 E C 1.676 178.192 176.600 -0.141 0.000 0.985 61 E CA 1.487 57.827 56.400 -0.100 0.000 0.814 61 E CB -0.027 29.637 29.700 -0.062 0.000 0.752 61 E HN 0.343 nan 8.360 nan 0.000 0.466 62 T N 0.221 114.664 114.554 -0.184 0.000 2.857 62 T HA -0.084 4.267 4.350 0.000 0.000 0.266 62 T C 1.890 176.460 174.700 -0.218 0.000 1.048 62 T CA 0.921 62.906 62.100 -0.192 0.000 1.139 62 T CB 0.004 68.774 68.868 -0.163 0.000 0.874 62 T HN 0.017 nan 8.240 nan 0.000 0.455 63 V N 1.495 121.210 119.914 -0.331 0.000 2.358 63 V HA -0.199 3.922 4.120 0.000 0.000 0.246 63 V C 2.579 178.584 176.094 -0.148 0.000 1.047 63 V CA 1.606 63.739 62.300 -0.277 0.000 1.035 63 V CB -0.628 30.954 31.823 -0.401 0.000 0.658 63 V HN 0.494 nan 8.190 nan 0.000 0.452 64 Q N -0.279 119.442 119.800 -0.132 0.000 2.050 64 Q HA -0.241 4.100 4.340 0.000 0.000 0.202 64 Q C 2.362 178.331 176.000 -0.052 0.000 0.980 64 Q CA 1.688 57.447 55.803 -0.073 0.000 0.840 64 Q CB -0.185 28.516 28.738 -0.063 0.000 0.898 64 Q HN 0.539 nan 8.270 nan 0.000 0.424 65 K N -0.443 119.912 120.400 -0.075 0.000 2.097 65 K HA -0.092 4.228 4.320 0.000 0.000 0.206 65 K C 2.164 178.736 176.600 -0.047 0.000 1.049 65 K CA 1.444 57.689 56.287 -0.069 0.000 0.933 65 K CB -0.001 32.431 32.500 -0.113 0.000 0.717 65 K HN 0.107 nan 8.250 nan 0.000 0.442 66 T N 0.481 115.003 114.554 -0.053 0.000 2.674 66 T HA -0.091 4.259 4.350 0.000 0.000 0.265 66 T C 1.756 176.496 174.700 0.067 0.000 1.039 66 T CA 0.976 63.071 62.100 -0.008 0.000 1.150 66 T CB -0.026 68.828 68.868 -0.024 0.000 0.864 66 T HN 0.088 nan 8.240 nan 0.000 0.427 67 R N 0.992 121.518 120.500 0.043 0.000 2.103 67 R HA -0.069 4.272 4.340 0.000 0.000 0.242 67 R C 2.339 178.744 176.300 0.175 0.000 1.142 67 R CA 1.382 57.535 56.100 0.089 0.000 0.960 67 R CB -0.741 29.573 30.300 0.022 0.000 0.858 67 R HN 0.405 nan 8.270 nan 0.000 0.439 68 E N 0.236 120.501 120.200 0.108 0.000 2.072 68 E HA -0.020 4.330 4.350 0.000 0.000 0.191 68 E C 1.768 178.444 176.600 0.127 0.000 0.985 68 E CA 1.397 57.860 56.400 0.105 0.000 0.801 68 E CB -0.215 29.513 29.700 0.047 0.000 0.750 68 E HN 0.288 nan 8.360 nan 0.000 0.452 69 A N -0.224 122.663 122.820 0.112 0.000 1.972 69 A HA -0.168 4.152 4.320 0.000 0.000 0.219 69 A C 2.078 179.788 177.584 0.210 0.000 1.169 69 A CA 1.424 53.527 52.037 0.110 0.000 0.635 69 A CB -1.232 17.793 19.000 0.042 0.000 0.810 69 A HN 0.605 nan 8.150 nan 0.000 0.446 70 W N 1.002 122.363 121.300 0.102 0.000 2.338 70 W HA -0.200 4.460 4.660 0.001 0.000 0.304 70 W C 2.003 178.627 176.519 0.175 0.000 1.212 70 W CA 2.158 59.611 57.345 0.181 0.000 1.264 70 W CB -0.107 29.437 29.460 0.139 0.000 1.142 70 W HN 0.274 nan 8.180 nan 0.000 0.512 71 K N -0.352 120.147 120.400 0.165 0.000 2.034 71 K HA -0.301 4.020 4.320 0.000 0.000 0.214 71 K C 2.006 178.506 176.600 -0.168 0.000 1.051 71 K CA 2.880 59.141 56.287 -0.043 0.000 0.931 71 K CB -0.643 31.912 32.500 0.091 0.000 0.715 71 K HN 0.346 nan 8.250 nan 0.000 0.446 72 M N -0.950 118.625 119.600 -0.042 0.000 2.288 72 M HA -0.063 4.417 4.480 0.000 0.000 0.266 72 M C 1.856 178.139 176.300 -0.027 0.000 1.072 72 M CA 1.316 56.598 55.300 -0.029 0.000 1.132 72 M CB -0.835 31.785 32.600 0.035 0.000 1.386 72 M HN 0.288 nan 8.290 nan 0.000 0.432 73 W N 1.595 122.770 121.300 -0.209 0.000 2.381 73 W HA -0.061 4.599 4.660 0.001 0.000 0.301 73 W C 1.973 178.310 176.519 -0.305 0.000 1.205 73 W CA 1.770 58.998 57.345 -0.195 0.000 1.285 73 W CB -0.227 29.171 29.460 -0.104 0.000 1.133 73 W HN 0.423 nan 8.180 nan 0.000 0.521 74 A N 0.431 122.877 122.820 -0.624 0.000 2.070 74 A HA -0.210 4.111 4.320 0.000 0.000 0.220 74 A C 1.405 178.688 177.584 -0.503 0.000 1.159 74 A CA 1.941 53.524 52.037 -0.757 0.000 0.656 74 A CB -0.797 17.371 19.000 -1.385 0.000 0.800 74 A HN 0.235 nan 8.150 nan 0.000 0.453 75 D N -0.485 119.673 120.400 -0.402 0.000 2.355 75 D HA 0.117 4.758 4.640 0.000 0.000 0.218 75 D C 0.313 176.462 176.300 -0.251 0.000 1.004 75 D CA 0.317 54.157 54.000 -0.268 0.000 0.880 75 D CB -0.009 40.676 40.800 -0.191 0.000 0.911 75 D HN 0.456 nan 8.370 nan 0.000 0.528 76 I N 2.367 122.732 120.570 -0.342 0.000 2.352 76 I HA 0.142 4.313 4.170 0.000 0.000 0.290 76 I C -2.086 173.815 176.117 -0.361 0.000 1.036 76 I CA -2.010 59.088 61.300 -0.337 0.000 1.336 76 I CB 1.005 38.756 38.000 -0.415 0.000 1.407 76 I HN -0.356 nan 8.210 nan 0.000 0.497 77 P HA -0.099 nan 4.420 nan 0.000 0.266 77 P C 0.430 177.585 177.300 -0.242 0.000 1.186 77 P CA 0.199 63.174 63.100 -0.208 0.000 0.767 77 P CB 0.738 32.348 31.700 -0.149 0.000 0.820 78 A N 5.866 128.557 122.820 -0.214 0.000 1.883 78 A HA -0.131 4.189 4.320 0.000 0.000 0.217 78 A C -0.449 177.028 177.584 -0.179 0.000 1.186 78 A CA 1.881 53.789 52.037 -0.214 0.000 0.624 78 A CB -2.394 16.490 19.000 -0.193 0.000 0.822 78 A HN 0.483 nan 8.150 nan 0.000 0.444 79 P HA -0.129 nan 4.420 nan 0.000 0.218 79 P C 1.209 178.449 177.300 -0.101 0.000 1.148 79 P CA 1.425 64.455 63.100 -0.118 0.000 0.822 79 P CB -0.023 31.616 31.700 -0.102 0.000 0.784 80 K N -0.650 119.678 120.400 -0.119 0.000 2.217 80 K HA -0.005 4.315 4.320 0.000 0.000 0.202 80 K C 2.170 178.714 176.600 -0.093 0.000 1.051 80 K CA 0.791 57.020 56.287 -0.097 0.000 0.952 80 K CB -0.085 32.351 32.500 -0.106 0.000 0.736 80 K HN 0.068 nan 8.250 nan 0.000 0.453 81 R N -0.254 120.135 120.500 -0.185 0.000 2.092 81 R HA -0.063 4.277 4.340 0.000 0.000 0.231 81 R C 2.378 178.703 176.300 0.042 0.000 1.119 81 R CA 1.249 57.262 56.100 -0.146 0.000 0.970 81 R CB -0.353 29.722 30.300 -0.375 0.000 0.864 81 R HN 0.244 nan 8.270 nan 0.000 0.440 82 G N 1.205 109.989 108.800 -0.028 0.000 2.432 82 G HA2 -0.312 3.649 3.960 0.000 0.000 0.219 82 G HA3 -0.312 3.649 3.960 0.000 0.000 0.219 82 G C 1.326 176.233 174.900 0.012 0.000 1.135 82 G CA 0.692 45.784 45.100 -0.013 0.000 0.767 82 G HN 0.251 nan 8.290 nan 0.000 0.550 83 E N 0.745 120.950 120.200 0.007 0.000 2.118 83 E HA -0.132 4.218 4.350 0.000 0.000 0.195 83 E C 2.405 179.036 176.600 0.052 0.000 0.992 83 E CA 0.705 57.117 56.400 0.019 0.000 0.804 83 E CB -0.270 29.435 29.700 0.008 0.000 0.741 83 E HN 0.328 nan 8.360 nan 0.000 0.458 84 I N 0.163 120.795 120.570 0.102 0.000 2.179 84 I HA -0.202 3.969 4.170 0.000 0.000 0.242 84 I C 2.400 178.575 176.117 0.097 0.000 1.088 84 I CA 0.772 62.153 61.300 0.135 0.000 1.357 84 I CB -1.370 36.794 38.000 0.274 0.000 1.051 84 I HN 0.059 nan 8.210 nan 0.000 0.409 85 V N 1.005 120.984 119.914 0.108 0.000 2.332 85 V HA -0.269 3.851 4.120 0.000 0.000 0.248 85 V C 2.777 178.893 176.094 0.036 0.000 1.055 85 V CA 1.752 64.097 62.300 0.076 0.000 1.038 85 V CB -0.832 31.039 31.823 0.080 0.000 0.651 85 V HN 0.392 nan 8.190 nan 0.000 0.450 86 R N -0.326 120.190 120.500 0.027 0.000 2.083 86 R HA -0.228 4.112 4.340 0.000 0.000 0.237 86 R C 2.418 178.718 176.300 -0.001 0.000 1.137 86 R CA 2.085 58.191 56.100 0.010 0.000 0.951 86 R CB -0.191 30.113 30.300 0.007 0.000 0.851 86 R HN 0.614 nan 8.270 nan 0.000 0.434 87 Q N -0.126 119.678 119.800 0.006 0.000 2.123 87 Q HA -0.099 4.241 4.340 0.000 0.000 0.199 87 Q C 2.216 178.201 176.000 -0.025 0.000 0.966 87 Q CA 1.265 57.066 55.803 -0.003 0.000 0.845 87 Q CB -0.009 28.737 28.738 0.013 0.000 0.907 87 Q HN 0.417 nan 8.270 nan 0.000 0.439 88 I N 0.476 121.028 120.570 -0.031 0.000 2.163 88 I HA -0.257 3.913 4.170 0.000 0.000 0.243 88 I C 2.350 178.369 176.117 -0.162 0.000 1.085 88 I CA 1.297 62.544 61.300 -0.089 0.000 1.347 88 I CB -0.742 37.212 38.000 -0.076 0.000 1.044 88 I HN 0.303 nan 8.210 nan 0.000 0.408 89 G N 0.319 109.047 108.800 -0.120 0.000 2.469 89 G HA2 -0.292 3.668 3.960 0.000 0.000 0.219 89 G HA3 -0.292 3.668 3.960 0.000 0.000 0.219 89 G C 1.291 176.135 174.900 -0.094 0.000 1.150 89 G CA 1.238 46.268 45.100 -0.117 0.000 0.763 89 G HN 0.290 nan 8.290 nan 0.000 0.561 90 D N 0.511 120.875 120.400 -0.060 0.000 2.149 90 D HA 0.083 4.723 4.640 0.000 0.000 0.201 90 D C 2.838 179.110 176.300 -0.047 0.000 0.972 90 D CA 1.032 55.007 54.000 -0.042 0.000 0.835 90 D CB -0.395 40.391 40.800 -0.023 0.000 0.966 90 D HN 0.265 nan 8.370 nan 0.000 0.476 91 A N 0.415 123.201 122.820 -0.056 0.000 1.902 91 A HA -0.136 4.184 4.320 0.000 0.000 0.217 91 A C 2.336 179.881 177.584 -0.065 0.000 1.181 91 A CA 0.977 52.984 52.037 -0.049 0.000 0.623 91 A CB -0.758 18.215 19.000 -0.045 0.000 0.818 91 A HN 0.231 nan 8.150 nan 0.000 0.443 92 L N -1.348 119.806 121.223 -0.116 0.000 2.056 92 L HA -0.151 4.189 4.340 0.000 0.000 0.207 92 L C 2.778 179.602 176.870 -0.076 0.000 1.078 92 L CA 1.573 56.336 54.840 -0.129 0.000 0.749 92 L CB -0.427 41.479 42.059 -0.255 0.000 0.901 92 L HN 0.384 nan 8.230 nan 0.000 0.433 93 R N 0.335 120.794 120.500 -0.067 0.000 2.091 93 R HA -0.191 4.149 4.340 0.000 0.000 0.238 93 R C 2.306 178.592 176.300 -0.024 0.000 1.136 93 R CA 1.504 57.580 56.100 -0.040 0.000 0.959 93 R CB -0.030 30.250 30.300 -0.033 0.000 0.856 93 R HN 0.309 nan 8.270 nan 0.000 0.437 94 K N -0.036 120.352 120.400 -0.021 0.000 2.097 94 K HA -0.105 4.216 4.320 0.000 0.000 0.206 94 K C 1.282 177.882 176.600 -0.000 0.000 1.049 94 K CA 0.978 57.261 56.287 -0.008 0.000 0.933 94 K CB 0.105 32.601 32.500 -0.006 0.000 0.717 94 K HN 0.049 nan 8.250 nan 0.000 0.442 95 K N 0.817 121.215 120.400 -0.004 0.000 2.437 95 K HA 0.124 4.444 4.320 0.000 0.000 0.205 95 K C 1.530 178.134 176.600 0.007 0.000 1.026 95 K CA -0.026 56.268 56.287 0.011 0.000 1.153 95 K CB 0.204 32.714 32.500 0.016 0.000 0.863 95 K HN 0.169 nan 8.250 nan 0.000 0.502 96 I N 1.472 122.037 120.570 -0.008 0.000 2.194 96 I HA -0.358 3.812 4.170 0.000 0.000 0.246 96 I C 1.870 177.972 176.117 -0.024 0.000 1.093 96 I CA 1.710 62.996 61.300 -0.023 0.000 1.355 96 I CB 0.224 38.205 38.000 -0.032 0.000 1.046 96 I HN 0.121 nan 8.210 nan 0.000 0.413 97 K N -0.006 120.398 120.400 0.007 0.000 2.001 97 K HA -0.154 4.166 4.320 0.000 0.000 0.208 97 K C 1.962 178.574 176.600 0.019 0.000 1.048 97 K CA 2.043 58.361 56.287 0.052 0.000 0.932 97 K CB -0.370 32.179 32.500 0.081 0.000 0.715 97 K HN 0.441 nan 8.250 nan 0.000 0.437 98 V N -0.170 119.743 119.914 -0.002 0.000 2.515 98 V HA -0.153 3.967 4.120 0.000 0.000 0.250 98 V C 2.112 178.245 176.094 0.064 0.000 1.058 98 V CA 1.170 63.467 62.300 -0.005 0.000 1.064 98 V CB -0.635 31.273 31.823 0.141 0.000 0.675 98 V HN 0.119 nan 8.190 nan 0.000 0.461 99 L N 2.474 123.729 121.223 0.054 0.000 2.072 99 L HA 0.249 4.589 4.340 0.000 0.000 0.205 99 L C 2.470 179.353 176.870 0.021 0.000 1.079 99 L CA 2.181 57.058 54.840 0.062 0.000 0.752 99 L CB -1.378 40.711 42.059 0.049 0.000 0.906 99 L HN 0.322 nan 8.230 nan 0.000 0.436 100 G N -1.621 107.155 108.800 -0.040 0.000 2.440 100 G HA2 -0.262 3.698 3.960 0.000 0.000 0.218 100 G HA3 -0.262 3.698 3.960 0.000 0.000 0.218 100 G C 1.635 176.483 174.900 -0.087 0.000 1.154 100 G CA 0.927 45.954 45.100 -0.121 0.000 0.767 100 G HN 0.451 nan 8.290 nan 0.000 0.552 101 S N 0.075 115.734 115.700 -0.069 0.000 2.368 101 S HA -0.107 4.363 4.470 0.000 0.000 0.225 101 S C 2.180 176.745 174.600 -0.058 0.000 1.030 101 S CA 1.160 59.224 58.200 -0.226 0.000 0.999 101 S CB -0.276 62.405 63.200 -0.864 0.000 0.844 101 S HN 0.275 nan 8.310 nan 0.000 0.459 102 L N 1.970 123.278 121.223 0.141 0.000 2.046 102 L HA -0.046 4.294 4.340 0.000 0.000 0.208 102 L C 2.144 179.074 176.870 0.100 0.000 1.077 102 L CA 1.619 56.593 54.840 0.223 0.000 0.747 102 L CB -0.862 41.323 42.059 0.210 0.000 0.896 102 L HN 0.135 nan 8.230 nan 0.000 0.432 103 V N -0.911 119.034 119.914 0.051 0.000 2.287 103 V HA -0.309 3.812 4.120 0.000 0.000 0.248 103 V C 2.784 178.885 176.094 0.011 0.000 1.053 103 V CA 1.937 64.249 62.300 0.021 0.000 1.027 103 V CB -1.094 30.718 31.823 -0.019 0.000 0.646 103 V HN 0.668 nan 8.190 nan 0.000 0.447 104 S N -0.268 115.431 115.700 -0.002 0.000 2.370 104 S HA -0.212 4.259 4.470 0.000 0.000 0.226 104 S C 1.928 176.550 174.600 0.036 0.000 1.033 104 S CA 2.133 60.339 58.200 0.009 0.000 1.011 104 S CB -0.336 62.878 63.200 0.024 0.000 0.852 104 S HN 0.442 nan 8.310 nan 0.000 0.457 105 L N 1.307 122.560 121.223 0.050 0.000 2.072 105 L HA 0.180 4.520 4.340 0.000 0.000 0.205 105 L C 2.314 179.219 176.870 0.058 0.000 1.079 105 L CA 2.260 57.147 54.840 0.078 0.000 0.752 105 L CB -0.660 41.483 42.059 0.139 0.000 0.906 105 L HN 0.422 nan 8.230 nan 0.000 0.436 106 E N -1.464 118.773 120.200 0.062 0.000 2.190 106 E HA -0.134 4.217 4.350 0.000 0.000 0.191 106 E C 2.066 178.760 176.600 0.156 0.000 0.978 106 E CA 0.530 56.972 56.400 0.070 0.000 0.839 106 E CB 0.032 29.766 29.700 0.057 0.000 0.787 106 E HN 0.440 nan 8.360 nan 0.000 0.473 107 M N -1.029 118.659 119.600 0.148 0.000 2.429 107 M HA 0.106 4.586 4.480 0.000 0.000 0.265 107 M C 1.274 177.704 176.300 0.217 0.000 1.120 107 M CA 2.028 57.458 55.300 0.217 0.000 1.173 107 M CB 0.774 33.402 32.600 0.048 0.000 1.343 107 M HN 0.272 nan 8.290 nan 0.000 0.464 108 G N 1.561 110.406 108.800 0.075 0.000 2.229 108 G HA2 -0.176 3.784 3.960 0.000 0.000 0.189 108 G HA3 -0.176 3.784 3.960 0.000 0.000 0.189 108 G C 0.152 175.029 174.900 -0.039 0.000 1.000 108 G CA 0.280 45.386 45.100 0.010 0.000 0.663 108 G HN 0.581 nan 8.290 nan 0.000 0.493 109 K N 1.748 122.118 120.400 -0.051 0.000 2.168 109 K HA 0.589 4.910 4.320 0.000 0.000 0.258 109 K C 1.185 177.767 176.600 -0.030 0.000 1.010 109 K CA -0.315 55.922 56.287 -0.083 0.000 0.929 109 K CB 1.324 33.731 32.500 -0.154 0.000 0.998 109 K HN 0.815 nan 8.250 nan 0.000 0.479 110 I N -0.270 120.294 120.570 -0.011 0.000 2.892 110 I HA -0.079 4.091 4.170 0.000 0.000 0.287 110 I C 1.311 177.465 176.117 0.061 0.000 1.205 110 I CA -0.604 60.731 61.300 0.058 0.000 1.409 110 I CB 0.273 38.317 38.000 0.073 0.000 1.367 110 I HN 0.807 nan 8.210 nan 0.000 0.597 111 Y N 4.587 124.894 120.300 0.011 0.000 2.069 111 Y HA -0.269 4.281 4.550 0.000 0.000 0.278 111 Y C 2.229 178.116 175.900 -0.021 0.000 1.175 111 Y CA 2.535 60.628 58.100 -0.013 0.000 1.134 111 Y CB -0.385 38.099 38.460 0.041 0.000 0.965 111 Y HN 0.507 nan 8.280 nan 0.000 0.498 112 V N 0.665 120.517 119.914 -0.104 0.000 2.469 112 V HA -0.283 3.837 4.120 0.000 0.000 0.251 112 V C 2.048 178.024 176.094 -0.197 0.000 1.064 112 V CA 2.599 64.780 62.300 -0.199 0.000 1.066 112 V CB -0.441 31.367 31.823 -0.024 0.000 0.667 112 V HN 0.605 nan 8.190 nan 0.000 0.461 113 E N -0.449 119.674 120.200 -0.128 0.000 2.208 113 E HA -0.065 4.285 4.350 0.000 0.000 0.193 113 E C 2.136 178.653 176.600 -0.138 0.000 0.988 113 E CA 0.857 57.194 56.400 -0.104 0.000 0.828 113 E CB -0.383 29.272 29.700 -0.075 0.000 0.763 113 E HN 0.713 nan 8.360 nan 0.000 0.478 114 G N 0.972 109.661 108.800 -0.184 0.000 2.418 114 G HA2 -0.224 3.736 3.960 0.000 0.000 0.217 114 G HA3 -0.224 3.736 3.960 0.000 0.000 0.217 114 G C 1.719 176.493 174.900 -0.210 0.000 1.158 114 G CA 0.571 45.562 45.100 -0.182 0.000 0.771 114 G HN 0.108 nan 8.290 nan 0.000 0.545 115 V N 1.580 121.287 119.914 -0.345 0.000 2.343 115 V HA -0.067 4.053 4.120 0.000 0.000 0.247 115 V C 3.156 179.152 176.094 -0.163 0.000 1.051 115 V CA 1.995 64.116 62.300 -0.299 0.000 1.036 115 V CB -1.038 30.518 31.823 -0.445 0.000 0.654 115 V HN 0.438 nan 8.190 nan 0.000 0.451 116 G N -0.625 108.091 108.800 -0.140 0.000 2.440 116 G HA2 -0.327 3.633 3.960 0.000 0.000 0.218 116 G HA3 -0.327 3.633 3.960 0.000 0.000 0.218 116 G C 1.523 176.393 174.900 -0.050 0.000 1.154 116 G CA 1.068 46.124 45.100 -0.073 0.000 0.767 116 G HN 0.598 nan 8.290 nan 0.000 0.552 117 E N -0.093 120.080 120.200 -0.046 0.000 2.077 117 E HA -0.103 4.247 4.350 0.000 0.000 0.193 117 E C 2.600 179.168 176.600 -0.053 0.000 0.989 117 E CA 1.111 57.492 56.400 -0.032 0.000 0.800 117 E CB -0.094 29.606 29.700 0.001 0.000 0.746 117 E HN 0.248 nan 8.360 nan 0.000 0.452 118 V N 0.960 120.852 119.914 -0.036 0.000 2.343 118 V HA -0.255 3.866 4.120 0.000 0.000 0.247 118 V C 2.501 178.594 176.094 -0.003 0.000 1.051 118 V CA 2.005 64.304 62.300 -0.002 0.000 1.036 118 V CB -0.651 31.158 31.823 -0.024 0.000 0.654 118 V HN 0.300 nan 8.190 nan 0.000 0.451 119 Q N 0.265 120.047 119.800 -0.030 0.000 2.135 119 Q HA -0.208 4.132 4.340 0.000 0.000 0.204 119 Q C 2.183 178.182 176.000 -0.002 0.000 0.981 119 Q CA 1.736 57.528 55.803 -0.018 0.000 0.856 119 Q CB -0.290 28.432 28.738 -0.027 0.000 0.902 119 Q HN 0.639 nan 8.270 nan 0.000 0.425 120 E N -0.918 119.258 120.200 -0.040 0.000 2.085 120 E HA -0.219 4.132 4.350 0.000 0.000 0.194 120 E C 1.741 178.315 176.600 -0.043 0.000 0.994 120 E CA 1.197 57.549 56.400 -0.080 0.000 0.801 120 E CB -0.422 29.096 29.700 -0.305 0.000 0.743 120 E HN 0.441 nan 8.360 nan 0.000 0.453 121 Y N 1.778 121.958 120.300 -0.200 0.000 2.163 121 Y HA -0.181 4.370 4.550 0.000 0.000 0.288 121 Y C 2.402 178.263 175.900 -0.065 0.000 1.136 121 Y CA 0.541 58.547 58.100 -0.157 0.000 1.147 121 Y CB -0.630 37.745 38.460 -0.141 0.000 0.987 121 Y HN -0.222 nan 8.280 nan 0.000 0.509 122 V N 0.629 120.608 119.914 0.109 0.000 2.252 122 V HA -0.336 3.784 4.120 0.000 0.000 0.249 122 V C 2.192 178.327 176.094 0.069 0.000 1.056 122 V CA 2.343 64.657 62.300 0.023 0.000 1.022 122 V CB -0.707 31.108 31.823 -0.013 0.000 0.641 122 V HN 0.310 nan 8.190 nan 0.000 0.445 123 D N -0.469 119.977 120.400 0.077 0.000 2.144 123 D HA -0.127 4.513 4.640 0.000 0.000 0.199 123 D C 2.083 178.467 176.300 0.138 0.000 0.984 123 D CA 1.263 55.316 54.000 0.088 0.000 0.834 123 D CB -0.329 40.510 40.800 0.065 0.000 0.955 123 D HN 0.338 nan 8.370 nan 0.000 0.465 124 V N 0.203 120.222 119.914 0.176 0.000 2.667 124 V HA -0.185 3.935 4.120 0.000 0.000 0.252 124 V C 2.277 178.508 176.094 0.229 0.000 1.065 124 V CA 1.084 63.524 62.300 0.233 0.000 1.083 124 V CB -0.229 31.775 31.823 0.302 0.000 0.692 124 V HN 0.260 nan 8.190 nan 0.000 0.468 125 C N 0.133 119.548 119.300 0.192 0.000 2.432 125 C HA -0.115 4.345 4.460 0.000 0.000 0.277 125 C C 2.394 177.443 174.990 0.099 0.000 1.249 125 C CA 1.160 60.260 59.018 0.136 0.000 1.725 125 C CB -1.018 26.774 27.740 0.087 0.000 2.028 125 C HN 0.634 nan 8.230 nan 0.000 0.477 126 D N -0.634 119.826 120.400 0.099 0.000 2.144 126 D HA -0.146 4.494 4.640 0.000 0.000 0.199 126 D C 1.709 178.070 176.300 0.102 0.000 0.984 126 D CA 1.266 55.313 54.000 0.078 0.000 0.834 126 D CB -0.564 40.279 40.800 0.071 0.000 0.955 126 D HN 0.625 nan 8.370 nan 0.000 0.465 127 Y N 1.718 122.028 120.300 0.017 0.000 2.128 127 Y HA -0.197 4.353 4.550 0.000 0.000 0.284 127 Y C 2.297 178.189 175.900 -0.013 0.000 1.154 127 Y CA 1.660 59.764 58.100 0.007 0.000 1.149 127 Y CB -0.442 38.032 38.460 0.022 0.000 0.976 127 Y HN -0.046 nan 8.280 nan 0.000 0.505 128 A N -0.849 121.979 122.820 0.014 0.000 1.972 128 A HA -0.132 4.189 4.320 0.000 0.000 0.219 128 A C 2.330 179.835 177.584 -0.132 0.000 1.169 128 A CA 1.787 53.768 52.037 -0.092 0.000 0.635 128 A CB -1.262 17.740 19.000 0.004 0.000 0.810 128 A HN 0.341 nan 8.150 nan 0.000 0.446 129 V N -0.051 119.816 119.914 -0.077 0.000 2.343 129 V HA -0.204 3.917 4.120 0.000 0.000 0.247 129 V C 2.822 178.839 176.094 -0.128 0.000 1.051 129 V CA 1.947 64.201 62.300 -0.078 0.000 1.036 129 V CB -1.494 30.307 31.823 -0.037 0.000 0.654 129 V HN 0.601 nan 8.190 nan 0.000 0.451 130 G N -0.259 108.444 108.800 -0.162 0.000 2.446 130 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 130 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 130 G C 1.593 176.331 174.900 -0.269 0.000 1.168 130 G CA 0.951 45.930 45.100 -0.201 0.000 0.771 130 G HN 0.465 nan 8.290 nan 0.000 0.551 131 L N 1.592 122.593 121.223 -0.371 0.000 2.131 131 L HA -0.096 4.245 4.340 0.000 0.000 0.210 131 L C 3.231 179.887 176.870 -0.356 0.000 1.092 131 L CA 1.321 55.911 54.840 -0.416 0.000 0.759 131 L CB -0.363 41.410 42.059 -0.478 0.000 0.903 131 L HN 0.453 nan 8.230 nan 0.000 0.435 132 S N -0.257 115.286 115.700 -0.262 0.000 2.469 132 S HA -0.167 4.303 4.470 0.000 0.000 0.238 132 S C 1.777 176.254 174.600 -0.206 0.000 0.998 132 S CA 0.762 58.831 58.200 -0.219 0.000 0.957 132 S CB -0.254 62.854 63.200 -0.154 0.000 0.764 132 S HN 0.462 nan 8.310 nan 0.000 0.514 133 R N -0.604 119.777 120.500 -0.199 0.000 2.432 133 R HA 0.443 4.783 4.340 0.000 0.000 0.260 133 R C 1.063 177.257 176.300 -0.177 0.000 0.935 133 R CA 0.127 56.129 56.100 -0.163 0.000 1.080 133 R CB 0.114 30.339 30.300 -0.125 0.000 1.155 133 R HN 0.489 nan 8.270 nan 0.000 0.531 134 M N 0.155 119.607 119.600 -0.247 0.000 2.363 134 M HA 0.215 4.695 4.480 0.000 0.000 0.243 134 M C 0.576 176.662 176.300 -0.355 0.000 1.364 134 M CA -0.034 55.114 55.300 -0.253 0.000 1.104 134 M CB 0.485 32.936 32.600 -0.248 0.000 1.570 134 M HN -0.011 nan 8.290 nan 0.000 0.564 135 I N 1.284 121.500 120.570 -0.589 0.000 2.845 135 I HA 0.433 4.603 4.170 0.000 0.000 0.296 135 I C 0.312 176.100 176.117 -0.548 0.000 1.216 135 I CA 0.327 61.018 61.300 -1.014 0.000 1.438 135 I CB -0.408 36.815 38.000 -1.295 0.000 1.342 135 I HN 0.298 nan 8.210 nan 0.000 0.577 136 G N 3.115 111.661 108.800 -0.422 0.000 2.356 136 G HA2 0.463 4.423 3.960 0.000 0.000 0.300 136 G HA3 0.463 4.423 3.960 0.000 0.000 0.300 136 G C -0.874 174.250 174.900 0.374 0.000 1.331 136 G CA -0.438 44.738 45.100 0.126 0.000 0.905 136 G HN 1.066 nan 8.290 nan 0.000 0.587 137 G N -0.556 108.581 108.800 0.560 0.000 2.735 137 G HA2 0.881 4.841 3.960 0.000 0.000 0.301 137 G HA3 0.881 4.841 3.960 0.000 0.000 0.301 137 G C -2.514 172.545 174.900 0.264 0.000 1.279 137 G CA -1.119 44.291 45.100 0.515 0.000 1.019 137 G HN 0.653 nan 8.290 nan 0.000 0.497 138 P HA 0.289 nan 4.420 nan 0.000 0.275 138 P C -0.334 177.025 177.300 0.099 0.000 1.228 138 P CA -0.316 62.860 63.100 0.127 0.000 0.786 138 P CB 1.431 33.197 31.700 0.109 0.000 0.927 139 V N 3.578 123.535 119.914 0.072 0.000 2.488 139 V HA 0.164 4.284 4.120 0.000 0.000 0.277 139 V C 0.708 176.834 176.094 0.053 0.000 1.046 139 V CA -0.088 62.246 62.300 0.056 0.000 0.986 139 V CB 0.081 31.929 31.823 0.041 0.000 0.989 139 V HN 0.354 nan 8.190 nan 0.000 0.475 140 L N 7.111 128.365 121.223 0.052 0.000 2.334 140 L HA 0.578 4.919 4.340 0.000 0.000 0.273 140 L C -2.298 174.600 176.870 0.047 0.000 1.013 140 L CA -1.864 53.004 54.840 0.047 0.000 0.816 140 L CB 2.467 44.553 42.059 0.044 0.000 1.278 140 L HN 0.439 nan 8.230 nan 0.000 0.431 141 P HA 0.110 nan 4.420 nan 0.000 0.287 141 P C -0.552 176.770 177.300 0.037 0.000 1.307 141 P CA -0.272 62.854 63.100 0.042 0.000 0.777 141 P CB 1.510 33.230 31.700 0.033 0.000 0.883 142 S N 2.090 117.819 115.700 0.050 0.000 2.585 142 S HA 0.036 4.507 4.470 0.000 0.000 0.273 142 S C 1.336 175.937 174.600 0.002 0.000 1.339 142 S CA -0.389 57.830 58.200 0.032 0.000 1.028 142 S CB 0.362 63.601 63.200 0.066 0.000 0.906 142 S HN 0.560 nan 8.310 nan 0.000 0.528 143 E N 2.903 123.085 120.200 -0.031 0.000 2.481 143 E HA 0.018 4.368 4.350 0.000 0.000 0.195 143 E C -0.042 176.505 176.600 -0.089 0.000 1.047 143 E CA 0.194 56.565 56.400 -0.048 0.000 0.867 143 E CB 0.085 29.756 29.700 -0.049 0.000 0.858 143 E HN 0.502 nan 8.360 nan 0.000 0.513 144 R N 2.062 122.473 120.500 -0.149 0.000 2.294 144 R HA 0.353 4.693 4.340 0.000 0.000 0.319 144 R C -2.545 173.667 176.300 -0.147 0.000 0.984 144 R CA -2.368 53.559 56.100 -0.288 0.000 0.861 144 R CB 0.813 30.651 30.300 -0.770 0.000 1.104 144 R HN 0.012 nan 8.270 nan 0.000 0.451 145 P HA 0.014 nan 4.420 nan 0.000 0.268 145 P C 0.445 177.768 177.300 0.040 0.000 1.205 145 P CA 0.373 63.469 63.100 -0.007 0.000 0.771 145 P CB 0.707 32.396 31.700 -0.018 0.000 0.858 146 G N 0.963 109.731 108.800 -0.054 0.000 2.249 146 G HA2 -0.229 3.731 3.960 0.000 0.000 0.273 146 G HA3 -0.229 3.731 3.960 0.000 0.000 0.273 146 G C -0.389 174.006 174.900 -0.841 0.000 1.036 146 G CA 0.056 44.849 45.100 -0.511 0.000 0.824 146 G HN 0.686 nan 8.290 nan 0.000 0.504 147 H N -0.477 118.377 119.070 -0.359 0.000 2.667 147 H HA 0.698 5.255 4.556 0.000 0.000 0.353 147 H C 0.338 175.770 175.328 0.173 0.000 1.072 147 H CA 0.234 56.210 56.048 -0.119 0.000 1.214 147 H CB 1.792 31.506 29.762 -0.080 0.000 1.600 147 H HN 0.583 nan 8.280 nan 0.000 0.527 148 A N 2.805 125.841 122.820 0.361 0.000 2.306 148 A HA 0.582 4.902 4.320 0.000 0.000 0.314 148 A C -1.071 176.603 177.584 0.150 0.000 1.164 148 A CA -0.500 51.682 52.037 0.242 0.000 0.822 148 A CB 0.427 19.533 19.000 0.177 0.000 1.130 148 A HN 0.501 nan 8.150 nan 0.000 0.496 149 L N 3.951 125.239 121.223 0.107 0.000 2.372 149 L HA 0.753 5.093 4.340 0.000 0.000 0.274 149 L C -0.690 176.213 176.870 0.055 0.000 0.988 149 L CA -0.375 54.509 54.840 0.073 0.000 0.833 149 L CB 1.176 43.273 42.059 0.063 0.000 1.236 149 L HN 0.687 nan 8.230 nan 0.000 0.410 150 I N 0.578 121.173 120.570 0.042 0.000 2.730 150 I HA 0.615 4.785 4.170 0.000 0.000 0.298 150 I C -0.962 175.168 176.117 0.022 0.000 1.089 150 I CA -0.691 60.632 61.300 0.039 0.000 1.041 150 I CB 2.227 40.250 38.000 0.038 0.000 1.235 150 I HN 0.684 nan 8.210 nan 0.000 0.423 151 E N 4.456 124.680 120.200 0.041 0.000 2.115 151 E HA 0.260 4.610 4.350 0.000 0.000 0.282 151 E C -1.106 175.502 176.600 0.015 0.000 0.987 151 E CA -0.627 55.774 56.400 0.001 0.000 0.797 151 E CB 1.031 30.770 29.700 0.065 0.000 1.086 151 E HN 0.521 nan 8.360 nan 0.000 0.397 152 Q N 3.494 123.232 119.800 -0.103 0.000 2.274 152 Q HA 0.268 4.608 4.340 0.000 0.000 0.260 152 Q C -1.312 174.578 176.000 -0.183 0.000 0.974 152 Q CA -0.389 55.392 55.803 -0.037 0.000 0.876 152 Q CB 1.461 30.188 28.738 -0.020 0.000 1.297 152 Q HN 0.512 nan 8.270 nan 0.000 0.446 153 W N 1.798 123.171 121.300 0.123 0.000 2.587 153 W HA 0.449 5.109 4.660 0.000 0.000 0.324 153 W C 0.158 176.761 176.519 0.140 0.000 1.040 153 W CA -0.424 57.028 57.345 0.179 0.000 1.222 153 W CB 1.343 31.005 29.460 0.338 0.000 1.381 153 W HN 0.353 nan 8.180 nan 0.000 0.483 154 N N 2.446 121.361 118.700 0.358 0.000 2.284 154 N HA 0.428 5.168 4.740 0.000 0.000 0.289 154 N C -2.871 172.832 175.510 0.323 0.000 1.179 154 N CA -1.872 51.342 53.050 0.272 0.000 0.774 154 N CB 2.324 40.925 38.487 0.191 0.000 1.548 154 N HN -0.118 nan 8.380 nan 0.000 0.473 155 P HA -0.037 nan 4.420 nan 0.000 0.266 155 P C 1.319 178.807 177.300 0.314 0.000 1.195 155 P CA -0.182 63.157 63.100 0.399 0.000 0.768 155 P CB 0.650 32.709 31.700 0.599 0.000 0.838 156 V N 0.667 120.723 119.914 0.235 0.000 2.667 156 V HA 0.182 4.302 4.120 0.000 0.000 0.252 156 V C 1.223 177.266 176.094 -0.086 0.000 1.065 156 V CA 1.751 64.108 62.300 0.096 0.000 1.083 156 V CB -1.468 30.414 31.823 0.099 0.000 0.692 156 V HN 0.818 nan 8.190 nan 0.000 0.468 157 G N 0.797 109.515 108.800 -0.137 0.000 2.039 157 G HA2 -0.074 3.886 3.960 0.000 0.000 0.207 157 G HA3 -0.074 3.886 3.960 0.000 0.000 0.207 157 G C -0.597 174.106 174.900 -0.329 0.000 1.133 157 G CA -0.137 44.541 45.100 -0.703 0.000 1.296 157 G HN 0.983 nan 8.290 nan 0.000 0.459 158 L N 1.884 122.977 121.223 -0.217 0.000 2.275 158 L HA 0.818 5.158 4.340 0.000 0.000 0.288 158 L C -0.148 176.753 176.870 0.053 0.000 1.046 158 L CA -0.853 53.971 54.840 -0.027 0.000 0.805 158 L CB 1.828 43.865 42.059 -0.036 0.000 1.193 158 L HN 0.545 nan 8.230 nan 0.000 0.426 159 V N 5.583 125.573 119.914 0.126 0.000 2.333 159 V HA 0.563 4.683 4.120 0.000 0.000 0.274 159 V C 0.937 177.132 176.094 0.169 0.000 1.028 159 V CA -0.235 62.160 62.300 0.158 0.000 0.851 159 V CB 0.750 32.715 31.823 0.236 0.000 1.000 159 V HN 0.978 nan 8.190 nan 0.000 0.456 160 G N 5.367 114.262 108.800 0.159 0.000 2.390 160 G HA2 0.618 4.578 3.960 0.000 0.000 0.270 160 G HA3 0.618 4.578 3.960 0.000 0.000 0.270 160 G C -0.642 174.386 174.900 0.213 0.000 1.211 160 G CA -0.302 44.916 45.100 0.197 0.000 0.842 160 G HN 0.654 nan 8.290 nan 0.000 0.519 161 I N 2.328 123.058 120.570 0.268 0.000 2.439 161 I HA 0.321 4.492 4.170 0.000 0.000 0.285 161 I C -0.489 175.829 176.117 0.335 0.000 1.021 161 I CA -0.435 61.027 61.300 0.270 0.000 1.091 161 I CB 1.983 40.134 38.000 0.252 0.000 1.242 161 I HN 0.230 nan 8.210 nan 0.000 0.439 162 I N 5.833 126.535 120.570 0.220 0.000 2.362 162 I HA 0.388 4.558 4.170 0.000 0.000 0.289 162 I C 0.331 176.428 176.117 -0.034 0.000 0.994 162 I CA -0.231 61.148 61.300 0.132 0.000 1.158 162 I CB 1.903 39.981 38.000 0.129 0.000 1.315 162 I HN 0.591 nan 8.210 nan 0.000 0.451 163 T N 2.707 117.308 114.554 0.079 0.000 2.942 163 T HA 0.853 5.204 4.350 0.000 0.000 0.289 163 T C -0.098 174.577 174.700 -0.042 0.000 1.044 163 T CA -0.819 61.310 62.100 0.049 0.000 1.023 163 T CB 1.971 71.017 68.868 0.296 0.000 1.123 163 T HN 0.551 nan 8.240 nan 0.000 0.512 164 A N 0.821 123.601 122.820 -0.068 0.000 2.246 164 A HA 0.643 4.964 4.320 0.000 0.000 0.291 164 A C 0.826 178.387 177.584 -0.038 0.000 1.103 164 A CA -0.791 51.185 52.037 -0.101 0.000 0.844 164 A CB -0.118 18.756 19.000 -0.210 0.000 1.136 164 A HN 1.098 nan 8.150 nan 0.000 0.500 165 F N 0.682 120.605 119.950 -0.045 0.000 2.259 165 F HA -0.068 4.460 4.527 0.001 0.000 0.298 165 F C 1.777 177.467 175.800 -0.182 0.000 1.088 165 F CA 1.290 59.205 58.000 -0.142 0.000 1.358 165 F CB -0.635 38.190 39.000 -0.292 0.000 1.040 165 F HN 0.529 nan 8.300 nan 0.000 0.505 166 N N 0.502 118.712 118.700 -0.817 0.000 2.331 166 N HA -0.149 4.591 4.740 0.000 0.000 0.180 166 N C -0.179 175.043 175.510 -0.480 0.000 1.019 166 N CA 0.844 53.545 53.050 -0.581 0.000 0.881 166 N CB -0.795 37.388 38.487 -0.507 0.000 0.972 166 N HN 0.410 nan 8.380 nan 0.000 0.435 167 F N 1.005 120.857 119.950 -0.164 0.000 2.550 167 F HA 0.421 4.948 4.527 0.000 0.000 0.348 167 F C -1.677 174.078 175.800 -0.074 0.000 1.219 167 F CA -2.012 55.911 58.000 -0.129 0.000 1.203 167 F CB 1.946 40.837 39.000 -0.182 0.000 1.436 167 F HN -0.099 nan 8.300 nan 0.000 0.541 168 P HA -0.061 nan 4.420 nan 0.000 0.229 168 P C 1.219 178.674 177.300 0.258 0.000 1.160 168 P CA 0.983 64.188 63.100 0.175 0.000 0.777 168 P CB 0.768 32.544 31.700 0.127 0.000 0.814 169 V N 0.249 120.252 119.914 0.147 0.000 2.627 169 V HA 0.098 4.218 4.120 0.000 0.000 0.239 169 V C 2.744 178.787 176.094 -0.085 0.000 1.077 169 V CA 1.506 63.884 62.300 0.130 0.000 1.103 169 V CB -1.377 30.524 31.823 0.131 0.000 0.802 169 V HN 0.013 nan 8.190 nan 0.000 0.482 170 A N 0.191 122.887 122.820 -0.206 0.000 1.902 170 A HA -0.134 4.186 4.320 0.000 0.000 0.217 170 A C 2.342 179.449 177.584 -0.794 0.000 1.181 170 A CA 2.063 53.726 52.037 -0.623 0.000 0.623 170 A CB -0.672 17.846 19.000 -0.802 0.000 0.818 170 A HN 0.292 nan 8.150 nan 0.000 0.443 171 V N -1.244 118.406 119.914 -0.439 0.000 2.295 171 V HA -0.291 3.830 4.120 0.000 0.000 0.246 171 V C 2.361 178.339 176.094 -0.193 0.000 1.049 171 V CA 2.184 64.371 62.300 -0.188 0.000 1.024 171 V CB -1.091 30.728 31.823 -0.006 0.000 0.648 171 V HN 0.708 nan 8.190 nan 0.000 0.447 172 Y N 1.999 122.037 120.300 -0.436 0.000 2.114 172 Y HA -0.213 4.337 4.550 0.000 0.000 0.282 172 Y C 2.332 177.783 175.900 -0.749 0.000 1.165 172 Y CA 1.761 59.412 58.100 -0.748 0.000 1.148 172 Y CB -1.053 36.545 38.460 -1.437 0.000 0.972 172 Y HN 0.183 nan 8.280 nan 0.000 0.504 173 G N -0.306 107.823 108.800 -1.119 0.000 2.491 173 G HA2 -0.305 3.655 3.960 0.000 0.000 0.218 173 G HA3 -0.305 3.655 3.960 0.000 0.000 0.218 173 G C 1.440 175.833 174.900 -0.844 0.000 1.180 173 G CA 0.974 44.987 45.100 -1.811 0.000 0.774 173 G HN 0.535 nan 8.290 nan 0.000 0.562 174 W N 1.447 122.412 121.300 -0.558 0.000 2.325 174 W HA -0.041 4.619 4.660 -0.000 0.000 0.299 174 W C 2.443 178.786 176.519 -0.294 0.000 1.215 174 W CA 1.032 58.181 57.345 -0.327 0.000 1.244 174 W CB -0.681 28.632 29.460 -0.245 0.000 1.140 174 W HN 0.266 nan 8.180 nan 0.000 0.523 175 N N -0.269 118.362 118.700 -0.114 0.000 2.251 175 N HA -0.138 4.602 4.740 0.000 0.000 0.181 175 N C 1.464 176.798 175.510 -0.293 0.000 1.019 175 N CA 1.170 54.157 53.050 -0.105 0.000 0.862 175 N CB -0.742 37.739 38.487 -0.010 0.000 0.992 175 N HN 0.167 nan 8.380 nan 0.000 0.429 176 N N 1.478 119.845 118.700 -0.554 0.000 2.058 176 N HA -0.105 4.635 4.740 0.000 0.000 0.191 176 N C 1.691 177.060 175.510 -0.234 0.000 1.037 176 N CA 1.788 54.520 53.050 -0.530 0.000 0.848 176 N CB -0.220 37.698 38.487 -0.948 0.000 1.021 176 N HN 0.170 nan 8.380 nan 0.000 0.422 177 A N 0.564 123.279 122.820 -0.175 0.000 1.908 177 A HA -0.112 4.208 4.320 0.000 0.000 0.218 177 A C 2.115 179.658 177.584 -0.069 0.000 1.181 177 A CA 1.332 53.355 52.037 -0.023 0.000 0.627 177 A CB -0.695 18.343 19.000 0.064 0.000 0.818 177 A HN 0.364 nan 8.150 nan 0.000 0.445 178 I N -0.236 120.225 120.570 -0.181 0.000 2.233 178 I HA -0.166 4.004 4.170 0.000 0.000 0.243 178 I C 2.978 178.896 176.117 -0.333 0.000 1.093 178 I CA 1.354 62.478 61.300 -0.294 0.000 1.380 178 I CB -1.753 35.949 38.000 -0.497 0.000 1.067 178 I HN 0.350 nan 8.210 nan 0.000 0.413 179 A N 0.890 123.470 122.820 -0.401 0.000 1.883 179 A HA -0.197 4.123 4.320 0.000 0.000 0.217 179 A C 2.279 179.940 177.584 0.128 0.000 1.186 179 A CA 1.459 53.441 52.037 -0.092 0.000 0.624 179 A CB -0.876 18.168 19.000 0.075 0.000 0.822 179 A HN 0.299 nan 8.150 nan 0.000 0.444 180 L N -0.192 121.109 121.223 0.130 0.000 2.012 180 L HA -0.142 4.198 4.340 0.000 0.000 0.210 180 L C 2.732 179.804 176.870 0.335 0.000 1.073 180 L CA 2.513 57.557 54.840 0.341 0.000 0.748 180 L CB -1.319 40.883 42.059 0.240 0.000 0.891 180 L HN 0.397 nan 8.230 nan 0.000 0.431 181 T N -2.007 112.622 114.554 0.125 0.000 2.803 181 T HA -0.219 4.132 4.350 0.000 0.000 0.269 181 T C 1.690 176.375 174.700 -0.024 0.000 1.052 181 T CA 1.539 63.646 62.100 0.012 0.000 1.136 181 T CB -0.496 68.331 68.868 -0.068 0.000 0.864 181 T HN 0.374 nan 8.240 nan 0.000 0.467 182 C N 1.159 120.486 119.300 0.045 0.000 2.613 182 C HA 0.507 4.967 4.460 0.000 0.000 0.273 182 C C 2.024 177.107 174.990 0.155 0.000 1.304 182 C CA -0.440 58.632 59.018 0.090 0.000 1.702 182 C CB -1.472 26.381 27.740 0.189 0.000 1.792 182 C HN 0.815 nan 8.230 nan 0.000 0.588 183 G N 2.059 110.940 108.800 0.135 0.000 2.147 183 G HA2 -0.207 3.753 3.960 0.000 0.000 0.244 183 G HA3 -0.207 3.753 3.960 0.000 0.000 0.244 183 G C -0.251 174.955 174.900 0.509 0.000 1.005 183 G CA -0.083 45.065 45.100 0.081 0.000 0.713 183 G HN 0.552 nan 8.290 nan 0.000 0.515 184 N N -0.563 118.503 118.700 0.609 0.000 2.482 184 N HA 0.651 5.391 4.740 0.000 0.000 0.279 184 N C 0.380 176.248 175.510 0.596 0.000 1.182 184 N CA 0.229 53.656 53.050 0.628 0.000 0.969 184 N CB 2.129 40.860 38.487 0.407 0.000 1.201 184 N HN 0.648 nan 8.380 nan 0.000 0.523 185 V N -2.053 118.132 119.914 0.451 0.000 2.667 185 V HA 0.631 4.752 4.120 0.000 0.000 0.308 185 V C -0.047 176.141 176.094 0.156 0.000 1.048 185 V CA -0.837 61.587 62.300 0.206 0.000 0.928 185 V CB 1.020 32.969 31.823 0.211 0.000 1.004 185 V HN 0.605 nan 8.190 nan 0.000 0.444 186 C N 4.209 123.577 119.300 0.113 0.000 2.391 186 C HA 0.795 5.255 4.460 0.000 0.000 0.339 186 C C -0.099 175.002 174.990 0.184 0.000 1.205 186 C CA -0.594 58.524 59.018 0.166 0.000 1.937 186 C CB 0.831 28.681 27.740 0.184 0.000 2.341 186 C HN 1.011 nan 8.230 nan 0.000 0.516 187 L N 2.566 123.923 121.223 0.223 0.000 2.376 187 L HA 0.596 4.936 4.340 0.000 0.000 0.275 187 L C -1.585 175.500 176.870 0.359 0.000 0.987 187 L CA -0.064 54.920 54.840 0.240 0.000 0.828 187 L CB 0.952 43.120 42.059 0.181 0.000 1.249 187 L HN 0.813 nan 8.230 nan 0.000 0.409 188 W N 6.758 128.121 121.300 0.106 0.000 2.417 188 W HA 0.423 5.083 4.660 0.000 0.000 0.315 188 W C -1.023 175.507 176.519 0.017 0.000 1.045 188 W CA -1.275 56.100 57.345 0.051 0.000 1.221 188 W CB 1.240 30.602 29.460 -0.164 0.000 1.309 188 W HN 0.373 nan 8.180 nan 0.000 0.453 189 K N 5.271 125.788 120.400 0.194 0.000 2.473 189 K HA 0.474 4.794 4.320 0.000 0.000 0.246 189 K C 0.373 176.885 176.600 -0.147 0.000 1.011 189 K CA -0.358 55.885 56.287 -0.073 0.000 0.984 189 K CB 0.366 32.889 32.500 0.037 0.000 1.250 189 K HN 0.712 nan 8.250 nan 0.000 0.454 190 G N 1.823 110.282 108.800 -0.569 0.000 2.616 190 G HA2 0.385 4.345 3.960 0.000 0.000 0.268 190 G HA3 0.385 4.345 3.960 0.000 0.000 0.268 190 G C -0.417 174.416 174.900 -0.112 0.000 1.213 190 G CA -0.580 44.332 45.100 -0.313 0.000 0.926 190 G HN 0.718 nan 8.290 nan 0.000 0.523 191 A N 0.804 123.623 122.820 -0.000 0.000 2.511 191 A HA 0.421 4.741 4.320 0.000 0.000 0.242 191 A C -0.870 176.734 177.584 0.032 0.000 1.069 191 A CA -0.607 51.462 52.037 0.055 0.000 0.763 191 A CB 0.328 19.416 19.000 0.147 0.000 1.001 191 A HN 0.412 nan 8.150 nan 0.000 0.498 192 P HA -0.131 nan 4.420 nan 0.000 0.219 192 P C 1.363 178.687 177.300 0.040 0.000 1.146 192 P CA 2.023 65.137 63.100 0.023 0.000 0.808 192 P CB -0.011 31.710 31.700 0.034 0.000 0.779 193 T N -5.580 109.032 114.554 0.097 0.000 3.129 193 T HA 0.034 4.384 4.350 0.000 0.000 0.251 193 T C 0.964 175.757 174.700 0.156 0.000 1.117 193 T CA 0.882 63.060 62.100 0.130 0.000 1.034 193 T CB -1.010 67.986 68.868 0.214 0.000 0.968 193 T HN 0.170 nan 8.240 nan 0.000 0.526 194 T N -0.843 113.777 114.554 0.111 0.000 3.448 194 T HA 0.394 4.744 4.350 0.000 0.000 0.271 194 T C -1.656 173.032 174.700 -0.020 0.000 1.002 194 T CA -1.102 61.043 62.100 0.074 0.000 0.995 194 T CB 0.921 69.851 68.868 0.104 0.000 1.153 194 T HN 0.062 nan 8.240 nan 0.000 0.510 195 P HA 0.048 nan 4.420 nan 0.000 0.221 195 P C 1.627 178.866 177.300 -0.101 0.000 1.150 195 P CA 0.377 63.410 63.100 -0.111 0.000 0.800 195 P CB 0.151 31.799 31.700 -0.087 0.000 0.787 196 L N -0.531 120.652 121.223 -0.066 0.000 2.046 196 L HA -0.133 4.207 4.340 0.000 0.000 0.208 196 L C 2.565 179.419 176.870 -0.027 0.000 1.077 196 L CA 1.925 56.731 54.840 -0.057 0.000 0.747 196 L CB -1.733 40.287 42.059 -0.065 0.000 0.896 196 L HN 0.006 nan 8.230 nan 0.000 0.432 197 T N -1.107 113.446 114.554 -0.002 0.000 2.788 197 T HA -0.147 4.203 4.350 0.000 0.000 0.268 197 T C 2.164 176.894 174.700 0.051 0.000 1.044 197 T CA 1.530 63.662 62.100 0.053 0.000 1.139 197 T CB -0.091 68.829 68.868 0.087 0.000 0.867 197 T HN 0.267 nan 8.240 nan 0.000 0.454 198 S N 0.985 116.614 115.700 -0.120 0.000 2.353 198 S HA -0.097 4.373 4.470 0.000 0.000 0.222 198 S C 2.346 176.835 174.600 -0.184 0.000 1.035 198 S CA 0.985 58.911 58.200 -0.457 0.000 1.025 198 S CB -0.590 62.106 63.200 -0.840 0.000 0.902 198 S HN 0.275 nan 8.310 nan 0.000 0.440 199 V N 2.157 122.021 119.914 -0.084 0.000 2.295 199 V HA -0.230 3.891 4.120 0.000 0.000 0.246 199 V C 2.676 178.825 176.094 0.092 0.000 1.049 199 V CA 1.747 64.081 62.300 0.056 0.000 1.024 199 V CB -1.311 30.521 31.823 0.015 0.000 0.648 199 V HN 0.545 nan 8.190 nan 0.000 0.447 200 A N -0.242 122.609 122.820 0.052 0.000 1.883 200 A HA -0.194 4.126 4.320 0.000 0.000 0.217 200 A C 2.412 180.071 177.584 0.126 0.000 1.186 200 A CA 2.356 54.432 52.037 0.065 0.000 0.624 200 A CB -0.801 18.237 19.000 0.064 0.000 0.822 200 A HN 0.333 nan 8.150 nan 0.000 0.444 201 V N -0.283 119.753 119.914 0.203 0.000 2.261 201 V HA -0.242 3.878 4.120 0.000 0.000 0.246 201 V C 2.763 179.031 176.094 0.291 0.000 1.047 201 V CA 2.523 64.997 62.300 0.290 0.000 1.015 201 V CB -1.359 30.750 31.823 0.476 0.000 0.642 201 V HN 0.629 nan 8.190 nan 0.000 0.446 202 T N -0.618 114.126 114.554 0.317 0.000 2.737 202 T HA -0.286 4.064 4.350 0.000 0.000 0.269 202 T C 1.950 176.769 174.700 0.199 0.000 1.040 202 T CA 1.819 64.072 62.100 0.254 0.000 1.142 202 T CB -0.247 68.749 68.868 0.213 0.000 0.861 202 T HN 0.408 nan 8.240 nan 0.000 0.456 203 K N 0.378 120.935 120.400 0.262 0.000 2.032 203 K HA -0.009 4.311 4.320 0.000 0.000 0.209 203 K C 2.198 178.850 176.600 0.087 0.000 1.048 203 K CA 1.248 57.642 56.287 0.178 0.000 0.927 203 K CB -0.320 32.181 32.500 0.001 0.000 0.712 203 K HN 0.314 nan 8.250 nan 0.000 0.441 204 I N 0.254 120.871 120.570 0.077 0.000 2.163 204 I HA -0.300 3.870 4.170 0.000 0.000 0.243 204 I C 2.101 178.241 176.117 0.038 0.000 1.085 204 I CA 1.072 62.398 61.300 0.043 0.000 1.347 204 I CB -0.236 37.780 38.000 0.028 0.000 1.044 204 I HN -0.030 nan 8.210 nan 0.000 0.408 205 V N 0.929 120.887 119.914 0.073 0.000 2.307 205 V HA -0.282 3.838 4.120 0.000 0.000 0.245 205 V C 2.740 178.862 176.094 0.046 0.000 1.045 205 V CA 1.928 64.272 62.300 0.074 0.000 1.024 205 V CB -1.126 30.798 31.823 0.168 0.000 0.651 205 V HN 0.497 nan 8.190 nan 0.000 0.449 206 A N -0.400 122.421 122.820 0.000 0.000 1.917 206 A HA -0.327 3.993 4.320 0.000 0.000 0.219 206 A C 2.296 179.898 177.584 0.030 0.000 1.182 206 A CA 2.287 54.285 52.037 -0.066 0.000 0.633 206 A CB -0.602 18.119 19.000 -0.466 0.000 0.819 206 A HN 0.634 nan 8.150 nan 0.000 0.448 207 E N -0.358 119.864 120.200 0.037 0.000 2.077 207 E HA -0.144 4.206 4.350 0.000 0.000 0.193 207 E C 1.932 178.557 176.600 0.042 0.000 0.989 207 E CA 1.484 57.913 56.400 0.047 0.000 0.800 207 E CB -0.135 29.585 29.700 0.034 0.000 0.746 207 E HN 0.359 nan 8.360 nan 0.000 0.452 208 V N 1.335 121.268 119.914 0.032 0.000 2.295 208 V HA -0.278 3.843 4.120 0.000 0.000 0.246 208 V C 2.469 178.585 176.094 0.038 0.000 1.049 208 V CA 1.520 63.837 62.300 0.029 0.000 1.024 208 V CB -0.458 31.375 31.823 0.017 0.000 0.648 208 V HN 0.332 nan 8.190 nan 0.000 0.447 209 L N -0.359 120.886 121.223 0.037 0.000 2.042 209 L HA -0.226 4.114 4.340 0.000 0.000 0.210 209 L C 2.592 179.495 176.870 0.055 0.000 1.076 209 L CA 1.855 56.715 54.840 0.034 0.000 0.749 209 L CB -0.633 41.440 42.059 0.023 0.000 0.893 209 L HN 0.395 nan 8.230 nan 0.000 0.432 210 E N -0.658 119.586 120.200 0.072 0.000 2.072 210 E HA -0.215 4.136 4.350 0.000 0.000 0.191 210 E C 2.277 178.913 176.600 0.060 0.000 0.985 210 E CA 0.733 57.179 56.400 0.078 0.000 0.801 210 E CB -0.037 29.724 29.700 0.102 0.000 0.750 210 E HN 0.424 nan 8.360 nan 0.000 0.452 211 Q N 0.600 120.431 119.800 0.052 0.000 2.152 211 Q HA -0.137 4.203 4.340 0.000 0.000 0.206 211 Q C 1.255 177.280 176.000 0.043 0.000 0.985 211 Q CA 1.042 56.870 55.803 0.042 0.000 0.863 211 Q CB -0.320 28.438 28.738 0.035 0.000 0.904 211 Q HN 0.344 nan 8.270 nan 0.000 0.422 212 N N 0.674 119.403 118.700 0.049 0.000 2.314 212 N HA 0.022 4.762 4.740 0.000 0.000 0.200 212 N C -0.629 174.916 175.510 0.059 0.000 1.135 212 N CA -0.056 53.028 53.050 0.055 0.000 0.835 212 N CB 0.093 38.622 38.487 0.070 0.000 0.989 212 N HN 0.283 nan 8.380 nan 0.000 0.478 213 N N 0.513 119.245 118.700 0.053 0.000 2.727 213 N HA -0.174 4.567 4.740 0.000 0.000 0.249 213 N C -1.240 174.305 175.510 0.058 0.000 1.048 213 N CA 0.335 53.416 53.050 0.051 0.000 0.714 213 N CB -0.937 37.577 38.487 0.043 0.000 0.959 213 N HN 0.287 nan 8.380 nan 0.000 0.544 214 L N 0.273 121.532 121.223 0.060 0.000 2.334 214 L HA 0.601 4.941 4.340 0.000 0.000 0.273 214 L C -1.823 175.064 176.870 0.029 0.000 1.013 214 L CA -2.057 52.818 54.840 0.059 0.000 0.816 214 L CB 1.201 43.299 42.059 0.065 0.000 1.278 214 L HN -0.132 nan 8.230 nan 0.000 0.431 215 P HA 0.004 nan 4.420 nan 0.000 0.267 215 P C 0.675 177.947 177.300 -0.046 0.000 1.209 215 P CA -0.006 63.085 63.100 -0.015 0.000 0.763 215 P CB 0.943 32.635 31.700 -0.013 0.000 0.816 216 G N 3.382 112.158 108.800 -0.040 0.000 2.479 216 G HA2 -0.244 3.717 3.960 0.000 0.000 0.220 216 G HA3 -0.244 3.717 3.960 0.000 0.000 0.220 216 G C 1.438 176.267 174.900 -0.118 0.000 1.115 216 G CA 0.656 45.760 45.100 0.005 0.000 0.757 216 G HN 0.597 nan 8.290 nan 0.000 0.560 217 A N 0.339 123.039 122.820 -0.200 0.000 2.216 217 A HA 0.177 4.498 4.320 0.000 0.000 0.214 217 A C 2.182 179.704 177.584 -0.104 0.000 1.160 217 A CA 0.544 52.470 52.037 -0.185 0.000 0.725 217 A CB -0.295 18.611 19.000 -0.156 0.000 0.784 217 A HN 0.412 nan 8.150 nan 0.000 0.472 218 I N -1.172 119.315 120.570 -0.139 0.000 2.361 218 I HA -0.222 3.948 4.170 0.000 0.000 0.251 218 I C 0.287 176.315 176.117 -0.148 0.000 1.133 218 I CA 0.636 61.787 61.300 -0.247 0.000 1.413 218 I CB -0.043 37.611 38.000 -0.577 0.000 1.073 218 I HN 0.294 nan 8.210 nan 0.000 0.424 219 C N 0.839 120.119 119.300 -0.033 0.000 3.003 219 C HA 0.375 4.835 4.460 0.000 0.000 0.241 219 C C 0.655 175.754 174.990 0.183 0.000 1.224 219 C CA -0.889 58.199 59.018 0.115 0.000 1.560 219 C CB -0.763 27.073 27.740 0.159 0.000 1.768 219 C HN 0.169 nan 8.230 nan 0.000 0.440 220 S N 2.357 118.126 115.700 0.116 0.000 2.603 220 S HA 0.600 5.070 4.470 0.000 0.000 0.268 220 S C -0.229 174.466 174.600 0.159 0.000 1.317 220 S CA -0.121 58.121 58.200 0.069 0.000 1.012 220 S CB 0.925 64.112 63.200 -0.022 0.000 0.926 220 S HN 0.802 nan 8.310 nan 0.000 0.539 221 M N 2.776 122.430 119.600 0.091 0.000 2.326 221 M HA 0.418 4.899 4.480 0.000 0.000 0.292 221 M C -1.572 174.733 176.300 0.009 0.000 1.081 221 M CA -0.433 54.904 55.300 0.062 0.000 0.919 221 M CB 1.954 34.558 32.600 0.007 0.000 1.634 221 M HN 0.716 nan 8.290 nan 0.000 0.451 222 T N 1.476 116.036 114.554 0.010 0.000 2.930 222 T HA 0.516 4.867 4.350 0.000 0.000 0.313 222 T C -0.430 174.247 174.700 -0.039 0.000 1.019 222 T CA -0.609 61.505 62.100 0.023 0.000 1.004 222 T CB 0.023 68.969 68.868 0.130 0.000 0.987 222 T HN 0.752 nan 8.240 nan 0.000 0.456 223 C N 2.947 122.203 119.300 -0.074 0.000 2.652 223 C HA 0.922 5.382 4.460 0.000 0.000 0.412 223 C C 1.444 176.402 174.990 -0.053 0.000 1.294 223 C CA 0.500 59.453 59.018 -0.108 0.000 2.127 223 C CB -0.279 27.393 27.740 -0.113 0.000 2.691 223 C HN 1.368 nan 8.230 nan 0.000 0.615 224 G N 1.059 109.826 108.800 -0.056 0.000 2.315 224 G HA2 0.551 4.511 3.960 0.000 0.000 0.294 224 G HA3 0.551 4.511 3.960 0.000 0.000 0.294 224 G C -0.509 174.379 174.900 -0.020 0.000 1.300 224 G CA 0.012 45.093 45.100 -0.031 0.000 0.843 224 G HN 1.019 nan 8.290 nan 0.000 0.527 225 G N -1.141 107.654 108.800 -0.010 0.000 2.695 225 G HA2 0.651 4.612 3.960 0.000 0.000 0.213 225 G HA3 0.651 4.612 3.960 0.000 0.000 0.213 225 G C 1.602 176.508 174.900 0.009 0.000 1.406 225 G CA 0.911 46.016 45.100 0.008 0.000 1.049 225 G HN 1.678 nan 8.290 nan 0.000 0.573 226 A N -0.557 122.275 122.820 0.021 0.000 1.883 226 A HA -0.106 4.214 4.320 0.000 0.000 0.217 226 A C 1.907 179.481 177.584 -0.018 0.000 1.186 226 A CA 2.603 54.651 52.037 0.018 0.000 0.624 226 A CB -1.054 17.959 19.000 0.022 0.000 0.822 226 A HN 0.760 nan 8.150 nan 0.000 0.444 227 D N -0.240 120.146 120.400 -0.024 0.000 2.559 227 D HA -0.271 4.369 4.640 0.000 0.000 0.538 227 D C 1.482 177.724 176.300 -0.096 0.000 0.913 227 D CA 2.835 56.808 54.000 -0.046 0.000 1.524 227 D CB -0.382 40.399 40.800 -0.032 0.000 0.811 227 D HN 0.262 nan 8.370 nan 0.000 0.420 228 I N 0.353 120.853 120.570 -0.116 0.000 2.286 228 I HA -0.004 4.166 4.170 0.000 0.000 0.245 228 I C 2.678 178.656 176.117 -0.233 0.000 1.104 228 I CA 1.482 62.643 61.300 -0.232 0.000 1.397 228 I CB -2.050 35.853 38.000 -0.161 0.000 1.072 228 I HN 0.349 nan 8.210 nan 0.000 0.417 229 G N 0.743 109.489 108.800 -0.090 0.000 2.469 229 G HA2 -0.282 3.678 3.960 0.000 0.000 0.219 229 G HA3 -0.282 3.678 3.960 0.000 0.000 0.219 229 G C 1.687 176.563 174.900 -0.038 0.000 1.150 229 G CA 1.669 46.761 45.100 -0.013 0.000 0.763 229 G HN 0.339 nan 8.290 nan 0.000 0.561 230 T N 1.458 115.972 114.554 -0.067 0.000 2.777 230 T HA 0.080 4.430 4.350 0.000 0.000 0.266 230 T C 2.833 177.474 174.700 -0.097 0.000 1.040 230 T CA 1.437 63.495 62.100 -0.071 0.000 1.141 230 T CB -0.376 68.454 68.868 -0.063 0.000 0.868 230 T HN 0.399 nan 8.240 nan 0.000 0.444 231 A N 1.463 124.177 122.820 -0.176 0.000 1.908 231 A HA -0.125 4.195 4.320 0.000 0.000 0.218 231 A C 2.328 179.816 177.584 -0.159 0.000 1.181 231 A CA 1.727 53.629 52.037 -0.225 0.000 0.627 231 A CB -0.734 17.978 19.000 -0.480 0.000 0.818 231 A HN 0.460 nan 8.150 nan 0.000 0.445 232 M N -0.586 118.896 119.600 -0.197 0.000 2.080 232 M HA -0.170 4.310 4.480 0.000 0.000 0.260 232 M C 2.533 178.862 176.300 0.049 0.000 1.068 232 M CA 1.597 56.913 55.300 0.028 0.000 1.109 232 M CB -0.430 32.208 32.600 0.064 0.000 1.342 232 M HN 0.471 nan 8.290 nan 0.000 0.405 233 A N 0.252 123.076 122.820 0.008 0.000 1.978 233 A HA -0.174 4.146 4.320 0.000 0.000 0.220 233 A C 2.064 179.641 177.584 -0.011 0.000 1.170 233 A CA 1.695 53.729 52.037 -0.005 0.000 0.636 233 A CB -0.492 18.482 19.000 -0.044 0.000 0.810 233 A HN 0.469 nan 8.150 nan 0.000 0.448 234 K N -0.518 119.876 120.400 -0.010 0.000 2.400 234 K HA 0.011 4.331 4.320 0.000 0.000 0.194 234 K C -0.222 176.394 176.600 0.027 0.000 1.033 234 K CA 0.059 56.344 56.287 -0.004 0.000 1.021 234 K CB 0.136 32.629 32.500 -0.013 0.000 0.808 234 K HN 0.300 nan 8.250 nan 0.000 0.505 235 D N 2.238 122.674 120.400 0.060 0.000 2.346 235 D HA -0.016 4.624 4.640 0.000 0.000 0.260 235 D C 0.549 176.887 176.300 0.063 0.000 1.252 235 D CA 0.346 54.403 54.000 0.094 0.000 0.895 235 D CB 0.882 41.796 40.800 0.190 0.000 1.097 235 D HN 0.091 nan 8.370 nan 0.000 0.489 236 E N 2.610 122.838 120.200 0.046 0.000 2.265 236 E HA -0.165 4.185 4.350 0.000 0.000 0.196 236 E C 1.397 178.007 176.600 0.017 0.000 0.996 236 E CA 0.650 57.069 56.400 0.031 0.000 0.832 236 E CB 0.311 30.027 29.700 0.028 0.000 0.756 236 E HN 0.424 nan 8.360 nan 0.000 0.491 237 R N 0.379 120.889 120.500 0.018 0.000 2.236 237 R HA 0.033 4.373 4.340 0.000 0.000 0.208 237 R C 0.425 176.719 176.300 -0.009 0.000 1.036 237 R CA 0.097 56.191 56.100 -0.010 0.000 1.001 237 R CB 0.330 30.619 30.300 -0.018 0.000 0.896 237 R HN -0.087 nan 8.270 nan 0.000 0.464 238 V N 2.681 122.615 119.914 0.033 0.000 2.387 238 V HA -0.028 4.092 4.120 0.000 0.000 0.260 238 V C 0.587 176.694 176.094 0.022 0.000 1.054 238 V CA 0.268 62.595 62.300 0.045 0.000 0.967 238 V CB 1.047 32.928 31.823 0.096 0.000 1.036 238 V HN 0.193 nan 8.190 nan 0.000 0.481 239 D N 3.333 123.730 120.400 -0.006 0.000 2.149 239 D HA 0.015 4.655 4.640 0.000 0.000 0.201 239 D C 0.393 176.700 176.300 0.012 0.000 0.972 239 D CA 1.065 55.056 54.000 -0.016 0.000 0.835 239 D CB 0.615 41.376 40.800 -0.064 0.000 0.966 239 D HN 0.387 nan 8.370 nan 0.000 0.476 240 L N 0.727 121.968 121.223 0.029 0.000 2.438 240 L HA 0.380 4.720 4.340 0.000 0.000 0.270 240 L C -1.762 175.138 176.870 0.050 0.000 0.972 240 L CA -0.893 53.961 54.840 0.024 0.000 0.831 240 L CB 2.164 44.223 42.059 0.001 0.000 1.273 240 L HN -0.264 nan 8.230 nan 0.000 0.405 241 L N 4.064 125.315 121.223 0.047 0.000 2.265 241 L HA 0.608 4.948 4.340 0.000 0.000 0.289 241 L C -0.267 176.657 176.870 0.091 0.000 1.033 241 L CA 0.336 55.228 54.840 0.088 0.000 0.814 241 L CB 1.377 43.491 42.059 0.091 0.000 1.203 241 L HN 0.733 nan 8.230 nan 0.000 0.423 242 S N 5.591 121.362 115.700 0.118 0.000 2.422 242 S HA 0.478 4.948 4.470 0.000 0.000 0.298 242 S C -0.825 173.894 174.600 0.199 0.000 1.118 242 S CA -0.419 57.854 58.200 0.122 0.000 1.083 242 S CB -0.091 63.178 63.200 0.115 0.000 0.971 242 S HN 0.461 nan 8.310 nan 0.000 0.478 243 F N 4.403 124.383 119.950 0.050 0.000 2.467 243 F HA 0.523 5.050 4.527 -0.000 0.000 0.336 243 F C -0.178 175.661 175.800 0.065 0.000 1.123 243 F CA -0.275 57.760 58.000 0.059 0.000 0.964 243 F CB 1.770 40.786 39.000 0.027 0.000 1.136 243 F HN 0.418 nan 8.300 nan 0.000 0.447 244 T N 4.882 119.188 114.554 -0.413 0.000 2.786 244 T HA 0.769 5.119 4.350 0.000 0.000 0.283 244 T C -0.081 174.267 174.700 -0.587 0.000 0.992 244 T CA -0.348 61.594 62.100 -0.262 0.000 0.954 244 T CB 1.078 69.900 68.868 -0.077 0.000 0.934 244 T HN 1.041 nan 8.240 nan 0.000 0.440 245 G N 1.735 110.397 108.800 -0.231 0.000 2.335 245 G HA2 0.458 4.418 3.960 0.000 0.000 0.291 245 G HA3 0.458 4.418 3.960 0.000 0.000 0.291 245 G C -0.551 174.452 174.900 0.171 0.000 1.261 245 G CA -0.423 44.620 45.100 -0.095 0.000 0.871 245 G HN 0.854 nan 8.290 nan 0.000 0.491 246 S N -1.022 114.790 115.700 0.186 0.000 2.568 246 S HA 0.346 4.816 4.470 0.000 0.000 0.282 246 S C 1.501 176.217 174.600 0.193 0.000 1.338 246 S CA 1.206 59.494 58.200 0.146 0.000 1.045 246 S CB 1.420 64.713 63.200 0.154 0.000 0.873 246 S HN 1.621 nan 8.310 nan 0.000 0.516 247 T N 0.175 114.816 114.554 0.146 0.000 2.915 247 T HA -0.195 4.155 4.350 0.000 0.000 0.269 247 T C 1.613 176.359 174.700 0.077 0.000 1.071 247 T CA 1.841 64.007 62.100 0.110 0.000 1.132 247 T CB -0.752 68.199 68.868 0.138 0.000 0.878 247 T HN 0.903 nan 8.240 nan 0.000 0.479 248 H N 0.451 119.546 119.070 0.041 0.000 2.321 248 H HA 0.052 4.609 4.556 0.002 0.000 0.300 248 H C 2.057 177.367 175.328 -0.030 0.000 1.087 248 H CA 2.093 58.150 56.048 0.015 0.000 1.319 248 H CB -0.589 29.196 29.762 0.040 0.000 1.379 248 H HN 0.253 nan 8.280 nan 0.000 0.501 249 V N 0.384 120.169 119.914 -0.215 0.000 2.379 249 V HA -0.120 4.000 4.120 0.000 0.000 0.245 249 V C 2.788 178.585 176.094 -0.496 0.000 1.044 249 V CA 1.619 63.736 62.300 -0.305 0.000 1.036 249 V CB -1.219 30.633 31.823 0.047 0.000 0.664 249 V HN 0.735 nan 8.190 nan 0.000 0.453 250 G N -0.146 108.373 108.800 -0.468 0.000 2.469 250 G HA2 -0.364 3.596 3.960 0.000 0.000 0.219 250 G HA3 -0.364 3.596 3.960 0.000 0.000 0.219 250 G C 1.639 176.258 174.900 -0.467 0.000 1.150 250 G CA 1.338 46.026 45.100 -0.688 0.000 0.763 250 G HN 0.493 nan 8.290 nan 0.000 0.561 251 K N -0.334 119.876 120.400 -0.316 0.000 2.032 251 K HA -0.060 4.260 4.320 0.000 0.000 0.209 251 K C 2.662 179.104 176.600 -0.263 0.000 1.048 251 K CA 1.457 57.590 56.287 -0.255 0.000 0.927 251 K CB -0.249 32.132 32.500 -0.197 0.000 0.712 251 K HN 0.332 nan 8.250 nan 0.000 0.441 252 M N 0.224 119.640 119.600 -0.306 0.000 2.082 252 M HA -0.215 4.265 4.480 0.000 0.000 0.258 252 M C 2.170 178.322 176.300 -0.246 0.000 1.069 252 M CA 1.581 56.727 55.300 -0.258 0.000 1.102 252 M CB -0.199 32.236 32.600 -0.275 0.000 1.336 252 M HN 0.011 nan 8.290 nan 0.000 0.404 253 V N 0.115 119.827 119.914 -0.337 0.000 2.295 253 V HA -0.273 3.847 4.120 0.000 0.000 0.246 253 V C 2.589 178.543 176.094 -0.233 0.000 1.049 253 V CA 2.008 64.121 62.300 -0.311 0.000 1.024 253 V CB -1.221 30.285 31.823 -0.527 0.000 0.648 253 V HN 0.551 nan 8.190 nan 0.000 0.447 254 A N -0.356 122.311 122.820 -0.255 0.000 1.873 254 A HA -0.274 4.046 4.320 0.000 0.000 0.218 254 A C 2.233 179.725 177.584 -0.153 0.000 1.193 254 A CA 2.335 54.264 52.037 -0.180 0.000 0.629 254 A CB -0.551 18.342 19.000 -0.178 0.000 0.826 254 A HN 0.412 nan 8.150 nan 0.000 0.447 255 M N -1.150 118.355 119.600 -0.159 0.000 2.149 255 M HA -0.125 4.355 4.480 0.000 0.000 0.261 255 M C 2.325 178.545 176.300 -0.134 0.000 1.064 255 M CA 1.546 56.762 55.300 -0.140 0.000 1.102 255 M CB -1.198 31.324 32.600 -0.130 0.000 1.369 255 M HN 0.478 nan 8.290 nan 0.000 0.408 256 M N -0.872 118.651 119.600 -0.128 0.000 2.132 256 M HA -0.161 4.319 4.480 0.000 0.000 0.263 256 M C 2.179 178.419 176.300 -0.099 0.000 1.065 256 M CA 1.178 56.414 55.300 -0.106 0.000 1.122 256 M CB -0.349 32.193 32.600 -0.097 0.000 1.365 256 M HN 0.039 nan 8.290 nan 0.000 0.411 257 V N -0.093 119.762 119.914 -0.098 0.000 2.358 257 V HA -0.253 3.867 4.120 0.000 0.000 0.246 257 V C 2.287 178.316 176.094 -0.108 0.000 1.047 257 V CA 1.793 64.047 62.300 -0.077 0.000 1.035 257 V CB -0.700 31.088 31.823 -0.059 0.000 0.658 257 V HN 0.437 nan 8.190 nan 0.000 0.452 258 Q N 0.369 120.083 119.800 -0.144 0.000 2.096 258 Q HA -0.228 4.112 4.340 0.000 0.000 0.204 258 Q C 2.250 178.037 176.000 -0.355 0.000 0.982 258 Q CA 1.852 57.525 55.803 -0.217 0.000 0.850 258 Q CB -0.511 28.113 28.738 -0.190 0.000 0.901 258 Q HN 0.563 nan 8.270 nan 0.000 0.422 259 E N 0.470 120.513 120.200 -0.263 0.000 2.114 259 E HA -0.229 4.122 4.350 0.000 0.000 0.199 259 E C 1.267 177.703 176.600 -0.273 0.000 1.008 259 E CA 1.734 57.978 56.400 -0.259 0.000 0.810 259 E CB -0.026 29.584 29.700 -0.150 0.000 0.739 259 E HN 0.604 nan 8.360 nan 0.000 0.456 260 R N -1.475 118.922 120.500 -0.172 0.000 2.466 260 R HA 0.121 4.461 4.340 0.000 0.000 0.279 260 R C 0.039 176.382 176.300 0.072 0.000 0.976 260 R CA -0.140 55.934 56.100 -0.042 0.000 1.081 260 R CB -0.524 29.774 30.300 -0.003 0.000 1.215 260 R HN -0.143 nan 8.270 nan 0.000 0.546 261 F N 0.516 120.454 119.950 -0.020 0.000 3.090 261 F HA -0.227 4.301 4.527 0.001 0.000 0.282 261 F C 0.932 176.720 175.800 -0.020 0.000 0.923 261 F CA 1.029 59.017 58.000 -0.021 0.000 0.977 261 F CB -1.646 37.342 39.000 -0.019 0.000 0.954 261 F HN 0.429 nan 8.300 nan 0.000 0.695 262 G N 0.265 109.118 108.800 0.088 0.000 2.562 262 G HA2 0.585 4.545 3.960 0.000 0.000 0.275 262 G HA3 0.585 4.545 3.960 0.000 0.000 0.275 262 G C -0.028 174.896 174.900 0.041 0.000 1.196 262 G CA -0.976 44.157 45.100 0.056 0.000 0.908 262 G HN 0.249 nan 8.290 nan 0.000 0.524 263 R N 0.038 120.555 120.500 0.027 0.000 2.410 263 R HA 0.387 4.727 4.340 0.000 0.000 0.288 263 R C 0.127 176.422 176.300 -0.008 0.000 1.051 263 R CA -0.377 55.728 56.100 0.008 0.000 1.021 263 R CB 1.211 31.513 30.300 0.003 0.000 1.032 263 R HN 0.672 nan 8.270 nan 0.000 0.481 264 K N 2.523 122.909 120.400 -0.023 0.000 2.426 264 K HA 0.475 4.796 4.320 0.000 0.000 0.251 264 K C -1.412 175.162 176.600 -0.043 0.000 0.941 264 K CA -0.850 55.423 56.287 -0.024 0.000 0.808 264 K CB 1.968 34.452 32.500 -0.027 0.000 1.265 264 K HN 0.446 nan 8.250 nan 0.000 0.432 265 L N 3.838 125.044 121.223 -0.028 0.000 2.372 265 L HA 0.434 4.774 4.340 0.000 0.000 0.273 265 L C -1.676 175.218 176.870 0.040 0.000 0.989 265 L CA -0.819 53.998 54.840 -0.038 0.000 0.841 265 L CB 1.061 43.056 42.059 -0.107 0.000 1.225 265 L HN 0.634 nan 8.230 nan 0.000 0.414 266 L N 5.113 126.356 121.223 0.033 0.000 2.287 266 L HA 0.519 4.859 4.340 0.000 0.000 0.287 266 L C -0.416 176.505 176.870 0.085 0.000 1.022 266 L CA -0.505 54.384 54.840 0.083 0.000 0.814 266 L CB 1.505 43.580 42.059 0.027 0.000 1.217 266 L HN 0.527 nan 8.230 nan 0.000 0.420 267 E N 5.839 126.128 120.200 0.149 0.000 2.593 267 E HA 0.419 4.769 4.350 0.000 0.000 0.232 267 E C -0.536 176.155 176.600 0.152 0.000 1.026 267 E CA -0.125 56.352 56.400 0.128 0.000 0.772 267 E CB 1.734 31.526 29.700 0.153 0.000 1.310 267 E HN 0.537 nan 8.360 nan 0.000 0.413 268 L N -0.493 120.805 121.223 0.125 0.000 2.836 268 L HA 0.622 4.963 4.340 0.000 0.000 0.216 268 L C 1.241 178.176 176.870 0.109 0.000 1.861 268 L CA -1.201 53.722 54.840 0.139 0.000 2.145 268 L CB -0.105 42.028 42.059 0.123 0.000 2.671 268 L HN 0.297 nan 8.230 nan 0.000 0.594 269 G N -1.212 107.655 108.800 0.112 0.000 2.606 269 G HA2 0.470 4.431 3.960 0.000 0.000 0.252 269 G HA3 0.470 4.431 3.960 0.000 0.000 0.252 269 G C -0.480 174.495 174.900 0.126 0.000 1.206 269 G CA 0.167 45.338 45.100 0.118 0.000 0.861 269 G HN 0.701 nan 8.290 nan 0.000 0.561 270 G N -0.798 108.098 108.800 0.160 0.000 2.574 270 G HA2 0.442 4.403 3.960 0.000 0.000 0.299 270 G HA3 0.442 4.403 3.960 0.000 0.000 0.299 270 G C -0.932 174.065 174.900 0.161 0.000 1.298 270 G CA -0.587 44.599 45.100 0.145 0.000 0.952 270 G HN 0.579 nan 8.290 nan 0.000 0.477 271 N N 0.745 119.520 118.700 0.125 0.000 2.733 271 N HA 0.105 4.845 4.740 0.000 0.000 0.271 271 N C -0.812 174.776 175.510 0.129 0.000 1.720 271 N CA -0.525 52.604 53.050 0.132 0.000 0.803 271 N CB 0.262 38.797 38.487 0.079 0.000 1.208 271 N HN 0.444 nan 8.380 nan 0.000 0.498 272 N N 0.661 119.454 118.700 0.154 0.000 2.488 272 N HA 0.325 5.065 4.740 0.000 0.000 0.274 272 N C -0.417 175.194 175.510 0.168 0.000 1.111 272 N CA -0.057 53.084 53.050 0.151 0.000 0.974 272 N CB 1.767 40.348 38.487 0.157 0.000 1.089 272 N HN 0.354 nan 8.380 nan 0.000 0.465 273 A N 2.849 125.773 122.820 0.174 0.000 2.318 273 A HA 0.608 4.928 4.320 0.000 0.000 0.324 273 A C -0.026 177.672 177.584 0.190 0.000 1.170 273 A CA -0.697 51.449 52.037 0.181 0.000 0.810 273 A CB 0.653 19.762 19.000 0.181 0.000 1.198 273 A HN 0.671 nan 8.150 nan 0.000 0.484 274 I N 2.908 123.582 120.570 0.174 0.000 2.354 274 I HA 0.332 4.502 4.170 0.000 0.000 0.292 274 I C -0.738 175.453 176.117 0.123 0.000 0.989 274 I CA -0.257 61.157 61.300 0.189 0.000 1.188 274 I CB 1.430 39.544 38.000 0.190 0.000 1.342 274 I HN 0.499 nan 8.210 nan 0.000 0.457 275 I N 7.090 127.707 120.570 0.078 0.000 2.355 275 I HA 0.306 4.476 4.170 0.000 0.000 0.288 275 I C -0.542 175.610 176.117 0.059 0.000 0.999 275 I CA -0.732 60.535 61.300 -0.056 0.000 1.163 275 I CB 1.682 39.501 38.000 -0.300 0.000 1.316 275 I HN 0.164 nan 8.210 nan 0.000 0.454 276 V N 7.088 127.061 119.914 0.098 0.000 2.347 276 V HA 0.371 4.491 4.120 0.000 0.000 0.280 276 V C -0.062 176.113 176.094 0.135 0.000 1.021 276 V CA -0.399 61.993 62.300 0.154 0.000 0.847 276 V CB 0.833 32.691 31.823 0.058 0.000 0.990 276 V HN 0.393 nan 8.190 nan 0.000 0.444 277 F N 1.681 121.768 119.950 0.228 0.000 2.375 277 F HA 0.301 4.828 4.527 0.001 0.000 0.317 277 F C 1.717 177.509 175.800 -0.013 0.000 1.124 277 F CA -0.234 57.852 58.000 0.142 0.000 1.050 277 F CB 0.810 39.859 39.000 0.082 0.000 1.314 277 F HN 0.549 nan 8.300 nan 0.000 0.511 278 E N 0.420 120.624 120.200 0.007 0.000 2.118 278 E HA -0.244 4.106 4.350 0.000 0.000 0.195 278 E C 1.175 177.782 176.600 0.011 0.000 0.992 278 E CA 1.681 58.028 56.400 -0.089 0.000 0.804 278 E CB -0.082 29.448 29.700 -0.283 0.000 0.741 278 E HN 0.679 nan 8.360 nan 0.000 0.458 279 D N -0.092 120.333 120.400 0.042 0.000 2.319 279 D HA 0.063 4.704 4.640 0.000 0.000 0.230 279 D C 0.042 176.388 176.300 0.077 0.000 1.094 279 D CA 0.105 54.129 54.000 0.040 0.000 0.856 279 D CB -0.121 40.686 40.800 0.012 0.000 0.915 279 D HN 0.157 nan 8.370 nan 0.000 0.517 280 A N 0.588 123.482 122.820 0.123 0.000 2.445 280 A HA 0.164 4.484 4.320 0.000 0.000 0.242 280 A C 0.192 177.846 177.584 0.115 0.000 1.075 280 A CA -0.346 51.787 52.037 0.160 0.000 0.777 280 A CB 0.255 19.387 19.000 0.221 0.000 1.013 280 A HN 0.121 nan 8.150 nan 0.000 0.493 281 D N 1.829 122.310 120.400 0.135 0.000 2.344 281 D HA 0.172 4.812 4.640 0.000 0.000 0.253 281 D C 0.667 177.016 176.300 0.081 0.000 1.255 281 D CA -0.278 53.783 54.000 0.101 0.000 0.894 281 D CB 0.368 41.235 40.800 0.111 0.000 1.067 281 D HN 0.229 nan 8.370 nan 0.000 0.492 282 L N 4.154 125.401 121.223 0.040 0.000 2.217 282 L HA -0.063 4.278 4.340 0.000 0.000 0.211 282 L C 1.875 178.741 176.870 -0.007 0.000 1.107 282 L CA 0.849 55.689 54.840 0.000 0.000 0.783 282 L CB -0.785 41.271 42.059 -0.005 0.000 0.919 282 L HN 0.406 nan 8.230 nan 0.000 0.442 283 N N -0.776 117.936 118.700 0.020 0.000 2.381 283 N HA -0.124 4.616 4.740 0.000 0.000 0.182 283 N C 1.762 177.297 175.510 0.041 0.000 1.025 283 N CA 0.737 53.802 53.050 0.025 0.000 0.888 283 N CB -0.051 38.458 38.487 0.036 0.000 0.965 283 N HN 0.257 nan 8.380 nan 0.000 0.438 284 L N 0.007 121.269 121.223 0.066 0.000 2.168 284 L HA 0.109 4.449 4.340 0.000 0.000 0.203 284 L C 1.871 178.759 176.870 0.030 0.000 1.078 284 L CA 0.888 55.797 54.840 0.115 0.000 0.780 284 L CB -0.492 41.695 42.059 0.213 0.000 0.939 284 L HN -0.189 nan 8.230 nan 0.000 0.451 285 V N -0.538 119.312 119.914 -0.106 0.000 2.233 285 V HA -0.316 3.804 4.120 0.000 0.000 0.247 285 V C 2.533 178.456 176.094 -0.285 0.000 1.050 285 V CA 1.992 64.035 62.300 -0.429 0.000 1.010 285 V CB -0.706 30.899 31.823 -0.364 0.000 0.637 285 V HN 0.342 nan 8.190 nan 0.000 0.444 286 V N 0.465 120.283 119.914 -0.160 0.000 2.252 286 V HA -0.195 3.925 4.120 0.000 0.000 0.249 286 V C 0.171 176.175 176.094 -0.149 0.000 1.056 286 V CA 2.871 65.090 62.300 -0.134 0.000 1.022 286 V CB -1.979 29.788 31.823 -0.093 0.000 0.641 286 V HN 0.538 nan 8.190 nan 0.000 0.445 287 P HA -0.042 nan 4.420 nan 0.000 0.217 287 P C 1.956 179.201 177.300 -0.091 0.000 1.151 287 P CA 1.405 64.401 63.100 -0.173 0.000 0.828 287 P CB -0.069 31.657 31.700 0.043 0.000 0.788 288 S N 0.153 115.870 115.700 0.028 0.000 2.353 288 S HA -0.192 4.278 4.470 0.000 0.000 0.222 288 S C 2.119 176.750 174.600 0.051 0.000 1.035 288 S CA 1.633 59.905 58.200 0.121 0.000 1.025 288 S CB -1.266 62.022 63.200 0.147 0.000 0.902 288 S HN 0.157 nan 8.310 nan 0.000 0.440 289 A N 1.227 123.998 122.820 -0.082 0.000 1.883 289 A HA -0.094 4.226 4.320 0.000 0.000 0.217 289 A C 2.371 179.955 177.584 -0.000 0.000 1.186 289 A CA 1.828 53.835 52.037 -0.049 0.000 0.624 289 A CB -1.103 17.832 19.000 -0.109 0.000 0.822 289 A HN 0.335 nan 8.150 nan 0.000 0.444 290 V N -0.992 118.862 119.914 -0.099 0.000 2.233 290 V HA -0.275 3.845 4.120 0.000 0.000 0.247 290 V C 2.357 178.372 176.094 -0.132 0.000 1.050 290 V CA 2.356 64.561 62.300 -0.159 0.000 1.010 290 V CB -1.127 30.430 31.823 -0.443 0.000 0.637 290 V HN 0.552 nan 8.190 nan 0.000 0.444 291 F N 0.844 120.823 119.950 0.048 0.000 2.171 291 F HA -0.038 4.489 4.527 0.000 0.000 0.300 291 F C 2.410 178.253 175.800 0.073 0.000 1.090 291 F CA 0.961 58.991 58.000 0.050 0.000 1.293 291 F CB -1.318 37.717 39.000 0.057 0.000 1.013 291 F HN 0.102 nan 8.300 nan 0.000 0.486 292 A N -0.940 122.030 122.820 0.249 0.000 2.015 292 A HA -0.095 4.225 4.320 0.000 0.000 0.219 292 A C 2.331 180.015 177.584 0.166 0.000 1.163 292 A CA 1.858 54.017 52.037 0.204 0.000 0.646 292 A CB -0.765 18.353 19.000 0.198 0.000 0.806 292 A HN 0.319 nan 8.150 nan 0.000 0.448 293 S N -1.185 114.603 115.700 0.147 0.000 2.404 293 S HA 0.014 4.484 4.470 0.000 0.000 0.223 293 S C 1.718 176.394 174.600 0.127 0.000 1.040 293 S CA 1.019 59.304 58.200 0.142 0.000 0.957 293 S CB 0.010 63.319 63.200 0.182 0.000 0.826 293 S HN 0.271 nan 8.310 nan 0.000 0.491 294 V N 1.639 121.611 119.914 0.097 0.000 2.878 294 V HA 0.180 4.301 4.120 0.000 0.000 0.250 294 V C 1.466 177.677 176.094 0.196 0.000 1.075 294 V CA 0.602 62.960 62.300 0.096 0.000 1.096 294 V CB -0.852 30.895 31.823 -0.125 0.000 0.724 294 V HN 0.479 nan 8.190 nan 0.000 0.467 295 G N 0.019 108.924 108.800 0.174 0.000 2.391 295 G HA2 0.221 4.182 3.960 0.000 0.000 0.234 295 G HA3 0.221 4.182 3.960 0.000 0.000 0.234 295 G C 0.759 175.692 174.900 0.055 0.000 1.284 295 G CA 0.832 46.014 45.100 0.136 0.000 0.873 295 G HN 0.520 nan 8.290 nan 0.000 0.549 296 T N -0.133 114.416 114.554 -0.008 0.000 4.386 296 T HA -0.163 4.187 4.350 0.000 0.000 0.320 296 T C 1.460 176.064 174.700 -0.159 0.000 0.916 296 T CA 1.727 63.767 62.100 -0.100 0.000 2.028 296 T CB -1.962 66.839 68.868 -0.111 0.000 1.935 296 T HN 2.654 nan 8.240 nan 0.000 0.894 297 A N -0.991 121.716 122.820 -0.189 0.000 2.822 297 A HA 0.212 4.532 4.320 0.000 0.000 0.287 297 A C 2.155 179.681 177.584 -0.096 0.000 1.479 297 A CA 1.435 53.301 52.037 -0.284 0.000 0.779 297 A CB -2.051 16.599 19.000 -0.583 0.000 1.022 297 A HN 2.673 nan 8.150 nan 0.000 0.532 298 G N -2.155 106.620 108.800 -0.042 0.000 2.160 298 G HA2 -0.267 3.693 3.960 0.000 0.000 0.251 298 G HA3 -0.267 3.693 3.960 0.000 0.000 0.251 298 G C 0.175 174.886 174.900 -0.315 0.000 1.008 298 G CA 0.915 45.971 45.100 -0.073 0.000 0.724 298 G HN 1.392 nan 8.290 nan 0.000 0.514 299 Q N -0.632 118.945 119.800 -0.371 0.000 2.186 299 Q HA 0.201 4.541 4.340 0.000 0.000 0.241 299 Q C 0.938 176.709 176.000 -0.382 0.000 0.849 299 Q CA -0.314 55.031 55.803 -0.763 0.000 1.053 299 Q CB 0.635 29.182 28.738 -0.318 0.000 1.146 299 Q HN 0.598 nan 8.270 nan 0.000 0.475 300 R N 0.046 120.494 120.500 -0.086 0.000 2.486 300 R HA 0.188 4.528 4.340 0.000 0.000 0.286 300 R C 1.247 177.776 176.300 0.381 0.000 0.999 300 R CA -0.246 56.044 56.100 0.316 0.000 0.993 300 R CB 0.796 31.311 30.300 0.358 0.000 1.084 300 R HN 0.296 nan 8.270 nan 0.000 0.487 301 C N -1.049 118.559 119.300 0.514 0.000 2.419 301 C HA -0.075 4.385 4.460 0.000 0.000 0.283 301 C C 2.103 177.294 174.990 0.335 0.000 1.373 301 C CA 0.763 60.058 59.018 0.461 0.000 1.781 301 C CB -1.347 26.601 27.740 0.347 0.000 1.886 301 C HN 0.907 nan 8.230 nan 0.000 0.520 302 T N -2.528 112.210 114.554 0.307 0.000 3.107 302 T HA 0.114 4.464 4.350 0.000 0.000 0.249 302 T C 0.510 175.339 174.700 0.214 0.000 1.096 302 T CA 0.321 62.571 62.100 0.250 0.000 1.012 302 T CB -0.762 68.269 68.868 0.271 0.000 0.977 302 T HN 0.521 nan 8.240 nan 0.000 0.527 303 T N 3.925 118.601 114.554 0.202 0.000 2.946 303 T HA 0.133 4.483 4.350 0.000 0.000 0.312 303 T C 0.323 175.122 174.700 0.164 0.000 1.066 303 T CA 0.269 62.464 62.100 0.159 0.000 1.138 303 T CB 0.450 69.371 68.868 0.088 0.000 1.014 303 T HN 0.329 nan 8.240 nan 0.000 0.544 304 T N 5.233 119.883 114.554 0.160 0.000 2.817 304 T HA 0.103 4.453 4.350 0.000 0.000 0.295 304 T C 1.318 176.111 174.700 0.155 0.000 0.958 304 T CA -0.508 61.689 62.100 0.161 0.000 1.157 304 T CB 0.524 69.484 68.868 0.153 0.000 0.898 304 T HN 0.444 nan 8.240 nan 0.000 0.536 305 R N 2.383 122.992 120.500 0.181 0.000 2.287 305 R HA 0.180 4.520 4.340 0.000 0.000 0.197 305 R C 0.401 176.866 176.300 0.274 0.000 0.900 305 R CA 0.321 56.553 56.100 0.220 0.000 1.052 305 R CB 0.545 31.006 30.300 0.269 0.000 1.117 305 R HN 0.486 nan 8.270 nan 0.000 0.568 306 R N 1.102 121.742 120.500 0.233 0.000 2.439 306 R HA 0.399 4.739 4.340 0.000 0.000 0.310 306 R C -1.158 175.254 176.300 0.185 0.000 0.955 306 R CA -0.765 55.477 56.100 0.236 0.000 0.853 306 R CB 2.037 32.469 30.300 0.219 0.000 1.171 306 R HN -0.146 nan 8.270 nan 0.000 0.449 307 L N 4.234 125.558 121.223 0.169 0.000 2.316 307 L HA 0.460 4.800 4.340 0.000 0.000 0.280 307 L C -0.930 176.042 176.870 0.169 0.000 1.006 307 L CA -0.235 54.683 54.840 0.130 0.000 0.836 307 L CB 1.339 43.436 42.059 0.064 0.000 1.221 307 L HN 0.605 nan 8.230 nan 0.000 0.418 308 M N 6.661 126.375 119.600 0.190 0.000 2.113 308 M HA 0.437 4.917 4.480 0.000 0.000 0.352 308 M C -1.091 175.425 176.300 0.360 0.000 1.170 308 M CA -0.216 55.264 55.300 0.300 0.000 1.053 308 M CB 1.112 33.831 32.600 0.199 0.000 1.601 308 M HN 0.451 nan 8.290 nan 0.000 0.459 309 L N 2.617 124.064 121.223 0.374 0.000 2.341 309 L HA 0.452 4.792 4.340 0.000 0.000 0.278 309 L C 0.307 177.132 176.870 -0.076 0.000 1.005 309 L CA -0.912 54.044 54.840 0.193 0.000 0.818 309 L CB 1.438 43.551 42.059 0.090 0.000 1.259 309 L HN 0.625 nan 8.230 nan 0.000 0.418 310 H N 3.708 122.459 119.070 -0.532 0.000 2.928 310 H HA -0.040 4.516 4.556 0.001 0.000 0.338 310 H C 0.846 175.937 175.328 -0.394 0.000 1.047 310 H CA 0.584 56.053 56.048 -0.964 0.000 1.435 310 H CB 1.267 30.592 29.762 -0.728 0.000 1.428 310 H HN 0.872 nan 8.280 nan 0.000 0.590 311 E N 2.215 121.886 120.200 -0.881 0.000 2.147 311 E HA -0.254 4.096 4.350 0.000 0.000 0.199 311 E C 1.674 178.150 176.600 -0.206 0.000 1.005 311 E CA 1.809 57.935 56.400 -0.456 0.000 0.810 311 E CB -0.151 29.268 29.700 -0.469 0.000 0.736 311 E HN 0.624 nan 8.360 nan 0.000 0.460 312 S N 0.901 116.533 115.700 -0.113 0.000 2.419 312 S HA -0.117 4.353 4.470 0.000 0.000 0.233 312 S C 2.112 176.746 174.600 0.056 0.000 1.016 312 S CA 1.248 59.487 58.200 0.064 0.000 0.974 312 S CB -0.233 63.090 63.200 0.205 0.000 0.786 312 S HN 0.430 nan 8.310 nan 0.000 0.492 313 V N -2.706 117.244 119.914 0.061 0.000 3.556 313 V HA 0.286 4.406 4.120 0.000 0.000 0.287 313 V C 2.082 178.192 176.094 0.027 0.000 1.422 313 V CA 0.295 62.617 62.300 0.036 0.000 1.038 313 V CB -0.886 30.955 31.823 0.030 0.000 0.850 313 V HN 0.509 nan 8.190 nan 0.000 0.437 314 H N 2.392 121.425 119.070 -0.061 0.000 2.252 314 H HA -0.240 4.316 4.556 0.000 0.000 0.292 314 H C 1.769 177.071 175.328 -0.043 0.000 1.082 314 H CA 2.928 58.942 56.048 -0.057 0.000 1.229 314 H CB -0.262 29.455 29.762 -0.075 0.000 1.353 314 H HN 0.461 nan 8.280 nan 0.000 0.488 315 D N 0.341 120.814 120.400 0.123 0.000 2.144 315 D HA -0.069 4.571 4.640 0.000 0.000 0.199 315 D C 2.294 178.571 176.300 -0.038 0.000 0.984 315 D CA 1.190 55.222 54.000 0.053 0.000 0.834 315 D CB -0.564 40.292 40.800 0.093 0.000 0.955 315 D HN 0.506 nan 8.370 nan 0.000 0.465 316 A N 0.599 123.403 122.820 -0.028 0.000 1.898 316 A HA -0.114 4.206 4.320 0.000 0.000 0.216 316 A C 2.522 180.065 177.584 -0.068 0.000 1.181 316 A CA 1.149 53.163 52.037 -0.037 0.000 0.620 316 A CB -0.663 18.325 19.000 -0.019 0.000 0.819 316 A HN 0.142 nan 8.150 nan 0.000 0.442 317 V N -0.490 119.368 119.914 -0.093 0.000 2.323 317 V HA -0.200 3.920 4.120 0.000 0.000 0.244 317 V C 2.571 178.573 176.094 -0.154 0.000 1.041 317 V CA 1.784 64.015 62.300 -0.116 0.000 1.025 317 V CB -0.800 30.952 31.823 -0.118 0.000 0.656 317 V HN 0.348 nan 8.190 nan 0.000 0.451 318 V N 0.008 119.790 119.914 -0.220 0.000 2.282 318 V HA -0.368 3.753 4.120 0.000 0.000 0.249 318 V C 2.481 178.474 176.094 -0.168 0.000 1.057 318 V CA 2.589 64.749 62.300 -0.234 0.000 1.032 318 V CB -0.594 31.049 31.823 -0.299 0.000 0.645 318 V HN 0.649 nan 8.190 nan 0.000 0.447 319 E N -0.371 119.755 120.200 -0.124 0.000 2.077 319 E HA -0.238 4.112 4.350 0.000 0.000 0.193 319 E C 2.485 179.038 176.600 -0.079 0.000 0.989 319 E CA 1.271 57.618 56.400 -0.088 0.000 0.800 319 E CB -0.027 29.637 29.700 -0.059 0.000 0.746 319 E HN 0.522 nan 8.360 nan 0.000 0.452 320 R N 0.030 120.483 120.500 -0.077 0.000 2.092 320 R HA -0.074 4.266 4.340 0.000 0.000 0.231 320 R C 2.451 178.711 176.300 -0.066 0.000 1.119 320 R CA 1.256 57.319 56.100 -0.062 0.000 0.970 320 R CB -0.191 30.074 30.300 -0.059 0.000 0.864 320 R HN 0.272 nan 8.270 nan 0.000 0.440 321 I N 0.438 120.951 120.570 -0.096 0.000 2.315 321 I HA -0.238 3.932 4.170 0.000 0.000 0.248 321 I C 2.551 178.618 176.117 -0.082 0.000 1.117 321 I CA 1.117 62.364 61.300 -0.088 0.000 1.404 321 I CB -0.421 37.490 38.000 -0.149 0.000 1.071 321 I HN 0.199 nan 8.210 nan 0.000 0.419 322 A N 0.881 123.610 122.820 -0.151 0.000 1.902 322 A HA -0.229 4.091 4.320 0.000 0.000 0.217 322 A C 2.321 179.894 177.584 -0.018 0.000 1.181 322 A CA 1.647 53.603 52.037 -0.135 0.000 0.623 322 A CB -0.445 18.474 19.000 -0.136 0.000 0.818 322 A HN 0.303 nan 8.150 nan 0.000 0.443 323 K N -0.469 119.919 120.400 -0.020 0.000 2.097 323 K HA -0.054 4.266 4.320 0.000 0.000 0.206 323 K C 2.245 178.855 176.600 0.017 0.000 1.049 323 K CA 1.055 57.340 56.287 -0.003 0.000 0.933 323 K CB -0.266 32.225 32.500 -0.014 0.000 0.717 323 K HN 0.464 nan 8.250 nan 0.000 0.442 324 A N 0.261 123.097 122.820 0.026 0.000 1.898 324 A HA -0.152 4.168 4.320 0.000 0.000 0.216 324 A C 1.795 179.408 177.584 0.049 0.000 1.181 324 A CA 1.105 53.151 52.037 0.015 0.000 0.620 324 A CB -0.682 18.300 19.000 -0.031 0.000 0.819 324 A HN 0.243 nan 8.150 nan 0.000 0.442 325 Y N 0.433 120.671 120.300 -0.103 0.000 2.193 325 Y HA -0.214 4.336 4.550 -0.000 0.000 0.285 325 Y C 2.318 178.165 175.900 -0.089 0.000 1.166 325 Y CA 1.890 59.928 58.100 -0.105 0.000 1.181 325 Y CB -0.295 38.105 38.460 -0.100 0.000 0.976 325 Y HN 0.289 nan 8.280 nan 0.000 0.520 326 K N -0.314 120.134 120.400 0.080 0.000 2.209 326 K HA -0.193 4.127 4.320 0.000 0.000 0.204 326 K C 1.633 178.231 176.600 -0.003 0.000 1.048 326 K CA 1.498 57.801 56.287 0.025 0.000 0.940 326 K CB -0.130 32.382 32.500 0.021 0.000 0.729 326 K HN 0.448 nan 8.250 nan 0.000 0.451 327 Q N 0.152 119.948 119.800 -0.007 0.000 2.360 327 Q HA 0.079 4.419 4.340 0.000 0.000 0.202 327 Q C -0.521 175.471 176.000 -0.014 0.000 0.915 327 Q CA -0.151 55.649 55.803 -0.006 0.000 0.943 327 Q CB 0.853 29.595 28.738 0.006 0.000 1.064 327 Q HN -0.010 nan 8.270 nan 0.000 0.511 328 V N 2.717 122.593 119.914 -0.062 0.000 2.425 328 V HA 0.002 4.122 4.120 0.000 0.000 0.276 328 V C 0.405 176.476 176.094 -0.040 0.000 1.017 328 V CA 0.403 62.654 62.300 -0.081 0.000 1.062 328 V CB 0.074 31.746 31.823 -0.253 0.000 0.997 328 V HN 0.225 nan 8.190 nan 0.000 0.476 329 R N 5.558 126.076 120.500 0.030 0.000 2.291 329 R HA 0.394 4.734 4.340 0.000 0.000 0.333 329 R C -0.469 175.893 176.300 0.104 0.000 1.082 329 R CA -0.064 56.066 56.100 0.050 0.000 0.948 329 R CB 0.322 30.656 30.300 0.057 0.000 1.009 329 R HN 0.613 nan 8.270 nan 0.000 0.460 330 I N 2.340 122.966 120.570 0.094 0.000 2.353 330 I HA 0.490 4.660 4.170 0.000 0.000 0.293 330 I C 0.969 177.141 176.117 0.092 0.000 0.992 330 I CA 0.010 61.425 61.300 0.192 0.000 1.268 330 I CB 1.679 39.786 38.000 0.178 0.000 1.387 330 I HN 0.741 nan 8.210 nan 0.000 0.478 331 G N 4.037 112.922 108.800 0.142 0.000 2.428 331 G HA2 0.119 4.079 3.960 0.000 0.000 0.305 331 G HA3 0.119 4.079 3.960 0.000 0.000 0.305 331 G C -1.866 173.141 174.900 0.178 0.000 1.260 331 G CA -0.731 44.398 45.100 0.049 0.000 0.853 331 G HN 0.485 nan 8.290 nan 0.000 0.480 332 D N 0.318 120.807 120.400 0.148 0.000 2.425 332 D HA 0.397 5.037 4.640 0.000 0.000 0.247 332 D C -1.118 175.323 176.300 0.236 0.000 1.147 332 D CA -1.240 52.895 54.000 0.225 0.000 0.879 332 D CB 1.699 42.615 40.800 0.193 0.000 1.179 332 D HN -0.024 nan 8.370 nan 0.000 0.456 333 P HA -0.077 nan 4.420 nan 0.000 0.222 333 P C 0.769 178.233 177.300 0.274 0.000 1.147 333 P CA 0.486 63.712 63.100 0.210 0.000 0.790 333 P CB 0.060 31.851 31.700 0.152 0.000 0.780 334 W N 0.853 122.202 121.300 0.083 0.000 2.584 334 W HA 0.040 4.700 4.660 0.000 0.000 0.264 334 W C 0.229 176.723 176.519 -0.041 0.000 1.264 334 W CA 0.553 57.903 57.345 0.009 0.000 1.306 334 W CB -0.685 28.773 29.460 -0.003 0.000 1.110 334 W HN -0.096 nan 8.180 nan 0.000 0.606 335 D N 1.398 121.911 120.400 0.188 0.000 2.371 335 D HA -0.007 4.633 4.640 0.000 0.000 0.256 335 D C -1.294 175.051 176.300 0.074 0.000 1.193 335 D CA -1.254 52.781 54.000 0.057 0.000 0.881 335 D CB 1.756 42.586 40.800 0.051 0.000 1.143 335 D HN -0.017 nan 8.370 nan 0.000 0.473 336 P HA -0.080 nan 4.420 nan 0.000 0.225 336 P C 1.153 178.484 177.300 0.052 0.000 1.148 336 P CA 0.489 63.620 63.100 0.052 0.000 0.779 336 P CB 0.451 32.158 31.700 0.012 0.000 0.780 337 S N -1.032 114.692 115.700 0.040 0.000 2.406 337 S HA -0.012 4.458 4.470 0.000 0.000 0.228 337 S C 0.881 175.521 174.600 0.067 0.000 1.020 337 S CA 0.702 58.928 58.200 0.043 0.000 0.965 337 S CB -0.759 62.457 63.200 0.027 0.000 0.798 337 S HN 0.260 nan 8.310 nan 0.000 0.488 338 T N 2.662 117.268 114.554 0.086 0.000 2.853 338 T HA 0.200 4.550 4.350 0.000 0.000 0.298 338 T C 0.954 175.729 174.700 0.124 0.000 0.978 338 T CA 0.240 62.409 62.100 0.116 0.000 1.152 338 T CB 0.640 69.593 68.868 0.141 0.000 0.914 338 T HN 0.164 nan 8.240 nan 0.000 0.539 339 L N 2.172 123.483 121.223 0.146 0.000 2.590 339 L HA 0.347 4.687 4.340 0.000 0.000 0.227 339 L C -0.078 176.923 176.870 0.218 0.000 1.099 339 L CA 0.081 55.015 54.840 0.156 0.000 0.872 339 L CB 0.262 42.420 42.059 0.165 0.000 1.088 339 L HN 0.624 nan 8.230 nan 0.000 0.479 340 Y N 0.276 120.620 120.300 0.073 0.000 2.362 340 Y HA 0.608 5.158 4.550 -0.000 0.000 0.326 340 Y C 0.029 176.007 175.900 0.129 0.000 1.083 340 Y CA -0.965 57.176 58.100 0.068 0.000 1.073 340 Y CB 1.340 39.823 38.460 0.038 0.000 1.211 340 Y HN -0.086 nan 8.280 nan 0.000 0.433 341 G N 4.894 113.547 108.800 -0.245 0.000 2.857 341 G HA2 0.636 4.596 3.960 0.000 0.000 0.217 341 G HA3 0.636 4.596 3.960 0.000 0.000 0.217 341 G C -2.944 171.621 174.900 -0.559 0.000 1.357 341 G CA -1.758 43.248 45.100 -0.157 0.000 1.033 341 G HN 0.416 nan 8.290 nan 0.000 0.571 342 P HA 0.335 nan 4.420 nan 0.000 0.278 342 P C -0.047 176.964 177.300 -0.482 0.000 1.258 342 P CA -0.496 62.047 63.100 -0.927 0.000 0.811 342 P CB 1.326 32.429 31.700 -0.994 0.000 1.063 343 L N 0.997 122.000 121.223 -0.367 0.000 2.473 343 L HA 0.037 4.377 4.340 0.000 0.000 0.268 343 L C 2.254 179.039 176.870 -0.141 0.000 1.215 343 L CA -0.107 54.617 54.840 -0.192 0.000 0.823 343 L CB -0.312 41.660 42.059 -0.145 0.000 1.099 343 L HN 0.588 nan 8.230 nan 0.000 0.483 344 H N 0.288 119.252 119.070 -0.176 0.000 2.389 344 H HA -0.047 4.510 4.556 0.000 0.000 0.299 344 H C 0.592 175.763 175.328 -0.262 0.000 1.081 344 H CA 1.356 57.253 56.048 -0.252 0.000 1.345 344 H CB 0.294 29.752 29.762 -0.507 0.000 1.393 344 H HN 0.760 nan 8.280 nan 0.000 0.520 345 T N -3.579 110.794 114.554 -0.302 0.000 2.838 345 T HA 0.323 4.673 4.350 0.000 0.000 0.292 345 T C 0.709 175.308 174.700 -0.167 0.000 1.113 345 T CA -0.968 60.957 62.100 -0.292 0.000 1.008 345 T CB 1.998 70.707 68.868 -0.264 0.000 1.259 345 T HN 0.084 nan 8.240 nan 0.000 0.520 346 K N -0.157 120.156 120.400 -0.146 0.000 2.155 346 K HA -0.055 4.265 4.320 0.000 0.000 0.203 346 K C 2.289 178.863 176.600 -0.044 0.000 1.052 346 K CA 1.127 57.359 56.287 -0.091 0.000 0.948 346 K CB -0.144 32.298 32.500 -0.096 0.000 0.728 346 K HN 0.483 nan 8.250 nan 0.000 0.448 347 Q N 0.476 120.250 119.800 -0.043 0.000 2.096 347 Q HA -0.129 4.211 4.340 0.000 0.000 0.204 347 Q C 2.040 178.064 176.000 0.040 0.000 0.982 347 Q CA 1.775 57.578 55.803 0.001 0.000 0.850 347 Q CB -0.382 28.357 28.738 0.001 0.000 0.901 347 Q HN 0.337 nan 8.270 nan 0.000 0.422 348 A N 0.124 122.962 122.820 0.030 0.000 1.917 348 A HA -0.196 4.124 4.320 0.000 0.000 0.219 348 A C 2.319 179.964 177.584 0.102 0.000 1.182 348 A CA 1.765 53.853 52.037 0.084 0.000 0.633 348 A CB -0.923 18.111 19.000 0.056 0.000 0.819 348 A HN 0.241 nan 8.150 nan 0.000 0.448 349 V N 0.679 120.621 119.914 0.047 0.000 2.343 349 V HA -0.255 3.865 4.120 0.000 0.000 0.247 349 V C 2.129 178.323 176.094 0.167 0.000 1.051 349 V CA 2.247 64.590 62.300 0.073 0.000 1.036 349 V CB -0.840 30.991 31.823 0.013 0.000 0.654 349 V HN 0.515 nan 8.190 nan 0.000 0.451 350 D N -0.251 120.215 120.400 0.111 0.000 2.117 350 D HA -0.151 4.489 4.640 0.000 0.000 0.197 350 D C 2.391 178.767 176.300 0.127 0.000 0.987 350 D CA 1.074 55.138 54.000 0.106 0.000 0.829 350 D CB -0.263 40.575 40.800 0.063 0.000 0.961 350 D HN 0.511 nan 8.370 nan 0.000 0.460 351 Q N -0.035 119.851 119.800 0.144 0.000 2.084 351 Q HA -0.201 4.139 4.340 0.000 0.000 0.202 351 Q C 2.246 178.358 176.000 0.185 0.000 0.978 351 Q CA 0.973 56.869 55.803 0.155 0.000 0.844 351 Q CB -0.798 28.050 28.738 0.183 0.000 0.898 351 Q HN 0.484 nan 8.270 nan 0.000 0.426 352 Y N 1.772 122.127 120.300 0.091 0.000 2.081 352 Y HA -0.243 4.307 4.550 -0.000 0.000 0.280 352 Y C 2.155 178.102 175.900 0.077 0.000 1.163 352 Y CA 1.557 59.710 58.100 0.088 0.000 1.135 352 Y CB -0.352 38.156 38.460 0.081 0.000 0.970 352 Y HN -0.022 nan 8.280 nan 0.000 0.498 353 L N -0.291 121.004 121.223 0.120 0.000 2.093 353 L HA -0.199 4.141 4.340 0.000 0.000 0.208 353 L C 2.782 179.639 176.870 -0.021 0.000 1.085 353 L CA 1.081 55.928 54.840 0.011 0.000 0.755 353 L CB -0.848 41.278 42.059 0.112 0.000 0.904 353 L HN 0.401 nan 8.230 nan 0.000 0.435 354 A N -0.201 122.634 122.820 0.025 0.000 1.930 354 A HA -0.091 4.230 4.320 0.000 0.000 0.217 354 A C 2.490 180.081 177.584 0.013 0.000 1.175 354 A CA 1.497 53.548 52.037 0.023 0.000 0.627 354 A CB -0.559 18.467 19.000 0.043 0.000 0.815 354 A HN 0.385 nan 8.150 nan 0.000 0.443 355 A N 0.026 122.857 122.820 0.019 0.000 1.930 355 A HA 0.007 4.328 4.320 0.000 0.000 0.217 355 A C 1.994 179.585 177.584 0.012 0.000 1.175 355 A CA 1.345 53.411 52.037 0.048 0.000 0.627 355 A CB -0.447 18.620 19.000 0.111 0.000 0.815 355 A HN 0.393 nan 8.150 nan 0.000 0.443 356 I N 0.004 120.514 120.570 -0.100 0.000 2.127 356 I HA -0.239 3.931 4.170 0.000 0.000 0.241 356 I C 2.494 178.583 176.117 -0.046 0.000 1.075 356 I CA 2.108 63.336 61.300 -0.121 0.000 1.334 356 I CB -1.344 36.514 38.000 -0.237 0.000 1.040 356 I HN 0.383 nan 8.210 nan 0.000 0.405 357 E N 1.204 121.382 120.200 -0.036 0.000 2.038 357 E HA -0.252 4.098 4.350 0.000 0.000 0.195 357 E C 2.229 178.824 176.600 -0.008 0.000 1.000 357 E CA 1.719 58.109 56.400 -0.016 0.000 0.803 357 E CB -0.226 29.468 29.700 -0.009 0.000 0.750 357 E HN 0.477 nan 8.360 nan 0.000 0.448 358 Q N -0.595 119.204 119.800 -0.002 0.000 2.124 358 Q HA -0.085 4.255 4.340 0.000 0.000 0.202 358 Q C 2.149 178.146 176.000 -0.004 0.000 0.977 358 Q CA 1.406 57.206 55.803 -0.005 0.000 0.850 358 Q CB -0.225 28.512 28.738 -0.002 0.000 0.901 358 Q HN 0.372 nan 8.270 nan 0.000 0.429 359 A N 1.459 124.294 122.820 0.024 0.000 1.883 359 A HA -0.252 4.068 4.320 0.000 0.000 0.217 359 A C 1.909 179.503 177.584 0.016 0.000 1.186 359 A CA 1.669 53.733 52.037 0.045 0.000 0.624 359 A CB -0.331 18.743 19.000 0.122 0.000 0.822 359 A HN 0.186 nan 8.150 nan 0.000 0.444 360 K N -1.147 119.256 120.400 0.005 0.000 2.002 360 K HA -0.201 4.119 4.320 0.000 0.000 0.209 360 K C 2.371 178.964 176.600 -0.011 0.000 1.048 360 K CA 1.732 58.017 56.287 -0.004 0.000 0.930 360 K CB -0.193 32.303 32.500 -0.008 0.000 0.714 360 K HN 0.416 nan 8.250 nan 0.000 0.438 361 Q N 0.925 120.717 119.800 -0.015 0.000 2.234 361 Q HA -0.150 4.190 4.340 0.000 0.000 0.206 361 Q C 1.039 177.020 176.000 -0.031 0.000 0.980 361 Q CA 1.531 57.321 55.803 -0.021 0.000 0.869 361 Q CB 0.174 28.899 28.738 -0.021 0.000 0.912 361 Q HN 0.284 nan 8.270 nan 0.000 0.436 362 Q N -1.926 117.853 119.800 -0.036 0.000 2.246 362 Q HA 0.256 4.596 4.340 0.000 0.000 0.202 362 Q C 0.219 176.189 176.000 -0.050 0.000 0.883 362 Q CA 0.353 56.123 55.803 -0.055 0.000 0.952 362 Q CB 0.804 29.497 28.738 -0.076 0.000 1.078 362 Q HN 0.445 nan 8.270 nan 0.000 0.493 363 G N -0.051 108.730 108.800 -0.032 0.000 2.131 363 G HA2 -0.197 3.763 3.960 0.000 0.000 0.223 363 G HA3 -0.197 3.763 3.960 0.000 0.000 0.223 363 G C 0.211 175.104 174.900 -0.012 0.000 0.990 363 G CA -0.400 44.685 45.100 -0.026 0.000 0.671 363 G HN 0.478 nan 8.290 nan 0.000 0.521 364 G N -0.384 108.416 108.800 0.000 0.000 2.420 364 G HA2 0.617 4.578 3.960 0.000 0.000 0.284 364 G HA3 0.617 4.578 3.960 0.000 0.000 0.284 364 G C -0.066 174.844 174.900 0.016 0.000 1.177 364 G CA 0.502 45.616 45.100 0.022 0.000 0.841 364 G HN 0.621 nan 8.290 nan 0.000 0.527 365 T N 1.852 116.417 114.554 0.019 0.000 2.779 365 T HA 0.348 4.698 4.350 0.000 0.000 0.280 365 T C -0.163 174.538 174.700 0.001 0.000 0.987 365 T CA -0.445 61.659 62.100 0.008 0.000 0.966 365 T CB 1.612 70.485 68.868 0.009 0.000 0.933 365 T HN 0.194 nan 8.240 nan 0.000 0.442 366 L N 4.068 125.286 121.223 -0.008 0.000 2.369 366 L HA 0.170 4.510 4.340 0.000 0.000 0.279 366 L C 1.449 178.301 176.870 -0.030 0.000 1.108 366 L CA 0.372 55.199 54.840 -0.022 0.000 0.852 366 L CB 0.707 42.754 42.059 -0.019 0.000 1.169 366 L HN 0.579 nan 8.230 nan 0.000 0.452 367 V N 2.546 122.429 119.914 -0.053 0.000 2.488 367 V HA -0.084 4.036 4.120 0.000 0.000 0.246 367 V C 0.646 176.698 176.094 -0.070 0.000 1.046 367 V CA 1.261 63.518 62.300 -0.071 0.000 1.053 367 V CB 0.023 31.777 31.823 -0.115 0.000 0.679 367 V HN 0.991 nan 8.190 nan 0.000 0.458 368 C N -3.565 115.693 119.300 -0.069 0.000 3.275 368 C HA 0.783 5.243 4.460 0.000 0.000 0.340 368 C C 0.483 175.480 174.990 0.012 0.000 1.366 368 C CA -0.563 58.438 59.018 -0.030 0.000 1.227 368 C CB 0.955 28.671 27.740 -0.040 0.000 1.512 368 C HN 1.251 nan 8.230 nan 0.000 0.461 369 G N 0.364 109.198 108.800 0.057 0.000 2.598 369 G HA2 0.403 4.363 3.960 0.000 0.000 0.244 369 G HA3 0.403 4.363 3.960 0.000 0.000 0.244 369 G C 1.137 176.100 174.900 0.105 0.000 1.302 369 G CA 1.858 47.025 45.100 0.111 0.000 0.903 369 G HN 3.307 nan 8.290 nan 0.000 0.575 370 G N -2.177 106.731 108.800 0.180 0.000 2.213 370 G HA2 -0.136 3.824 3.960 0.000 0.000 0.226 370 G HA3 -0.136 3.824 3.960 0.000 0.000 0.226 370 G C 0.256 175.262 174.900 0.176 0.000 0.992 370 G CA 1.427 46.574 45.100 0.079 0.000 0.632 370 G HN 1.132 nan 8.290 nan 0.000 0.511 371 K N 0.650 121.197 120.400 0.245 0.000 2.207 371 K HA 0.627 4.947 4.320 0.000 0.000 0.255 371 K C 0.246 176.989 176.600 0.239 0.000 0.941 371 K CA -0.880 55.533 56.287 0.211 0.000 0.825 371 K CB 2.941 35.512 32.500 0.118 0.000 1.119 371 K HN 0.034 nan 8.250 nan 0.000 0.430 372 V N 4.115 124.152 119.914 0.206 0.000 2.599 372 V HA -0.004 4.117 4.120 0.000 0.000 0.300 372 V C 0.581 176.734 176.094 0.098 0.000 1.034 372 V CA 0.264 62.640 62.300 0.127 0.000 1.115 372 V CB 0.083 31.972 31.823 0.109 0.000 0.934 372 V HN 0.692 nan 8.190 nan 0.000 0.485 373 M N 3.632 123.289 119.600 0.095 0.000 2.217 373 M HA 0.184 4.664 4.480 0.000 0.000 0.354 373 M C 0.175 176.513 176.300 0.063 0.000 1.225 373 M CA -0.197 55.151 55.300 0.080 0.000 1.137 373 M CB 0.288 32.945 32.600 0.094 0.000 1.576 373 M HN 0.585 nan 8.290 nan 0.000 0.461 374 D N 4.975 125.397 120.400 0.037 0.000 2.508 374 D HA 0.211 4.851 4.640 0.000 0.000 0.224 374 D C -0.621 175.685 176.300 0.010 0.000 1.171 374 D CA 0.063 54.079 54.000 0.027 0.000 1.006 374 D CB 0.178 40.990 40.800 0.020 0.000 1.073 374 D HN 0.578 nan 8.370 nan 0.000 0.513 375 R N 0.998 121.511 120.500 0.021 0.000 2.728 375 R HA 0.504 4.844 4.340 0.000 0.000 0.274 375 R C -3.009 173.323 176.300 0.054 0.000 1.032 375 R CA -1.559 54.541 56.100 0.001 0.000 0.866 375 R CB -0.408 29.840 30.300 -0.086 0.000 1.263 375 R HN -0.081 nan 8.270 nan 0.000 0.475 376 P HA 0.242 nan 4.420 nan 0.000 0.266 376 P C 0.081 177.515 177.300 0.222 0.000 1.193 376 P CA 1.570 64.730 63.100 0.100 0.000 0.770 376 P CB 0.422 32.172 31.700 0.084 0.000 0.836 377 G N 2.056 110.967 108.800 0.186 0.000 2.712 377 G HA2 -0.178 3.782 3.960 0.000 0.000 0.683 377 G HA3 -0.178 3.782 3.960 0.000 0.000 0.683 377 G C -0.486 174.475 174.900 0.103 0.000 1.320 377 G CA -0.810 44.401 45.100 0.185 0.000 0.847 377 G HN 0.543 nan 8.290 nan 0.000 0.553 378 N N 0.477 119.106 118.700 -0.118 0.000 3.052 378 N HA 0.245 4.985 4.740 0.000 0.000 0.302 378 N C -0.625 174.757 175.510 -0.215 0.000 1.332 378 N CA 0.214 53.174 53.050 -0.149 0.000 1.129 378 N CB 0.022 38.394 38.487 -0.191 0.000 1.436 378 N HN 0.417 nan 8.380 nan 0.000 0.536 379 Y N 0.326 120.600 120.300 -0.044 0.000 2.336 379 Y HA 0.272 4.822 4.550 -0.000 0.000 0.335 379 Y C 0.931 176.800 175.900 -0.051 0.000 1.046 379 Y CA -0.789 57.296 58.100 -0.024 0.000 1.198 379 Y CB 1.016 39.492 38.460 0.027 0.000 1.182 379 Y HN -0.014 nan 8.280 nan 0.000 0.502 380 V N -0.040 119.897 119.914 0.040 0.000 2.962 380 V HA 0.568 4.689 4.120 0.000 0.000 0.313 380 V C -0.591 175.522 176.094 0.032 0.000 1.099 380 V CA -1.398 60.810 62.300 -0.153 0.000 0.971 380 V CB 1.977 33.275 31.823 -0.875 0.000 1.028 380 V HN 0.705 nan 8.190 nan 0.000 0.430 381 E N 3.280 123.518 120.200 0.063 0.000 2.360 381 E HA 0.329 4.679 4.350 0.000 0.000 0.269 381 E C -2.532 174.157 176.600 0.149 0.000 1.022 381 E CA -1.645 54.815 56.400 0.100 0.000 0.887 381 E CB 0.878 30.660 29.700 0.137 0.000 0.990 381 E HN 0.612 nan 8.360 nan 0.000 0.426 382 P HA 0.031 nan 4.420 nan 0.000 0.271 382 P C -1.005 176.479 177.300 0.307 0.000 1.226 382 P CA 0.073 63.234 63.100 0.103 0.000 0.765 382 P CB 0.750 32.283 31.700 -0.279 0.000 0.835 383 T N 4.498 119.227 114.554 0.293 0.000 2.823 383 T HA 0.590 4.940 4.350 0.000 0.000 0.279 383 T C 0.157 174.848 174.700 -0.015 0.000 0.998 383 T CA -0.337 61.842 62.100 0.131 0.000 0.994 383 T CB 0.609 69.528 68.868 0.085 0.000 0.960 383 T HN 0.173 nan 8.240 nan 0.000 0.448 384 I N 3.362 123.845 120.570 -0.144 0.000 2.433 384 I HA 0.522 4.692 4.170 0.000 0.000 0.292 384 I C -0.696 175.340 176.117 -0.135 0.000 1.001 384 I CA -0.809 60.358 61.300 -0.222 0.000 1.119 384 I CB 1.671 39.441 38.000 -0.384 0.000 1.289 384 I HN 0.438 nan 8.210 nan 0.000 0.438 385 I N 5.257 125.769 120.570 -0.097 0.000 2.447 385 I HA 0.317 4.487 4.170 0.000 0.000 0.287 385 I C 0.084 176.231 176.117 0.049 0.000 1.023 385 I CA -0.382 60.912 61.300 -0.010 0.000 1.083 385 I CB 2.216 40.244 38.000 0.047 0.000 1.245 385 I HN 0.578 nan 8.210 nan 0.000 0.434 386 T N 0.890 115.472 114.554 0.047 0.000 2.952 386 T HA 0.727 5.077 4.350 0.000 0.000 0.286 386 T C 0.894 175.644 174.700 0.082 0.000 1.024 386 T CA 0.109 62.265 62.100 0.094 0.000 1.029 386 T CB 1.884 70.817 68.868 0.109 0.000 1.094 386 T HN 1.005 nan 8.240 nan 0.000 0.515 387 G N 0.304 109.156 108.800 0.086 0.000 2.234 387 G HA2 -0.192 3.768 3.960 0.000 0.000 0.235 387 G HA3 -0.192 3.768 3.960 0.000 0.000 0.235 387 G C -0.001 174.905 174.900 0.010 0.000 0.997 387 G CA -0.095 45.026 45.100 0.035 0.000 0.623 387 G HN 0.870 nan 8.290 nan 0.000 0.514 388 L N 1.596 122.832 121.223 0.021 0.000 2.461 388 L HA 0.562 4.903 4.340 0.000 0.000 0.272 388 L C 1.391 178.215 176.870 -0.077 0.000 1.197 388 L CA -0.027 54.795 54.840 -0.030 0.000 0.836 388 L CB 0.832 42.878 42.059 -0.021 0.000 1.105 388 L HN 0.427 nan 8.230 nan 0.000 0.477 389 A N 0.737 123.467 122.820 -0.149 0.000 2.445 389 A HA 0.107 4.428 4.320 0.000 0.000 0.242 389 A C 1.029 178.405 177.584 -0.346 0.000 1.075 389 A CA 0.126 52.013 52.037 -0.250 0.000 0.777 389 A CB -0.008 18.807 19.000 -0.307 0.000 1.013 389 A HN 1.001 nan 8.150 nan 0.000 0.493 390 H N 0.282 119.052 119.070 -0.501 0.000 2.426 390 H HA -0.137 4.419 4.556 0.001 0.000 0.298 390 H C 0.413 175.548 175.328 -0.322 0.000 1.107 390 H CA 1.758 57.427 56.048 -0.632 0.000 1.298 390 H CB -0.094 28.673 29.762 -1.659 0.000 1.377 390 H HN 0.609 nan 8.280 nan 0.000 0.519 391 D N 0.463 120.360 120.400 -0.837 0.000 2.463 391 D HA 0.277 4.917 4.640 0.000 0.000 0.224 391 D C 0.277 176.178 176.300 -0.666 0.000 1.174 391 D CA -0.053 53.491 54.000 -0.760 0.000 0.829 391 D CB -0.412 39.957 40.800 -0.719 0.000 0.993 391 D HN 0.624 nan 8.370 nan 0.000 0.497 392 A N 1.746 124.294 122.820 -0.453 0.000 2.548 392 A HA 0.265 4.585 4.320 0.000 0.000 0.247 392 A C -1.152 176.234 177.584 -0.331 0.000 1.067 392 A CA -0.756 51.081 52.037 -0.332 0.000 0.757 392 A CB 0.376 19.229 19.000 -0.246 0.000 0.996 392 A HN 0.003 nan 8.150 nan 0.000 0.504 393 P HA -0.249 nan 4.420 nan 0.000 0.220 393 P C 1.439 178.654 177.300 -0.142 0.000 1.155 393 P CA 1.432 64.411 63.100 -0.201 0.000 0.880 393 P CB 0.050 31.666 31.700 -0.140 0.000 0.790 394 I N -1.017 119.451 120.570 -0.170 0.000 2.286 394 I HA -0.179 3.991 4.170 0.000 0.000 0.248 394 I C 1.908 177.807 176.117 -0.364 0.000 1.115 394 I CA 1.432 62.617 61.300 -0.191 0.000 1.392 394 I CB -0.632 37.271 38.000 -0.162 0.000 1.065 394 I HN -0.235 nan 8.210 nan 0.000 0.418 395 V N 0.142 119.784 119.914 -0.453 0.000 2.427 395 V HA -0.296 3.824 4.120 0.000 0.000 0.248 395 V C 2.271 178.320 176.094 -0.075 0.000 1.051 395 V CA 2.076 64.089 62.300 -0.478 0.000 1.048 395 V CB -1.157 30.499 31.823 -0.279 0.000 0.666 395 V HN 0.518 nan 8.190 nan 0.000 0.456 396 H N -0.590 118.375 119.070 -0.175 0.000 2.547 396 H HA 0.046 4.602 4.556 0.000 0.000 0.272 396 H C 0.538 175.841 175.328 -0.042 0.000 0.989 396 H CA 0.376 56.373 56.048 -0.085 0.000 1.214 396 H CB 0.265 29.976 29.762 -0.085 0.000 1.389 396 H HN 0.398 nan 8.280 nan 0.000 0.577 397 T N 0.954 115.548 114.554 0.066 0.000 2.837 397 T HA 0.055 4.405 4.350 0.000 0.000 0.285 397 T C 0.191 174.966 174.700 0.125 0.000 0.984 397 T CA -0.625 61.522 62.100 0.079 0.000 1.049 397 T CB 2.362 71.267 68.868 0.061 0.000 0.947 397 T HN 0.257 nan 8.240 nan 0.000 0.472 398 E N 2.592 122.885 120.200 0.154 0.000 2.129 398 E HA 0.159 4.509 4.350 0.000 0.000 0.283 398 E C -0.745 176.006 176.600 0.253 0.000 1.080 398 E CA -0.318 56.214 56.400 0.221 0.000 0.867 398 E CB 0.318 30.153 29.700 0.226 0.000 1.056 398 E HN 0.511 nan 8.360 nan 0.000 0.404 399 T N 5.191 119.923 114.554 0.297 0.000 2.758 399 T HA 0.181 4.531 4.350 0.000 0.000 0.285 399 T C -0.220 174.704 174.700 0.372 0.000 0.981 399 T CA -0.521 61.763 62.100 0.308 0.000 0.965 399 T CB 0.308 69.341 68.868 0.276 0.000 0.927 399 T HN 0.326 nan 8.240 nan 0.000 0.448 400 F N 5.586 125.658 119.950 0.204 0.000 2.705 400 F HA 0.380 4.906 4.527 -0.001 0.000 0.355 400 F C 0.333 176.263 175.800 0.217 0.000 1.172 400 F CA -0.822 57.305 58.000 0.213 0.000 1.332 400 F CB -0.766 38.378 39.000 0.240 0.000 1.621 400 F HN 0.387 nan 8.300 nan 0.000 0.605 401 V N -0.442 119.558 119.914 0.143 0.000 3.147 401 V HA 0.593 4.713 4.120 0.000 0.000 0.306 401 V C -2.732 173.449 176.094 0.144 0.000 1.209 401 V CA -2.212 60.184 62.300 0.161 0.000 1.023 401 V CB 1.978 33.995 31.823 0.324 0.000 1.059 401 V HN 0.034 nan 8.190 nan 0.000 0.435 402 P HA 0.415 nan 4.420 nan 0.000 0.230 402 P C -0.557 176.872 177.300 0.215 0.000 1.791 402 P CA 0.311 63.528 63.100 0.195 0.000 1.020 402 P CB -0.501 31.362 31.700 0.271 0.000 1.977 403 I N 2.138 122.756 120.570 0.081 0.000 2.433 403 I HA 0.333 4.503 4.170 0.000 0.000 0.292 403 I C -0.152 175.776 176.117 -0.315 0.000 1.001 403 I CA -1.220 59.999 61.300 -0.134 0.000 1.119 403 I CB 2.327 40.155 38.000 -0.287 0.000 1.289 403 I HN -0.032 nan 8.210 nan 0.000 0.438 404 L N 7.873 128.916 121.223 -0.299 0.000 2.319 404 L HA 0.475 4.816 4.340 0.000 0.000 0.281 404 L C -1.354 175.345 176.870 -0.286 0.000 1.005 404 L CA -0.228 54.475 54.840 -0.227 0.000 0.828 404 L CB 0.633 42.664 42.059 -0.047 0.000 1.227 404 L HN 0.272 nan 8.230 nan 0.000 0.415 405 Y N 4.480 124.817 120.300 0.061 0.000 2.350 405 Y HA 0.495 5.044 4.550 -0.001 0.000 0.340 405 Y C 0.172 176.110 175.900 0.063 0.000 1.006 405 Y CA -0.728 57.404 58.100 0.052 0.000 1.166 405 Y CB 1.146 39.642 38.460 0.061 0.000 1.168 405 Y HN 0.268 nan 8.280 nan 0.000 0.502 406 V N 5.914 125.938 119.914 0.183 0.000 2.370 406 V HA 0.289 4.409 4.120 0.000 0.000 0.279 406 V C -0.361 175.870 176.094 0.228 0.000 1.029 406 V CA -0.640 61.754 62.300 0.157 0.000 0.870 406 V CB 0.905 32.764 31.823 0.059 0.000 0.984 406 V HN 0.459 nan 8.190 nan 0.000 0.451 407 L N 4.942 126.326 121.223 0.269 0.000 2.334 407 L HA 0.574 4.914 4.340 0.000 0.000 0.276 407 L C -0.024 177.096 176.870 0.416 0.000 1.014 407 L CA -0.347 54.680 54.840 0.313 0.000 0.815 407 L CB 1.632 43.898 42.059 0.345 0.000 1.268 407 L HN 0.546 nan 8.230 nan 0.000 0.428 408 K N 3.094 123.703 120.400 0.348 0.000 2.274 408 K HA 0.573 4.893 4.320 0.000 0.000 0.262 408 K C -1.314 175.506 176.600 0.366 0.000 0.961 408 K CA -0.426 55.995 56.287 0.224 0.000 0.833 408 K CB 1.047 33.444 32.500 -0.172 0.000 1.102 408 K HN 0.470 nan 8.250 nan 0.000 0.436 409 F N 1.793 121.780 119.950 0.062 0.000 2.631 409 F HA 0.520 5.047 4.527 -0.000 0.000 0.328 409 F C 0.327 175.987 175.800 -0.234 0.000 1.067 409 F CA -0.897 57.043 58.000 -0.101 0.000 0.969 409 F CB 1.645 40.433 39.000 -0.353 0.000 1.332 409 F HN 0.479 nan 8.300 nan 0.000 0.490 410 K N -0.113 120.215 120.400 -0.120 0.000 2.378 410 K HA 0.201 4.521 4.320 0.000 0.000 0.222 410 K C 0.156 176.858 176.600 0.169 0.000 1.178 410 K CA 0.745 56.927 56.287 -0.175 0.000 0.827 410 K CB 0.262 32.707 32.500 -0.092 0.000 1.412 410 K HN 0.892 nan 8.250 nan 0.000 0.443 411 T N -0.746 113.900 114.554 0.152 0.000 2.913 411 T HA 0.122 4.473 4.350 0.000 0.000 0.287 411 T C 0.951 175.728 174.700 0.129 0.000 1.008 411 T CA -0.550 61.626 62.100 0.126 0.000 1.067 411 T CB 1.732 70.601 68.868 0.001 0.000 0.996 411 T HN 0.350 nan 8.240 nan 0.000 0.513 412 E N 0.816 121.068 120.200 0.087 0.000 2.058 412 E HA -0.264 4.086 4.350 0.000 0.000 0.194 412 E C 1.860 178.190 176.600 -0.450 0.000 0.997 412 E CA 1.539 57.863 56.400 -0.127 0.000 0.801 412 E CB -0.100 29.413 29.700 -0.311 0.000 0.746 412 E HN 0.899 nan 8.360 nan 0.000 0.450 413 E N 0.367 120.391 120.200 -0.293 0.000 2.070 413 E HA -0.280 4.070 4.350 0.000 0.000 0.197 413 E C 2.011 178.471 176.600 -0.233 0.000 1.004 413 E CA 1.604 57.879 56.400 -0.210 0.000 0.805 413 E CB -0.017 29.618 29.700 -0.109 0.000 0.744 413 E HN 0.352 nan 8.360 nan 0.000 0.451 414 E N -0.191 119.798 120.200 -0.351 0.000 2.033 414 E HA -0.256 4.094 4.350 0.000 0.000 0.199 414 E C 2.042 178.013 176.600 -1.048 0.000 1.011 414 E CA 1.173 57.138 56.400 -0.724 0.000 0.815 414 E CB -0.209 29.006 29.700 -0.808 0.000 0.755 414 E HN 0.365 nan 8.360 nan 0.000 0.451 415 A N 0.884 123.163 122.820 -0.901 0.000 1.883 415 A HA -0.203 4.117 4.320 0.000 0.000 0.217 415 A C 1.964 179.482 177.584 -0.110 0.000 1.186 415 A CA 1.427 52.983 52.037 -0.802 0.000 0.624 415 A CB -0.829 17.387 19.000 -1.307 0.000 0.822 415 A HN 0.200 nan 8.150 nan 0.000 0.444 416 F N 0.172 120.010 119.950 -0.187 0.000 2.095 416 F HA -0.157 4.370 4.527 0.000 0.000 0.298 416 F C 2.907 178.737 175.800 0.050 0.000 1.104 416 F CA 0.502 58.545 58.000 0.071 0.000 1.232 416 F CB -1.327 37.753 39.000 0.132 0.000 0.987 416 F HN 0.291 nan 8.300 nan 0.000 0.475 417 A N -0.457 122.462 122.820 0.165 0.000 1.908 417 A HA -0.199 4.121 4.320 0.000 0.000 0.218 417 A C 2.082 179.823 177.584 0.261 0.000 1.181 417 A CA 1.597 53.725 52.037 0.151 0.000 0.627 417 A CB -1.308 17.747 19.000 0.092 0.000 0.818 417 A HN 0.448 nan 8.150 nan 0.000 0.445 418 W N 0.097 121.411 121.300 0.023 0.000 2.388 418 W HA -0.107 4.554 4.660 0.002 0.000 0.294 418 W C 2.069 178.614 176.519 0.044 0.000 1.212 418 W CA 0.709 58.069 57.345 0.025 0.000 1.271 418 W CB -1.471 27.977 29.460 -0.020 0.000 1.126 418 W HN 0.589 nan 8.180 nan 0.000 0.535 419 N N 0.739 119.610 118.700 0.286 0.000 2.104 419 N HA -0.199 4.541 4.740 0.000 0.000 0.190 419 N C 1.280 176.863 175.510 0.123 0.000 1.024 419 N CA 1.960 55.134 53.050 0.207 0.000 0.853 419 N CB -0.397 38.250 38.487 0.268 0.000 1.008 419 N HN -0.099 nan 8.380 nan 0.000 0.424 420 N N 0.143 118.914 118.700 0.118 0.000 2.424 420 N HA -0.077 4.663 4.740 0.000 0.000 0.178 420 N C 1.098 176.631 175.510 0.039 0.000 1.060 420 N CA 0.687 53.769 53.050 0.054 0.000 0.901 420 N CB -0.206 38.312 38.487 0.051 0.000 0.979 420 N HN 0.681 nan 8.380 nan 0.000 0.451 421 E N 0.807 121.053 120.200 0.076 0.000 2.268 421 E HA -0.074 4.276 4.350 0.000 0.000 0.195 421 E C 0.841 177.404 176.600 -0.063 0.000 0.995 421 E CA 0.320 56.761 56.400 0.069 0.000 0.836 421 E CB -0.158 29.660 29.700 0.198 0.000 0.763 421 E HN 0.121 nan 8.360 nan 0.000 0.491 422 V N -1.011 118.783 119.914 -0.200 0.000 3.264 422 V HA 0.030 4.151 4.120 0.000 0.000 0.304 422 V C 1.068 177.056 176.094 -0.177 0.000 1.086 422 V CA -0.385 61.728 62.300 -0.312 0.000 1.090 422 V CB 1.431 33.045 31.823 -0.349 0.000 1.112 422 V HN 0.091 nan 8.190 nan 0.000 0.472 423 Q N -0.214 119.455 119.800 -0.218 0.000 2.331 423 Q HA 0.038 4.378 4.340 0.000 0.000 0.203 423 Q C 0.464 176.351 176.000 -0.189 0.000 0.944 423 Q CA 0.549 56.144 55.803 -0.347 0.000 0.892 423 Q CB 0.097 28.381 28.738 -0.756 0.000 0.983 423 Q HN 0.848 nan 8.270 nan 0.000 0.482 424 Q N -0.745 119.006 119.800 -0.080 0.000 2.443 424 Q HA 0.377 4.717 4.340 0.000 0.000 0.232 424 Q C 0.351 176.349 176.000 -0.003 0.000 1.026 424 Q CA 0.660 56.472 55.803 0.014 0.000 0.924 424 Q CB 0.772 29.534 28.738 0.040 0.000 1.256 424 Q HN 0.246 nan 8.270 nan 0.000 0.519 425 G N -0.030 108.772 108.800 0.003 0.000 5.528 425 G HA2 0.161 4.121 3.960 0.000 0.000 0.194 425 G HA3 0.161 4.121 3.960 0.000 0.000 0.194 425 G C -0.422 174.441 174.900 -0.061 0.000 0.679 425 G CA -0.248 44.833 45.100 -0.032 0.000 0.640 425 G HN 0.414 nan 8.290 nan 0.000 0.397 426 L N 0.399 121.596 121.223 -0.044 0.000 1.995 426 L HA 0.568 4.908 4.340 0.000 0.000 0.206 426 L C 1.105 177.909 176.870 -0.110 0.000 1.098 426 L CA 1.581 56.362 54.840 -0.098 0.000 0.762 426 L CB -0.180 41.849 42.059 -0.049 0.000 0.900 426 L HN 0.182 nan 8.230 nan 0.000 0.441 427 S N -1.452 114.232 115.700 -0.028 0.000 2.600 427 S HA 0.776 5.246 4.470 0.000 0.000 0.300 427 S C -0.936 173.709 174.600 0.074 0.000 1.087 427 S CA -0.072 58.132 58.200 0.007 0.000 0.965 427 S CB 1.080 64.315 63.200 0.060 0.000 1.089 427 S HN 0.648 nan 8.310 nan 0.000 0.496 428 S N 1.433 117.205 115.700 0.119 0.000 2.543 428 S HA 0.747 5.217 4.470 0.000 0.000 0.274 428 S C -1.362 173.470 174.600 0.386 0.000 1.149 428 S CA -0.745 57.614 58.200 0.266 0.000 0.866 428 S CB 1.383 64.753 63.200 0.283 0.000 1.111 428 S HN 0.561 nan 8.310 nan 0.000 0.457 429 S N 1.249 117.181 115.700 0.386 0.000 2.540 429 S HA 0.738 5.208 4.470 0.000 0.000 0.275 429 S C -0.624 173.961 174.600 -0.024 0.000 1.123 429 S CA -0.885 57.462 58.200 0.245 0.000 0.907 429 S CB 1.099 64.435 63.200 0.227 0.000 1.081 429 S HN 1.025 nan 8.310 nan 0.000 0.476 430 I N -0.962 119.408 120.570 -0.334 0.000 2.603 430 I HA 0.763 4.933 4.170 0.000 0.000 0.300 430 I C -1.582 174.447 176.117 -0.148 0.000 1.017 430 I CA -0.845 60.267 61.300 -0.314 0.000 1.098 430 I CB 1.246 38.832 38.000 -0.691 0.000 1.279 430 I HN 0.391 nan 8.210 nan 0.000 0.437 431 F N 3.136 123.112 119.950 0.043 0.000 2.402 431 F HA 0.721 5.249 4.527 0.000 0.000 0.355 431 F C 0.389 176.272 175.800 0.138 0.000 1.123 431 F CA -0.320 57.724 58.000 0.074 0.000 1.021 431 F CB 1.913 40.958 39.000 0.074 0.000 1.160 431 F HN 0.679 nan 8.300 nan 0.000 0.451 432 T N 2.021 116.661 114.554 0.144 0.000 2.786 432 T HA 0.302 4.652 4.350 0.000 0.000 0.316 432 T C -0.004 174.707 174.700 0.019 0.000 1.503 432 T CA -0.636 61.510 62.100 0.078 0.000 1.019 432 T CB 1.637 70.454 68.868 -0.085 0.000 1.415 432 T HN 0.640 nan 8.240 nan 0.000 0.496 433 K N 0.598 121.003 120.400 0.008 0.000 2.358 433 K HA 0.200 4.520 4.320 0.000 0.000 0.200 433 K C -0.047 176.546 176.600 -0.013 0.000 1.030 433 K CA -0.224 56.066 56.287 0.004 0.000 1.097 433 K CB 0.476 32.987 32.500 0.020 0.000 0.862 433 K HN 0.443 nan 8.250 nan 0.000 0.534 434 D N 1.596 121.968 120.400 -0.047 0.000 2.336 434 D HA -0.031 4.609 4.640 0.000 0.000 0.249 434 D C 1.008 177.303 176.300 -0.009 0.000 1.213 434 D CA -0.111 53.860 54.000 -0.048 0.000 0.870 434 D CB 1.177 41.910 40.800 -0.112 0.000 1.076 434 D HN -0.047 nan 8.370 nan 0.000 0.483 435 L N 5.538 126.785 121.223 0.039 0.000 2.013 435 L HA -0.087 4.253 4.340 0.000 0.000 0.212 435 L C 2.190 179.176 176.870 0.193 0.000 1.073 435 L CA 2.565 57.479 54.840 0.124 0.000 0.753 435 L CB -0.789 41.337 42.059 0.112 0.000 0.890 435 L HN 0.593 nan 8.230 nan 0.000 0.432 436 G N -1.229 107.636 108.800 0.109 0.000 2.418 436 G HA2 -0.312 3.648 3.960 0.000 0.000 0.217 436 G HA3 -0.312 3.648 3.960 0.000 0.000 0.217 436 G C 1.802 176.778 174.900 0.126 0.000 1.158 436 G CA 0.772 45.941 45.100 0.116 0.000 0.771 436 G HN 0.426 nan 8.290 nan 0.000 0.545 437 R N -0.129 120.392 120.500 0.035 0.000 2.081 437 R HA -0.046 4.295 4.340 0.000 0.000 0.235 437 R C 2.653 179.022 176.300 0.115 0.000 1.131 437 R CA 1.376 57.480 56.100 0.005 0.000 0.960 437 R CB -0.396 29.764 30.300 -0.233 0.000 0.856 437 R HN 0.243 nan 8.270 nan 0.000 0.436 438 V N 0.505 120.452 119.914 0.054 0.000 2.252 438 V HA -0.277 3.843 4.120 0.000 0.000 0.249 438 V C 1.976 178.055 176.094 -0.026 0.000 1.056 438 V CA 2.024 64.314 62.300 -0.015 0.000 1.022 438 V CB -0.539 31.188 31.823 -0.160 0.000 0.641 438 V HN 0.281 nan 8.190 nan 0.000 0.445 439 F N -0.308 119.699 119.950 0.094 0.000 2.367 439 F HA 0.009 4.537 4.527 0.001 0.000 0.298 439 F C 2.521 178.376 175.800 0.092 0.000 1.094 439 F CA 0.958 59.002 58.000 0.072 0.000 1.409 439 F CB -0.344 38.678 39.000 0.038 0.000 1.064 439 F HN -0.046 nan 8.300 nan 0.000 0.528 440 R N -0.430 120.247 120.500 0.295 0.000 2.075 440 R HA -0.219 4.121 4.340 0.000 0.000 0.232 440 R C 2.267 178.746 176.300 0.299 0.000 1.126 440 R CA 1.566 57.837 56.100 0.284 0.000 0.963 440 R CB -0.880 29.603 30.300 0.305 0.000 0.858 440 R HN 0.496 nan 8.270 nan 0.000 0.435 441 W N 1.044 122.387 121.300 0.072 0.000 2.342 441 W HA -0.214 4.446 4.660 -0.000 0.000 0.297 441 W C 1.063 177.459 176.519 -0.206 0.000 1.213 441 W CA 0.866 58.074 57.345 -0.229 0.000 1.251 441 W CB 0.076 29.416 29.460 -0.201 0.000 1.136 441 W HN 0.081 nan 8.180 nan 0.000 0.526 442 L N 0.718 121.869 121.223 -0.120 0.000 2.240 442 L HA 0.164 4.504 4.340 0.000 0.000 0.211 442 L C 1.962 178.746 176.870 -0.144 0.000 1.106 442 L CA 1.477 56.184 54.840 -0.222 0.000 0.793 442 L CB -1.395 40.573 42.059 -0.150 0.000 0.927 442 L HN -0.139 nan 8.230 nan 0.000 0.446 443 G N -0.821 107.955 108.800 -0.040 0.000 2.508 443 G HA2 0.237 4.198 3.960 0.000 0.000 0.278 443 G HA3 0.237 4.198 3.960 0.000 0.000 0.278 443 G C -1.545 173.324 174.900 -0.053 0.000 1.389 443 G CA -0.191 44.903 45.100 -0.010 0.000 1.050 443 G HN 0.105 nan 8.290 nan 0.000 0.522 444 P HA 0.019 nan 4.420 nan 0.000 0.223 444 P C 0.664 177.957 177.300 -0.012 0.000 1.151 444 P CA 0.985 64.069 63.100 -0.027 0.000 0.787 444 P CB 0.334 32.030 31.700 -0.006 0.000 0.788 445 K N -0.150 120.267 120.400 0.028 0.000 2.514 445 K HA 0.328 4.648 4.320 0.000 0.000 0.207 445 K C 1.183 177.862 176.600 0.131 0.000 1.035 445 K CA -0.046 56.288 56.287 0.079 0.000 1.113 445 K CB 0.849 33.417 32.500 0.113 0.000 0.846 445 K HN 0.106 nan 8.250 nan 0.000 0.491 446 G N 0.615 109.397 108.800 -0.029 0.000 2.945 446 G HA2 0.077 4.037 3.960 0.000 0.000 0.156 446 G HA3 0.077 4.037 3.960 0.000 0.000 0.156 446 G C -0.404 174.213 174.900 -0.472 0.000 1.375 446 G CA -0.306 44.636 45.100 -0.263 0.000 1.039 446 G HN 0.123 nan 8.290 nan 0.000 0.586 447 S N 0.052 115.154 115.700 -0.997 0.000 2.568 447 S HA 0.157 4.627 4.470 0.000 0.000 0.282 447 S C 0.602 174.898 174.600 -0.506 0.000 1.338 447 S CA 0.419 58.048 58.200 -0.952 0.000 1.045 447 S CB 0.698 62.890 63.200 -1.680 0.000 0.873 447 S HN 0.565 nan 8.310 nan 0.000 0.516 448 D N 2.219 122.431 120.400 -0.312 0.000 2.424 448 D HA 0.181 4.821 4.640 0.000 0.000 0.220 448 D C 0.206 176.395 176.300 -0.185 0.000 1.150 448 D CA -0.321 53.558 54.000 -0.203 0.000 0.831 448 D CB -0.871 39.860 40.800 -0.115 0.000 0.981 448 D HN 0.271 nan 8.370 nan 0.000 0.500 449 C N -0.385 118.773 119.300 -0.236 0.000 2.347 449 C HA 0.688 5.148 4.460 0.000 0.000 0.366 449 C C 2.231 177.098 174.990 -0.205 0.000 1.241 449 C CA -0.163 58.742 59.018 -0.189 0.000 2.360 449 C CB 1.129 28.769 27.740 -0.166 0.000 2.290 449 C HN 0.476 nan 8.230 nan 0.000 0.587 450 G N 0.568 109.251 108.800 -0.195 0.000 2.430 450 G HA2 0.087 4.047 3.960 0.000 0.000 0.216 450 G HA3 0.087 4.047 3.960 0.000 0.000 0.216 450 G C 0.435 175.197 174.900 -0.229 0.000 1.146 450 G CA 0.774 45.742 45.100 -0.220 0.000 0.793 450 G HN 0.591 nan 8.290 nan 0.000 0.537 451 I N 1.456 121.897 120.570 -0.215 0.000 2.362 451 I HA 0.403 4.573 4.170 0.000 0.000 0.289 451 I C -0.899 175.139 176.117 -0.132 0.000 0.994 451 I CA -1.097 60.108 61.300 -0.160 0.000 1.158 451 I CB 1.511 39.435 38.000 -0.126 0.000 1.315 451 I HN -0.263 nan 8.210 nan 0.000 0.451 452 V N 6.592 126.420 119.914 -0.143 0.000 2.385 452 V HA 0.388 4.508 4.120 0.000 0.000 0.277 452 V C -0.174 175.916 176.094 -0.007 0.000 1.012 452 V CA -0.653 61.535 62.300 -0.187 0.000 0.832 452 V CB 1.252 32.789 31.823 -0.476 0.000 1.028 452 V HN 0.646 nan 8.190 nan 0.000 0.436 453 N N 2.413 121.222 118.700 0.181 0.000 2.443 453 N HA 0.737 5.477 4.740 0.000 0.000 0.293 453 N C -0.828 174.769 175.510 0.146 0.000 1.159 453 N CA -0.419 52.705 53.050 0.123 0.000 0.904 453 N CB 2.570 41.095 38.487 0.064 0.000 1.214 453 N HN 0.319 nan 8.380 nan 0.000 0.513 454 V N 2.359 122.248 119.914 -0.042 0.000 2.525 454 V HA 0.299 4.419 4.120 0.000 0.000 0.299 454 V C -0.025 175.859 176.094 -0.351 0.000 1.034 454 V CA -0.771 61.421 62.300 -0.180 0.000 0.863 454 V CB 1.198 32.957 31.823 -0.108 0.000 0.999 454 V HN 0.702 nan 8.190 nan 0.000 0.423 455 N N 2.265 120.518 118.700 -0.744 0.000 2.753 455 N HA -0.210 4.530 4.740 0.000 0.000 0.251 455 N C -0.487 174.650 175.510 -0.621 0.000 1.097 455 N CA 1.483 53.965 53.050 -0.946 0.000 0.786 455 N CB -0.616 37.683 38.487 -0.313 0.000 1.137 455 N HN 0.760 nan 8.380 nan 0.000 0.566 456 I N -0.749 119.523 120.570 -0.497 0.000 2.686 456 I HA 0.454 4.624 4.170 0.000 0.000 0.295 456 I C -2.348 173.805 176.117 0.059 0.000 1.114 456 I CA -2.043 59.214 61.300 -0.071 0.000 1.038 456 I CB 2.472 40.467 38.000 -0.007 0.000 1.238 456 I HN -0.283 nan 8.210 nan 0.000 0.420 457 P HA 0.107 nan 4.420 nan 0.000 0.285 457 P C 0.456 177.892 177.300 0.228 0.000 1.282 457 P CA 0.109 63.415 63.100 0.344 0.000 0.778 457 P CB 0.201 32.085 31.700 0.308 0.000 1.222 458 T N -4.587 110.102 114.554 0.225 0.000 3.085 458 T HA -0.045 4.305 4.350 0.000 0.000 0.263 458 T C 1.177 175.986 174.700 0.181 0.000 1.127 458 T CA 1.081 63.295 62.100 0.190 0.000 1.103 458 T CB -1.027 67.954 68.868 0.189 0.000 0.921 458 T HN 0.375 nan 8.240 nan 0.000 0.510 459 S N 0.447 116.259 115.700 0.188 0.000 2.557 459 S HA 0.397 4.867 4.470 0.000 0.000 0.223 459 S C 1.220 175.917 174.600 0.163 0.000 0.969 459 S CA -0.438 57.875 58.200 0.189 0.000 0.927 459 S CB 0.020 63.336 63.200 0.192 0.000 0.806 459 S HN 0.617 nan 8.310 nan 0.000 0.489 460 G N 1.416 110.304 108.800 0.145 0.000 2.428 460 G HA2 0.548 4.508 3.960 0.000 0.000 0.293 460 G HA3 0.548 4.508 3.960 0.000 0.000 0.293 460 G C -0.289 174.672 174.900 0.102 0.000 1.059 460 G CA 0.040 45.207 45.100 0.111 0.000 1.194 460 G HN 0.710 nan 8.290 nan 0.000 0.435 461 A N 3.254 126.133 122.820 0.097 0.000 2.540 461 A HA 0.764 5.084 4.320 0.000 0.000 0.297 461 A C -0.433 177.175 177.584 0.039 0.000 1.056 461 A CA -0.884 51.208 52.037 0.091 0.000 0.700 461 A CB 1.469 20.593 19.000 0.207 0.000 1.280 461 A HN 0.768 nan 8.150 nan 0.000 0.398 462 E N 1.835 122.034 120.200 -0.002 0.000 2.359 462 E HA 0.620 4.970 4.350 0.000 0.000 0.266 462 E C -0.053 176.480 176.600 -0.112 0.000 0.920 462 E CA -0.938 55.443 56.400 -0.032 0.000 0.788 462 E CB 1.386 31.070 29.700 -0.027 0.000 1.279 462 E HN 0.331 nan 8.360 nan 0.000 0.438 463 I N 1.446 121.939 120.570 -0.128 0.000 2.194 463 I HA -0.259 3.911 4.170 0.000 0.000 0.246 463 I C 2.282 178.117 176.117 -0.470 0.000 1.093 463 I CA 2.256 63.393 61.300 -0.271 0.000 1.355 463 I CB -0.447 37.431 38.000 -0.204 0.000 1.046 463 I HN 0.901 nan 8.210 nan 0.000 0.413 464 G N -0.032 108.550 108.800 -0.362 0.000 2.462 464 G HA2 -0.089 3.871 3.960 0.000 0.000 0.220 464 G HA3 -0.089 3.871 3.960 0.000 0.000 0.220 464 G C 0.909 175.693 174.900 -0.194 0.000 1.121 464 G CA 0.787 45.697 45.100 -0.318 0.000 0.758 464 G HN 0.503 nan 8.290 nan 0.000 0.559 465 G N -0.919 107.785 108.800 -0.161 0.000 2.434 465 G HA2 0.608 4.569 3.960 0.000 0.000 0.330 465 G HA3 0.608 4.569 3.960 0.000 0.000 0.330 465 G C -0.132 174.695 174.900 -0.122 0.000 1.155 465 G CA 0.030 45.068 45.100 -0.104 0.000 0.917 465 G HN 0.497 nan 8.290 nan 0.000 0.493 466 A N 0.182 122.947 122.820 -0.092 0.000 2.477 466 A HA 0.500 4.820 4.320 0.000 0.000 0.246 466 A C -0.828 176.697 177.584 -0.098 0.000 1.078 466 A CA -0.084 51.894 52.037 -0.098 0.000 0.770 466 A CB 0.075 19.019 19.000 -0.094 0.000 1.011 466 A HN 0.801 nan 8.150 nan 0.000 0.494 467 F N 2.303 122.077 119.950 -0.293 0.000 2.467 467 F HA 0.652 5.179 4.527 -0.000 0.000 0.336 467 F C 0.449 176.110 175.800 -0.231 0.000 1.123 467 F CA 0.855 58.665 58.000 -0.316 0.000 0.964 467 F CB 1.528 40.199 39.000 -0.548 0.000 1.136 467 F HN 1.057 nan 8.300 nan 0.000 0.447 468 G N 2.639 110.908 108.800 -0.885 0.000 2.337 468 G HA2 0.442 4.403 3.960 0.000 0.000 0.298 468 G HA3 0.442 4.403 3.960 0.000 0.000 0.298 468 G C -1.487 173.141 174.900 -0.454 0.000 1.335 468 G CA -0.248 44.504 45.100 -0.580 0.000 0.875 468 G HN 1.100 nan 8.290 nan 0.000 0.579 469 G N -1.503 107.135 108.800 -0.271 0.000 3.140 469 G HA2 0.752 4.712 3.960 0.000 0.000 0.271 469 G HA3 0.752 4.712 3.960 0.000 0.000 0.271 469 G C -1.126 173.702 174.900 -0.121 0.000 1.370 469 G CA -0.336 44.650 45.100 -0.191 0.000 1.014 469 G HN 0.566 nan 8.290 nan 0.000 0.541 470 E N -0.567 119.580 120.200 -0.089 0.000 2.412 470 E HA 0.427 4.778 4.350 0.000 0.000 0.255 470 E C 0.134 176.726 176.600 -0.012 0.000 0.933 470 E CA -0.669 55.696 56.400 -0.059 0.000 0.823 470 E CB 1.587 31.242 29.700 -0.074 0.000 1.352 470 E HN 0.613 nan 8.360 nan 0.000 0.406 471 K N -0.300 120.106 120.400 0.010 0.000 1.824 471 K HA -0.298 4.022 4.320 0.000 0.000 0.120 471 K C 1.240 177.922 176.600 0.138 0.000 1.268 471 K CA 1.751 58.086 56.287 0.080 0.000 0.420 471 K CB -1.122 31.418 32.500 0.066 0.000 0.586 471 K HN 0.491 nan 8.250 nan 0.000 0.907 472 H N 0.671 119.733 119.070 -0.013 0.000 2.561 472 H HA 0.028 4.584 4.556 -0.000 0.000 0.278 472 H C 1.599 176.930 175.328 0.004 0.000 1.014 472 H CA 1.598 57.645 56.048 -0.001 0.000 1.211 472 H CB -0.157 29.613 29.762 0.014 0.000 1.365 472 H HN 0.396 nan 8.280 nan 0.000 0.594 473 T N -1.804 112.807 114.554 0.095 0.000 3.055 473 T HA 0.114 4.464 4.350 0.000 0.000 0.265 473 T C 1.802 176.514 174.700 0.019 0.000 1.111 473 T CA 0.990 63.118 62.100 0.048 0.000 1.118 473 T CB 0.045 68.916 68.868 0.004 0.000 0.909 473 T HN 0.636 nan 8.240 nan 0.000 0.501 474 G N 0.076 108.875 108.800 -0.002 0.000 2.201 474 G HA2 0.030 3.990 3.960 0.000 0.000 0.212 474 G HA3 0.030 3.990 3.960 0.000 0.000 0.212 474 G C 1.047 175.927 174.900 -0.034 0.000 0.994 474 G CA 0.235 45.322 45.100 -0.022 0.000 0.644 474 G HN 1.145 nan 8.290 nan 0.000 0.508 475 G N -0.631 108.142 108.800 -0.045 0.000 2.320 475 G HA2 0.155 4.115 3.960 0.000 0.000 0.242 475 G HA3 0.155 4.115 3.960 0.000 0.000 0.242 475 G C 1.688 176.548 174.900 -0.067 0.000 1.033 475 G CA 1.121 46.185 45.100 -0.059 0.000 0.620 475 G HN 2.177 nan 8.290 nan 0.000 0.517 476 G N 0.189 108.958 108.800 -0.052 0.000 2.630 476 G HA2 0.459 4.419 3.960 0.000 0.000 0.236 476 G HA3 0.459 4.419 3.960 0.000 0.000 0.236 476 G C 0.000 174.861 174.900 -0.066 0.000 1.248 476 G CA 0.087 45.156 45.100 -0.052 0.000 0.844 476 G HN 0.459 nan 8.290 nan 0.000 0.588 477 R N 0.512 120.977 120.500 -0.059 0.000 2.686 477 R HA 0.430 4.771 4.340 0.000 0.000 0.283 477 R C -0.624 175.678 176.300 0.003 0.000 0.978 477 R CA -0.634 55.432 56.100 -0.056 0.000 0.897 477 R CB 2.329 32.579 30.300 -0.083 0.000 1.192 477 R HN 0.730 nan 8.270 nan 0.000 0.457 478 E N 0.166 120.357 120.200 -0.015 0.000 2.312 478 E HA 0.393 4.744 4.350 0.000 0.000 0.267 478 E C -0.148 176.316 176.600 -0.228 0.000 0.894 478 E CA -0.624 55.744 56.400 -0.054 0.000 0.773 478 E CB 2.350 31.987 29.700 -0.104 0.000 1.241 478 E HN 0.631 nan 8.360 nan 0.000 0.432 479 S N 0.523 116.106 115.700 -0.194 0.000 4.158 479 S HA -0.218 4.252 4.470 0.000 0.000 0.578 479 S C 0.908 175.475 174.600 -0.055 0.000 1.866 479 S CA 1.273 59.333 58.200 -0.232 0.000 4.250 479 S CB -1.689 61.129 63.200 -0.636 0.000 0.204 479 S HN 0.850 nan 8.310 nan 0.000 0.455 480 G N 0.539 109.238 108.800 -0.168 0.000 2.553 480 G HA2 0.511 4.472 3.960 0.000 0.000 0.278 480 G HA3 0.511 4.472 3.960 0.000 0.000 0.278 480 G C 0.547 175.488 174.900 0.069 0.000 1.349 480 G CA 1.003 46.054 45.100 -0.082 0.000 1.037 480 G HN 1.910 nan 8.290 nan 0.000 0.508 481 S N -0.870 114.899 115.700 0.114 0.000 3.711 481 S HA -0.317 4.153 4.470 0.000 0.000 0.625 481 S C 0.944 175.617 174.600 0.123 0.000 2.458 481 S CA 2.088 60.345 58.200 0.094 0.000 4.059 481 S CB -1.341 61.859 63.200 0.001 0.000 0.257 481 S HN 1.343 nan 8.310 nan 0.000 0.974 482 D N 0.700 121.078 120.400 -0.037 0.000 2.706 482 D HA 0.411 5.051 4.640 0.000 0.000 0.236 482 D C 1.119 177.147 176.300 -0.454 0.000 1.231 482 D CA 0.623 54.444 54.000 -0.299 0.000 0.828 482 D CB -0.259 40.294 40.800 -0.411 0.000 1.015 482 D HN 0.250 nan 8.370 nan 0.000 0.484 483 S N 0.387 116.006 115.700 -0.135 0.000 2.400 483 S HA -0.136 4.334 4.470 0.000 0.000 0.232 483 S C 1.577 176.201 174.600 0.040 0.000 1.025 483 S CA 1.085 59.259 58.200 -0.044 0.000 0.993 483 S CB -0.561 62.684 63.200 0.074 0.000 0.808 483 S HN 0.729 nan 8.310 nan 0.000 0.478 484 W N 2.297 123.646 121.300 0.082 0.000 2.331 484 W HA -0.141 4.520 4.660 0.000 0.000 0.291 484 W C 1.127 177.715 176.519 0.113 0.000 1.214 484 W CA 0.929 58.341 57.345 0.113 0.000 1.228 484 W CB -0.873 28.548 29.460 -0.066 0.000 1.135 484 W HN 0.273 nan 8.180 nan 0.000 0.537 485 K N 0.967 120.868 120.400 -0.831 0.000 2.211 485 K HA -0.201 4.120 4.320 0.000 0.000 0.204 485 K C 2.144 178.659 176.600 -0.142 0.000 1.047 485 K CA 1.999 57.751 56.287 -0.892 0.000 0.935 485 K CB -0.319 31.427 32.500 -1.257 0.000 0.728 485 K HN 0.336 nan 8.250 nan 0.000 0.452 486 Q N -0.753 118.993 119.800 -0.090 0.000 2.369 486 Q HA -0.104 4.236 4.340 0.000 0.000 0.206 486 Q C 0.654 176.569 176.000 -0.141 0.000 0.963 486 Q CA 1.015 56.738 55.803 -0.133 0.000 0.894 486 Q CB 0.153 28.718 28.738 -0.288 0.000 0.965 486 Q HN 0.431 nan 8.270 nan 0.000 0.475 487 Y N -0.828 119.544 120.300 0.119 0.000 2.468 487 Y HA 0.269 4.819 4.550 0.000 0.000 0.268 487 Y C 0.483 176.527 175.900 0.240 0.000 1.177 487 Y CA 0.017 58.219 58.100 0.170 0.000 1.265 487 Y CB 0.445 39.013 38.460 0.181 0.000 1.103 487 Y HN -0.002 nan 8.280 nan 0.000 0.522 488 M N 0.078 119.927 119.600 0.414 0.000 2.631 488 M HA 0.444 4.924 4.480 0.000 0.000 0.288 488 M C -0.854 175.726 176.300 0.466 0.000 1.260 488 M CA -1.015 54.583 55.300 0.495 0.000 0.842 488 M CB 3.073 36.102 32.600 0.715 0.000 1.743 488 M HN -0.049 nan 8.290 nan 0.000 0.461 489 R N 0.874 121.583 120.500 0.350 0.000 2.393 489 R HA 0.636 4.976 4.340 0.000 0.000 0.310 489 R C -0.784 175.430 176.300 -0.143 0.000 0.968 489 R CA -0.891 55.286 56.100 0.127 0.000 0.867 489 R CB 1.933 32.267 30.300 0.056 0.000 1.124 489 R HN 0.658 nan 8.270 nan 0.000 0.450 490 R N 2.081 122.245 120.500 -0.560 0.000 2.390 490 R HA 0.158 4.498 4.340 0.000 0.000 0.291 490 R C -0.955 175.037 176.300 -0.513 0.000 1.070 490 R CA -0.112 55.329 56.100 -1.099 0.000 1.014 490 R CB 0.982 30.559 30.300 -1.205 0.000 1.007 490 R HN 0.947 nan 8.270 nan 0.000 0.466 491 S N 1.810 117.238 115.700 -0.453 0.000 2.594 491 S HA 0.284 4.754 4.470 0.000 0.000 0.296 491 S C -0.781 173.700 174.600 -0.199 0.000 1.124 491 S CA -0.837 57.218 58.200 -0.241 0.000 1.011 491 S CB 2.019 65.134 63.200 -0.142 0.000 1.016 491 S HN 0.503 nan 8.310 nan 0.000 0.485 492 T N 3.137 117.609 114.554 -0.137 0.000 2.727 492 T HA 0.414 4.765 4.350 0.000 0.000 0.298 492 T C -0.345 174.327 174.700 -0.047 0.000 0.942 492 T CA -0.363 61.687 62.100 -0.084 0.000 0.997 492 T CB -0.562 68.267 68.868 -0.065 0.000 0.917 492 T HN 0.804 nan 8.240 nan 0.000 0.487 493 C N 3.945 123.228 119.300 -0.028 0.000 2.298 493 C HA 0.609 5.069 4.460 0.000 0.000 0.323 493 C C 0.777 175.779 174.990 0.020 0.000 1.284 493 C CA -0.969 58.044 59.018 -0.007 0.000 1.577 493 C CB 0.317 28.052 27.740 -0.008 0.000 2.249 493 C HN 0.792 nan 8.230 nan 0.000 0.497 494 T N 4.366 118.938 114.554 0.030 0.000 2.758 494 T HA 0.545 4.895 4.350 0.000 0.000 0.285 494 T C -0.255 174.479 174.700 0.055 0.000 0.981 494 T CA -0.033 62.105 62.100 0.064 0.000 0.965 494 T CB 0.401 69.320 68.868 0.085 0.000 0.927 494 T HN 0.476 nan 8.240 nan 0.000 0.448 495 I N 3.785 124.394 120.570 0.066 0.000 2.354 495 I HA 0.325 4.495 4.170 0.000 0.000 0.286 495 I C 0.099 176.184 176.117 -0.054 0.000 1.007 495 I CA -0.940 60.382 61.300 0.035 0.000 1.167 495 I CB 1.144 39.187 38.000 0.072 0.000 1.320 495 I HN 0.449 nan 8.210 nan 0.000 0.458 496 N N 6.056 124.612 118.700 -0.239 0.000 2.408 496 N HA 0.107 4.848 4.740 0.000 0.000 0.257 496 N C -0.086 175.247 175.510 -0.295 0.000 1.064 496 N CA -0.227 52.443 53.050 -0.633 0.000 0.952 496 N CB 0.462 38.576 38.487 -0.622 0.000 1.093 496 N HN 0.531 nan 8.380 nan 0.000 0.490 497 Y N 1.179 121.323 120.300 -0.260 0.000 2.500 497 Y HA 0.424 4.974 4.550 0.000 0.000 0.246 497 Y C 0.518 176.356 175.900 -0.103 0.000 1.146 497 Y CA -0.861 57.158 58.100 -0.136 0.000 1.230 497 Y CB -0.738 37.668 38.460 -0.090 0.000 1.214 497 Y HN 0.332 nan 8.280 nan 0.000 0.526 498 S N 0.748 116.206 115.700 -0.404 0.000 2.645 498 S HA 0.301 4.771 4.470 0.000 0.000 0.266 498 S C 0.513 175.046 174.600 -0.111 0.000 1.258 498 S CA -0.717 57.344 58.200 -0.232 0.000 0.990 498 S CB 1.569 64.603 63.200 -0.276 0.000 0.967 498 S HN 0.385 nan 8.310 nan 0.000 0.556 499 K N 0.093 120.457 120.400 -0.060 0.000 2.404 499 K HA 0.180 4.500 4.320 0.000 0.000 0.194 499 K C -0.435 176.140 176.600 -0.042 0.000 1.023 499 K CA -0.051 56.211 56.287 -0.041 0.000 1.094 499 K CB -0.031 32.457 32.500 -0.020 0.000 0.841 499 K HN 0.583 nan 8.250 nan 0.000 0.523 500 D N 1.627 121.998 120.400 -0.047 0.000 2.488 500 D HA -0.024 4.617 4.640 0.000 0.000 0.238 500 D C 0.008 176.288 176.300 -0.033 0.000 1.138 500 D CA 0.748 54.729 54.000 -0.031 0.000 0.873 500 D CB 0.862 41.652 40.800 -0.017 0.000 1.183 500 D HN 0.051 nan 8.370 nan 0.000 0.458 501 L N 3.192 124.396 121.223 -0.032 0.000 2.334 501 L HA 0.404 4.744 4.340 0.000 0.000 0.272 501 L C -1.709 175.138 176.870 -0.038 0.000 1.020 501 L CA -1.741 53.072 54.840 -0.046 0.000 0.812 501 L CB 1.099 43.125 42.059 -0.056 0.000 1.264 501 L HN 0.248 nan 8.230 nan 0.000 0.439 502 P HA 0.240 nan 4.420 nan 0.000 0.274 502 P C -0.738 176.550 177.300 -0.020 0.000 1.231 502 P CA -0.565 62.514 63.100 -0.035 0.000 0.790 502 P CB 0.726 32.398 31.700 -0.048 0.000 0.951 503 L N 1.198 122.421 121.223 0.001 0.000 2.578 503 L HA -0.005 4.335 4.340 0.000 0.000 0.279 503 L C 1.831 178.737 176.870 0.061 0.000 1.227 503 L CA -0.131 54.723 54.840 0.024 0.000 0.900 503 L CB -0.057 42.013 42.059 0.019 0.000 1.144 503 L HN 0.514 nan 8.230 nan 0.000 0.496 504 A N 3.249 126.130 122.820 0.101 0.000 2.066 504 A HA -0.118 4.202 4.320 0.000 0.000 0.218 504 A C 1.172 178.850 177.584 0.157 0.000 1.157 504 A CA 0.773 52.937 52.037 0.212 0.000 0.670 504 A CB -0.514 18.628 19.000 0.237 0.000 0.804 504 A HN 0.967 nan 8.150 nan 0.000 0.453 505 Q N -2.417 117.433 119.800 0.084 0.000 2.417 505 Q HA -0.183 4.157 4.340 0.000 0.000 0.350 505 Q C 0.745 176.766 176.000 0.035 0.000 1.364 505 Q CA 0.831 56.664 55.803 0.050 0.000 1.024 505 Q CB -2.576 26.188 28.738 0.043 0.000 1.235 505 Q HN 1.833 nan 8.270 nan 0.000 0.388 506 G N -0.409 108.405 108.800 0.023 0.000 2.234 506 G HA2 -0.290 3.670 3.960 0.000 0.000 0.235 506 G HA3 -0.290 3.670 3.960 0.000 0.000 0.235 506 G C 0.227 175.100 174.900 -0.045 0.000 0.997 506 G CA 0.001 45.096 45.100 -0.007 0.000 0.623 506 G HN 0.557 nan 8.290 nan 0.000 0.514 507 I N 1.686 122.219 120.570 -0.062 0.000 2.365 507 I HA 0.345 4.515 4.170 0.000 0.000 0.291 507 I C 0.347 176.276 176.117 -0.313 0.000 1.004 507 I CA -0.736 60.423 61.300 -0.235 0.000 1.311 507 I CB 1.287 39.074 38.000 -0.355 0.000 1.401 507 I HN -0.165 nan 8.210 nan 0.000 0.491 508 K N 6.105 126.296 120.400 -0.349 0.000 2.234 508 K HA 0.474 4.794 4.320 0.000 0.000 0.282 508 K C -0.851 175.483 176.600 -0.442 0.000 1.039 508 K CA -0.099 56.041 56.287 -0.246 0.000 0.928 508 K CB 1.102 33.521 32.500 -0.134 0.000 1.039 508 K HN 0.291 nan 8.250 nan 0.000 0.470 509 F N 0.000 119.948 119.950 -0.003 0.000 2.286 509 F HA 0.000 4.527 4.527 0.000 0.000 0.279 509 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 509 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 509 F HN 0.000 nan 8.300 nan 0.000 0.574