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 1uws_1_B DATA FIRST_RESID 1 DATA SEQUENCE MYSFPNSFRF GWSQAGFQSE MGTPGSEDPN TDWYKWVHDP ENMAAGLVSG DATA SEQUENCE DLPENGPGYW GNYKTFHDNA QKMGLKIARL NVEWSRIFPN PLPRPXXFDE DATA SEQUENCE SKQDVTEVEI NENELKRLDE YANKDALNHY REIFKDLKSR GLYFILNMYH DATA SEQUENCE WPLPLWLHDP IRVRRGDFTG PSGWLSTRTV YEFARFSAYI AWKFDDLVDE DATA SEQUENCE YSTMNEPNVV GGLGYVGVKS GFPPGYLSFE LSRRAMYNII QAHARAYDGI DATA SEQUENCE KSVSKKPVGI IYANSSFQPL TDKDMEAVEM AENDNRWWFF DAIIRGEITR DATA SEQUENCE XXEKIVRDDL KGRLDWIGVN YYTRTVVKRT EKGYVSLGGY GHGCERNSVS DATA SEQUENCE LAGLPTSDFG WEFFPEGLYD VLTKYWNRYH LYMYVTENGI ADDADYQRPY DATA SEQUENCE YLVSHVYQVH RAINSGADVR GYLHWSLADN YEWASGFSMR FGLLKVDYNT DATA SEQUENCE KRLYWRPSAL VYREIATNGA ITDEIEHLNS VPPVKPLRH 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.968 176.300 -0.553 0.000 1.140 1 M CA 0.000 55.125 55.300 -0.291 0.000 0.988 1 M CB 0.000 32.512 32.600 -0.147 0.000 1.302 2 Y N 1.905 122.101 120.300 -0.173 0.000 2.426 2 Y HA 0.578 5.128 4.550 0.001 0.000 0.325 2 Y C -0.345 175.358 175.900 -0.328 0.000 0.989 2 Y CA -0.526 57.270 58.100 -0.508 0.000 1.284 2 Y CB 2.192 40.226 38.460 -0.711 0.000 1.104 2 Y HN 0.643 nan 8.280 nan 0.000 0.481 3 S N 3.502 119.178 115.700 -0.041 0.000 2.541 3 S HA 0.596 5.066 4.470 0.001 0.000 0.283 3 S C -0.690 173.948 174.600 0.063 0.000 1.196 3 S CA -0.513 57.754 58.200 0.111 0.000 1.062 3 S CB 0.546 63.801 63.200 0.093 0.000 1.009 3 S HN 0.351 nan 8.310 nan 0.000 0.502 4 F N 2.021 122.052 119.950 0.135 0.000 2.440 4 F HA 0.476 5.004 4.527 0.001 0.000 0.328 4 F C -1.806 174.002 175.800 0.013 0.000 1.070 4 F CA -2.089 55.902 58.000 -0.015 0.000 1.011 4 F CB 0.043 38.904 39.000 -0.231 0.000 1.226 4 F HN 0.329 nan 8.300 nan 0.000 0.491 5 P HA -0.018 nan 4.420 nan 0.000 0.267 5 P C 0.352 177.756 177.300 0.173 0.000 1.195 5 P CA 0.250 63.422 63.100 0.119 0.000 0.773 5 P CB 0.502 32.263 31.700 0.102 0.000 0.837 6 N N 0.314 119.081 118.700 0.111 0.000 2.364 6 N HA -0.114 4.626 4.740 0.001 0.000 0.183 6 N C 1.157 176.721 175.510 0.090 0.000 1.022 6 N CA 1.393 54.505 53.050 0.103 0.000 0.883 6 N CB -0.125 38.400 38.487 0.063 0.000 0.965 6 N HN 0.473 nan 8.380 nan 0.000 0.438 7 S N -0.180 115.562 115.700 0.070 0.000 2.548 7 S HA 0.052 4.523 4.470 0.001 0.000 0.215 7 S C 0.435 175.030 174.600 -0.008 0.000 0.976 7 S CA -0.476 57.725 58.200 0.003 0.000 0.908 7 S CB -0.365 62.808 63.200 -0.044 0.000 0.781 7 S HN 0.187 nan 8.310 nan 0.000 0.519 8 F N 3.438 123.343 119.950 -0.074 0.000 2.484 8 F HA 0.435 4.963 4.527 0.001 0.000 0.360 8 F C 0.634 176.323 175.800 -0.185 0.000 1.101 8 F CA -0.552 57.365 58.000 -0.138 0.000 1.251 8 F CB 0.549 39.504 39.000 -0.074 0.000 1.132 8 F HN -0.050 nan 8.300 nan 0.000 0.570 9 R N 5.269 125.391 120.500 -0.630 0.000 2.637 9 R HA 0.432 4.773 4.340 0.001 0.000 0.291 9 R C -1.616 174.393 176.300 -0.485 0.000 0.963 9 R CA -0.867 55.020 56.100 -0.354 0.000 0.901 9 R CB 1.574 31.728 30.300 -0.243 0.000 1.160 9 R HN 0.492 nan 8.270 nan 0.000 0.457 10 F N 0.476 120.449 119.950 0.037 0.000 2.420 10 F HA 0.624 5.152 4.527 0.000 0.000 0.342 10 F C 1.032 176.923 175.800 0.151 0.000 1.113 10 F CA 0.070 58.166 58.000 0.161 0.000 1.059 10 F CB 2.059 41.105 39.000 0.077 0.000 1.128 10 F HN 0.663 nan 8.300 nan 0.000 0.475 11 G N 1.705 110.789 108.800 0.475 0.000 2.827 11 G HA2 0.495 4.456 3.960 0.001 0.000 0.202 11 G HA3 0.495 4.456 3.960 0.001 0.000 0.202 11 G C -2.233 173.059 174.900 0.653 0.000 1.185 11 G CA -0.548 44.837 45.100 0.475 0.000 0.920 11 G HN 0.739 nan 8.290 nan 0.000 0.550 12 W N -0.324 121.101 121.300 0.209 0.000 3.137 12 W HA 0.827 5.487 4.660 0.000 0.000 0.324 12 W C -1.108 175.472 176.519 0.101 0.000 1.253 12 W CA -0.917 56.531 57.345 0.171 0.000 1.183 12 W CB 1.269 30.818 29.460 0.149 0.000 1.424 12 W HN 0.574 nan 8.180 nan 0.000 0.566 13 S N 1.639 117.400 115.700 0.103 0.000 2.566 13 S HA 0.668 5.139 4.470 0.001 0.000 0.298 13 S C -1.348 173.230 174.600 -0.035 0.000 1.083 13 S CA -0.714 57.503 58.200 0.029 0.000 0.978 13 S CB 1.873 65.280 63.200 0.345 0.000 1.073 13 S HN 0.560 nan 8.310 nan 0.000 0.491 14 Q N 0.223 120.018 119.800 -0.008 0.000 2.522 14 Q HA 0.694 5.035 4.340 0.001 0.000 0.285 14 Q C -2.071 173.987 176.000 0.097 0.000 0.982 14 Q CA -0.714 54.993 55.803 -0.161 0.000 0.805 14 Q CB 1.830 30.550 28.738 -0.030 0.000 1.457 14 Q HN 0.795 nan 8.270 nan 0.000 0.394 15 A N 0.583 123.427 122.820 0.041 0.000 2.380 15 A HA 0.736 5.056 4.320 0.001 0.000 0.315 15 A C 0.568 178.162 177.584 0.016 0.000 1.101 15 A CA 0.084 52.058 52.037 -0.104 0.000 0.771 15 A CB 1.284 19.861 19.000 -0.705 0.000 1.287 15 A HN 0.898 nan 8.150 nan 0.000 0.436 16 G N 0.013 108.899 108.800 0.145 0.000 2.414 16 G HA2 -0.134 3.826 3.960 0.001 0.000 0.215 16 G HA3 -0.134 3.826 3.960 0.001 0.000 0.215 16 G C 1.245 176.270 174.900 0.208 0.000 1.188 16 G CA 1.411 46.677 45.100 0.277 0.000 0.783 16 G HN 0.751 nan 8.290 nan 0.000 0.537 17 F N 1.416 121.377 119.950 0.019 0.000 2.216 17 F HA -0.027 4.500 4.527 0.001 0.000 0.300 17 F C 2.877 178.570 175.800 -0.178 0.000 1.085 17 F CA 1.746 59.716 58.000 -0.050 0.000 1.326 17 F CB 0.006 38.979 39.000 -0.045 0.000 1.027 17 F HN 0.200 nan 8.300 nan 0.000 0.497 18 Q N -1.233 118.447 119.800 -0.199 0.000 2.187 18 Q HA -0.049 4.292 4.340 0.001 0.000 0.199 18 Q C 1.916 177.882 176.000 -0.056 0.000 0.957 18 Q CA 1.486 57.136 55.803 -0.257 0.000 0.857 18 Q CB 0.061 28.650 28.738 -0.249 0.000 0.929 18 Q HN 0.295 nan 8.270 nan 0.000 0.453 19 S N -0.250 115.450 115.700 -0.000 0.000 2.554 19 S HA 0.056 4.527 4.470 0.001 0.000 0.227 19 S C 1.296 175.985 174.600 0.149 0.000 1.050 19 S CA -0.208 58.049 58.200 0.094 0.000 0.927 19 S CB 0.440 63.653 63.200 0.022 0.000 0.859 19 S HN 0.248 nan 8.310 nan 0.000 0.494 20 E N 1.450 121.745 120.200 0.160 0.000 2.051 20 E HA -0.000 4.350 4.350 0.001 0.000 0.192 20 E C 0.323 177.015 176.600 0.155 0.000 0.991 20 E CA 0.817 57.373 56.400 0.261 0.000 0.799 20 E CB -0.079 29.784 29.700 0.271 0.000 0.748 20 E HN 0.453 nan 8.360 nan 0.000 0.449 21 M N -0.832 118.781 119.600 0.021 0.000 2.228 21 M HA 0.222 4.702 4.480 0.001 0.000 0.326 21 M C 0.947 177.282 176.300 0.059 0.000 1.122 21 M CA 0.884 56.177 55.300 -0.012 0.000 1.161 21 M CB 1.180 33.727 32.600 -0.087 0.000 1.437 21 M HN 0.333 nan 8.290 nan 0.000 0.465 22 G N 0.095 108.929 108.800 0.056 0.000 2.813 22 G HA2 -0.133 3.828 3.960 0.001 0.000 0.194 22 G HA3 -0.133 3.828 3.960 0.001 0.000 0.194 22 G C 0.038 174.981 174.900 0.072 0.000 1.010 22 G CA -0.046 45.099 45.100 0.075 0.000 0.771 22 G HN 0.783 nan 8.290 nan 0.000 0.485 23 T N 0.550 115.155 114.554 0.085 0.000 2.928 23 T HA 0.662 5.012 4.350 0.001 0.000 0.284 23 T C -2.908 171.830 174.700 0.064 0.000 1.008 23 T CA -1.799 60.348 62.100 0.080 0.000 1.057 23 T CB 2.189 71.120 68.868 0.105 0.000 1.018 23 T HN 0.024 nan 8.240 nan 0.000 0.493 24 P HA 0.277 nan 4.420 nan 0.000 0.262 24 P C 1.120 178.447 177.300 0.045 0.000 1.182 24 P CA 1.066 64.189 63.100 0.038 0.000 0.761 24 P CB 0.085 31.805 31.700 0.034 0.000 0.795 25 G N 2.474 111.284 108.800 0.017 0.000 2.176 25 G HA2 -0.285 3.676 3.960 0.001 0.000 0.253 25 G HA3 -0.285 3.676 3.960 0.001 0.000 0.253 25 G C 0.905 175.773 174.900 -0.053 0.000 0.979 25 G CA 0.461 45.564 45.100 0.006 0.000 0.641 25 G HN 0.615 nan 8.290 nan 0.000 0.530 26 S N -0.562 115.081 115.700 -0.096 0.000 2.535 26 S HA 0.334 4.804 4.470 0.001 0.000 0.214 26 S C 0.548 174.901 174.600 -0.413 0.000 0.980 26 S CA 0.299 58.280 58.200 -0.365 0.000 0.907 26 S CB 0.371 63.497 63.200 -0.124 0.000 0.790 26 S HN 0.550 nan 8.310 nan 0.000 0.510 27 E N 2.351 122.418 120.200 -0.223 0.000 2.465 27 E HA 0.060 4.410 4.350 0.001 0.000 0.260 27 E C -1.055 175.388 176.600 -0.262 0.000 0.980 27 E CA 0.298 56.592 56.400 -0.176 0.000 0.927 27 E CB 0.375 30.021 29.700 -0.090 0.000 0.934 27 E HN 0.271 nan 8.360 nan 0.000 0.459 28 D N 4.500 124.750 120.400 -0.250 0.000 2.438 28 D HA 0.156 4.796 4.640 0.001 0.000 0.257 28 D C -2.019 174.012 176.300 -0.449 0.000 1.148 28 D CA -2.208 51.639 54.000 -0.255 0.000 0.902 28 D CB 1.061 41.776 40.800 -0.141 0.000 1.062 28 D HN 0.105 nan 8.370 nan 0.000 0.518 29 P HA 0.102 nan 4.420 nan 0.000 0.249 29 P C -0.287 176.673 177.300 -0.568 0.000 1.229 29 P CA 0.145 62.452 63.100 -1.322 0.000 0.788 29 P CB 0.010 31.214 31.700 -0.826 0.000 1.072 30 N N 0.086 118.643 118.700 -0.238 0.000 2.376 30 N HA 0.076 4.816 4.740 0.001 0.000 0.249 30 N C 0.031 175.559 175.510 0.029 0.000 1.140 30 N CA -0.119 52.899 53.050 -0.052 0.000 0.870 30 N CB 0.263 38.749 38.487 -0.001 0.000 1.124 30 N HN 0.168 nan 8.380 nan 0.000 0.505 31 T N -3.032 111.583 114.554 0.102 0.000 2.942 31 T HA 0.175 4.525 4.350 0.001 0.000 0.289 31 T C 0.929 175.718 174.700 0.148 0.000 1.044 31 T CA -0.906 61.272 62.100 0.130 0.000 1.023 31 T CB 1.604 70.604 68.868 0.219 0.000 1.123 31 T HN -0.012 nan 8.240 nan 0.000 0.512 32 D N 0.180 120.616 120.400 0.060 0.000 2.133 32 D HA -0.186 4.454 4.640 0.001 0.000 0.195 32 D C 1.455 177.799 176.300 0.073 0.000 0.997 32 D CA 1.309 55.298 54.000 -0.019 0.000 0.840 32 D CB -0.644 40.059 40.800 -0.162 0.000 0.947 32 D HN 0.734 nan 8.370 nan 0.000 0.452 33 W N -0.149 121.158 121.300 0.012 0.000 2.381 33 W HA -0.095 4.565 4.660 0.001 0.000 0.301 33 W C 2.423 179.122 176.519 0.300 0.000 1.205 33 W CA 0.834 58.176 57.345 -0.006 0.000 1.285 33 W CB -0.589 28.561 29.460 -0.515 0.000 1.133 33 W HN -0.017 nan 8.180 nan 0.000 0.521 34 Y N 1.454 122.055 120.300 0.503 0.000 2.097 34 Y HA -0.333 4.218 4.550 0.001 0.000 0.282 34 Y C 2.577 178.762 175.900 0.475 0.000 1.152 34 Y CA 2.589 61.044 58.100 0.592 0.000 1.136 34 Y CB -0.679 38.032 38.460 0.419 0.000 0.975 34 Y HN -0.143 nan 8.280 nan 0.000 0.498 35 K N -0.267 120.426 120.400 0.488 0.000 2.057 35 K HA -0.260 4.060 4.320 0.001 0.000 0.207 35 K C 2.310 179.059 176.600 0.248 0.000 1.049 35 K CA 1.687 58.157 56.287 0.304 0.000 0.931 35 K CB -0.842 31.771 32.500 0.189 0.000 0.714 35 K HN 0.639 nan 8.250 nan 0.000 0.440 36 W N 1.787 123.108 121.300 0.035 0.000 2.335 36 W HA -0.216 4.444 4.660 0.001 0.000 0.311 36 W C 1.631 178.163 176.519 0.021 0.000 1.213 36 W CA 2.177 59.477 57.345 -0.076 0.000 1.274 36 W CB -0.108 29.159 29.460 -0.323 0.000 1.148 36 W HN 0.083 nan 8.180 nan 0.000 0.498 37 V N -1.871 118.215 119.914 0.287 0.000 3.041 37 V HA -0.115 4.005 4.120 0.001 0.000 0.260 37 V C 1.370 177.400 176.094 -0.107 0.000 1.105 37 V CA 1.810 64.200 62.300 0.150 0.000 1.125 37 V CB -1.094 30.976 31.823 0.413 0.000 0.730 37 V HN 0.092 nan 8.190 nan 0.000 0.479 38 H N 0.115 119.135 119.070 -0.084 0.000 2.553 38 H HA 0.300 4.856 4.556 0.001 0.000 0.265 38 H C 0.551 175.817 175.328 -0.105 0.000 0.964 38 H CA 0.202 56.179 56.048 -0.118 0.000 1.156 38 H CB -0.022 29.649 29.762 -0.153 0.000 1.411 38 H HN 0.558 nan 8.280 nan 0.000 0.558 39 D N 1.047 121.414 120.400 -0.056 0.000 2.401 39 D HA -0.019 4.621 4.640 0.001 0.000 0.254 39 D C -1.495 174.726 176.300 -0.132 0.000 1.192 39 D CA -1.492 52.437 54.000 -0.119 0.000 0.885 39 D CB 1.255 41.901 40.800 -0.256 0.000 1.147 39 D HN 0.027 nan 8.370 nan 0.000 0.478 40 P HA -0.154 nan 4.420 nan 0.000 0.215 40 P C 0.734 177.975 177.300 -0.098 0.000 1.153 40 P CA 1.196 64.251 63.100 -0.074 0.000 0.853 40 P CB 0.192 31.865 31.700 -0.046 0.000 0.788 41 E N -0.983 119.146 120.200 -0.118 0.000 2.072 41 E HA -0.158 4.192 4.350 0.001 0.000 0.191 41 E C 1.877 178.375 176.600 -0.170 0.000 0.985 41 E CA 0.866 57.191 56.400 -0.125 0.000 0.801 41 E CB -0.428 29.200 29.700 -0.120 0.000 0.750 41 E HN 0.200 nan 8.360 nan 0.000 0.452 42 N N 0.430 118.967 118.700 -0.271 0.000 2.104 42 N HA -0.146 4.594 4.740 0.001 0.000 0.190 42 N C 1.744 177.130 175.510 -0.208 0.000 1.024 42 N CA 1.205 54.047 53.050 -0.348 0.000 0.853 42 N CB -0.132 37.957 38.487 -0.663 0.000 1.008 42 N HN 0.193 nan 8.380 nan 0.000 0.424 43 M N 0.185 119.685 119.600 -0.167 0.000 2.132 43 M HA -0.055 4.425 4.480 0.001 0.000 0.263 43 M C 2.167 178.425 176.300 -0.071 0.000 1.065 43 M CA 1.423 56.662 55.300 -0.102 0.000 1.122 43 M CB -0.231 32.316 32.600 -0.088 0.000 1.365 43 M HN 0.141 nan 8.290 nan 0.000 0.411 44 A N 0.239 123.016 122.820 -0.072 0.000 1.930 44 A HA -0.001 4.320 4.320 0.001 0.000 0.217 44 A C 2.275 179.833 177.584 -0.044 0.000 1.175 44 A CA 1.740 53.747 52.037 -0.050 0.000 0.627 44 A CB -0.803 18.169 19.000 -0.047 0.000 0.815 44 A HN 0.505 nan 8.150 nan 0.000 0.443 45 A N -1.703 121.083 122.820 -0.057 0.000 2.119 45 A HA 0.353 4.673 4.320 0.001 0.000 0.217 45 A C 1.972 179.543 177.584 -0.022 0.000 1.153 45 A CA 1.397 53.409 52.037 -0.041 0.000 0.692 45 A CB -1.003 17.963 19.000 -0.056 0.000 0.799 45 A HN 1.906 nan 8.150 nan 0.000 0.458 46 G N -1.278 107.507 108.800 -0.025 0.000 2.153 46 G HA2 -0.287 3.674 3.960 0.001 0.000 0.252 46 G HA3 -0.287 3.674 3.960 0.001 0.000 0.252 46 G C 0.755 175.670 174.900 0.025 0.000 0.994 46 G CA 0.554 45.654 45.100 0.000 0.000 0.698 46 G HN 0.446 nan 8.290 nan 0.000 0.521 47 L N -0.568 120.657 121.223 0.004 0.000 2.141 47 L HA 0.159 4.500 4.340 0.001 0.000 0.209 47 L C 1.720 178.657 176.870 0.113 0.000 1.094 47 L CA 1.608 56.484 54.840 0.060 0.000 0.763 47 L CB -0.274 41.791 42.059 0.010 0.000 0.908 47 L HN 0.524 nan 8.230 nan 0.000 0.437 48 V N -5.341 114.592 119.914 0.033 0.000 2.960 48 V HA 0.382 4.503 4.120 0.001 0.000 0.315 48 V C 0.976 177.095 176.094 0.041 0.000 1.087 48 V CA -0.220 62.132 62.300 0.087 0.000 0.982 48 V CB 1.620 33.472 31.823 0.048 0.000 1.039 48 V HN 0.102 nan 8.190 nan 0.000 0.437 49 S N 0.494 116.221 115.700 0.045 0.000 2.461 49 S HA 0.263 4.734 4.470 0.001 0.000 0.228 49 S C 1.682 176.277 174.600 -0.008 0.000 1.005 49 S CA 1.256 59.459 58.200 0.006 0.000 0.942 49 S CB -0.083 63.097 63.200 -0.033 0.000 0.776 49 S HN 2.755 nan 8.310 nan 0.000 0.514 50 G N 0.779 109.570 108.800 -0.015 0.000 2.234 50 G HA2 -0.198 3.762 3.960 0.001 0.000 0.235 50 G HA3 -0.198 3.762 3.960 0.001 0.000 0.235 50 G C -0.370 174.514 174.900 -0.026 0.000 0.997 50 G CA 0.078 45.158 45.100 -0.034 0.000 0.623 50 G HN 0.558 nan 8.290 nan 0.000 0.514 51 D N 0.625 121.029 120.400 0.006 0.000 2.362 51 D HA 0.577 5.217 4.640 0.001 0.000 0.242 51 D C 0.772 177.100 176.300 0.046 0.000 1.132 51 D CA 0.311 54.346 54.000 0.058 0.000 0.907 51 D CB 0.989 41.798 40.800 0.016 0.000 1.195 51 D HN 0.373 nan 8.370 nan 0.000 0.429 52 L N 2.739 123.944 121.223 -0.030 0.000 2.365 52 L HA 0.303 4.643 4.340 0.001 0.000 0.273 52 L C -1.502 175.089 176.870 -0.465 0.000 1.000 52 L CA -1.763 52.891 54.840 -0.311 0.000 0.819 52 L CB 2.578 44.470 42.059 -0.277 0.000 1.284 52 L HN 0.168 nan 8.230 nan 0.000 0.418 53 P HA -0.178 nan 4.420 nan 0.000 0.220 53 P C 0.823 177.931 177.300 -0.319 0.000 1.148 53 P CA 1.120 63.584 63.100 -1.060 0.000 0.803 53 P CB 0.170 31.031 31.700 -1.397 0.000 0.782 54 E N -0.112 120.018 120.200 -0.118 0.000 2.472 54 E HA -0.109 4.241 4.350 0.001 0.000 0.200 54 E C 0.508 177.127 176.600 0.031 0.000 1.046 54 E CA 0.630 57.039 56.400 0.015 0.000 0.871 54 E CB -0.964 28.810 29.700 0.124 0.000 0.806 54 E HN 0.270 nan 8.360 nan 0.000 0.533 55 N N 1.540 120.271 118.700 0.052 0.000 2.327 55 N HA 0.116 4.857 4.740 0.001 0.000 0.231 55 N C 0.468 175.924 175.510 -0.091 0.000 1.130 55 N CA 0.436 53.492 53.050 0.011 0.000 0.845 55 N CB 0.774 39.259 38.487 -0.004 0.000 1.073 55 N HN 0.221 nan 8.380 nan 0.000 0.496 56 G N 1.524 110.376 108.800 0.087 0.000 2.508 56 G HA2 0.158 4.119 3.960 0.001 0.000 0.278 56 G HA3 0.158 4.119 3.960 0.001 0.000 0.278 56 G C -1.435 173.649 174.900 0.308 0.000 1.389 56 G CA -0.631 44.598 45.100 0.214 0.000 1.050 56 G HN -0.026 nan 8.290 nan 0.000 0.522 57 P HA 0.084 nan 4.420 nan 0.000 0.241 57 P C 0.963 178.439 177.300 0.293 0.000 1.191 57 P CA 1.135 64.413 63.100 0.298 0.000 0.771 57 P CB 0.358 32.280 31.700 0.369 0.000 0.929 58 G N 0.028 108.970 108.800 0.237 0.000 2.225 58 G HA2 -0.337 3.623 3.960 0.001 0.000 0.264 58 G HA3 -0.337 3.623 3.960 0.001 0.000 0.264 58 G C 0.422 175.416 174.900 0.158 0.000 1.060 58 G CA 0.169 45.383 45.100 0.191 0.000 0.833 58 G HN 0.279 nan 8.290 nan 0.000 0.498 59 Y N -0.837 119.400 120.300 -0.106 0.000 2.274 59 Y HA -0.056 4.494 4.550 0.001 0.000 0.290 59 Y C 2.368 178.266 175.900 -0.003 0.000 1.145 59 Y CA 2.164 60.003 58.100 -0.434 0.000 1.203 59 Y CB -0.148 37.960 38.460 -0.586 0.000 0.984 59 Y HN 0.546 nan 8.280 nan 0.000 0.533 60 W N 0.638 121.893 121.300 -0.076 0.000 2.318 60 W HA -0.215 4.445 4.660 0.001 0.000 0.313 60 W C 2.070 178.652 176.519 0.105 0.000 1.221 60 W CA 2.000 59.308 57.345 -0.062 0.000 1.266 60 W CB -0.710 28.678 29.460 -0.120 0.000 1.150 60 W HN 0.253 nan 8.180 nan 0.000 0.496 61 G N -0.762 108.154 108.800 0.192 0.000 2.539 61 G HA2 -0.170 3.790 3.960 0.001 0.000 0.215 61 G HA3 -0.170 3.790 3.960 0.001 0.000 0.215 61 G C 0.976 175.822 174.900 -0.090 0.000 1.141 61 G CA 0.364 45.512 45.100 0.079 0.000 0.806 61 G HN 0.116 nan 8.290 nan 0.000 0.533 62 N N 0.044 118.684 118.700 -0.099 0.000 2.214 62 N HA 0.098 4.839 4.740 0.001 0.000 0.214 62 N C 1.401 176.767 175.510 -0.241 0.000 1.132 62 N CA -0.376 52.594 53.050 -0.133 0.000 0.856 62 N CB 0.099 38.642 38.487 0.094 0.000 1.020 62 N HN 0.580 nan 8.380 nan 0.000 0.509 63 Y N 0.824 120.810 120.300 -0.524 0.000 2.228 63 Y HA -0.133 4.417 4.550 0.001 0.000 0.285 63 Y C 1.789 177.342 175.900 -0.578 0.000 1.178 63 Y CA 1.170 58.747 58.100 -0.873 0.000 1.202 63 Y CB -0.476 37.184 38.460 -1.333 0.000 0.974 63 Y HN -0.131 nan 8.280 nan 0.000 0.527 64 K N 0.100 120.034 120.400 -0.777 0.000 2.057 64 K HA -0.116 4.204 4.320 0.001 0.000 0.207 64 K C 2.080 178.618 176.600 -0.104 0.000 1.049 64 K CA 1.906 57.975 56.287 -0.362 0.000 0.931 64 K CB -0.418 31.826 32.500 -0.428 0.000 0.714 64 K HN 0.402 nan 8.250 nan 0.000 0.440 65 T N 1.041 115.542 114.554 -0.089 0.000 2.746 65 T HA -0.112 4.238 4.350 0.001 0.000 0.267 65 T C 1.579 176.328 174.700 0.081 0.000 1.039 65 T CA 1.206 63.309 62.100 0.005 0.000 1.142 65 T CB -0.283 68.580 68.868 -0.008 0.000 0.866 65 T HN 0.051 nan 8.240 nan 0.000 0.444 66 F N 1.339 121.240 119.950 -0.082 0.000 2.095 66 F HA -0.094 4.433 4.527 0.001 0.000 0.298 66 F C 2.396 178.208 175.800 0.020 0.000 1.104 66 F CA 1.226 59.203 58.000 -0.039 0.000 1.232 66 F CB -0.830 38.254 39.000 0.139 0.000 0.987 66 F HN 0.413 nan 8.300 nan 0.000 0.475 67 H N -1.400 117.851 119.070 0.302 0.000 2.423 67 H HA -0.133 4.424 4.556 0.001 0.000 0.297 67 H C 1.722 177.123 175.328 0.122 0.000 1.075 67 H CA 0.740 56.931 56.048 0.237 0.000 1.342 67 H CB -0.065 29.865 29.762 0.281 0.000 1.395 67 H HN 0.129 nan 8.280 nan 0.000 0.530 68 D N 0.340 120.858 120.400 0.197 0.000 2.123 68 D HA -0.142 4.498 4.640 0.001 0.000 0.196 68 D C 1.828 178.202 176.300 0.123 0.000 0.992 68 D CA 0.840 54.914 54.000 0.124 0.000 0.833 68 D CB -0.230 40.612 40.800 0.070 0.000 0.954 68 D HN 0.359 nan 8.370 nan 0.000 0.455 69 N N 0.342 119.095 118.700 0.087 0.000 2.171 69 N HA -0.052 4.688 4.740 0.001 0.000 0.184 69 N C 1.765 177.273 175.510 -0.003 0.000 1.021 69 N CA 0.989 54.099 53.050 0.100 0.000 0.854 69 N CB -0.100 38.355 38.487 -0.054 0.000 0.994 69 N HN 0.087 nan 8.380 nan 0.000 0.426 70 A N 1.196 123.954 122.820 -0.103 0.000 1.933 70 A HA -0.202 4.118 4.320 0.001 0.000 0.218 70 A C 2.185 179.809 177.584 0.066 0.000 1.175 70 A CA 1.420 53.384 52.037 -0.121 0.000 0.628 70 A CB -0.632 18.227 19.000 -0.236 0.000 0.814 70 A HN 0.362 nan 8.150 nan 0.000 0.444 71 Q N -0.316 119.556 119.800 0.120 0.000 2.079 71 Q HA -0.159 4.181 4.340 0.001 0.000 0.200 71 Q C 1.949 178.024 176.000 0.126 0.000 0.974 71 Q CA 1.623 57.501 55.803 0.126 0.000 0.840 71 Q CB -0.121 28.689 28.738 0.121 0.000 0.898 71 Q HN 0.660 nan 8.270 nan 0.000 0.430 72 K N -0.010 120.489 120.400 0.164 0.000 2.152 72 K HA -0.152 4.168 4.320 0.001 0.000 0.206 72 K C 1.863 178.637 176.600 0.290 0.000 1.048 72 K CA 1.382 57.797 56.287 0.213 0.000 0.933 72 K CB -0.101 32.566 32.500 0.279 0.000 0.721 72 K HN 0.314 nan 8.250 nan 0.000 0.447 73 M N -0.476 119.284 119.600 0.266 0.000 2.618 73 M HA 0.005 4.486 4.480 0.001 0.000 0.240 73 M C 0.423 176.748 176.300 0.040 0.000 1.123 73 M CA 0.737 56.140 55.300 0.172 0.000 1.060 73 M CB 0.480 33.029 32.600 -0.084 0.000 1.535 73 M HN 0.400 nan 8.290 nan 0.000 0.507 74 G N 1.330 110.168 108.800 0.063 0.000 2.136 74 G HA2 -0.231 3.729 3.960 0.001 0.000 0.242 74 G HA3 -0.231 3.729 3.960 0.001 0.000 0.242 74 G C -0.032 174.890 174.900 0.037 0.000 0.989 74 G CA -0.064 45.059 45.100 0.039 0.000 0.682 74 G HN 0.443 nan 8.290 nan 0.000 0.522 75 L N -0.533 120.726 121.223 0.061 0.000 2.439 75 L HA 0.428 4.768 4.340 0.001 0.000 0.269 75 L C 1.317 178.288 176.870 0.168 0.000 1.179 75 L CA 0.063 54.984 54.840 0.135 0.000 0.828 75 L CB 0.978 43.193 42.059 0.260 0.000 1.106 75 L HN 0.013 nan 8.230 nan 0.000 0.467 76 K N 2.615 123.112 120.400 0.162 0.000 2.520 76 K HA 0.435 4.756 4.320 0.001 0.000 0.206 76 K C -0.346 176.309 176.600 0.093 0.000 1.122 76 K CA -0.215 56.141 56.287 0.115 0.000 1.045 76 K CB 0.799 33.349 32.500 0.082 0.000 0.932 76 K HN 0.586 nan 8.250 nan 0.000 0.571 77 I N -0.281 120.346 120.570 0.096 0.000 2.752 77 I HA 0.704 4.874 4.170 0.001 0.000 0.295 77 I C -2.089 173.963 176.117 -0.108 0.000 1.219 77 I CA -0.971 60.340 61.300 0.018 0.000 1.030 77 I CB 2.027 39.994 38.000 -0.054 0.000 1.259 77 I HN 0.138 nan 8.210 nan 0.000 0.423 78 A N 6.736 129.400 122.820 -0.260 0.000 2.486 78 A HA 0.808 5.128 4.320 0.001 0.000 0.300 78 A C -1.509 175.851 177.584 -0.373 0.000 1.048 78 A CA -0.692 50.959 52.037 -0.645 0.000 0.696 78 A CB 1.910 20.305 19.000 -1.008 0.000 1.278 78 A HN 0.683 nan 8.150 nan 0.000 0.405 79 R N 2.289 122.539 120.500 -0.416 0.000 2.513 79 R HA 0.788 5.129 4.340 0.001 0.000 0.301 79 R C -2.443 173.784 176.300 -0.121 0.000 0.968 79 R CA -0.428 55.552 56.100 -0.201 0.000 0.872 79 R CB 1.232 31.452 30.300 -0.133 0.000 1.177 79 R HN 0.686 nan 8.270 nan 0.000 0.444 80 L N 3.302 124.531 121.223 0.009 0.000 2.469 80 L HA 0.492 4.833 4.340 0.001 0.000 0.256 80 L C -1.157 175.808 176.870 0.158 0.000 1.006 80 L CA -0.620 54.291 54.840 0.117 0.000 0.832 80 L CB 2.386 44.575 42.059 0.217 0.000 1.421 80 L HN 0.863 nan 8.230 nan 0.000 0.410 81 N N 0.833 119.683 118.700 0.250 0.000 2.362 81 N HA 0.582 5.323 4.740 0.001 0.000 0.299 81 N C -0.980 174.722 175.510 0.320 0.000 1.170 81 N CA -0.567 52.645 53.050 0.269 0.000 0.825 81 N CB 2.057 40.743 38.487 0.330 0.000 1.299 81 N HN 0.378 nan 8.380 nan 0.000 0.502 82 V N -1.757 118.289 119.914 0.220 0.000 2.607 82 V HA 0.420 4.541 4.120 0.001 0.000 0.289 82 V C 0.197 176.551 176.094 0.432 0.000 1.053 82 V CA -0.672 61.657 62.300 0.049 0.000 0.996 82 V CB 0.974 32.703 31.823 -0.157 0.000 0.995 82 V HN 0.580 nan 8.190 nan 0.000 0.476 83 E N 4.014 124.539 120.200 0.542 0.000 2.052 83 E HA 0.053 4.403 4.350 0.001 0.000 0.283 83 E C 0.340 177.296 176.600 0.595 0.000 1.071 83 E CA -0.329 56.408 56.400 0.561 0.000 0.851 83 E CB 0.905 30.900 29.700 0.492 0.000 1.066 83 E HN 1.010 nan 8.360 nan 0.000 0.396 84 W N 4.376 125.838 121.300 0.271 0.000 2.262 84 W HA -0.370 4.290 4.660 0.001 0.000 0.331 84 W C 1.990 178.564 176.519 0.092 0.000 1.315 84 W CA 2.724 59.945 57.345 -0.207 0.000 1.302 84 W CB -0.899 28.292 29.460 -0.448 0.000 1.128 84 W HN 0.532 nan 8.180 nan 0.000 0.482 85 S N 0.316 116.210 115.700 0.324 0.000 2.400 85 S HA -0.237 4.233 4.470 0.001 0.000 0.232 85 S C 1.897 176.650 174.600 0.255 0.000 1.025 85 S CA 1.648 59.974 58.200 0.210 0.000 0.993 85 S CB -0.744 62.539 63.200 0.139 0.000 0.808 85 S HN 0.480 nan 8.310 nan 0.000 0.478 86 R N 0.376 121.053 120.500 0.295 0.000 2.115 86 R HA 0.157 4.497 4.340 0.001 0.000 0.226 86 R C 2.015 178.478 176.300 0.272 0.000 1.100 86 R CA 1.194 57.436 56.100 0.237 0.000 0.980 86 R CB -0.365 30.086 30.300 0.253 0.000 0.875 86 R HN 0.411 nan 8.270 nan 0.000 0.445 87 I N -0.131 120.649 120.570 0.350 0.000 2.339 87 I HA -0.068 4.102 4.170 0.001 0.000 0.245 87 I C 0.581 176.550 176.117 -0.246 0.000 1.096 87 I CA 1.172 62.547 61.300 0.126 0.000 1.408 87 I CB -0.371 37.820 38.000 0.317 0.000 1.092 87 I HN -0.044 nan 8.210 nan 0.000 0.423 88 F N 2.596 122.826 119.950 0.467 0.000 2.449 88 F HA 0.362 4.889 4.527 0.001 0.000 0.329 88 F C -1.541 174.497 175.800 0.396 0.000 1.245 88 F CA -2.074 56.174 58.000 0.414 0.000 1.193 88 F CB 0.172 39.496 39.000 0.540 0.000 1.425 88 F HN -0.075 nan 8.300 nan 0.000 0.544 89 P HA -0.072 nan 4.420 nan 0.000 0.223 89 P C -0.326 177.112 177.300 0.229 0.000 1.151 89 P CA 0.951 64.215 63.100 0.274 0.000 0.787 89 P CB 0.365 32.152 31.700 0.144 0.000 0.788 90 N N -0.259 118.478 118.700 0.062 0.000 2.362 90 N HA 0.384 5.124 4.740 0.001 0.000 0.299 90 N C -2.808 172.156 175.510 -0.909 0.000 1.170 90 N CA -2.154 50.752 53.050 -0.241 0.000 0.825 90 N CB 0.861 39.295 38.487 -0.089 0.000 1.299 90 N HN -0.129 nan 8.380 nan 0.000 0.502 91 P HA 0.112 nan 4.420 nan 0.000 0.272 91 P C -0.764 175.843 177.300 -1.155 0.000 1.223 91 P CA 0.021 62.034 63.100 -1.812 0.000 0.784 91 P CB 0.653 31.869 31.700 -0.806 0.000 0.923 92 L N 3.403 123.895 121.223 -1.217 0.000 2.375 92 L HA 0.465 4.805 4.340 0.001 0.000 0.268 92 L C -1.822 174.741 176.870 -0.512 0.000 1.058 92 L CA -2.228 52.153 54.840 -0.764 0.000 0.803 92 L CB 0.153 41.890 42.059 -0.536 0.000 1.212 92 L HN 0.261 nan 8.230 nan 0.000 0.451 93 P HA 0.115 nan 4.420 nan 0.000 0.265 93 P C -0.371 176.834 177.300 -0.158 0.000 1.193 93 P CA -0.221 62.727 63.100 -0.254 0.000 0.765 93 P CB 0.288 31.865 31.700 -0.205 0.000 0.823 94 R N 3.738 124.180 120.500 -0.095 0.000 2.585 94 R HA 0.275 4.616 4.340 0.001 0.000 0.275 94 R C -1.900 174.359 176.300 -0.068 0.000 1.018 94 R CA -0.679 55.389 56.100 -0.054 0.000 1.072 94 R CB -1.994 28.301 30.300 -0.008 0.000 0.953 94 R HN 0.509 nan 8.270 nan 0.000 0.419 99 D N 4.985 124.962 120.400 -0.705 0.000 2.427 99 D HA 0.373 5.013 4.640 0.001 0.000 0.226 99 D C 0.926 176.714 176.300 -0.853 0.000 1.076 99 D CA 0.819 54.455 54.000 -0.607 0.000 0.849 99 D CB 1.715 42.347 40.800 -0.280 0.000 1.052 99 D HN 0.851 nan 8.370 nan 0.000 0.515 100 E N 1.797 121.510 120.200 -0.811 0.000 2.338 100 E HA -0.138 4.212 4.350 0.001 0.000 0.197 100 E C 1.641 178.102 176.600 -0.231 0.000 1.007 100 E CA 1.345 57.425 56.400 -0.533 0.000 0.849 100 E CB -0.543 nan 29.700 nan 0.000 0.774 100 E HN 0.525 nan 8.360 nan 0.000 0.506 101 S N -0.559 115.019 115.700 -0.203 0.000 2.496 101 S HA 0.041 4.511 4.470 0.001 0.000 0.224 101 S C 1.143 175.693 174.600 -0.085 0.000 0.996 101 S CA 0.290 58.423 58.200 -0.112 0.000 0.927 101 S CB -0.047 63.094 63.200 -0.097 0.000 0.774 101 S HN 0.211 nan 8.310 nan 0.000 0.524 102 K N 2.165 122.502 120.400 -0.106 0.000 2.416 102 K HA 0.227 4.547 4.320 0.001 0.000 0.283 102 K C 1.130 177.741 176.600 0.017 0.000 1.037 102 K CA -0.161 56.099 56.287 -0.044 0.000 0.995 102 K CB 0.777 33.249 32.500 -0.046 0.000 0.938 102 K HN 0.507 nan 8.250 nan 0.000 0.475 103 Q N 0.768 120.592 119.800 0.040 0.000 2.079 103 Q HA -0.121 4.219 4.340 0.001 0.000 0.200 103 Q C -0.215 175.910 176.000 0.209 0.000 0.974 103 Q CA 1.476 57.336 55.803 0.095 0.000 0.840 103 Q CB 0.240 29.001 28.738 0.039 0.000 0.898 103 Q HN 0.631 nan 8.270 nan 0.000 0.430 104 D N -0.551 119.953 120.400 0.173 0.000 2.175 104 D HA 0.239 4.880 4.640 0.001 0.000 0.248 104 D C -1.058 175.326 176.300 0.140 0.000 1.047 104 D CA -0.257 53.851 54.000 0.179 0.000 0.883 104 D CB 2.000 42.886 40.800 0.144 0.000 1.180 104 D HN -0.199 nan 8.370 nan 0.000 0.438 105 V N 2.088 122.077 119.914 0.124 0.000 2.284 105 V HA 0.176 4.296 4.120 0.001 0.000 0.274 105 V C 1.234 177.370 176.094 0.071 0.000 1.023 105 V CA -0.432 61.953 62.300 0.141 0.000 0.808 105 V CB 0.920 32.854 31.823 0.185 0.000 1.035 105 V HN 0.772 nan 8.190 nan 0.000 0.445 106 T N 0.250 114.844 114.554 0.066 0.000 3.051 106 T HA 0.216 4.566 4.350 0.001 0.000 0.255 106 T C 0.428 175.140 174.700 0.020 0.000 1.085 106 T CA 0.279 62.396 62.100 0.027 0.000 1.109 106 T CB 0.653 69.538 68.868 0.027 0.000 0.921 106 T HN 0.588 nan 8.240 nan 0.000 0.488 107 E N -0.050 120.177 120.200 0.045 0.000 2.343 107 E HA 0.545 4.896 4.350 0.001 0.000 0.278 107 E C -2.193 174.434 176.600 0.046 0.000 0.910 107 E CA -0.857 55.559 56.400 0.027 0.000 0.757 107 E CB 2.671 32.387 29.700 0.028 0.000 1.218 107 E HN 0.010 nan 8.360 nan 0.000 0.435 108 V N 3.628 123.529 119.914 -0.022 0.000 2.419 108 V HA 0.228 4.349 4.120 0.001 0.000 0.287 108 V C -0.387 175.646 176.094 -0.101 0.000 1.017 108 V CA -0.718 61.533 62.300 -0.083 0.000 0.844 108 V CB 1.500 33.153 31.823 -0.284 0.000 1.011 108 V HN 0.678 nan 8.190 nan 0.000 0.429 109 E N 4.631 124.811 120.200 -0.033 0.000 2.290 109 E HA 0.451 4.801 4.350 0.001 0.000 0.277 109 E C -1.152 175.396 176.600 -0.087 0.000 1.035 109 E CA -0.067 56.307 56.400 -0.043 0.000 0.873 109 E CB 0.851 30.551 29.700 0.000 0.000 1.029 109 E HN 0.567 nan 8.360 nan 0.000 0.419 110 I N 4.364 124.866 120.570 -0.114 0.000 2.533 110 I HA 0.264 4.435 4.170 0.001 0.000 0.290 110 I C -0.540 175.495 176.117 -0.136 0.000 1.056 110 I CA -0.772 60.441 61.300 -0.145 0.000 1.057 110 I CB 1.867 39.751 38.000 -0.194 0.000 1.240 110 I HN 0.509 nan 8.210 nan 0.000 0.423 111 N N 2.675 121.288 118.700 -0.145 0.000 2.697 111 N HA 0.310 5.050 4.740 0.001 0.000 0.272 111 N C 0.213 175.597 175.510 -0.209 0.000 1.381 111 N CA -0.946 52.020 53.050 -0.141 0.000 0.797 111 N CB 0.901 39.337 38.487 -0.084 0.000 1.523 111 N HN 0.503 nan 8.380 nan 0.000 0.518 112 E N -0.522 119.567 120.200 -0.184 0.000 2.097 112 E HA -0.236 4.114 4.350 0.001 0.000 0.196 112 E C 0.537 177.016 176.600 -0.201 0.000 1.000 112 E CA 1.420 57.683 56.400 -0.229 0.000 0.804 112 E CB -0.092 29.566 29.700 -0.070 0.000 0.740 112 E HN 0.482 nan 8.360 nan 0.000 0.454 113 N N 0.718 119.355 118.700 -0.105 0.000 2.106 113 N HA -0.159 4.582 4.740 0.001 0.000 0.188 113 N C 1.684 177.152 175.510 -0.070 0.000 1.029 113 N CA 0.710 53.726 53.050 -0.057 0.000 0.848 113 N CB -0.355 38.119 38.487 -0.022 0.000 1.007 113 N HN 0.205 nan 8.380 nan 0.000 0.423 114 E N 0.996 121.141 120.200 -0.092 0.000 2.070 114 E HA -0.144 4.207 4.350 0.001 0.000 0.197 114 E C 2.094 178.622 176.600 -0.120 0.000 1.004 114 E CA 0.764 57.114 56.400 -0.083 0.000 0.805 114 E CB -0.161 29.483 29.700 -0.093 0.000 0.744 114 E HN 0.329 nan 8.360 nan 0.000 0.451 115 L N 0.283 121.339 121.223 -0.279 0.000 2.083 115 L HA -0.195 4.145 4.340 0.001 0.000 0.209 115 L C 2.588 179.303 176.870 -0.258 0.000 1.083 115 L CA 1.224 55.801 54.840 -0.439 0.000 0.752 115 L CB -0.251 41.071 42.059 -1.228 0.000 0.899 115 L HN 0.017 nan 8.230 nan 0.000 0.433 116 K N -0.338 119.952 120.400 -0.184 0.000 2.097 116 K HA -0.125 4.196 4.320 0.001 0.000 0.205 116 K C 2.271 178.956 176.600 0.141 0.000 1.050 116 K CA 1.037 57.385 56.287 0.101 0.000 0.938 116 K CB -0.013 32.555 32.500 0.112 0.000 0.718 116 K HN 0.193 nan 8.250 nan 0.000 0.442 117 R N 0.568 121.124 120.500 0.092 0.000 2.073 117 R HA -0.056 4.284 4.340 0.001 0.000 0.234 117 R C 2.279 178.730 176.300 0.253 0.000 1.134 117 R CA 1.144 57.332 56.100 0.146 0.000 0.952 117 R CB -0.321 30.054 30.300 0.125 0.000 0.850 117 R HN 0.136 nan 8.270 nan 0.000 0.433 118 L N 0.455 121.793 121.223 0.191 0.000 2.042 118 L HA -0.233 4.107 4.340 0.001 0.000 0.210 118 L C 1.979 179.035 176.870 0.310 0.000 1.076 118 L CA 1.396 56.349 54.840 0.189 0.000 0.749 118 L CB -0.448 41.594 42.059 -0.029 0.000 0.893 118 L HN 0.203 nan 8.230 nan 0.000 0.432 119 D N 0.057 120.677 120.400 0.367 0.000 2.221 119 D HA -0.212 4.428 4.640 0.001 0.000 0.204 119 D C 1.966 178.427 176.300 0.268 0.000 0.982 119 D CA 1.086 55.368 54.000 0.471 0.000 0.857 119 D CB 0.140 41.307 40.800 0.612 0.000 0.934 119 D HN 0.366 nan 8.370 nan 0.000 0.475 120 E N -1.365 118.918 120.200 0.138 0.000 2.268 120 E HA -0.166 4.184 4.350 0.001 0.000 0.195 120 E C 1.130 177.601 176.600 -0.215 0.000 0.995 120 E CA 0.643 56.980 56.400 -0.105 0.000 0.836 120 E CB -0.062 29.451 29.700 -0.312 0.000 0.763 120 E HN 0.535 nan 8.360 nan 0.000 0.491 121 Y N 0.182 120.593 120.300 0.186 0.000 2.462 121 Y HA 0.276 4.827 4.550 0.001 0.000 0.261 121 Y C 0.906 176.951 175.900 0.243 0.000 1.146 121 Y CA -0.244 57.985 58.100 0.216 0.000 1.283 121 Y CB 0.383 38.979 38.460 0.225 0.000 1.090 121 Y HN -0.098 nan 8.280 nan 0.000 0.526 122 A N 0.940 123.916 122.820 0.261 0.000 2.354 122 A HA 0.134 4.454 4.320 0.001 0.000 0.269 122 A C 0.213 177.794 177.584 -0.006 0.000 1.109 122 A CA -0.546 51.406 52.037 -0.142 0.000 0.800 122 A CB 0.069 18.969 19.000 -0.166 0.000 1.045 122 A HN 0.304 nan 8.150 nan 0.000 0.489 123 N N 1.344 120.025 118.700 -0.032 0.000 2.431 123 N HA 0.019 4.759 4.740 0.001 0.000 0.265 123 N C 0.460 176.037 175.510 0.111 0.000 1.184 123 N CA -0.226 52.864 53.050 0.066 0.000 0.943 123 N CB 0.718 39.257 38.487 0.088 0.000 1.080 123 N HN 0.465 nan 8.380 nan 0.000 0.477 124 K N 2.770 123.232 120.400 0.103 0.000 2.167 124 K HA -0.042 4.278 4.320 0.001 0.000 0.203 124 K C 0.851 177.524 176.600 0.123 0.000 1.052 124 K CA 0.874 57.226 56.287 0.109 0.000 0.956 124 K CB -0.014 32.532 32.500 0.077 0.000 0.735 124 K HN 0.535 nan 8.250 nan 0.000 0.451 125 D N 1.066 121.539 120.400 0.121 0.000 2.097 125 D HA -0.100 4.540 4.640 0.001 0.000 0.195 125 D C 1.794 178.222 176.300 0.213 0.000 0.989 125 D CA 1.525 55.607 54.000 0.138 0.000 0.827 125 D CB -0.100 40.772 40.800 0.120 0.000 0.966 125 D HN 0.142 nan 8.370 nan 0.000 0.456 126 A N 0.474 123.446 122.820 0.254 0.000 1.877 126 A HA -0.128 4.192 4.320 0.001 0.000 0.216 126 A C 2.397 180.249 177.584 0.446 0.000 1.186 126 A CA 0.965 53.237 52.037 0.391 0.000 0.620 126 A CB -0.836 18.382 19.000 0.364 0.000 0.822 126 A HN 0.217 nan 8.150 nan 0.000 0.443 127 L N -0.171 121.280 121.223 0.381 0.000 2.017 127 L HA -0.213 4.128 4.340 0.001 0.000 0.208 127 L C 2.655 179.708 176.870 0.304 0.000 1.073 127 L CA 1.677 56.769 54.840 0.421 0.000 0.745 127 L CB -0.515 41.703 42.059 0.265 0.000 0.894 127 L HN 0.607 nan 8.230 nan 0.000 0.432 128 N N -0.712 118.087 118.700 0.164 0.000 2.188 128 N HA -0.251 4.490 4.740 0.001 0.000 0.184 128 N C 1.935 177.433 175.510 -0.020 0.000 1.018 128 N CA 1.248 54.335 53.050 0.061 0.000 0.858 128 N CB 0.061 38.570 38.487 0.036 0.000 0.989 128 N HN 0.398 nan 8.380 nan 0.000 0.426 129 H N -0.600 118.387 119.070 -0.138 0.000 2.321 129 H HA -0.103 4.453 4.556 0.001 0.000 0.300 129 H C 1.451 176.387 175.328 -0.654 0.000 1.087 129 H CA 1.987 57.758 56.048 -0.463 0.000 1.319 129 H CB -0.157 29.200 29.762 -0.674 0.000 1.379 129 H HN 0.202 nan 8.280 nan 0.000 0.501 130 Y N 0.505 120.596 120.300 -0.348 0.000 2.165 130 Y HA -0.217 4.333 4.550 0.001 0.000 0.286 130 Y C 2.888 178.272 175.900 -0.860 0.000 1.155 130 Y CA 1.750 59.410 58.100 -0.733 0.000 1.164 130 Y CB -0.436 37.726 38.460 -0.497 0.000 0.978 130 Y HN 0.181 nan 8.280 nan 0.000 0.513 131 R N 0.619 121.107 120.500 -0.020 0.000 2.091 131 R HA -0.194 4.147 4.340 0.001 0.000 0.238 131 R C 1.943 178.151 176.300 -0.153 0.000 1.136 131 R CA 2.012 58.166 56.100 0.091 0.000 0.959 131 R CB -0.195 30.179 30.300 0.122 0.000 0.856 131 R HN 0.415 nan 8.270 nan 0.000 0.437 132 E N 0.096 120.102 120.200 -0.323 0.000 2.106 132 E HA -0.177 4.173 4.350 0.001 0.000 0.192 132 E C 2.034 178.337 176.600 -0.495 0.000 0.984 132 E CA 1.464 57.647 56.400 -0.362 0.000 0.806 132 E CB -0.083 29.356 29.700 -0.436 0.000 0.750 132 E HN 0.430 nan 8.360 nan 0.000 0.458 133 I N 0.496 120.539 120.570 -0.877 0.000 2.163 133 I HA -0.246 3.924 4.170 0.001 0.000 0.240 133 I C 1.974 177.997 176.117 -0.157 0.000 1.081 133 I CA 0.949 61.710 61.300 -0.898 0.000 1.353 133 I CB -0.246 37.170 38.000 -0.974 0.000 1.054 133 I HN 0.053 nan 8.210 nan 0.000 0.407 134 F N 1.328 121.130 119.950 -0.247 0.000 2.171 134 F HA -0.136 4.392 4.527 0.001 0.000 0.300 134 F C 2.444 178.099 175.800 -0.241 0.000 1.090 134 F CA 0.955 58.752 58.000 -0.338 0.000 1.293 134 F CB -1.217 37.611 39.000 -0.287 0.000 1.013 134 F HN -0.010 nan 8.300 nan 0.000 0.486 135 K N 0.152 120.577 120.400 0.042 0.000 2.057 135 K HA -0.216 4.105 4.320 0.001 0.000 0.207 135 K C 1.793 178.401 176.600 0.013 0.000 1.049 135 K CA 1.792 58.091 56.287 0.019 0.000 0.931 135 K CB -0.441 32.065 32.500 0.009 0.000 0.714 135 K HN 0.190 nan 8.250 nan 0.000 0.440 136 D N 0.704 121.135 120.400 0.052 0.000 2.144 136 D HA -0.169 4.471 4.640 0.001 0.000 0.199 136 D C 1.901 178.233 176.300 0.053 0.000 0.984 136 D CA 0.624 54.707 54.000 0.138 0.000 0.834 136 D CB 0.106 41.118 40.800 0.353 0.000 0.955 136 D HN 0.029 nan 8.370 nan 0.000 0.465 137 L N 0.417 121.577 121.223 -0.105 0.000 1.994 137 L HA -0.145 4.195 4.340 0.001 0.000 0.208 137 L C 1.927 178.668 176.870 -0.215 0.000 1.071 137 L CA 1.524 56.116 54.840 -0.412 0.000 0.745 137 L CB -0.317 41.427 42.059 -0.526 0.000 0.892 137 L HN -0.128 nan 8.230 nan 0.000 0.431 138 K N 0.004 120.307 120.400 -0.161 0.000 2.147 138 K HA -0.097 4.223 4.320 0.001 0.000 0.205 138 K C 2.306 178.889 176.600 -0.028 0.000 1.049 138 K CA 1.412 57.649 56.287 -0.084 0.000 0.936 138 K CB -0.938 31.528 32.500 -0.058 0.000 0.722 138 K HN 0.631 nan 8.250 nan 0.000 0.446 139 S N 0.758 116.450 115.700 -0.012 0.000 2.474 139 S HA -0.046 4.424 4.470 0.001 0.000 0.235 139 S C 1.428 176.044 174.600 0.027 0.000 0.997 139 S CA 0.336 58.545 58.200 0.015 0.000 0.949 139 S CB 0.012 63.228 63.200 0.028 0.000 0.766 139 S HN 0.106 nan 8.310 nan 0.000 0.517 140 R N 0.997 121.511 120.500 0.024 0.000 2.310 140 R HA 0.296 4.636 4.340 0.001 0.000 0.202 140 R C 1.581 177.912 176.300 0.053 0.000 0.933 140 R CA 0.410 56.541 56.100 0.051 0.000 1.054 140 R CB -1.344 29.000 30.300 0.075 0.000 0.985 140 R HN 0.625 nan 8.270 nan 0.000 0.489 141 G N 1.408 110.231 108.800 0.038 0.000 2.147 141 G HA2 -0.272 3.689 3.960 0.001 0.000 0.244 141 G HA3 -0.272 3.689 3.960 0.001 0.000 0.244 141 G C -0.114 174.824 174.900 0.064 0.000 1.005 141 G CA -0.057 45.073 45.100 0.050 0.000 0.713 141 G HN 0.258 nan 8.290 nan 0.000 0.515 142 L N 0.132 121.381 121.223 0.043 0.000 2.290 142 L HA 0.464 4.804 4.340 0.001 0.000 0.284 142 L C 0.854 177.762 176.870 0.065 0.000 1.078 142 L CA -1.280 53.592 54.840 0.053 0.000 0.815 142 L CB 0.682 42.746 42.059 0.009 0.000 1.162 142 L HN 0.228 nan 8.230 nan 0.000 0.435 143 Y N 3.865 124.136 120.300 -0.050 0.000 2.511 143 Y HA 0.106 4.657 4.550 0.001 0.000 0.332 143 Y C -0.495 175.371 175.900 -0.056 0.000 1.177 143 Y CA 0.120 58.183 58.100 -0.062 0.000 1.422 143 Y CB 0.514 38.918 38.460 -0.093 0.000 1.271 143 Y HN 0.369 nan 8.280 nan 0.000 0.550 144 F N 7.857 127.506 119.950 -0.502 0.000 2.403 144 F HA 0.465 4.992 4.527 0.000 0.000 0.355 144 F C -1.173 174.289 175.800 -0.563 0.000 1.119 144 F CA -2.031 55.677 58.000 -0.486 0.000 1.007 144 F CB 0.269 38.993 39.000 -0.458 0.000 1.194 144 F HN 0.328 nan 8.300 nan 0.000 0.443 145 I N 7.367 127.618 120.570 -0.532 0.000 2.297 145 I HA 0.181 4.351 4.170 0.001 0.000 0.291 145 I C -0.819 174.771 176.117 -0.878 0.000 1.033 145 I CA -0.866 60.052 61.300 -0.637 0.000 1.253 145 I CB 1.207 38.973 38.000 -0.389 0.000 1.396 145 I HN 0.361 nan 8.210 nan 0.000 0.476 146 L N 7.745 128.297 121.223 -1.119 0.000 2.260 146 L HA 0.393 4.733 4.340 0.001 0.000 0.289 146 L C -0.232 176.488 176.870 -0.250 0.000 1.057 146 L CA 0.071 54.367 54.840 -0.906 0.000 0.811 146 L CB 0.736 42.177 42.059 -1.031 0.000 1.184 146 L HN 0.513 nan 8.230 nan 0.000 0.429 147 N N 4.366 123.024 118.700 -0.070 0.000 2.473 147 N HA 0.278 5.019 4.740 0.001 0.000 0.291 147 N C 0.570 176.208 175.510 0.213 0.000 1.083 147 N CA -0.435 52.690 53.050 0.124 0.000 0.951 147 N CB 1.036 39.622 38.487 0.165 0.000 1.164 147 N HN 0.558 nan 8.380 nan 0.000 0.480 148 M N 1.462 121.253 119.600 0.317 0.000 2.435 148 M HA 0.104 4.584 4.480 0.001 0.000 0.265 148 M C -0.502 176.256 176.300 0.762 0.000 1.104 148 M CA 0.758 56.317 55.300 0.432 0.000 1.140 148 M CB -0.821 31.968 32.600 0.315 0.000 1.372 148 M HN 0.612 nan 8.290 nan 0.000 0.456 149 Y N -0.560 120.062 120.300 0.537 0.000 2.441 149 Y HA 0.341 4.891 4.550 0.001 0.000 0.334 149 Y C -0.839 175.318 175.900 0.429 0.000 1.061 149 Y CA -1.323 57.104 58.100 0.545 0.000 1.032 149 Y CB 0.930 39.684 38.460 0.491 0.000 1.266 149 Y HN 0.245 nan 8.280 nan 0.000 0.441 150 H N 6.482 125.394 119.070 -0.264 0.000 2.901 150 H HA 0.245 4.802 4.556 0.001 0.000 0.227 150 H C -0.815 174.221 175.328 -0.487 0.000 1.390 150 H CA -0.188 55.608 56.048 -0.419 0.000 1.120 150 H CB 0.110 29.770 29.762 -0.169 0.000 2.131 150 H HN 0.787 nan 8.280 nan 0.000 0.549 151 W N -3.051 117.705 121.300 -0.907 0.000 0.243 151 W HA -0.185 4.476 4.660 0.001 0.000 0.214 151 W C -2.383 174.207 176.519 0.119 0.000 0.913 151 W CA 0.294 57.362 57.345 -0.462 0.000 0.324 151 W CB -2.615 26.601 29.460 -0.406 0.000 1.905 151 W HN 0.328 nan 8.180 nan 0.000 1.026 152 P HA 0.282 nan 4.420 nan 0.000 0.267 152 P C 0.133 177.694 177.300 0.436 0.000 1.205 152 P CA 0.696 64.052 63.100 0.427 0.000 0.765 152 P CB 0.311 32.130 31.700 0.200 0.000 0.828 153 L N 6.128 127.501 121.223 0.250 0.000 2.331 153 L HA 0.496 4.836 4.340 0.001 0.000 0.275 153 L C -2.161 174.537 176.870 -0.287 0.000 1.022 153 L CA -2.802 51.978 54.840 -0.100 0.000 0.812 153 L CB 1.473 43.355 42.059 -0.295 0.000 1.257 153 L HN 0.151 nan 8.230 nan 0.000 0.435 154 P HA -0.006 nan 4.420 nan 0.000 0.264 154 P C 0.771 177.777 177.300 -0.489 0.000 1.183 154 P CA 0.140 62.894 63.100 -0.577 0.000 0.763 154 P CB 0.549 31.585 31.700 -1.106 0.000 0.807 155 L N 2.760 123.870 121.223 -0.189 0.000 2.189 155 L HA -0.153 4.187 4.340 0.001 0.000 0.214 155 L C 2.043 178.865 176.870 -0.080 0.000 1.097 155 L CA 1.287 56.068 54.840 -0.098 0.000 0.764 155 L CB -0.650 41.412 42.059 0.005 0.000 0.900 155 L HN 0.648 nan 8.230 nan 0.000 0.436 156 W N -1.127 120.100 121.300 -0.121 0.000 2.699 156 W HA -0.026 4.634 4.660 0.001 0.000 0.249 156 W C 1.244 177.680 176.519 -0.139 0.000 1.280 156 W CA 0.240 57.519 57.345 -0.110 0.000 1.345 156 W CB -0.532 28.870 29.460 -0.097 0.000 1.128 156 W HN 0.182 nan 8.180 nan 0.000 0.642 157 L N -0.391 120.453 121.223 -0.631 0.000 2.556 157 L HA 0.259 4.600 4.340 0.001 0.000 0.226 157 L C 0.289 176.977 176.870 -0.303 0.000 1.089 157 L CA 0.532 55.004 54.840 -0.614 0.000 0.864 157 L CB -0.140 41.250 42.059 -1.115 0.000 1.067 157 L HN -0.004 nan 8.230 nan 0.000 0.477 158 H N -0.083 118.779 119.070 -0.347 0.000 3.240 158 H HA 0.096 4.652 4.556 0.001 0.000 0.329 158 H C -1.611 173.628 175.328 -0.148 0.000 1.024 158 H CA -0.622 55.284 56.048 -0.236 0.000 1.487 158 H CB 1.635 31.230 29.762 -0.278 0.000 1.909 158 H HN -0.138 nan 8.280 nan 0.000 0.465 159 D N 7.569 127.873 120.400 -0.160 0.000 2.467 159 D HA 0.135 4.776 4.640 0.001 0.000 0.220 159 D C -1.730 174.353 176.300 -0.362 0.000 1.103 159 D CA -2.479 51.393 54.000 -0.213 0.000 0.886 159 D CB 1.803 42.549 40.800 -0.089 0.000 1.025 159 D HN 0.344 nan 8.370 nan 0.000 0.514 160 P HA -0.071 nan 4.420 nan 0.000 0.225 160 P C 1.563 178.827 177.300 -0.060 0.000 1.156 160 P CA 0.200 62.992 63.100 -0.513 0.000 0.787 160 P CB 0.677 32.071 31.700 -0.510 0.000 0.802 161 I N 0.308 120.873 120.570 -0.007 0.000 2.286 161 I HA -0.093 4.078 4.170 0.001 0.000 0.245 161 I C 2.790 178.886 176.117 -0.036 0.000 1.104 161 I CA 0.983 62.297 61.300 0.022 0.000 1.397 161 I CB -1.475 36.515 38.000 -0.018 0.000 1.072 161 I HN -0.033 nan 8.210 nan 0.000 0.417 162 R N 0.751 121.203 120.500 -0.080 0.000 2.096 162 R HA -0.156 4.185 4.340 0.001 0.000 0.240 162 R C 2.385 178.559 176.300 -0.210 0.000 1.139 162 R CA 1.676 57.704 56.100 -0.119 0.000 0.952 162 R CB -0.160 30.072 30.300 -0.113 0.000 0.854 162 R HN 0.156 nan 8.270 nan 0.000 0.436 163 V N 0.669 120.446 119.914 -0.228 0.000 2.358 163 V HA -0.231 3.889 4.120 0.001 0.000 0.246 163 V C 2.486 178.444 176.094 -0.226 0.000 1.047 163 V CA 1.952 64.016 62.300 -0.394 0.000 1.035 163 V CB -0.648 31.076 31.823 -0.165 0.000 0.658 163 V HN 0.398 nan 8.190 nan 0.000 0.452 164 R N 0.303 120.810 120.500 0.012 0.000 2.103 164 R HA -0.207 4.134 4.340 0.001 0.000 0.242 164 R C 2.337 178.721 176.300 0.141 0.000 1.142 164 R CA 1.852 58.054 56.100 0.170 0.000 0.960 164 R CB -0.181 30.256 30.300 0.229 0.000 0.858 164 R HN 0.415 nan 8.270 nan 0.000 0.439 165 R N -1.160 119.351 120.500 0.018 0.000 2.323 165 R HA 0.027 4.368 4.340 0.001 0.000 0.198 165 R C 0.914 177.217 176.300 0.004 0.000 0.988 165 R CA 0.601 56.707 56.100 0.010 0.000 1.041 165 R CB 0.303 30.584 30.300 -0.032 0.000 0.926 165 R HN 0.563 nan 8.270 nan 0.000 0.476 166 G N 1.425 110.165 108.800 -0.100 0.000 2.132 166 G HA2 -0.242 3.719 3.960 0.001 0.000 0.228 166 G HA3 -0.242 3.719 3.960 0.001 0.000 0.228 166 G C -0.661 174.053 174.900 -0.311 0.000 1.000 166 G CA 0.108 45.133 45.100 -0.126 0.000 0.693 166 G HN 0.371 nan 8.290 nan 0.000 0.515 167 D N -0.347 119.764 120.400 -0.481 0.000 2.427 167 D HA 0.560 5.201 4.640 0.001 0.000 0.226 167 D C 0.493 176.499 176.300 -0.489 0.000 1.076 167 D CA -0.982 52.838 54.000 -0.299 0.000 0.849 167 D CB 0.074 40.779 40.800 -0.160 0.000 1.052 167 D HN 0.027 nan 8.370 nan 0.000 0.515 168 F N 1.532 121.445 119.950 -0.061 0.000 2.668 168 F HA 0.094 4.621 4.527 0.001 0.000 0.297 168 F C 2.215 177.997 175.800 -0.030 0.000 1.124 168 F CA -0.083 57.880 58.000 -0.061 0.000 1.353 168 F CB 0.343 39.289 39.000 -0.090 0.000 0.992 168 F HN 0.342 nan 8.300 nan 0.000 0.524 169 T N -3.238 111.354 114.554 0.063 0.000 3.081 169 T HA 0.294 4.644 4.350 0.001 0.000 0.255 169 T C 1.230 175.950 174.700 0.033 0.000 1.113 169 T CA 0.410 62.540 62.100 0.050 0.000 1.082 169 T CB -0.110 68.776 68.868 0.031 0.000 0.939 169 T HN 0.171 nan 8.240 nan 0.000 0.506 170 G N 1.715 110.524 108.800 0.015 0.000 2.671 170 G HA2 0.604 4.565 3.960 0.001 0.000 0.275 170 G HA3 0.604 4.565 3.960 0.001 0.000 0.275 170 G C -2.874 172.045 174.900 0.032 0.000 1.368 170 G CA -1.957 43.152 45.100 0.014 0.000 1.044 170 G HN 0.122 nan 8.290 nan 0.000 0.543 171 P HA 0.169 nan 4.420 nan 0.000 0.271 171 P C 0.293 177.634 177.300 0.068 0.000 1.233 171 P CA 0.006 63.122 63.100 0.026 0.000 0.764 171 P CB 1.224 32.927 31.700 0.006 0.000 0.825 172 S N 1.926 117.655 115.700 0.048 0.000 2.602 172 S HA 0.438 4.909 4.470 0.001 0.000 0.240 172 S C 1.164 175.688 174.600 -0.126 0.000 0.992 172 S CA 0.074 58.329 58.200 0.092 0.000 0.971 172 S CB -0.789 62.490 63.200 0.132 0.000 0.855 172 S HN 0.669 nan 8.310 nan 0.000 0.481 173 G N 1.936 110.535 108.800 -0.335 0.000 2.583 173 G HA2 -0.358 3.602 3.960 0.001 0.000 0.292 173 G HA3 -0.358 3.602 3.960 0.001 0.000 0.292 173 G C 0.330 174.897 174.900 -0.555 0.000 1.203 173 G CA 0.305 44.953 45.100 -0.753 0.000 0.987 173 G HN 0.575 nan 8.290 nan 0.000 0.554 174 W N 1.111 122.269 121.300 -0.237 0.000 2.721 174 W HA 0.335 4.995 4.660 0.001 0.000 0.245 174 W C 2.364 178.835 176.519 -0.080 0.000 1.276 174 W CA 0.350 57.628 57.345 -0.112 0.000 1.342 174 W CB -0.218 29.201 29.460 -0.069 0.000 1.135 174 W HN 0.295 nan 8.180 nan 0.000 0.654 175 L N -0.080 121.179 121.223 0.061 0.000 2.610 175 L HA 0.048 4.388 4.340 0.001 0.000 0.232 175 L C 1.212 178.114 176.870 0.054 0.000 1.149 175 L CA 0.375 55.237 54.840 0.035 0.000 0.872 175 L CB -0.516 41.563 42.059 0.034 0.000 0.992 175 L HN -0.225 nan 8.230 nan 0.000 0.447 176 S N -0.945 114.787 115.700 0.052 0.000 2.502 176 S HA 0.232 4.702 4.470 0.001 0.000 0.304 176 S C 1.153 175.837 174.600 0.141 0.000 1.097 176 S CA -0.353 57.893 58.200 0.077 0.000 1.045 176 S CB 1.481 64.707 63.200 0.042 0.000 1.019 176 S HN 0.297 nan 8.310 nan 0.000 0.481 177 T N 2.692 117.372 114.554 0.210 0.000 2.977 177 T HA -0.105 4.245 4.350 0.001 0.000 0.271 177 T C 1.732 176.660 174.700 0.379 0.000 1.105 177 T CA 1.018 63.309 62.100 0.318 0.000 1.116 177 T CB -0.320 68.767 68.868 0.365 0.000 0.878 177 T HN 0.615 nan 8.240 nan 0.000 0.509 178 R N 1.702 122.404 120.500 0.338 0.000 2.091 178 R HA -0.068 4.272 4.340 0.001 0.000 0.238 178 R C 2.329 178.678 176.300 0.082 0.000 1.136 178 R CA 2.164 58.365 56.100 0.168 0.000 0.959 178 R CB -1.311 29.091 30.300 0.170 0.000 0.856 178 R HN 0.437 nan 8.270 nan 0.000 0.437 179 T N -0.159 114.398 114.554 0.005 0.000 2.788 179 T HA -0.103 4.247 4.350 0.001 0.000 0.268 179 T C 1.797 176.570 174.700 0.122 0.000 1.044 179 T CA 1.455 63.483 62.100 -0.120 0.000 1.139 179 T CB -0.266 68.289 68.868 -0.521 0.000 0.867 179 T HN 0.033 nan 8.240 nan 0.000 0.454 180 V N 0.455 120.507 119.914 0.229 0.000 2.295 180 V HA -0.173 3.947 4.120 0.001 0.000 0.246 180 V C 2.020 178.266 176.094 0.253 0.000 1.049 180 V CA 1.617 64.122 62.300 0.341 0.000 1.024 180 V CB -0.718 31.285 31.823 0.301 0.000 0.648 180 V HN 0.498 nan 8.190 nan 0.000 0.447 181 Y N 1.215 121.528 120.300 0.021 0.000 2.145 181 Y HA -0.212 4.338 4.550 0.001 0.000 0.286 181 Y C 2.652 178.525 175.900 -0.044 0.000 1.145 181 Y CA 2.009 60.032 58.100 -0.129 0.000 1.148 181 Y CB -0.093 38.035 38.460 -0.553 0.000 0.981 181 Y HN 0.244 nan 8.280 nan 0.000 0.507 182 E N -0.426 119.910 120.200 0.227 0.000 2.106 182 E HA -0.207 4.143 4.350 0.001 0.000 0.192 182 E C 2.090 178.823 176.600 0.222 0.000 0.984 182 E CA 1.106 57.675 56.400 0.281 0.000 0.806 182 E CB -0.785 29.184 29.700 0.449 0.000 0.750 182 E HN 0.541 nan 8.360 nan 0.000 0.458 183 F N 1.924 121.921 119.950 0.078 0.000 2.102 183 F HA -0.164 4.363 4.527 0.001 0.000 0.298 183 F C 2.295 178.000 175.800 -0.158 0.000 1.105 183 F CA 1.271 59.134 58.000 -0.228 0.000 1.239 183 F CB -0.551 38.468 39.000 0.031 0.000 0.991 183 F HN -0.022 nan 8.300 nan 0.000 0.474 184 A N 0.727 123.431 122.820 -0.194 0.000 1.884 184 A HA -0.286 4.034 4.320 0.001 0.000 0.219 184 A C 2.360 179.719 177.584 -0.375 0.000 1.197 184 A CA 2.330 54.167 52.037 -0.333 0.000 0.637 184 A CB -0.895 17.942 19.000 -0.271 0.000 0.827 184 A HN 0.483 nan 8.150 nan 0.000 0.450 185 R N -2.107 118.190 120.500 -0.338 0.000 2.081 185 R HA -0.099 4.241 4.340 0.001 0.000 0.235 185 R C 2.033 178.240 176.300 -0.154 0.000 1.131 185 R CA 1.534 57.477 56.100 -0.261 0.000 0.960 185 R CB -0.528 29.632 30.300 -0.232 0.000 0.856 185 R HN 0.611 nan 8.270 nan 0.000 0.436 186 F N 1.448 121.188 119.950 -0.349 0.000 2.102 186 F HA -0.192 4.336 4.527 0.001 0.000 0.298 186 F C 2.098 177.759 175.800 -0.231 0.000 1.105 186 F CA 1.584 59.405 58.000 -0.299 0.000 1.239 186 F CB -0.335 38.188 39.000 -0.796 0.000 0.991 186 F HN -0.148 nan 8.300 nan 0.000 0.474 187 S N 0.633 115.931 115.700 -0.670 0.000 2.355 187 S HA -0.127 4.343 4.470 0.001 0.000 0.222 187 S C 2.364 176.687 174.600 -0.461 0.000 1.031 187 S CA 1.049 58.829 58.200 -0.700 0.000 0.993 187 S CB -0.978 61.758 63.200 -0.773 0.000 0.859 187 S HN 0.553 nan 8.310 nan 0.000 0.453 188 A N 0.760 123.369 122.820 -0.352 0.000 1.883 188 A HA -0.177 4.143 4.320 0.001 0.000 0.217 188 A C 1.966 179.489 177.584 -0.102 0.000 1.186 188 A CA 1.864 53.757 52.037 -0.240 0.000 0.624 188 A CB -1.080 17.787 19.000 -0.221 0.000 0.822 188 A HN 0.593 nan 8.150 nan 0.000 0.444 189 Y N 0.570 120.786 120.300 -0.141 0.000 2.128 189 Y HA -0.221 4.330 4.550 0.001 0.000 0.284 189 Y C 2.096 178.081 175.900 0.142 0.000 1.154 189 Y CA 1.831 59.978 58.100 0.078 0.000 1.149 189 Y CB -0.135 38.434 38.460 0.183 0.000 0.976 189 Y HN 0.245 nan 8.280 nan 0.000 0.505 190 I N 0.434 120.952 120.570 -0.088 0.000 2.226 190 I HA -0.285 3.885 4.170 0.001 0.000 0.245 190 I C 2.689 178.860 176.117 0.089 0.000 1.100 190 I CA 1.492 62.779 61.300 -0.021 0.000 1.374 190 I CB -1.965 35.901 38.000 -0.224 0.000 1.057 190 I HN 0.386 nan 8.210 nan 0.000 0.413 191 A N 0.079 122.861 122.820 -0.064 0.000 1.908 191 A HA -0.282 4.038 4.320 0.001 0.000 0.218 191 A C 2.222 179.846 177.584 0.066 0.000 1.181 191 A CA 1.826 53.831 52.037 -0.053 0.000 0.627 191 A CB -1.324 17.424 19.000 -0.421 0.000 0.818 191 A HN 0.592 nan 8.150 nan 0.000 0.445 192 W N 0.962 122.151 121.300 -0.185 0.000 2.338 192 W HA -0.149 4.511 4.660 0.001 0.000 0.304 192 W C 1.879 178.263 176.519 -0.224 0.000 1.212 192 W CA 2.081 59.315 57.345 -0.185 0.000 1.264 192 W CB 0.086 29.429 29.460 -0.196 0.000 1.142 192 W HN 0.142 nan 8.180 nan 0.000 0.512 193 K N -0.968 119.233 120.400 -0.332 0.000 2.228 193 K HA -0.029 4.291 4.320 0.001 0.000 0.202 193 K C 1.356 177.585 176.600 -0.618 0.000 1.051 193 K CA 1.069 56.958 56.287 -0.663 0.000 0.960 193 K CB -0.668 31.339 32.500 -0.821 0.000 0.743 193 K HN 0.228 nan 8.250 nan 0.000 0.458 194 F N 0.147 120.066 119.950 -0.051 0.000 2.706 194 F HA 0.109 4.636 4.527 0.000 0.000 0.313 194 F C 1.487 177.323 175.800 0.060 0.000 1.096 194 F CA -0.546 57.490 58.000 0.059 0.000 1.219 194 F CB 0.218 39.328 39.000 0.183 0.000 1.051 194 F HN -0.080 nan 8.300 nan 0.000 0.568 195 D N 1.155 121.665 120.400 0.183 0.000 2.239 195 D HA -0.226 4.415 4.640 0.001 0.000 0.202 195 D C 1.923 178.263 176.300 0.066 0.000 0.993 195 D CA 1.874 55.971 54.000 0.162 0.000 0.874 195 D CB -0.035 40.847 40.800 0.137 0.000 0.922 195 D HN 0.366 nan 8.370 nan 0.000 0.464 196 D N -0.383 120.040 120.400 0.040 0.000 2.310 196 D HA -0.152 4.488 4.640 0.001 0.000 0.212 196 D C 1.920 178.247 176.300 0.045 0.000 0.965 196 D CA 0.561 54.573 54.000 0.020 0.000 0.879 196 D CB -0.284 40.510 40.800 -0.010 0.000 0.921 196 D HN 0.374 nan 8.370 nan 0.000 0.510 197 L N 0.189 121.479 121.223 0.111 0.000 2.609 197 L HA 0.176 4.516 4.340 0.001 0.000 0.230 197 L C 0.577 177.521 176.870 0.123 0.000 1.087 197 L CA -0.097 54.833 54.840 0.149 0.000 0.874 197 L CB 0.807 43.046 42.059 0.300 0.000 1.114 197 L HN -0.182 nan 8.230 nan 0.000 0.488 198 V N 0.576 120.473 119.914 -0.029 0.000 2.509 198 V HA 0.097 4.218 4.120 0.001 0.000 0.284 198 V C 0.478 176.313 176.094 -0.432 0.000 1.047 198 V CA -0.235 61.848 62.300 -0.362 0.000 0.952 198 V CB 1.755 33.121 31.823 -0.761 0.000 0.988 198 V HN 0.154 nan 8.190 nan 0.000 0.469 199 D N 2.037 122.077 120.400 -0.600 0.000 2.269 199 D HA 0.132 4.772 4.640 0.001 0.000 0.220 199 D C 0.420 176.389 176.300 -0.551 0.000 0.962 199 D CA 0.740 54.337 54.000 -0.671 0.000 0.884 199 D CB 0.916 40.917 40.800 -1.332 0.000 1.023 199 D HN 0.684 nan 8.370 nan 0.000 0.484 200 E N -0.809 119.025 120.200 -0.611 0.000 2.416 200 E HA 0.432 4.783 4.350 0.001 0.000 0.273 200 E C -1.357 175.009 176.600 -0.389 0.000 0.935 200 E CA -0.704 55.513 56.400 -0.305 0.000 0.784 200 E CB 2.151 31.776 29.700 -0.125 0.000 1.301 200 E HN -0.076 nan 8.360 nan 0.000 0.454 201 Y N 0.062 120.446 120.300 0.141 0.000 2.468 201 Y HA 0.434 4.984 4.550 0.001 0.000 0.342 201 Y C 0.127 176.177 175.900 0.250 0.000 1.021 201 Y CA -0.600 57.543 58.100 0.071 0.000 1.079 201 Y CB 2.394 40.846 38.460 -0.014 0.000 1.226 201 Y HN 0.328 nan 8.280 nan 0.000 0.460 202 S N -0.066 115.811 115.700 0.295 0.000 2.503 202 S HA 0.332 4.802 4.470 0.001 0.000 0.301 202 S C 0.778 175.486 174.600 0.180 0.000 1.087 202 S CA -0.100 58.179 58.200 0.131 0.000 1.042 202 S CB 0.946 64.208 63.200 0.104 0.000 1.043 202 S HN 0.836 nan 8.310 nan 0.000 0.489 203 T N 2.712 117.384 114.554 0.196 0.000 2.770 203 T HA 0.260 4.610 4.350 0.001 0.000 0.258 203 T C 0.686 175.676 174.700 0.483 0.000 1.039 203 T CA 0.702 63.007 62.100 0.343 0.000 1.143 203 T CB -0.272 68.877 68.868 0.469 0.000 0.866 203 T HN 0.591 nan 8.240 nan 0.000 0.428 204 M N 0.715 120.515 119.600 0.333 0.000 2.593 204 M HA 0.442 4.922 4.480 0.001 0.000 0.290 204 M C -1.448 174.938 176.300 0.144 0.000 1.244 204 M CA -0.822 54.678 55.300 0.332 0.000 0.857 204 M CB 2.484 35.246 32.600 0.270 0.000 1.738 204 M HN 0.053 nan 8.290 nan 0.000 0.461 205 N N 0.844 119.587 118.700 0.072 0.000 2.444 205 N HA 0.237 4.978 4.740 0.001 0.000 0.262 205 N C -1.176 174.340 175.510 0.010 0.000 0.974 205 N CA -0.099 52.868 53.050 -0.138 0.000 0.933 205 N CB 0.784 38.871 38.487 -0.666 0.000 1.137 205 N HN 0.665 nan 8.380 nan 0.000 0.498 206 E N 1.930 122.103 120.200 -0.044 0.000 2.222 206 E HA -0.173 4.177 4.350 0.001 0.000 0.189 206 E C -1.767 174.743 176.600 -0.150 0.000 1.415 206 E CA 0.049 56.378 56.400 -0.117 0.000 0.689 206 E CB -0.635 29.086 29.700 0.036 0.000 1.107 206 E HN 0.679 nan 8.360 nan 0.000 0.350 207 P HA -0.232 nan 4.420 nan 0.000 0.218 207 P C 1.092 178.200 177.300 -0.320 0.000 1.149 207 P CA 1.581 64.535 63.100 -0.242 0.000 0.817 207 P CB 0.005 31.574 31.700 -0.217 0.000 0.785 208 N N 0.426 118.832 118.700 -0.490 0.000 2.223 208 N HA -0.094 4.647 4.740 0.001 0.000 0.185 208 N C 1.633 176.953 175.510 -0.317 0.000 1.016 208 N CA 1.103 53.929 53.050 -0.372 0.000 0.863 208 N CB -1.710 36.450 38.487 -0.545 0.000 0.983 208 N HN 0.083 nan 8.380 nan 0.000 0.429 209 V N 0.785 120.448 119.914 -0.418 0.000 2.379 209 V HA -0.113 4.007 4.120 0.001 0.000 0.245 209 V C 2.644 178.426 176.094 -0.519 0.000 1.044 209 V CA 0.838 62.841 62.300 -0.495 0.000 1.036 209 V CB -0.417 31.067 31.823 -0.564 0.000 0.664 209 V HN 0.100 nan 8.190 nan 0.000 0.453 210 V N 1.168 120.763 119.914 -0.533 0.000 2.252 210 V HA -0.246 3.874 4.120 0.001 0.000 0.249 210 V C 2.614 178.652 176.094 -0.092 0.000 1.056 210 V CA 2.521 64.609 62.300 -0.353 0.000 1.022 210 V CB -1.414 30.280 31.823 -0.216 0.000 0.641 210 V HN 0.606 nan 8.190 nan 0.000 0.445 211 G N -0.619 108.158 108.800 -0.038 0.000 2.394 211 G HA2 -0.070 3.890 3.960 0.001 0.000 0.215 211 G HA3 -0.070 3.890 3.960 0.001 0.000 0.215 211 G C 1.611 176.602 174.900 0.152 0.000 1.165 211 G CA 0.856 46.047 45.100 0.153 0.000 0.784 211 G HN 0.593 nan 8.290 nan 0.000 0.535 212 G N 0.911 109.707 108.800 -0.006 0.000 2.433 212 G HA2 -0.137 3.823 3.960 0.001 0.000 0.216 212 G HA3 -0.137 3.823 3.960 0.001 0.000 0.216 212 G C 1.765 176.611 174.900 -0.090 0.000 1.186 212 G CA 0.721 45.802 45.100 -0.032 0.000 0.779 212 G HN 0.388 nan 8.290 nan 0.000 0.543 213 L N 0.742 121.819 121.223 -0.244 0.000 2.179 213 L HA 0.104 4.444 4.340 0.001 0.000 0.208 213 L C 3.132 179.879 176.870 -0.205 0.000 1.096 213 L CA 0.670 55.311 54.840 -0.332 0.000 0.779 213 L CB -0.590 40.981 42.059 -0.814 0.000 0.922 213 L HN 0.341 nan 8.230 nan 0.000 0.443 214 G N -0.536 108.149 108.800 -0.192 0.000 2.422 214 G HA2 -0.262 3.699 3.960 0.001 0.000 0.218 214 G HA3 -0.262 3.699 3.960 0.001 0.000 0.218 214 G C 1.016 175.564 174.900 -0.586 0.000 1.146 214 G CA 0.820 45.660 45.100 -0.433 0.000 0.769 214 G HN 0.414 nan 8.290 nan 0.000 0.547 215 Y N -2.035 118.279 120.300 0.023 0.000 2.563 215 Y HA 0.410 4.961 4.550 0.001 0.000 0.250 215 Y C 1.593 177.520 175.900 0.045 0.000 1.126 215 Y CA -0.305 57.841 58.100 0.076 0.000 1.231 215 Y CB 0.973 39.506 38.460 0.122 0.000 1.288 215 Y HN 0.034 nan 8.280 nan 0.000 0.537 216 V N -1.937 118.050 119.914 0.121 0.000 3.279 216 V HA 0.260 4.380 4.120 0.001 0.000 0.213 216 V C 1.619 177.726 176.094 0.023 0.000 1.335 216 V CA 0.604 62.962 62.300 0.096 0.000 1.317 216 V CB -0.230 31.703 31.823 0.184 0.000 1.209 216 V HN 0.202 nan 8.190 nan 0.000 0.525 217 G N 1.610 110.399 108.800 -0.019 0.000 3.197 217 G HA2 0.270 4.230 3.960 0.001 0.000 0.257 217 G HA3 0.270 4.230 3.960 0.001 0.000 0.257 217 G C 1.111 175.980 174.900 -0.051 0.000 0.835 217 G CA 0.669 45.738 45.100 -0.052 0.000 2.001 217 G HN 0.501 nan 8.290 nan 0.000 0.625 218 V N -1.261 118.643 119.914 -0.017 0.000 2.913 218 V HA -0.008 4.112 4.120 0.001 0.000 0.260 218 V C 2.197 178.328 176.094 0.061 0.000 1.098 218 V CA 1.289 63.598 62.300 0.015 0.000 1.121 218 V CB -0.332 31.493 31.823 0.004 0.000 0.714 218 V HN 0.425 nan 8.190 nan 0.000 0.487 219 K N 1.984 122.410 120.400 0.044 0.000 2.442 219 K HA -0.034 4.287 4.320 0.001 0.000 0.198 219 K C 2.257 178.924 176.600 0.111 0.000 1.042 219 K CA 1.304 57.634 56.287 0.072 0.000 0.958 219 K CB -0.226 32.307 32.500 0.055 0.000 0.766 219 K HN 0.770 nan 8.250 nan 0.000 0.474 220 S N -0.055 115.698 115.700 0.088 0.000 2.515 220 S HA 0.002 4.473 4.470 0.001 0.000 0.231 220 S C 1.392 176.213 174.600 0.369 0.000 0.987 220 S CA 0.454 58.735 58.200 0.136 0.000 0.936 220 S CB -0.211 62.920 63.200 -0.115 0.000 0.766 220 S HN 0.385 nan 8.310 nan 0.000 0.528 221 G N 0.637 109.658 108.800 0.368 0.000 2.246 221 G HA2 -0.228 3.732 3.960 0.001 0.000 0.273 221 G HA3 -0.228 3.732 3.960 0.001 0.000 0.273 221 G C -0.317 174.998 174.900 0.692 0.000 1.055 221 G CA -0.005 45.420 45.100 0.541 0.000 0.851 221 G HN 0.423 nan 8.290 nan 0.000 0.500 222 F N 1.302 121.257 119.950 0.009 0.000 2.399 222 F HA 0.553 5.080 4.527 0.001 0.000 0.334 222 F C -1.241 173.874 175.800 -1.142 0.000 1.097 222 F CA -2.875 54.847 58.000 -0.465 0.000 1.076 222 F CB 1.756 40.580 39.000 -0.293 0.000 1.162 222 F HN -0.056 nan 8.300 nan 0.000 0.495 223 P HA 0.158 nan 4.420 nan 0.000 0.275 223 P C -2.445 174.295 177.300 -0.934 0.000 1.228 223 P CA -1.459 60.385 63.100 -2.092 0.000 0.786 223 P CB 1.120 31.607 31.700 -2.022 0.000 0.927 224 P HA 0.050 nan 4.420 nan 0.000 0.255 224 P C 0.813 177.925 177.300 -0.313 0.000 1.248 224 P CA 0.433 63.192 63.100 -0.569 0.000 0.807 224 P CB -0.313 31.322 31.700 -0.108 0.000 1.150 225 G N 0.349 108.932 108.800 -0.361 0.000 2.323 225 G HA2 -0.297 3.663 3.960 0.001 0.000 0.292 225 G HA3 -0.297 3.663 3.960 0.001 0.000 0.292 225 G C -0.604 174.354 174.900 0.097 0.000 1.040 225 G CA -0.053 45.040 45.100 -0.011 0.000 0.942 225 G HN 0.484 nan 8.290 nan 0.000 0.506 226 Y N -0.094 120.172 120.300 -0.057 0.000 2.342 226 Y HA 0.588 5.139 4.550 0.001 0.000 0.338 226 Y C 0.182 176.159 175.900 0.128 0.000 0.965 226 Y CA -1.811 56.343 58.100 0.090 0.000 1.159 226 Y CB 1.102 39.696 38.460 0.223 0.000 1.157 226 Y HN 0.245 nan 8.280 nan 0.000 0.486 227 L N 6.346 127.361 121.223 -0.347 0.000 2.407 227 L HA 0.424 4.765 4.340 0.001 0.000 0.282 227 L C -0.570 176.147 176.870 -0.255 0.000 1.110 227 L CA 0.470 55.169 54.840 -0.235 0.000 0.863 227 L CB -0.032 41.871 42.059 -0.259 0.000 1.207 227 L HN 0.607 nan 8.230 nan 0.000 0.454 228 S N 4.164 119.853 115.700 -0.018 0.000 2.599 228 S HA 0.324 4.794 4.470 0.001 0.000 0.269 228 S C 0.713 175.385 174.600 0.119 0.000 1.135 228 S CA -0.589 57.630 58.200 0.032 0.000 1.027 228 S CB 0.078 63.446 63.200 0.281 0.000 1.129 228 S HN 0.399 nan 8.310 nan 0.000 0.458 229 F N 2.729 122.693 119.950 0.024 0.000 2.091 229 F HA -0.041 4.486 4.527 0.001 0.000 0.299 229 F C 2.530 178.311 175.800 -0.031 0.000 1.103 229 F CA 1.916 59.909 58.000 -0.011 0.000 1.228 229 F CB -0.619 38.358 39.000 -0.038 0.000 0.984 229 F HN 0.797 nan 8.300 nan 0.000 0.477 230 E N 0.454 120.754 120.200 0.167 0.000 2.085 230 E HA -0.205 4.146 4.350 0.001 0.000 0.194 230 E C 2.234 178.824 176.600 -0.016 0.000 0.994 230 E CA 1.207 57.634 56.400 0.045 0.000 0.801 230 E CB -0.237 29.471 29.700 0.013 0.000 0.743 230 E HN 0.399 nan 8.360 nan 0.000 0.453 231 L N 0.294 121.510 121.223 -0.011 0.000 2.156 231 L HA -0.090 4.250 4.340 0.001 0.000 0.208 231 L C 2.758 179.431 176.870 -0.328 0.000 1.095 231 L CA 0.760 55.506 54.840 -0.158 0.000 0.770 231 L CB -0.379 41.622 42.059 -0.096 0.000 0.914 231 L HN 0.152 nan 8.230 nan 0.000 0.439 232 S N 0.195 115.822 115.700 -0.122 0.000 2.368 232 S HA -0.183 4.287 4.470 0.001 0.000 0.225 232 S C 2.161 176.734 174.600 -0.046 0.000 1.030 232 S CA 1.303 59.467 58.200 -0.060 0.000 0.999 232 S CB -0.032 63.258 63.200 0.150 0.000 0.844 232 S HN 0.340 nan 8.310 nan 0.000 0.459 233 R N 0.241 120.723 120.500 -0.030 0.000 2.075 233 R HA -0.007 4.334 4.340 0.001 0.000 0.232 233 R C 2.705 179.020 176.300 0.025 0.000 1.126 233 R CA 1.519 57.609 56.100 -0.017 0.000 0.963 233 R CB -0.321 29.942 30.300 -0.061 0.000 0.858 233 R HN 0.415 nan 8.270 nan 0.000 0.435 234 R N 0.824 121.301 120.500 -0.038 0.000 2.073 234 R HA -0.114 4.226 4.340 0.001 0.000 0.234 234 R C 2.148 178.473 176.300 0.041 0.000 1.134 234 R CA 1.638 57.733 56.100 -0.008 0.000 0.952 234 R CB -0.290 29.965 30.300 -0.075 0.000 0.850 234 R HN 0.206 nan 8.270 nan 0.000 0.433 235 A N 0.730 123.501 122.820 -0.082 0.000 1.902 235 A HA -0.161 4.159 4.320 0.001 0.000 0.217 235 A C 2.119 179.736 177.584 0.056 0.000 1.181 235 A CA 1.522 53.548 52.037 -0.018 0.000 0.623 235 A CB -0.387 18.514 19.000 -0.166 0.000 0.818 235 A HN 0.313 nan 8.150 nan 0.000 0.443 236 M N -2.049 117.613 119.600 0.104 0.000 2.132 236 M HA -0.075 4.405 4.480 0.001 0.000 0.263 236 M C 2.087 178.517 176.300 0.216 0.000 1.065 236 M CA 1.174 56.601 55.300 0.211 0.000 1.122 236 M CB -1.542 31.318 32.600 0.434 0.000 1.365 236 M HN 0.608 nan 8.290 nan 0.000 0.411 237 Y N 1.786 122.149 120.300 0.104 0.000 2.128 237 Y HA -0.262 4.288 4.550 0.001 0.000 0.284 237 Y C 2.167 178.087 175.900 0.034 0.000 1.154 237 Y CA 1.816 59.958 58.100 0.069 0.000 1.149 237 Y CB -0.355 38.136 38.460 0.052 0.000 0.976 237 Y HN 0.308 nan 8.280 nan 0.000 0.505 238 N N 0.383 119.167 118.700 0.140 0.000 2.120 238 N HA -0.192 4.548 4.740 0.001 0.000 0.188 238 N C 2.034 177.543 175.510 -0.002 0.000 1.024 238 N CA 1.694 54.810 53.050 0.110 0.000 0.852 238 N CB -0.513 38.129 38.487 0.257 0.000 1.003 238 N HN 0.447 nan 8.380 nan 0.000 0.424 239 I N 0.857 121.334 120.570 -0.155 0.000 2.286 239 I HA -0.210 3.960 4.170 0.001 0.000 0.248 239 I C 1.951 177.924 176.117 -0.240 0.000 1.115 239 I CA 0.732 61.762 61.300 -0.450 0.000 1.392 239 I CB 0.017 37.665 38.000 -0.586 0.000 1.065 239 I HN 0.062 nan 8.210 nan 0.000 0.418 240 I N 0.541 120.977 120.570 -0.222 0.000 2.142 240 I HA -0.362 3.808 4.170 0.001 0.000 0.240 240 I C 2.656 178.615 176.117 -0.263 0.000 1.078 240 I CA 1.721 62.802 61.300 -0.365 0.000 1.343 240 I CB -0.412 37.282 38.000 -0.510 0.000 1.046 240 I HN 0.382 nan 8.210 nan 0.000 0.405 241 Q N 1.010 120.649 119.800 -0.268 0.000 2.224 241 Q HA -0.131 4.210 4.340 0.001 0.000 0.203 241 Q C 2.212 178.183 176.000 -0.048 0.000 0.970 241 Q CA 1.421 57.115 55.803 -0.182 0.000 0.865 241 Q CB -0.477 28.137 28.738 -0.206 0.000 0.922 241 Q HN 0.477 nan 8.270 nan 0.000 0.445 242 A N 1.564 124.400 122.820 0.028 0.000 1.930 242 A HA -0.241 4.080 4.320 0.001 0.000 0.217 242 A C 1.947 179.657 177.584 0.211 0.000 1.175 242 A CA 1.680 53.834 52.037 0.195 0.000 0.627 242 A CB -0.882 18.295 19.000 0.294 0.000 0.815 242 A HN 0.648 nan 8.150 nan 0.000 0.443 243 H N 0.171 119.258 119.070 0.028 0.000 2.293 243 H HA 0.021 4.578 4.556 0.001 0.000 0.300 243 H C 2.120 177.453 175.328 0.007 0.000 1.082 243 H CA 2.175 58.251 56.048 0.047 0.000 1.308 243 H CB -0.402 29.312 29.762 -0.079 0.000 1.375 243 H HN 0.348 nan 8.280 nan 0.000 0.495 244 A N 0.535 123.160 122.820 -0.325 0.000 1.883 244 A HA -0.180 4.141 4.320 0.001 0.000 0.217 244 A C 2.450 179.917 177.584 -0.196 0.000 1.186 244 A CA 1.864 53.702 52.037 -0.332 0.000 0.624 244 A CB -0.545 18.328 19.000 -0.210 0.000 0.822 244 A HN 0.394 nan 8.150 nan 0.000 0.444 245 R N -0.310 120.117 120.500 -0.122 0.000 2.096 245 R HA 0.023 4.364 4.340 0.001 0.000 0.235 245 R C 2.292 178.505 176.300 -0.144 0.000 1.127 245 R CA 1.496 57.537 56.100 -0.098 0.000 0.968 245 R CB -0.776 29.492 30.300 -0.054 0.000 0.861 245 R HN 0.497 nan 8.270 nan 0.000 0.440 246 A N -0.899 121.830 122.820 -0.152 0.000 1.930 246 A HA -0.188 4.132 4.320 0.001 0.000 0.217 246 A C 2.030 179.468 177.584 -0.245 0.000 1.175 246 A CA 1.289 53.169 52.037 -0.262 0.000 0.627 246 A CB -0.787 18.041 19.000 -0.288 0.000 0.815 246 A HN 0.485 nan 8.150 nan 0.000 0.443 247 Y N 1.303 121.379 120.300 -0.373 0.000 2.097 247 Y HA -0.257 4.293 4.550 0.001 0.000 0.282 247 Y C 1.882 177.639 175.900 -0.238 0.000 1.152 247 Y CA 2.227 60.132 58.100 -0.325 0.000 1.136 247 Y CB -0.214 38.003 38.460 -0.405 0.000 0.975 247 Y HN 0.354 nan 8.280 nan 0.000 0.498 248 D N -0.362 120.040 120.400 0.004 0.000 2.117 248 D HA -0.147 4.493 4.640 0.001 0.000 0.197 248 D C 2.373 178.573 176.300 -0.167 0.000 0.987 248 D CA 1.521 55.489 54.000 -0.053 0.000 0.829 248 D CB -0.980 39.804 40.800 -0.027 0.000 0.961 248 D HN 0.543 nan 8.370 nan 0.000 0.460 249 G N 0.738 109.415 108.800 -0.205 0.000 2.446 249 G HA2 -0.224 3.736 3.960 0.001 0.000 0.217 249 G HA3 -0.224 3.736 3.960 0.001 0.000 0.217 249 G C 1.801 176.533 174.900 -0.279 0.000 1.168 249 G CA 0.443 45.399 45.100 -0.241 0.000 0.771 249 G HN 0.271 nan 8.290 nan 0.000 0.551 250 I N 0.201 120.555 120.570 -0.360 0.000 2.202 250 I HA -0.101 4.069 4.170 0.001 0.000 0.242 250 I C 2.605 178.503 176.117 -0.365 0.000 1.091 250 I CA 0.905 61.938 61.300 -0.444 0.000 1.368 250 I CB -0.046 37.584 38.000 -0.616 0.000 1.058 250 I HN -0.034 nan 8.210 nan 0.000 0.410 251 K N 0.738 120.910 120.400 -0.380 0.000 2.280 251 K HA -0.096 4.224 4.320 0.001 0.000 0.202 251 K C 2.200 178.697 176.600 -0.171 0.000 1.047 251 K CA 1.539 57.647 56.287 -0.297 0.000 0.942 251 K CB -0.609 31.680 32.500 -0.352 0.000 0.739 251 K HN 0.434 nan 8.250 nan 0.000 0.457 252 S N -0.495 115.107 115.700 -0.162 0.000 2.474 252 S HA -0.047 4.424 4.470 0.001 0.000 0.235 252 S C 1.762 176.312 174.600 -0.084 0.000 0.997 252 S CA 0.823 58.956 58.200 -0.111 0.000 0.949 252 S CB 0.110 63.237 63.200 -0.121 0.000 0.766 252 S HN 0.015 nan 8.310 nan 0.000 0.517 253 V N -0.213 119.646 119.914 -0.092 0.000 3.485 253 V HA 0.426 4.546 4.120 0.001 0.000 0.280 253 V C 0.338 176.427 176.094 -0.008 0.000 1.495 253 V CA 0.558 62.845 62.300 -0.021 0.000 1.018 253 V CB 0.947 32.766 31.823 -0.006 0.000 0.818 253 V HN 0.560 nan 8.190 nan 0.000 0.436 254 S N -0.802 114.863 115.700 -0.057 0.000 2.556 254 S HA 0.448 4.918 4.470 0.001 0.000 0.271 254 S C -0.052 174.536 174.600 -0.020 0.000 1.135 254 S CA -0.602 57.591 58.200 -0.012 0.000 0.858 254 S CB 1.915 65.123 63.200 0.014 0.000 1.114 254 S HN 0.012 nan 8.310 nan 0.000 0.468 255 K N 1.590 122.005 120.400 0.025 0.000 2.374 255 K HA 0.241 4.562 4.320 0.001 0.000 0.196 255 K C 0.065 176.702 176.600 0.062 0.000 1.023 255 K CA 0.140 56.444 56.287 0.027 0.000 1.103 255 K CB 0.066 32.586 32.500 0.034 0.000 0.848 255 K HN 0.511 nan 8.250 nan 0.000 0.528 256 K N 1.863 122.326 120.400 0.105 0.000 2.219 256 K HA 0.141 4.461 4.320 0.001 0.000 0.258 256 K C -2.485 174.239 176.600 0.206 0.000 1.008 256 K CA -1.671 54.707 56.287 0.151 0.000 0.928 256 K CB -0.075 32.514 32.500 0.149 0.000 0.983 256 K HN -0.169 nan 8.250 nan 0.000 0.484 257 P HA 0.045 nan 4.420 nan 0.000 0.271 257 P C -1.042 176.557 177.300 0.498 0.000 1.216 257 P CA -0.209 63.132 63.100 0.402 0.000 0.776 257 P CB 0.625 32.641 31.700 0.526 0.000 0.881 258 V N 3.118 123.271 119.914 0.398 0.000 2.443 258 V HA 0.682 4.803 4.120 0.001 0.000 0.293 258 V C 0.685 176.819 176.094 0.066 0.000 1.021 258 V CA -0.196 62.264 62.300 0.266 0.000 0.848 258 V CB 1.415 33.217 31.823 -0.035 0.000 0.998 258 V HN 0.783 nan 8.190 nan 0.000 0.424 259 G N 3.619 112.124 108.800 -0.493 0.000 3.217 259 G HA2 0.876 4.836 3.960 0.001 0.000 0.213 259 G HA3 0.876 4.836 3.960 0.001 0.000 0.213 259 G C -1.238 173.280 174.900 -0.637 0.000 1.294 259 G CA -0.631 43.794 45.100 -1.125 0.000 0.987 259 G HN 0.592 nan 8.290 nan 0.000 0.584 260 I N -0.795 119.345 120.570 -0.717 0.000 2.913 260 I HA 0.526 4.697 4.170 0.001 0.000 0.302 260 I C -1.399 174.558 176.117 -0.268 0.000 1.246 260 I CA -1.104 59.978 61.300 -0.362 0.000 1.010 260 I CB 2.553 40.333 38.000 -0.367 0.000 1.259 260 I HN 0.291 nan 8.210 nan 0.000 0.434 261 I N 5.664 126.180 120.570 -0.090 0.000 2.404 261 I HA 0.373 4.543 4.170 0.001 0.000 0.293 261 I C -1.516 174.652 176.117 0.084 0.000 0.992 261 I CA -0.568 60.744 61.300 0.019 0.000 1.149 261 I CB 1.805 39.823 38.000 0.030 0.000 1.315 261 I HN 0.405 nan 8.210 nan 0.000 0.446 262 Y N 4.677 124.958 120.300 -0.032 0.000 2.524 262 Y HA 0.714 5.265 4.550 0.001 0.000 0.347 262 Y C -0.419 175.476 175.900 -0.009 0.000 1.005 262 Y CA -0.925 57.146 58.100 -0.049 0.000 1.025 262 Y CB 1.925 40.450 38.460 0.109 0.000 1.275 262 Y HN 0.581 nan 8.280 nan 0.000 0.460 263 A N 4.974 127.549 122.820 -0.408 0.000 2.320 263 A HA 0.531 4.851 4.320 0.001 0.000 0.287 263 A C -0.885 176.641 177.584 -0.097 0.000 1.181 263 A CA -0.427 51.467 52.037 -0.238 0.000 0.831 263 A CB -0.001 18.816 19.000 -0.305 0.000 1.102 263 A HN 0.747 nan 8.150 nan 0.000 0.513 264 N N 0.689 119.411 118.700 0.036 0.000 2.240 264 N HA 0.593 5.333 4.740 0.001 0.000 0.302 264 N C -0.841 174.674 175.510 0.009 0.000 1.106 264 N CA -0.296 52.838 53.050 0.140 0.000 0.778 264 N CB 2.259 40.935 38.487 0.314 0.000 1.431 264 N HN 0.755 nan 8.380 nan 0.000 0.479 265 S N -0.912 114.726 115.700 -0.103 0.000 2.599 265 S HA 0.467 4.937 4.470 0.001 0.000 0.294 265 S C -0.482 173.937 174.600 -0.301 0.000 1.094 265 S CA -0.735 57.306 58.200 -0.264 0.000 0.931 265 S CB 1.850 64.770 63.200 -0.467 0.000 1.093 265 S HN 0.339 nan 8.310 nan 0.000 0.488 266 S N 1.458 117.138 115.700 -0.034 0.000 2.439 266 S HA 0.495 4.966 4.470 0.001 0.000 0.282 266 S C -1.045 173.420 174.600 -0.224 0.000 1.170 266 S CA -0.703 57.509 58.200 0.021 0.000 1.054 266 S CB -0.968 62.427 63.200 0.326 0.000 0.956 266 S HN 0.463 nan 8.310 nan 0.000 0.490 267 F N 4.281 124.230 119.950 -0.003 0.000 2.438 267 F HA 0.408 4.935 4.527 0.001 0.000 0.356 267 F C 1.049 176.811 175.800 -0.062 0.000 1.099 267 F CA -0.212 57.746 58.000 -0.071 0.000 1.185 267 F CB 0.856 39.779 39.000 -0.128 0.000 1.115 267 F HN 0.384 nan 8.300 nan 0.000 0.526 268 Q N 5.105 124.916 119.800 0.019 0.000 2.365 268 Q HA 0.379 4.720 4.340 0.001 0.000 0.269 268 Q C -2.684 173.278 176.000 -0.063 0.000 1.061 268 Q CA -2.252 53.526 55.803 -0.041 0.000 0.816 268 Q CB 2.483 31.113 28.738 -0.181 0.000 1.325 268 Q HN 0.258 nan 8.270 nan 0.000 0.446 269 P HA 0.073 nan 4.420 nan 0.000 0.286 269 P C 0.532 177.778 177.300 -0.091 0.000 1.269 269 P CA -0.417 62.654 63.100 -0.047 0.000 0.787 269 P CB 1.121 32.812 31.700 -0.014 0.000 0.920 270 L N 3.617 124.778 121.223 -0.104 0.000 1.994 270 L HA -0.034 4.306 4.340 0.001 0.000 0.208 270 L C 1.053 177.885 176.870 -0.063 0.000 1.071 270 L CA 2.461 57.222 54.840 -0.131 0.000 0.745 270 L CB -0.911 41.092 42.059 -0.094 0.000 0.892 270 L HN 0.578 nan 8.230 nan 0.000 0.431 271 T N -4.270 110.267 114.554 -0.028 0.000 2.926 271 T HA 0.309 4.659 4.350 0.001 0.000 0.289 271 T C 0.525 175.225 174.700 -0.000 0.000 1.054 271 T CA -0.092 62.005 62.100 -0.006 0.000 1.015 271 T CB 1.167 70.038 68.868 0.005 0.000 1.167 271 T HN 0.317 nan 8.240 nan 0.000 0.526 272 D N -0.325 120.080 120.400 0.009 0.000 2.384 272 D HA -0.049 4.591 4.640 0.001 0.000 0.222 272 D C 1.215 177.521 176.300 0.010 0.000 0.976 272 D CA 0.357 54.364 54.000 0.012 0.000 0.915 272 D CB -0.351 40.459 40.800 0.016 0.000 0.896 272 D HN 0.372 nan 8.370 nan 0.000 0.523 273 K N -0.027 120.378 120.400 0.008 0.000 2.404 273 K HA 0.082 4.402 4.320 0.001 0.000 0.194 273 K C 0.426 177.029 176.600 0.006 0.000 1.023 273 K CA 0.246 56.538 56.287 0.008 0.000 1.094 273 K CB 0.067 32.572 32.500 0.009 0.000 0.841 273 K HN 0.395 nan 8.250 nan 0.000 0.523 274 D N 0.001 120.402 120.400 0.002 0.000 2.462 274 D HA 0.215 4.855 4.640 0.001 0.000 0.221 274 D C 1.173 177.467 176.300 -0.010 0.000 1.173 274 D CA -0.033 53.966 54.000 -0.002 0.000 0.831 274 D CB 0.422 41.219 40.800 -0.005 0.000 1.001 274 D HN 0.198 nan 8.370 nan 0.000 0.499 275 M N 0.139 119.737 119.600 -0.004 0.000 2.229 275 M HA -0.089 4.392 4.480 0.001 0.000 0.264 275 M C 1.946 178.234 176.300 -0.019 0.000 1.063 275 M CA 1.096 56.393 55.300 -0.005 0.000 1.114 275 M CB -0.194 32.410 32.600 0.006 0.000 1.387 275 M HN 0.070 nan 8.290 nan 0.000 0.420 276 E N 0.461 120.650 120.200 -0.019 0.000 2.106 276 E HA -0.129 4.222 4.350 0.001 0.000 0.192 276 E C 2.010 178.572 176.600 -0.062 0.000 0.984 276 E CA 1.134 57.518 56.400 -0.028 0.000 0.806 276 E CB 0.135 29.828 29.700 -0.011 0.000 0.750 276 E HN 0.449 nan 8.360 nan 0.000 0.458 277 A N 0.620 123.407 122.820 -0.056 0.000 1.908 277 A HA -0.162 4.159 4.320 0.001 0.000 0.218 277 A C 2.419 179.840 177.584 -0.272 0.000 1.181 277 A CA 1.340 53.315 52.037 -0.104 0.000 0.627 277 A CB -0.681 18.313 19.000 -0.009 0.000 0.818 277 A HN 0.178 nan 8.150 nan 0.000 0.445 278 V N 0.130 119.944 119.914 -0.168 0.000 2.295 278 V HA -0.290 3.830 4.120 0.001 0.000 0.246 278 V C 2.442 178.388 176.094 -0.246 0.000 1.049 278 V CA 2.387 64.584 62.300 -0.171 0.000 1.024 278 V CB -0.847 30.955 31.823 -0.034 0.000 0.648 278 V HN 0.664 nan 8.190 nan 0.000 0.447 279 E N -0.442 119.668 120.200 -0.149 0.000 2.077 279 E HA -0.238 4.112 4.350 0.001 0.000 0.193 279 E C 2.218 178.715 176.600 -0.172 0.000 0.989 279 E CA 1.519 57.861 56.400 -0.096 0.000 0.800 279 E CB -0.242 29.444 29.700 -0.024 0.000 0.746 279 E HN 0.551 nan 8.360 nan 0.000 0.452 280 M N 0.434 119.886 119.600 -0.246 0.000 2.159 280 M HA -0.134 4.346 4.480 0.001 0.000 0.263 280 M C 2.490 178.465 176.300 -0.542 0.000 1.063 280 M CA 1.423 56.557 55.300 -0.277 0.000 1.110 280 M CB -0.200 32.287 32.600 -0.188 0.000 1.374 280 M HN 0.122 nan 8.290 nan 0.000 0.411 281 A N 0.217 122.431 122.820 -1.011 0.000 1.930 281 A HA -0.146 4.175 4.320 0.001 0.000 0.217 281 A C 1.927 178.848 177.584 -1.105 0.000 1.175 281 A CA 1.525 52.786 52.037 -1.293 0.000 0.627 281 A CB -0.581 17.496 19.000 -1.538 0.000 0.815 281 A HN 0.505 nan 8.150 nan 0.000 0.443 282 E N -0.002 119.670 120.200 -0.880 0.000 2.077 282 E HA -0.183 4.167 4.350 0.001 0.000 0.193 282 E C 1.788 178.047 176.600 -0.567 0.000 0.989 282 E CA 1.080 57.025 56.400 -0.759 0.000 0.800 282 E CB -0.185 29.202 29.700 -0.522 0.000 0.746 282 E HN 0.527 nan 8.360 nan 0.000 0.452 283 N N 1.221 119.808 118.700 -0.188 0.000 2.043 283 N HA -0.158 4.582 4.740 0.001 0.000 0.193 283 N C 1.359 176.967 175.510 0.162 0.000 1.037 283 N CA 1.397 54.515 53.050 0.113 0.000 0.851 283 N CB -0.381 38.169 38.487 0.106 0.000 1.027 283 N HN 0.120 nan 8.380 nan 0.000 0.422 284 D N -0.070 120.330 120.400 0.000 0.000 2.269 284 D HA 0.011 4.651 4.640 0.001 0.000 0.208 284 D C 1.038 177.426 176.300 0.146 0.000 0.963 284 D CA 0.680 54.677 54.000 -0.004 0.000 0.864 284 D CB -0.119 40.671 40.800 -0.016 0.000 0.936 284 D HN 0.319 nan 8.370 nan 0.000 0.505 285 N N -0.631 118.157 118.700 0.147 0.000 2.273 285 N HA 0.113 4.853 4.740 0.001 0.000 0.192 285 N C 1.420 177.175 175.510 0.407 0.000 1.132 285 N CA 0.111 53.333 53.050 0.287 0.000 0.887 285 N CB 1.644 40.215 38.487 0.140 0.000 1.048 285 N HN 0.076 nan 8.380 nan 0.000 0.490 286 R N -0.864 119.765 120.500 0.216 0.000 3.372 286 R HA 0.174 4.515 4.340 0.001 0.000 0.150 286 R C 1.059 177.455 176.300 0.160 0.000 0.739 286 R CA -0.053 56.068 56.100 0.036 0.000 1.041 286 R CB -0.200 29.774 30.300 -0.544 0.000 1.530 286 R HN -0.008 nan 8.270 nan 0.000 0.534 287 W N 1.484 122.900 121.300 0.194 0.000 2.418 287 W HA -0.130 4.530 4.660 0.001 0.000 0.292 287 W C 1.959 178.588 176.519 0.183 0.000 1.213 287 W CA 0.323 57.778 57.345 0.183 0.000 1.283 287 W CB -0.266 29.252 29.460 0.096 0.000 1.119 287 W HN 0.350 nan 8.180 nan 0.000 0.542 288 W N 0.444 121.944 121.300 0.334 0.000 2.321 288 W HA -0.281 4.379 4.660 0.001 0.000 0.306 288 W C 1.756 178.380 176.519 0.175 0.000 1.217 288 W CA 1.054 58.523 57.345 0.207 0.000 1.257 288 W CB -1.924 27.623 29.460 0.145 0.000 1.145 288 W HN 0.024 nan 8.180 nan 0.000 0.509 289 F N 0.663 119.849 119.950 -1.275 0.000 2.098 289 F HA -0.053 4.474 4.527 0.001 0.000 0.294 289 F C 2.292 177.638 175.800 -0.757 0.000 1.107 289 F CA 1.999 59.180 58.000 -1.364 0.000 1.234 289 F CB -0.987 37.170 39.000 -1.406 0.000 1.002 289 F HN -0.279 nan 8.300 nan 0.000 0.472 290 F N 0.673 120.514 119.950 -0.182 0.000 2.325 290 F HA -0.114 4.413 4.527 0.001 0.000 0.299 290 F C 2.129 177.759 175.800 -0.284 0.000 1.090 290 F CA 1.153 59.023 58.000 -0.216 0.000 1.392 290 F CB -0.606 38.376 39.000 -0.030 0.000 1.053 290 F HN -0.058 nan 8.300 nan 0.000 0.521 291 D N 0.096 120.550 120.400 0.090 0.000 2.178 291 D HA -0.133 4.507 4.640 0.001 0.000 0.201 291 D C 2.306 178.547 176.300 -0.099 0.000 0.980 291 D CA 1.222 55.249 54.000 0.045 0.000 0.842 291 D CB -0.445 40.439 40.800 0.141 0.000 0.948 291 D HN 0.237 nan 8.370 nan 0.000 0.472 292 A N 0.979 123.671 122.820 -0.213 0.000 1.873 292 A HA -0.100 4.221 4.320 0.001 0.000 0.215 292 A C 2.228 179.610 177.584 -0.337 0.000 1.186 292 A CA 1.290 53.163 52.037 -0.275 0.000 0.616 292 A CB -0.676 18.099 19.000 -0.375 0.000 0.823 292 A HN 0.402 nan 8.150 nan 0.000 0.442 293 I N -4.155 116.133 120.570 -0.470 0.000 3.419 293 I HA 0.210 4.381 4.170 0.001 0.000 0.286 293 I C 1.675 177.606 176.117 -0.311 0.000 1.268 293 I CA 0.696 61.752 61.300 -0.407 0.000 1.414 293 I CB 0.028 37.708 38.000 -0.534 0.000 1.074 293 I HN 0.175 nan 8.210 nan 0.000 0.457 294 I N 0.645 121.041 120.570 -0.291 0.000 3.039 294 I HA 0.119 4.289 4.170 0.001 0.000 0.270 294 I C 2.244 178.258 176.117 -0.171 0.000 1.150 294 I CA 0.386 61.534 61.300 -0.253 0.000 1.448 294 I CB 0.099 37.878 38.000 -0.368 0.000 1.197 294 I HN 0.011 nan 8.210 nan 0.000 0.450 295 R N 0.449 120.867 120.500 -0.136 0.000 2.404 295 R HA 0.285 4.626 4.340 0.001 0.000 0.237 295 R C 1.232 177.486 176.300 -0.077 0.000 0.907 295 R CA 0.620 56.674 56.100 -0.077 0.000 1.063 295 R CB 0.872 31.157 30.300 -0.026 0.000 1.134 295 R HN 0.362 nan 8.270 nan 0.000 0.529 296 G N 1.856 110.590 108.800 -0.111 0.000 2.168 296 G HA2 -0.323 3.637 3.960 0.001 0.000 0.263 296 G HA3 -0.323 3.637 3.960 0.001 0.000 0.263 296 G C -0.228 174.635 174.900 -0.062 0.000 0.977 296 G CA 0.189 45.230 45.100 -0.099 0.000 0.659 296 G HN 0.381 nan 8.290 nan 0.000 0.533 297 E N -0.459 119.715 120.200 -0.044 0.000 2.289 297 E HA 0.703 5.053 4.350 0.001 0.000 0.278 297 E C 0.135 176.750 176.600 0.025 0.000 1.032 297 E CA -0.133 56.267 56.400 0.000 0.000 0.854 297 E CB 1.475 31.188 29.700 0.022 0.000 1.046 297 E HN 0.445 nan 8.360 nan 0.000 0.409 298 I N 1.097 121.703 120.570 0.059 0.000 3.181 298 I HA 0.261 4.431 4.170 0.001 0.000 0.311 298 I C -1.239 174.951 176.117 0.121 0.000 1.287 298 I CA -0.370 61.002 61.300 0.119 0.000 0.958 298 I CB 2.662 40.742 38.000 0.134 0.000 1.294 298 I HN 0.355 nan 8.210 nan 0.000 0.467 299 T N 3.832 118.474 114.554 0.147 0.000 2.829 299 T HA 0.574 4.924 4.350 0.001 0.000 0.280 299 T C -0.541 174.185 174.700 0.044 0.000 0.999 299 T CA -0.472 61.673 62.100 0.076 0.000 0.983 299 T CB 1.638 70.532 68.868 0.044 0.000 0.968 299 T HN 0.493 nan 8.240 nan 0.000 0.446 304 K N 0.984 121.390 120.400 0.011 0.000 2.268 304 K HA 0.738 5.058 4.320 0.001 0.000 0.276 304 K C 0.206 176.819 176.600 0.022 0.000 1.080 304 K CA 0.089 56.391 56.287 0.024 0.000 0.910 304 K CB -0.826 nan 32.500 nan 0.000 1.163 304 K HN 1.441 nan 8.250 nan 0.000 0.465 305 I N -1.896 118.692 120.570 0.030 0.000 3.023 305 I HA 0.801 4.971 4.170 0.001 0.000 0.312 305 I C -0.462 175.666 176.117 0.020 0.000 1.056 305 I CA -1.392 59.922 61.300 0.023 0.000 1.033 305 I CB 2.452 40.469 38.000 0.029 0.000 1.233 305 I HN 0.146 nan 8.210 nan 0.000 0.462 306 V N 2.887 122.806 119.914 0.008 0.000 2.384 306 V HA 0.482 4.603 4.120 0.001 0.000 0.287 306 V C -0.064 176.025 176.094 -0.007 0.000 1.020 306 V CA -0.510 61.787 62.300 -0.004 0.000 0.850 306 V CB 1.285 33.102 31.823 -0.011 0.000 0.987 306 V HN 0.636 nan 8.190 nan 0.000 0.436 307 R N 2.964 123.453 120.500 -0.018 0.000 2.229 307 R HA 0.310 4.650 4.340 0.001 0.000 0.332 307 R C 0.075 176.349 176.300 -0.043 0.000 0.989 307 R CA -0.605 55.481 56.100 -0.024 0.000 0.842 307 R CB 1.201 31.484 30.300 -0.027 0.000 1.119 307 R HN 0.670 nan 8.270 nan 0.000 0.456 308 D N 1.691 122.071 120.400 -0.033 0.000 2.264 308 D HA -0.177 4.463 4.640 0.001 0.000 0.208 308 D C 1.162 177.432 176.300 -0.050 0.000 0.966 308 D CA 1.252 55.229 54.000 -0.039 0.000 0.864 308 D CB 0.179 40.964 40.800 -0.025 0.000 0.933 308 D HN 0.648 nan 8.370 nan 0.000 0.499 309 D N 0.410 120.780 120.400 -0.050 0.000 2.347 309 D HA -0.098 4.543 4.640 0.001 0.000 0.215 309 D C 1.929 178.170 176.300 -0.100 0.000 0.976 309 D CA 0.270 54.234 54.000 -0.060 0.000 0.884 309 D CB -0.073 40.702 40.800 -0.042 0.000 0.915 309 D HN 0.265 nan 8.370 nan 0.000 0.526 310 L N -0.220 120.934 121.223 -0.116 0.000 2.357 310 L HA 0.124 4.464 4.340 0.001 0.000 0.211 310 L C 1.499 178.260 176.870 -0.181 0.000 1.075 310 L CA -0.217 54.525 54.840 -0.164 0.000 0.830 310 L CB -0.174 41.779 42.059 -0.176 0.000 0.996 310 L HN -0.167 nan 8.230 nan 0.000 0.467 311 K N 1.104 121.419 120.400 -0.141 0.000 2.484 311 K HA 0.098 4.418 4.320 0.001 0.000 0.280 311 K C 0.999 177.500 176.600 -0.166 0.000 1.013 311 K CA 0.955 57.161 56.287 -0.136 0.000 1.029 311 K CB 0.311 32.758 32.500 -0.089 0.000 0.902 311 K HN 0.259 nan 8.250 nan 0.000 0.481 312 G N 3.476 112.165 108.800 -0.187 0.000 2.155 312 G HA2 -0.276 3.684 3.960 0.001 0.000 0.257 312 G HA3 -0.276 3.684 3.960 0.001 0.000 0.257 312 G C 0.087 174.752 174.900 -0.391 0.000 0.983 312 G CA 0.321 45.297 45.100 -0.207 0.000 0.676 312 G HN 0.630 nan 8.290 nan 0.000 0.528 313 R N -0.611 119.571 120.500 -0.530 0.000 4.680 313 R HA 0.680 5.020 4.340 0.001 0.000 0.222 313 R C -0.287 175.477 176.300 -0.894 0.000 1.803 313 R CA -0.005 55.435 56.100 -1.101 0.000 1.560 313 R CB -0.059 29.795 30.300 -0.744 0.000 1.412 313 R HN 0.392 nan 8.270 nan 0.000 0.815 314 L N -0.526 120.331 121.223 -0.610 0.000 2.705 314 L HA 0.264 4.605 4.340 0.001 0.000 0.260 314 L C -0.705 176.169 176.870 0.006 0.000 0.921 314 L CA -0.017 54.724 54.840 -0.166 0.000 0.948 314 L CB 2.160 44.127 42.059 -0.153 0.000 1.427 314 L HN 0.113 nan 8.230 nan 0.000 0.432 315 D N 3.111 123.601 120.400 0.150 0.000 2.380 315 D HA 0.160 4.800 4.640 0.001 0.000 0.212 315 D C -0.508 175.859 176.300 0.111 0.000 1.021 315 D CA 0.944 55.080 54.000 0.227 0.000 0.884 315 D CB 0.495 41.544 40.800 0.414 0.000 1.001 315 D HN 0.485 nan 8.370 nan 0.000 0.506 316 W N 0.204 121.401 121.300 -0.171 0.000 3.066 316 W HA 0.540 5.200 4.660 0.001 0.000 0.330 316 W C -2.057 174.360 176.519 -0.170 0.000 1.253 316 W CA -0.933 56.152 57.345 -0.432 0.000 1.187 316 W CB 0.326 29.234 29.460 -0.920 0.000 1.434 316 W HN -0.407 nan 8.180 nan 0.000 0.572 317 I N 2.154 122.776 120.570 0.087 0.000 2.436 317 I HA 0.467 4.637 4.170 0.001 0.000 0.289 317 I C 0.594 176.822 176.117 0.186 0.000 1.010 317 I CA -0.787 60.473 61.300 -0.066 0.000 1.098 317 I CB 2.027 39.823 38.000 -0.340 0.000 1.266 317 I HN 0.611 nan 8.210 nan 0.000 0.434 318 G N 5.816 114.683 108.800 0.112 0.000 2.327 318 G HA2 0.488 4.448 3.960 0.001 0.000 0.302 318 G HA3 0.488 4.448 3.960 0.001 0.000 0.302 318 G C -0.543 174.429 174.900 0.121 0.000 1.113 318 G CA -0.255 45.037 45.100 0.321 0.000 0.921 318 G HN 0.351 nan 8.290 nan 0.000 0.425 319 V N 4.215 124.199 119.914 0.116 0.000 2.348 319 V HA 0.199 4.320 4.120 0.001 0.000 0.270 319 V C -0.386 175.779 176.094 0.119 0.000 1.037 319 V CA -1.081 61.262 62.300 0.073 0.000 0.872 319 V CB 0.702 32.565 31.823 0.067 0.000 1.002 319 V HN 0.614 nan 8.190 nan 0.000 0.464 320 N N 3.796 122.555 118.700 0.099 0.000 2.473 320 N HA 0.576 5.316 4.740 0.001 0.000 0.291 320 N C -1.033 174.498 175.510 0.035 0.000 1.083 320 N CA -0.336 52.716 53.050 0.003 0.000 0.951 320 N CB 1.554 39.999 38.487 -0.069 0.000 1.164 320 N HN 0.712 nan 8.380 nan 0.000 0.480 321 Y N 1.298 121.435 120.300 -0.271 0.000 2.436 321 Y HA 0.276 4.827 4.550 0.001 0.000 0.327 321 Y C -1.105 174.560 175.900 -0.392 0.000 1.138 321 Y CA -0.577 57.411 58.100 -0.186 0.000 1.042 321 Y CB 0.554 39.032 38.460 0.030 0.000 1.302 321 Y HN 0.547 nan 8.280 nan 0.000 0.439 322 Y N 2.154 122.051 120.300 -0.671 0.000 2.664 322 Y HA 0.419 4.969 4.550 0.001 0.000 0.278 322 Y C 1.091 176.683 175.900 -0.514 0.000 1.130 322 Y CA 0.832 58.726 58.100 -0.344 0.000 1.260 322 Y CB 1.076 39.453 38.460 -0.137 0.000 1.369 322 Y HN 0.630 nan 8.280 nan 0.000 0.499 323 T N -0.551 113.536 114.554 -0.778 0.000 2.658 323 T HA 0.429 4.779 4.350 0.001 0.000 0.305 323 T C -1.537 173.085 174.700 -0.131 0.000 1.551 323 T CA -0.974 61.035 62.100 -0.152 0.000 0.985 323 T CB 0.906 69.822 68.868 0.080 0.000 1.731 323 T HN 0.164 nan 8.240 nan 0.000 0.486 324 R N 0.152 120.644 120.500 -0.014 0.000 2.608 324 R HA 0.830 5.171 4.340 0.001 0.000 0.255 324 R C -0.931 175.173 176.300 -0.327 0.000 1.086 324 R CA -0.685 55.305 56.100 -0.184 0.000 1.125 324 R CB 0.671 30.676 30.300 -0.491 0.000 1.193 324 R HN 0.454 nan 8.270 nan 0.000 0.553 325 T N 0.859 115.164 114.554 -0.416 0.000 2.841 325 T HA 0.303 4.653 4.350 0.001 0.000 0.285 325 T C -0.842 173.728 174.700 -0.216 0.000 0.991 325 T CA -0.681 61.210 62.100 -0.348 0.000 0.966 325 T CB 1.735 70.364 68.868 -0.398 0.000 0.962 325 T HN 0.327 nan 8.240 nan 0.000 0.438 326 V N 4.753 124.547 119.914 -0.200 0.000 2.432 326 V HA 0.595 4.716 4.120 0.001 0.000 0.275 326 V C 0.266 176.310 176.094 -0.084 0.000 1.043 326 V CA -0.518 61.636 62.300 -0.243 0.000 0.925 326 V CB 1.193 32.653 31.823 -0.606 0.000 0.985 326 V HN 0.763 nan 8.190 nan 0.000 0.466 327 V N 2.939 122.835 119.914 -0.030 0.000 2.864 327 V HA 0.855 4.975 4.120 0.001 0.000 0.314 327 V C -0.670 175.441 176.094 0.027 0.000 1.073 327 V CA -1.034 61.302 62.300 0.060 0.000 0.956 327 V CB 1.890 33.778 31.823 0.107 0.000 1.023 327 V HN 0.956 nan 8.190 nan 0.000 0.435 328 K N 1.761 122.204 120.400 0.071 0.000 2.426 328 K HA 0.660 4.980 4.320 0.001 0.000 0.251 328 K C -0.636 176.012 176.600 0.081 0.000 0.941 328 K CA -1.033 55.283 56.287 0.049 0.000 0.808 328 K CB 2.290 34.809 32.500 0.031 0.000 1.265 328 K HN 0.550 nan 8.250 nan 0.000 0.432 329 R N 1.420 121.953 120.500 0.055 0.000 2.537 329 R HA 0.230 4.571 4.340 0.001 0.000 0.280 329 R C -0.687 175.640 176.300 0.046 0.000 1.058 329 R CA 0.206 56.342 56.100 0.060 0.000 1.057 329 R CB 0.874 31.195 30.300 0.035 0.000 0.973 329 R HN 0.850 nan 8.270 nan 0.000 0.438 330 T N 2.226 116.806 114.554 0.044 0.000 2.930 330 T HA 0.309 4.659 4.350 0.001 0.000 0.290 330 T C 1.395 176.100 174.700 0.009 0.000 1.052 330 T CA 0.043 62.153 62.100 0.016 0.000 1.017 330 T CB 1.681 70.546 68.868 -0.006 0.000 1.137 330 T HN 0.580 nan 8.240 nan 0.000 0.511 331 E N 1.103 121.303 120.200 0.000 0.000 2.048 331 E HA -0.207 4.143 4.350 0.001 0.000 0.202 331 E C 2.226 178.821 176.600 -0.008 0.000 1.021 331 E CA 2.538 58.936 56.400 -0.003 0.000 0.825 331 E CB -1.350 nan 29.700 nan 0.000 0.756 331 E HN 0.737 nan 8.360 nan 0.000 0.454 332 K N -0.350 120.038 120.400 -0.020 0.000 2.365 332 K HA 0.494 4.814 4.320 0.001 0.000 0.197 332 K C 1.762 178.342 176.600 -0.033 0.000 1.042 332 K CA 1.637 57.905 56.287 -0.031 0.000 0.987 332 K CB 0.116 nan 32.500 nan 0.000 0.779 332 K HN 1.113 nan 8.250 nan 0.000 0.484 333 G N -1.577 107.210 108.800 -0.021 0.000 2.483 333 G HA2 0.355 4.316 3.960 0.001 0.000 0.090 333 G HA3 0.355 4.316 3.960 0.001 0.000 0.090 333 G C -0.920 174.035 174.900 0.091 0.000 0.984 333 G CA 0.285 45.395 45.100 0.018 0.000 1.325 333 G HN 0.973 nan 8.290 nan 0.000 0.561 334 Y N -0.176 120.095 120.300 -0.048 0.000 2.597 334 Y HA 0.800 5.350 4.550 0.001 0.000 0.340 334 Y C -0.719 175.160 175.900 -0.034 0.000 1.097 334 Y CA -1.122 56.953 58.100 -0.042 0.000 1.037 334 Y CB 1.756 40.182 38.460 -0.057 0.000 1.305 334 Y HN 1.108 nan 8.280 nan 0.000 0.463 335 V N -0.329 119.619 119.914 0.057 0.000 3.007 335 V HA 0.855 4.976 4.120 0.001 0.000 0.311 335 V C -0.384 175.797 176.094 0.146 0.000 1.120 335 V CA -0.586 61.708 62.300 -0.010 0.000 0.980 335 V CB 1.218 33.023 31.823 -0.030 0.000 1.033 335 V HN 1.232 nan 8.190 nan 0.000 0.429 336 S N 2.969 118.743 115.700 0.124 0.000 2.616 336 S HA 0.816 5.287 4.470 0.001 0.000 0.277 336 S C -0.530 174.115 174.600 0.075 0.000 1.234 336 S CA -0.738 57.535 58.200 0.123 0.000 1.028 336 S CB 1.188 64.469 63.200 0.136 0.000 0.988 336 S HN 0.777 nan 8.310 nan 0.000 0.522 337 L N 2.156 123.424 121.223 0.076 0.000 2.307 337 L HA 0.588 4.928 4.340 0.001 0.000 0.284 337 L C 1.113 178.072 176.870 0.148 0.000 1.023 337 L CA -0.765 54.151 54.840 0.127 0.000 0.810 337 L CB 1.268 43.440 42.059 0.188 0.000 1.231 337 L HN 0.994 nan 8.230 nan 0.000 0.423 338 G N 0.533 109.393 108.800 0.101 0.000 2.594 338 G HA2 0.390 4.350 3.960 0.001 0.000 0.243 338 G HA3 0.390 4.350 3.960 0.001 0.000 0.243 338 G C 0.891 175.805 174.900 0.023 0.000 1.229 338 G CA 0.430 45.565 45.100 0.059 0.000 0.843 338 G HN 1.036 nan 8.290 nan 0.000 0.578 339 G N -1.036 107.733 108.800 -0.051 0.000 2.176 339 G HA2 -0.218 3.742 3.960 0.001 0.000 0.253 339 G HA3 -0.218 3.742 3.960 0.001 0.000 0.253 339 G C 0.033 174.662 174.900 -0.453 0.000 0.979 339 G CA 0.876 45.836 45.100 -0.233 0.000 0.641 339 G HN 0.883 nan 8.290 nan 0.000 0.530 340 Y N -1.030 119.256 120.300 -0.024 0.000 2.638 340 Y HA 0.590 5.141 4.550 0.001 0.000 0.339 340 Y C 1.286 177.123 175.900 -0.104 0.000 1.084 340 Y CA 0.065 58.135 58.100 -0.051 0.000 1.068 340 Y CB 1.169 39.570 38.460 -0.099 0.000 1.294 340 Y HN 1.165 nan 8.280 nan 0.000 0.480 341 G N 1.072 109.915 108.800 0.072 0.000 2.591 341 G HA2 -0.414 3.547 3.960 0.001 0.000 0.298 341 G HA3 -0.414 3.547 3.960 0.001 0.000 0.298 341 G C 0.437 175.311 174.900 -0.044 0.000 1.195 341 G CA 1.051 46.106 45.100 -0.076 0.000 0.989 341 G HN 1.261 nan 8.290 nan 0.000 0.551 342 H N 0.346 119.340 119.070 -0.127 0.000 2.539 342 H HA 0.485 5.041 4.556 0.001 0.000 0.267 342 H C 1.713 177.070 175.328 0.047 0.000 0.982 342 H CA 0.978 56.904 56.048 -0.203 0.000 1.146 342 H CB -0.269 29.031 29.762 -0.770 0.000 1.382 342 H HN 0.834 nan 8.280 nan 0.000 0.577 343 G N 0.424 109.231 108.800 0.012 0.000 3.949 343 G HA2 0.313 4.273 3.960 0.001 0.000 0.295 343 G HA3 0.313 4.273 3.960 0.001 0.000 0.295 343 G C -0.534 174.423 174.900 0.094 0.000 1.286 343 G CA -0.267 44.886 45.100 0.087 0.000 1.171 343 G HN 0.386 nan 8.290 nan 0.000 0.586 344 C N -0.494 118.897 119.300 0.151 0.000 2.505 344 C HA 0.522 4.982 4.460 0.001 0.000 0.358 344 C C 0.592 175.662 174.990 0.134 0.000 1.226 344 C CA -0.995 58.091 59.018 0.114 0.000 1.900 344 C CB 1.733 29.549 27.740 0.126 0.000 2.306 344 C HN 0.544 nan 8.230 nan 0.000 0.512 345 E N 0.475 120.732 120.200 0.095 0.000 2.398 345 E HA 0.137 4.488 4.350 0.001 0.000 0.263 345 E C -0.141 176.522 176.600 0.106 0.000 1.046 345 E CA 0.182 56.638 56.400 0.093 0.000 0.908 345 E CB 0.507 30.247 29.700 0.066 0.000 0.963 345 E HN 0.407 nan 8.360 nan 0.000 0.431 346 R N 2.058 122.613 120.500 0.092 0.000 2.543 346 R HA 0.064 4.405 4.340 0.001 0.000 0.277 346 R C -0.157 176.177 176.300 0.056 0.000 1.074 346 R CA -0.039 56.104 56.100 0.071 0.000 1.076 346 R CB 0.020 30.343 30.300 0.038 0.000 0.993 346 R HN 0.624 nan 8.270 nan 0.000 0.459 347 N N 0.019 118.751 118.700 0.053 0.000 2.688 347 N HA -0.243 4.497 4.740 0.001 0.000 0.258 347 N C -0.861 174.682 175.510 0.054 0.000 1.016 347 N CA 0.982 54.063 53.050 0.050 0.000 0.747 347 N CB -0.428 38.078 38.487 0.031 0.000 0.895 347 N HN 0.583 nan 8.380 nan 0.000 0.543 348 S N -1.433 114.316 115.700 0.081 0.000 3.576 348 S HA 0.769 5.239 4.470 0.001 0.000 0.321 348 S C -1.495 173.182 174.600 0.128 0.000 1.174 348 S CA -0.389 57.868 58.200 0.096 0.000 1.102 348 S CB 1.597 64.850 63.200 0.088 0.000 1.467 348 S HN 0.058 nan 8.310 nan 0.000 0.701 349 V N 2.016 122.008 119.914 0.129 0.000 2.925 349 V HA 0.682 4.802 4.120 0.001 0.000 0.311 349 V C 0.020 176.154 176.094 0.067 0.000 1.104 349 V CA -0.168 62.204 62.300 0.121 0.000 0.954 349 V CB 2.065 33.973 31.823 0.141 0.000 1.022 349 V HN 1.073 nan 8.190 nan 0.000 0.427 350 S N 4.412 120.149 115.700 0.062 0.000 2.661 350 S HA 0.390 4.860 4.470 0.001 0.000 0.265 350 S C 1.169 175.702 174.600 -0.112 0.000 1.225 350 S CA -0.442 57.742 58.200 -0.027 0.000 0.986 350 S CB 0.573 63.782 63.200 0.016 0.000 1.008 350 S HN 0.586 nan 8.310 nan 0.000 0.565 351 L N 0.211 121.238 121.223 -0.326 0.000 2.189 351 L HA -0.108 4.232 4.340 0.001 0.000 0.214 351 L C 2.586 179.388 176.870 -0.114 0.000 1.097 351 L CA 1.481 56.123 54.840 -0.330 0.000 0.764 351 L CB -0.824 40.833 42.059 -0.669 0.000 0.900 351 L HN 0.911 nan 8.230 nan 0.000 0.436 352 A N -0.605 122.213 122.820 -0.003 0.000 2.278 352 A HA 0.340 4.661 4.320 0.001 0.000 0.212 352 A C 1.706 179.356 177.584 0.110 0.000 1.213 352 A CA 0.596 52.726 52.037 0.155 0.000 0.840 352 A CB -0.385 18.792 19.000 0.296 0.000 0.866 352 A HN 0.496 nan 8.150 nan 0.000 0.489 353 G N -1.010 107.827 108.800 0.060 0.000 2.153 353 G HA2 -0.229 3.731 3.960 0.001 0.000 0.252 353 G HA3 -0.229 3.731 3.960 0.001 0.000 0.252 353 G C 0.027 174.984 174.900 0.095 0.000 0.994 353 G CA 0.484 45.617 45.100 0.055 0.000 0.698 353 G HN 0.463 nan 8.290 nan 0.000 0.521 354 L N 1.771 123.082 121.223 0.146 0.000 2.334 354 L HA 0.462 4.802 4.340 0.001 0.000 0.277 354 L C -1.455 175.531 176.870 0.193 0.000 1.075 354 L CA -2.389 52.569 54.840 0.198 0.000 0.804 354 L CB 1.338 43.590 42.059 0.321 0.000 1.174 354 L HN -0.070 nan 8.230 nan 0.000 0.438 355 P HA 0.079 nan 4.420 nan 0.000 0.271 355 P C -0.680 176.771 177.300 0.252 0.000 1.218 355 P CA -0.247 62.946 63.100 0.155 0.000 0.780 355 P CB 0.833 32.564 31.700 0.051 0.000 0.901 356 T N -1.227 113.453 114.554 0.210 0.000 2.940 356 T HA 0.541 4.892 4.350 0.001 0.000 0.288 356 T C 0.488 175.302 174.700 0.188 0.000 1.033 356 T CA -0.630 61.613 62.100 0.238 0.000 1.033 356 T CB 0.885 69.874 68.868 0.202 0.000 1.079 356 T HN 0.458 nan 8.240 nan 0.000 0.496 357 S N 0.748 116.552 115.700 0.174 0.000 2.671 357 S HA 0.263 4.733 4.470 0.001 0.000 0.272 357 S C 0.497 175.076 174.600 -0.035 0.000 1.174 357 S CA -0.456 57.774 58.200 0.050 0.000 1.004 357 S CB 0.125 63.303 63.200 -0.037 0.000 1.077 357 S HN 0.669 nan 8.310 nan 0.000 0.553 358 D N -0.275 120.043 120.400 -0.138 0.000 2.311 358 D HA 0.000 4.641 4.640 0.001 0.000 0.212 358 D C 0.806 176.986 176.300 -0.202 0.000 0.972 358 D CA 0.946 54.841 54.000 -0.175 0.000 0.887 358 D CB -0.305 40.336 40.800 -0.266 0.000 0.915 358 D HN 0.492 nan 8.370 nan 0.000 0.497 359 F N -0.293 119.392 119.950 -0.441 0.000 2.749 359 F HA 0.302 4.829 4.527 0.001 0.000 0.300 359 F C 1.639 177.219 175.800 -0.366 0.000 1.103 359 F CA 0.166 57.806 58.000 -0.600 0.000 1.342 359 F CB 0.399 38.551 39.000 -1.414 0.000 1.098 359 F HN 0.034 nan 8.300 nan 0.000 0.586 360 G N -0.279 108.557 108.800 0.061 0.000 2.142 360 G HA2 -0.262 3.699 3.960 0.001 0.000 0.225 360 G HA3 -0.262 3.699 3.960 0.001 0.000 0.225 360 G C -0.452 174.715 174.900 0.446 0.000 1.015 360 G CA -0.242 44.994 45.100 0.228 0.000 0.716 360 G HN 0.102 nan 8.290 nan 0.000 0.508 361 W N 0.909 122.303 121.300 0.157 0.000 2.478 361 W HA 0.652 5.312 4.660 0.001 0.000 0.318 361 W C 0.421 177.073 176.519 0.222 0.000 1.062 361 W CA -2.199 55.239 57.345 0.154 0.000 1.210 361 W CB 0.744 30.269 29.460 0.108 0.000 1.325 361 W HN 0.303 nan 8.180 nan 0.000 0.496 362 E N 2.254 122.715 120.200 0.435 0.000 2.373 362 E HA 0.065 4.415 4.350 0.001 0.000 0.267 362 E C -0.932 175.997 176.600 0.548 0.000 1.032 362 E CA -0.510 56.138 56.400 0.414 0.000 0.889 362 E CB 0.615 30.496 29.700 0.301 0.000 0.984 362 E HN 0.272 nan 8.360 nan 0.000 0.425 363 F N 5.773 125.985 119.950 0.437 0.000 2.466 363 F HA 0.220 4.747 4.527 0.001 0.000 0.363 363 F C -0.919 175.190 175.800 0.515 0.000 1.109 363 F CA -0.031 58.271 58.000 0.504 0.000 1.161 363 F CB 0.115 39.348 39.000 0.389 0.000 1.117 363 F HN 0.414 nan 8.300 nan 0.000 0.539 364 F N 9.781 129.808 119.950 0.127 0.000 2.824 364 F HA 0.359 4.886 4.527 0.001 0.000 0.368 364 F C -2.127 173.708 175.800 0.059 0.000 1.398 364 F CA -1.812 56.278 58.000 0.150 0.000 1.142 364 F CB 0.546 39.686 39.000 0.233 0.000 1.997 364 F HN 0.223 nan 8.300 nan 0.000 0.598 365 P HA -0.174 nan 4.420 nan 0.000 0.222 365 P C 1.376 178.357 177.300 -0.533 0.000 1.147 365 P CA 1.195 63.801 63.100 -0.822 0.000 0.790 365 P CB 0.354 31.398 31.700 -1.095 0.000 0.780 366 E N 0.765 120.589 120.200 -0.626 0.000 2.160 366 E HA -0.137 4.213 4.350 0.001 0.000 0.195 366 E C 2.235 178.673 176.600 -0.270 0.000 0.991 366 E CA 1.692 57.801 56.400 -0.485 0.000 0.810 366 E CB -1.320 27.962 29.700 -0.696 0.000 0.742 366 E HN 0.187 nan 8.360 nan 0.000 0.466 367 G N 0.543 109.231 108.800 -0.187 0.000 2.462 367 G HA2 -0.252 3.709 3.960 0.001 0.000 0.220 367 G HA3 -0.252 3.709 3.960 0.001 0.000 0.220 367 G C 1.433 176.090 174.900 -0.404 0.000 1.121 367 G CA 0.901 46.082 45.100 0.136 0.000 0.758 367 G HN 0.347 nan 8.290 nan 0.000 0.559 368 L N -0.507 120.240 121.223 -0.794 0.000 2.056 368 L HA 0.070 4.411 4.340 0.001 0.000 0.207 368 L C 2.438 179.167 176.870 -0.236 0.000 1.078 368 L CA 1.527 55.924 54.840 -0.737 0.000 0.749 368 L CB -0.876 40.915 42.059 -0.447 0.000 0.901 368 L HN 0.357 nan 8.230 nan 0.000 0.433 369 Y N 0.430 120.587 120.300 -0.238 0.000 2.128 369 Y HA -0.308 4.242 4.550 0.000 0.000 0.284 369 Y C 2.428 178.286 175.900 -0.071 0.000 1.154 369 Y CA 2.192 60.207 58.100 -0.142 0.000 1.149 369 Y CB -0.477 37.887 38.460 -0.161 0.000 0.976 369 Y HN 0.486 nan 8.280 nan 0.000 0.505 370 D N -0.454 119.942 120.400 -0.007 0.000 2.106 370 D HA -0.216 4.424 4.640 0.001 0.000 0.191 370 D C 2.108 178.377 176.300 -0.052 0.000 0.997 370 D CA 2.262 56.256 54.000 -0.010 0.000 0.834 370 D CB -0.440 40.428 40.800 0.114 0.000 0.956 370 D HN 0.248 nan 8.370 nan 0.000 0.448 371 V N 0.262 120.160 119.914 -0.027 0.000 2.295 371 V HA -0.217 3.903 4.120 0.001 0.000 0.246 371 V C 2.709 178.891 176.094 0.147 0.000 1.049 371 V CA 1.502 63.838 62.300 0.060 0.000 1.024 371 V CB -0.567 31.331 31.823 0.125 0.000 0.648 371 V HN 0.316 nan 8.190 nan 0.000 0.447 372 L N 0.425 121.679 121.223 0.053 0.000 2.017 372 L HA -0.189 4.152 4.340 0.001 0.000 0.208 372 L C 2.791 179.696 176.870 0.058 0.000 1.073 372 L CA 2.241 57.129 54.840 0.081 0.000 0.745 372 L CB -1.007 41.042 42.059 -0.016 0.000 0.894 372 L HN 0.601 nan 8.230 nan 0.000 0.432 373 T N -3.458 111.012 114.554 -0.140 0.000 2.942 373 T HA -0.139 4.212 4.350 0.001 0.000 0.265 373 T C 1.868 176.570 174.700 0.003 0.000 1.062 373 T CA 0.709 62.734 62.100 -0.125 0.000 1.139 373 T CB -0.126 68.499 68.868 -0.405 0.000 0.883 373 T HN 0.172 nan 8.240 nan 0.000 0.468 374 K N -0.103 120.303 120.400 0.010 0.000 2.057 374 K HA -0.032 4.288 4.320 0.001 0.000 0.207 374 K C 2.088 178.726 176.600 0.063 0.000 1.049 374 K CA 1.424 57.745 56.287 0.057 0.000 0.931 374 K CB -0.354 32.229 32.500 0.138 0.000 0.714 374 K HN 0.336 nan 8.250 nan 0.000 0.440 375 Y N -0.072 120.320 120.300 0.152 0.000 2.181 375 Y HA -0.275 4.275 4.550 0.001 0.000 0.288 375 Y C 2.159 178.016 175.900 -0.071 0.000 1.146 375 Y CA 1.342 59.499 58.100 0.096 0.000 1.164 375 Y CB -0.375 38.153 38.460 0.112 0.000 0.982 375 Y HN 0.310 nan 8.280 nan 0.000 0.515 376 W N 1.184 122.468 121.300 -0.028 0.000 2.355 376 W HA -0.263 4.397 4.660 0.000 0.000 0.309 376 W C 1.360 177.546 176.519 -0.555 0.000 1.206 376 W CA 1.854 59.080 57.345 -0.198 0.000 1.284 376 W CB -0.383 28.994 29.460 -0.138 0.000 1.145 376 W HN 0.120 nan 8.180 nan 0.000 0.502 377 N N 0.542 118.974 118.700 -0.447 0.000 2.309 377 N HA -0.163 4.578 4.740 0.001 0.000 0.182 377 N C 1.806 176.915 175.510 -0.670 0.000 1.018 377 N CA 1.404 54.099 53.050 -0.592 0.000 0.876 377 N CB -0.661 37.695 38.487 -0.218 0.000 0.972 377 N HN 0.304 nan 8.380 nan 0.000 0.434 378 R N -0.875 119.186 120.500 -0.732 0.000 2.080 378 R HA -0.002 4.339 4.340 0.001 0.000 0.222 378 R C 0.841 176.690 176.300 -0.752 0.000 1.107 378 R CA 1.177 56.710 56.100 -0.945 0.000 0.980 378 R CB 0.129 29.422 30.300 -1.678 0.000 0.879 378 R HN 0.180 nan 8.270 nan 0.000 0.439 379 Y N -2.161 117.909 120.300 -0.383 0.000 2.452 379 Y HA 0.233 4.784 4.550 0.001 0.000 0.262 379 Y C -0.198 175.564 175.900 -0.231 0.000 1.089 379 Y CA -0.322 57.645 58.100 -0.221 0.000 1.262 379 Y CB 0.193 38.579 38.460 -0.122 0.000 1.236 379 Y HN 0.117 nan 8.280 nan 0.000 0.512 380 H N -0.313 118.503 119.070 -0.423 0.000 2.741 380 H HA -0.158 4.399 4.556 0.001 0.000 0.305 380 H C -0.704 174.424 175.328 -0.333 0.000 1.169 380 H CA 0.538 56.051 56.048 -0.891 0.000 1.144 380 H CB -1.981 27.309 29.762 -0.786 0.000 1.397 380 H HN 0.169 nan 8.280 nan 0.000 0.409 381 L N 1.068 122.330 121.223 0.065 0.000 2.309 381 L HA 0.311 4.651 4.340 0.001 0.000 0.282 381 L C 0.941 178.081 176.870 0.450 0.000 1.036 381 L CA -1.346 53.636 54.840 0.237 0.000 0.806 381 L CB 0.626 42.749 42.059 0.107 0.000 1.220 381 L HN 0.248 nan 8.230 nan 0.000 0.429 382 Y N 1.640 122.183 120.300 0.407 0.000 2.511 382 Y HA 0.471 5.022 4.550 0.001 0.000 0.347 382 Y C -0.341 175.673 175.900 0.190 0.000 1.257 382 Y CA -0.774 57.489 58.100 0.272 0.000 1.469 382 Y CB 0.410 38.930 38.460 0.101 0.000 1.353 382 Y HN 0.440 nan 8.280 nan 0.000 0.617 383 M N 2.453 122.145 119.600 0.154 0.000 2.619 383 M HA 0.449 4.930 4.480 0.001 0.000 0.297 383 M C -1.782 174.462 176.300 -0.094 0.000 1.229 383 M CA -0.688 54.660 55.300 0.080 0.000 0.860 383 M CB 2.390 35.041 32.600 0.085 0.000 1.741 383 M HN 0.672 nan 8.290 nan 0.000 0.462 384 Y N -0.151 120.228 120.300 0.132 0.000 2.446 384 Y HA 0.540 5.090 4.550 0.001 0.000 0.345 384 Y C -0.420 175.535 175.900 0.092 0.000 0.984 384 Y CA -0.928 57.188 58.100 0.027 0.000 1.058 384 Y CB 1.855 40.262 38.460 -0.088 0.000 1.220 384 Y HN 0.280 nan 8.280 nan 0.000 0.455 385 V N 3.120 123.186 119.914 0.253 0.000 2.372 385 V HA 0.063 4.183 4.120 0.001 0.000 0.261 385 V C 0.633 176.799 176.094 0.120 0.000 1.055 385 V CA 0.332 62.754 62.300 0.204 0.000 0.930 385 V CB 0.255 32.252 31.823 0.291 0.000 1.031 385 V HN 1.052 nan 8.190 nan 0.000 0.479 386 T N 0.935 115.572 114.554 0.138 0.000 3.065 386 T HA 0.194 4.544 4.350 0.001 0.000 0.252 386 T C 0.441 175.194 174.700 0.088 0.000 1.099 386 T CA 0.087 62.258 62.100 0.118 0.000 1.063 386 T CB 0.457 69.441 68.868 0.193 0.000 0.948 386 T HN 0.608 nan 8.240 nan 0.000 0.506 387 E N 0.791 121.009 120.200 0.029 0.000 2.343 387 E HA 0.341 4.691 4.350 0.001 0.000 0.286 387 E C -1.930 174.592 176.600 -0.132 0.000 0.915 387 E CA -0.613 55.793 56.400 0.010 0.000 0.784 387 E CB 1.319 30.982 29.700 -0.062 0.000 1.251 387 E HN 0.249 nan 8.360 nan 0.000 0.407 388 N N 3.110 121.761 118.700 -0.081 0.000 2.666 388 N HA 0.494 5.234 4.740 0.001 0.000 0.260 388 N C -1.221 174.365 175.510 0.126 0.000 1.077 388 N CA 0.087 53.125 53.050 -0.019 0.000 1.026 388 N CB 1.936 40.542 38.487 0.199 0.000 1.653 388 N HN 0.682 nan 8.380 nan 0.000 0.533 389 G N 1.775 110.834 108.800 0.431 0.000 2.325 389 G HA2 0.428 4.389 3.960 0.001 0.000 0.295 389 G HA3 0.428 4.389 3.960 0.001 0.000 0.295 389 G C -2.043 172.975 174.900 0.197 0.000 1.274 389 G CA -0.551 44.707 45.100 0.264 0.000 0.857 389 G HN 0.577 nan 8.290 nan 0.000 0.499 390 I N -0.383 120.224 120.570 0.061 0.000 2.775 390 I HA 0.664 4.834 4.170 0.001 0.000 0.295 390 I C -0.280 175.378 176.117 -0.766 0.000 1.287 390 I CA -1.124 59.953 61.300 -0.371 0.000 1.029 390 I CB 2.019 39.681 38.000 -0.564 0.000 1.282 390 I HN 1.077 nan 8.210 nan 0.000 0.426 391 A N 4.413 126.510 122.820 -1.206 0.000 2.350 391 A HA 0.515 4.835 4.320 0.001 0.000 0.293 391 A C -0.697 176.567 177.584 -0.533 0.000 1.231 391 A CA 0.221 51.542 52.037 -1.193 0.000 0.883 391 A CB -0.076 18.264 19.000 -1.100 0.000 1.133 391 A HN 0.609 nan 8.150 nan 0.000 0.533 392 D N 2.174 122.351 120.400 -0.371 0.000 2.491 392 D HA 0.072 4.712 4.640 0.001 0.000 0.232 392 D C 0.083 176.272 176.300 -0.185 0.000 1.334 392 D CA -0.337 53.537 54.000 -0.210 0.000 0.909 392 D CB 0.695 41.428 40.800 -0.112 0.000 1.513 392 D HN 0.398 nan 8.370 nan 0.000 0.514 393 D N 1.926 122.210 120.400 -0.193 0.000 2.144 393 D HA -0.040 4.601 4.640 0.001 0.000 0.200 393 D C 1.757 177.928 176.300 -0.215 0.000 0.978 393 D CA 1.410 55.311 54.000 -0.165 0.000 0.833 393 D CB 0.321 41.037 40.800 -0.139 0.000 0.961 393 D HN 0.394 nan 8.370 nan 0.000 0.470 394 A N -0.152 122.461 122.820 -0.346 0.000 2.066 394 A HA -0.016 4.304 4.320 0.001 0.000 0.218 394 A C 1.050 178.339 177.584 -0.492 0.000 1.157 394 A CA 1.354 53.031 52.037 -0.599 0.000 0.670 394 A CB -0.213 17.990 19.000 -1.328 0.000 0.804 394 A HN 0.280 nan 8.150 nan 0.000 0.453 395 D N -4.336 115.901 120.400 -0.271 0.000 3.041 395 D HA -0.205 4.436 4.640 0.001 0.000 0.220 395 D C 0.270 176.618 176.300 0.081 0.000 1.157 395 D CA 1.028 54.988 54.000 -0.066 0.000 0.876 395 D CB -1.645 39.143 40.800 -0.020 0.000 1.107 395 D HN 0.485 nan 8.370 nan 0.000 0.422 396 Y N 0.014 120.365 120.300 0.085 0.000 2.163 396 Y HA -0.041 4.509 4.550 0.001 0.000 0.288 396 Y C 2.600 178.631 175.900 0.218 0.000 1.136 396 Y CA 1.665 59.838 58.100 0.122 0.000 1.147 396 Y CB -0.485 38.020 38.460 0.075 0.000 0.987 396 Y HN 0.329 nan 8.280 nan 0.000 0.509 397 Q N -1.009 119.019 119.800 0.380 0.000 2.373 397 Q HA 0.013 4.354 4.340 0.001 0.000 0.210 397 Q C 2.289 178.592 176.000 0.504 0.000 0.913 397 Q CA -0.000 56.060 55.803 0.429 0.000 0.911 397 Q CB 0.084 29.030 28.738 0.348 0.000 1.040 397 Q HN 0.331 nan 8.270 nan 0.000 0.521 398 R N 1.162 121.869 120.500 0.345 0.000 2.103 398 R HA -0.155 4.186 4.340 0.001 0.000 0.242 398 R C -0.891 175.603 176.300 0.323 0.000 1.142 398 R CA 1.620 57.923 56.100 0.338 0.000 0.960 398 R CB -0.751 29.667 30.300 0.197 0.000 0.858 398 R HN 0.135 nan 8.270 nan 0.000 0.439 399 P HA -0.164 nan 4.420 nan 0.000 0.216 399 P C 0.458 177.776 177.300 0.029 0.000 1.153 399 P CA 1.478 64.596 63.100 0.029 0.000 0.858 399 P CB -0.113 31.514 31.700 -0.121 0.000 0.789 400 Y N -2.977 117.465 120.300 0.237 0.000 2.220 400 Y HA -0.165 4.385 4.550 0.001 0.000 0.291 400 Y C 2.577 178.798 175.900 0.534 0.000 1.129 400 Y CA 1.138 59.410 58.100 0.286 0.000 1.161 400 Y CB -1.363 37.208 38.460 0.186 0.000 0.997 400 Y HN -0.073 nan 8.280 nan 0.000 0.522 401 Y N 0.213 120.963 120.300 0.751 0.000 2.145 401 Y HA -0.276 4.274 4.550 0.001 0.000 0.286 401 Y C 2.389 178.614 175.900 0.543 0.000 1.145 401 Y CA 1.391 59.922 58.100 0.718 0.000 1.148 401 Y CB -0.621 38.195 38.460 0.593 0.000 0.981 401 Y HN 0.143 nan 8.280 nan 0.000 0.507 402 L N -0.578 120.981 121.223 0.560 0.000 1.970 402 L HA -0.179 4.161 4.340 0.001 0.000 0.212 402 L C 2.276 179.258 176.870 0.187 0.000 1.071 402 L CA 1.939 56.973 54.840 0.322 0.000 0.751 402 L CB -1.141 40.956 42.059 0.064 0.000 0.889 402 L HN 0.130 nan 8.230 nan 0.000 0.432 403 V N -0.670 119.332 119.914 0.148 0.000 2.343 403 V HA -0.271 3.849 4.120 0.001 0.000 0.247 403 V C 2.572 178.737 176.094 0.119 0.000 1.051 403 V CA 1.915 64.269 62.300 0.091 0.000 1.036 403 V CB -0.807 31.029 31.823 0.021 0.000 0.654 403 V HN 0.536 nan 8.190 nan 0.000 0.451 404 S N -1.017 114.778 115.700 0.157 0.000 2.368 404 S HA -0.208 4.262 4.470 0.001 0.000 0.224 404 S C 1.866 176.450 174.600 -0.028 0.000 1.029 404 S CA 1.651 59.897 58.200 0.077 0.000 0.988 404 S CB -0.373 62.884 63.200 0.095 0.000 0.838 404 S HN 0.726 nan 8.310 nan 0.000 0.462 405 H N 0.349 119.402 119.070 -0.028 0.000 2.395 405 H HA 0.106 4.662 4.556 0.001 0.000 0.299 405 H C 2.079 177.425 175.328 0.030 0.000 1.070 405 H CA 1.095 57.137 56.048 -0.010 0.000 1.356 405 H CB -0.339 29.448 29.762 0.042 0.000 1.401 405 H HN 0.122 nan 8.280 nan 0.000 0.524 406 V N 0.503 120.453 119.914 0.061 0.000 2.343 406 V HA -0.306 3.814 4.120 0.001 0.000 0.247 406 V C 2.053 178.289 176.094 0.236 0.000 1.051 406 V CA 1.977 64.290 62.300 0.022 0.000 1.036 406 V CB -0.672 31.136 31.823 -0.026 0.000 0.654 406 V HN 0.491 nan 8.190 nan 0.000 0.451 407 Y N 1.231 121.537 120.300 0.010 0.000 2.165 407 Y HA -0.267 4.283 4.550 0.000 0.000 0.286 407 Y C 2.608 178.443 175.900 -0.108 0.000 1.155 407 Y CA 1.863 59.863 58.100 -0.166 0.000 1.164 407 Y CB -0.244 38.005 38.460 -0.352 0.000 0.978 407 Y HN 0.244 nan 8.280 nan 0.000 0.513 408 Q N -0.343 119.326 119.800 -0.218 0.000 2.224 408 Q HA -0.109 4.232 4.340 0.001 0.000 0.203 408 Q C 2.475 178.423 176.000 -0.087 0.000 0.970 408 Q CA 1.481 57.131 55.803 -0.255 0.000 0.865 408 Q CB -0.511 28.147 28.738 -0.133 0.000 0.922 408 Q HN 0.512 nan 8.270 nan 0.000 0.445 409 V N 0.621 120.567 119.914 0.053 0.000 2.453 409 V HA -0.218 3.903 4.120 0.001 0.000 0.247 409 V C 2.395 178.521 176.094 0.054 0.000 1.048 409 V CA 1.618 64.013 62.300 0.158 0.000 1.049 409 V CB -0.767 31.276 31.823 0.366 0.000 0.672 409 V HN 0.459 nan 8.190 nan 0.000 0.457 410 H N 0.765 119.743 119.070 -0.153 0.000 2.352 410 H HA -0.149 4.407 4.556 0.000 0.000 0.299 410 H C 2.584 177.659 175.328 -0.421 0.000 1.097 410 H CA 2.044 57.763 56.048 -0.549 0.000 1.311 410 H CB 0.098 29.392 29.762 -0.780 0.000 1.377 410 H HN 0.283 nan 8.280 nan 0.000 0.504 411 R N 0.003 120.274 120.500 -0.381 0.000 2.080 411 R HA -0.125 4.215 4.340 0.001 0.000 0.236 411 R C 2.628 178.911 176.300 -0.028 0.000 1.137 411 R CA 1.317 57.236 56.100 -0.302 0.000 0.943 411 R CB -0.322 29.702 30.300 -0.461 0.000 0.846 411 R HN 0.356 nan 8.270 nan 0.000 0.431 412 A N 1.008 123.862 122.820 0.056 0.000 1.883 412 A HA -0.184 4.136 4.320 0.001 0.000 0.217 412 A C 2.143 179.629 177.584 -0.163 0.000 1.186 412 A CA 1.441 53.455 52.037 -0.037 0.000 0.624 412 A CB -0.563 18.375 19.000 -0.104 0.000 0.822 412 A HN 0.262 nan 8.150 nan 0.000 0.444 413 I N -0.207 120.233 120.570 -0.216 0.000 2.179 413 I HA -0.290 3.881 4.170 0.001 0.000 0.242 413 I C 2.499 178.447 176.117 -0.282 0.000 1.088 413 I CA 1.494 62.627 61.300 -0.278 0.000 1.357 413 I CB -0.492 37.325 38.000 -0.306 0.000 1.051 413 I HN 0.458 nan 8.210 nan 0.000 0.409 414 N N 0.795 119.299 118.700 -0.327 0.000 2.137 414 N HA -0.198 4.542 4.740 0.001 0.000 0.190 414 N C 1.819 177.255 175.510 -0.123 0.000 1.017 414 N CA 1.926 54.825 53.050 -0.251 0.000 0.859 414 N CB 0.040 38.363 38.487 -0.274 0.000 1.002 414 N HN 0.396 nan 8.380 nan 0.000 0.428 415 S N -1.212 114.447 115.700 -0.069 0.000 2.607 415 S HA 0.190 4.660 4.470 0.001 0.000 0.224 415 S C 1.331 175.902 174.600 -0.048 0.000 0.969 415 S CA 0.815 59.013 58.200 -0.003 0.000 0.927 415 S CB 0.347 63.609 63.200 0.104 0.000 0.772 415 S HN 0.480 nan 8.310 nan 0.000 0.533 416 G N 0.301 109.012 108.800 -0.147 0.000 2.201 416 G HA2 -0.034 3.926 3.960 0.001 0.000 0.212 416 G HA3 -0.034 3.926 3.960 0.001 0.000 0.212 416 G C 0.217 174.769 174.900 -0.579 0.000 0.994 416 G CA -0.251 44.740 45.100 -0.182 0.000 0.644 416 G HN 1.234 nan 8.290 nan 0.000 0.508 417 A N 0.502 122.865 122.820 -0.761 0.000 2.488 417 A HA 0.489 4.809 4.320 0.001 0.000 0.249 417 A C 0.211 177.155 177.584 -1.066 0.000 1.083 417 A CA 0.598 51.831 52.037 -1.339 0.000 0.768 417 A CB 0.369 19.008 19.000 -0.602 0.000 1.017 417 A HN 0.322 nan 8.150 nan 0.000 0.496 418 D N 2.557 122.079 120.400 -1.462 0.000 2.393 418 D HA 0.384 5.024 4.640 0.001 0.000 0.232 418 D C -0.812 175.336 176.300 -0.253 0.000 1.192 418 D CA 0.249 53.871 54.000 -0.629 0.000 0.882 418 D CB 0.342 40.895 40.800 -0.411 0.000 1.038 418 D HN 0.127 nan 8.370 nan 0.000 0.499 419 V N 5.720 125.546 119.914 -0.147 0.000 2.531 419 V HA 0.411 4.532 4.120 0.001 0.000 0.301 419 V C 1.115 177.222 176.094 0.022 0.000 1.034 419 V CA -0.753 61.535 62.300 -0.019 0.000 0.865 419 V CB 1.883 33.774 31.823 0.114 0.000 0.995 419 V HN 0.427 nan 8.190 nan 0.000 0.424 420 R N 2.554 122.850 120.500 -0.339 0.000 2.437 420 R HA 0.507 4.848 4.340 0.001 0.000 0.257 420 R C 0.630 176.376 176.300 -0.924 0.000 0.927 420 R CA 0.363 56.129 56.100 -0.557 0.000 1.078 420 R CB 1.522 31.345 30.300 -0.796 0.000 1.161 420 R HN 0.825 nan 8.270 nan 0.000 0.529 421 G N 0.295 108.523 108.800 -0.953 0.000 2.523 421 G HA2 0.299 4.260 3.960 0.001 0.000 0.291 421 G HA3 0.299 4.260 3.960 0.001 0.000 0.291 421 G C -2.391 172.283 174.900 -0.376 0.000 1.450 421 G CA -0.585 43.857 45.100 -1.098 0.000 0.790 421 G HN 0.075 nan 8.290 nan 0.000 0.496 422 Y N 0.429 120.508 120.300 -0.368 0.000 2.346 422 Y HA 0.727 5.277 4.550 0.001 0.000 0.332 422 Y C -1.615 174.447 175.900 0.271 0.000 0.985 422 Y CA -1.095 57.087 58.100 0.136 0.000 1.112 422 Y CB 1.686 40.365 38.460 0.366 0.000 1.170 422 Y HN 0.420 nan 8.280 nan 0.000 0.447 423 L N 6.838 127.952 121.223 -0.181 0.000 2.342 423 L HA 0.335 4.675 4.340 0.001 0.000 0.276 423 L C -0.556 176.255 176.870 -0.098 0.000 0.997 423 L CA -0.640 54.204 54.840 0.007 0.000 0.838 423 L CB 0.973 43.040 42.059 0.013 0.000 1.224 423 L HN 0.699 nan 8.230 nan 0.000 0.416 424 H N 2.845 121.923 119.070 0.014 0.000 2.732 424 H HA 0.105 4.662 4.556 0.001 0.000 0.351 424 H C -1.069 174.412 175.328 0.255 0.000 1.090 424 H CA 0.192 56.275 56.048 0.058 0.000 1.431 424 H CB 0.766 30.570 29.762 0.070 0.000 1.447 424 H HN 0.582 nan 8.280 nan 0.000 0.582 425 W N 6.465 127.609 121.300 -0.260 0.000 2.283 425 W HA 0.423 5.083 4.660 0.000 0.000 0.317 425 W C -1.032 175.482 176.519 -0.008 0.000 1.042 425 W CA -0.282 57.042 57.345 -0.036 0.000 1.348 425 W CB 1.013 30.484 29.460 0.018 0.000 1.216 425 W HN 0.520 nan 8.180 nan 0.000 0.404 426 S N 3.615 119.241 115.700 -0.122 0.000 2.720 426 S HA 0.306 4.776 4.470 0.001 0.000 0.287 426 S C 0.360 174.922 174.600 -0.063 0.000 1.168 426 S CA -0.663 57.340 58.200 -0.328 0.000 0.832 426 S CB 1.253 63.850 63.200 -1.005 0.000 1.166 426 S HN 0.460 nan 8.310 nan 0.000 0.493 427 L N 2.164 123.288 121.223 -0.165 0.000 2.012 427 L HA 0.338 4.678 4.340 0.001 0.000 0.210 427 L C 0.664 177.321 176.870 -0.356 0.000 1.073 427 L CA 2.474 57.060 54.840 -0.423 0.000 0.748 427 L CB -0.744 40.657 42.059 -1.098 0.000 0.891 427 L HN 0.740 nan 8.230 nan 0.000 0.431 428 A N -1.909 120.739 122.820 -0.286 0.000 2.527 428 A HA 0.528 4.848 4.320 0.001 0.000 0.293 428 A C -1.030 176.500 177.584 -0.091 0.000 1.117 428 A CA -0.849 51.038 52.037 -0.252 0.000 0.723 428 A CB 0.479 19.222 19.000 -0.428 0.000 1.313 428 A HN 0.135 nan 8.150 nan 0.000 0.411 429 D N 0.784 121.163 120.400 -0.035 0.000 2.419 429 D HA 0.355 4.995 4.640 0.001 0.000 0.236 429 D C 0.077 176.516 176.300 0.232 0.000 1.165 429 D CA 1.128 55.200 54.000 0.121 0.000 0.882 429 D CB 0.415 41.282 40.800 0.112 0.000 1.201 429 D HN 0.710 nan 8.370 nan 0.000 0.443 430 N N -1.167 117.750 118.700 0.362 0.000 3.277 430 N HA 0.165 4.905 4.740 0.001 0.000 0.278 430 N C -1.656 174.089 175.510 0.393 0.000 1.544 430 N CA -0.919 52.373 53.050 0.404 0.000 0.869 430 N CB 0.360 38.962 38.487 0.191 0.000 1.584 430 N HN 0.278 nan 8.380 nan 0.000 0.564 431 Y N 0.440 120.760 120.300 0.033 0.000 2.531 431 Y HA 0.275 4.825 4.550 0.001 0.000 0.347 431 Y C 0.148 175.782 175.900 -0.443 0.000 1.024 431 Y CA -0.232 57.626 58.100 -0.403 0.000 1.306 431 Y CB 0.714 38.792 38.460 -0.638 0.000 1.149 431 Y HN 0.706 nan 8.280 nan 0.000 0.527 432 E N 6.848 126.721 120.200 -0.546 0.000 2.232 432 E HA 0.174 4.524 4.350 0.001 0.000 0.296 432 E C -0.607 175.812 176.600 -0.302 0.000 1.372 432 E CA -0.012 56.212 56.400 -0.292 0.000 1.527 432 E CB -0.576 29.152 29.700 0.046 0.000 1.424 432 E HN 0.741 nan 8.360 nan 0.000 0.485 433 W N 0.847 121.912 121.300 -0.390 0.000 1.922 433 W HA -0.467 4.193 4.660 0.000 0.000 0.275 433 W C 1.789 178.250 176.519 -0.097 0.000 1.129 433 W CA 0.857 58.044 57.345 -0.263 0.000 1.077 433 W CB -1.655 27.752 29.460 -0.089 0.000 0.883 433 W HN 0.314 nan 8.180 nan 0.000 0.546 434 A N -0.336 122.849 122.820 0.609 0.000 2.067 434 A HA -0.048 4.272 4.320 0.001 0.000 0.219 434 A C 1.732 179.440 177.584 0.207 0.000 1.158 434 A CA 2.158 54.486 52.037 0.485 0.000 0.661 434 A CB -0.897 18.481 19.000 0.629 0.000 0.801 434 A HN 0.449 nan 8.150 nan 0.000 0.452 435 S N -1.089 114.699 115.700 0.148 0.000 2.489 435 S HA 0.363 4.834 4.470 0.001 0.000 0.228 435 S C 1.360 175.831 174.600 -0.214 0.000 0.995 435 S CA 0.709 58.903 58.200 -0.010 0.000 0.934 435 S CB -0.439 62.743 63.200 -0.029 0.000 0.771 435 S HN 1.538 nan 8.310 nan 0.000 0.522 436 G N 1.341 109.845 108.800 -0.492 0.000 2.593 436 G HA2 -0.261 3.699 3.960 0.001 0.000 0.237 436 G HA3 -0.261 3.699 3.960 0.001 0.000 0.237 436 G C 0.159 174.682 174.900 -0.627 0.000 1.312 436 G CA 0.001 44.647 45.100 -0.757 0.000 0.896 436 G HN 0.276 nan 8.290 nan 0.000 0.574 437 F N 2.010 121.835 119.950 -0.208 0.000 2.661 437 F HA 0.131 4.659 4.527 0.001 0.000 0.298 437 F C 2.926 178.668 175.800 -0.097 0.000 1.137 437 F CA 1.495 59.384 58.000 -0.184 0.000 1.454 437 F CB -0.089 38.667 39.000 -0.406 0.000 1.103 437 F HN 0.538 nan 8.300 nan 0.000 0.577 438 S N -0.759 114.942 115.700 0.001 0.000 2.447 438 S HA -0.067 4.404 4.470 0.001 0.000 0.233 438 S C 1.060 175.592 174.600 -0.112 0.000 1.006 438 S CA 0.532 58.709 58.200 -0.038 0.000 0.957 438 S CB -0.337 62.813 63.200 -0.083 0.000 0.773 438 S HN 0.050 nan 8.310 nan 0.000 0.507 439 M N 2.698 122.197 119.600 -0.169 0.000 2.094 439 M HA 0.385 4.865 4.480 0.001 0.000 0.348 439 M C -0.379 175.906 176.300 -0.026 0.000 1.267 439 M CA 0.320 55.463 55.300 -0.262 0.000 1.125 439 M CB 0.452 32.774 32.600 -0.464 0.000 1.527 439 M HN 0.199 nan 8.290 nan 0.000 0.447 440 R N 2.438 122.865 120.500 -0.121 0.000 2.275 440 R HA 0.346 4.687 4.340 0.001 0.000 0.326 440 R C -0.203 176.061 176.300 -0.061 0.000 0.973 440 R CA -0.169 55.943 56.100 0.020 0.000 0.854 440 R CB 0.857 31.158 30.300 0.002 0.000 1.156 440 R HN 0.504 nan 8.270 nan 0.000 0.487 441 F N 0.394 120.393 119.950 0.081 0.000 2.695 441 F HA 0.233 4.760 4.527 0.001 0.000 0.303 441 F C 1.626 177.465 175.800 0.065 0.000 1.091 441 F CA -0.328 57.745 58.000 0.122 0.000 1.300 441 F CB 0.776 39.976 39.000 0.334 0.000 1.071 441 F HN 0.549 nan 8.300 nan 0.000 0.578 442 G N 0.246 109.135 108.800 0.148 0.000 2.442 442 G HA2 0.289 4.250 3.960 0.001 0.000 0.249 442 G HA3 0.289 4.250 3.960 0.001 0.000 0.249 442 G C 0.915 175.831 174.900 0.026 0.000 1.263 442 G CA -0.423 44.698 45.100 0.036 0.000 0.846 442 G HN 0.250 nan 8.290 nan 0.000 0.555 443 L N 0.902 122.122 121.223 -0.004 0.000 2.131 443 L HA 0.039 4.379 4.340 0.001 0.000 0.210 443 L C 0.956 177.711 176.870 -0.191 0.000 1.092 443 L CA 0.892 55.675 54.840 -0.095 0.000 0.759 443 L CB -0.441 41.530 42.059 -0.147 0.000 0.903 443 L HN 0.320 nan 8.230 nan 0.000 0.435 444 L N -0.110 120.962 121.223 -0.252 0.000 2.317 444 L HA 0.341 4.681 4.340 0.001 0.000 0.281 444 L C 0.001 176.777 176.870 -0.156 0.000 1.024 444 L CA -0.538 54.145 54.840 -0.262 0.000 0.810 444 L CB 1.508 43.313 42.059 -0.423 0.000 1.240 444 L HN -0.085 nan 8.230 nan 0.000 0.427 445 K N 2.011 122.373 120.400 -0.064 0.000 2.249 445 K HA 0.453 4.773 4.320 0.001 0.000 0.280 445 K C -1.013 175.551 176.600 -0.059 0.000 1.033 445 K CA -0.488 55.775 56.287 -0.041 0.000 0.946 445 K CB 1.289 33.789 32.500 -0.000 0.000 1.005 445 K HN 0.380 nan 8.250 nan 0.000 0.469 446 V N 4.131 123.930 119.914 -0.193 0.000 2.394 446 V HA 0.069 4.189 4.120 0.001 0.000 0.282 446 V C -0.269 175.610 176.094 -0.358 0.000 1.031 446 V CA -0.775 61.303 62.300 -0.370 0.000 0.881 446 V CB 1.391 32.769 31.823 -0.742 0.000 0.982 446 V HN 0.819 nan 8.190 nan 0.000 0.451 447 D N 3.417 123.722 120.400 -0.158 0.000 2.339 447 D HA 0.140 4.780 4.640 0.001 0.000 0.241 447 D C 0.344 176.529 176.300 -0.191 0.000 1.183 447 D CA -0.041 53.905 54.000 -0.091 0.000 0.859 447 D CB 0.891 41.749 40.800 0.096 0.000 1.067 447 D HN 0.506 nan 8.370 nan 0.000 0.484 448 Y N 2.678 122.923 120.300 -0.091 0.000 2.509 448 Y HA -0.031 4.520 4.550 0.001 0.000 0.293 448 Y C 1.910 177.740 175.900 -0.117 0.000 1.133 448 Y CA 0.632 58.630 58.100 -0.170 0.000 1.283 448 Y CB -0.140 38.106 38.460 -0.356 0.000 1.001 448 Y HN 0.497 nan 8.280 nan 0.000 0.555 449 N N -1.040 117.688 118.700 0.046 0.000 2.207 449 N HA -0.122 4.618 4.740 0.001 0.000 0.182 449 N C 1.671 177.191 175.510 0.016 0.000 1.020 449 N CA 1.720 54.786 53.050 0.027 0.000 0.858 449 N CB -0.123 38.377 38.487 0.022 0.000 0.991 449 N HN 0.292 nan 8.380 nan 0.000 0.427 450 T N -2.284 112.275 114.554 0.008 0.000 3.022 450 T HA 0.218 4.569 4.350 0.001 0.000 0.250 450 T C 0.507 175.197 174.700 -0.017 0.000 1.060 450 T CA -0.142 61.958 62.100 0.001 0.000 1.013 450 T CB 0.360 69.235 68.868 0.010 0.000 0.982 450 T HN -0.065 nan 8.240 nan 0.000 0.508 451 K N 0.233 120.611 120.400 -0.037 0.000 3.472 451 K HA -0.155 4.166 4.320 0.001 0.000 0.315 451 K C 0.066 176.607 176.600 -0.098 0.000 1.320 451 K CA 0.589 56.842 56.287 -0.057 0.000 0.962 451 K CB -1.982 30.523 32.500 0.008 0.000 1.251 451 K HN 0.558 nan 8.250 nan 0.000 0.443 452 R N 0.568 121.001 120.500 -0.113 0.000 2.643 452 R HA 0.344 4.684 4.340 0.001 0.000 0.270 452 R C 0.552 176.668 176.300 -0.307 0.000 1.061 452 R CA -0.129 55.835 56.100 -0.227 0.000 1.107 452 R CB 0.380 30.517 30.300 -0.271 0.000 0.999 452 R HN 0.063 nan 8.270 nan 0.000 0.460 453 L N 3.534 124.507 121.223 -0.418 0.000 2.317 453 L HA 0.440 4.781 4.340 0.001 0.000 0.281 453 L C -0.937 175.672 176.870 -0.434 0.000 1.024 453 L CA -0.741 53.880 54.840 -0.365 0.000 0.810 453 L CB 0.913 42.745 42.059 -0.379 0.000 1.240 453 L HN 0.489 nan 8.230 nan 0.000 0.427 454 Y N -0.126 120.135 120.300 -0.066 0.000 2.485 454 Y HA 0.350 4.900 4.550 0.001 0.000 0.345 454 Y C -0.728 175.228 175.900 0.093 0.000 0.998 454 Y CA -0.558 57.573 58.100 0.052 0.000 1.059 454 Y CB 1.730 40.193 38.460 0.004 0.000 1.234 454 Y HN 0.409 nan 8.280 nan 0.000 0.461 455 W N 3.964 125.298 121.300 0.056 0.000 2.387 455 W HA 0.485 5.145 4.660 0.000 0.000 0.310 455 W C 0.205 176.741 176.519 0.029 0.000 1.181 455 W CA -0.927 56.424 57.345 0.011 0.000 1.333 455 W CB 0.344 29.802 29.460 -0.004 0.000 1.286 455 W HN 0.301 nan 8.180 nan 0.000 0.455 456 R N 4.298 124.879 120.500 0.135 0.000 2.641 456 R HA 0.067 4.408 4.340 0.001 0.000 0.269 456 R C -1.269 175.110 176.300 0.133 0.000 1.074 456 R CA -1.174 54.983 56.100 0.095 0.000 1.133 456 R CB 0.070 30.385 30.300 0.026 0.000 1.029 456 R HN 0.179 nan 8.270 nan 0.000 0.488 457 P HA -0.175 nan 4.420 nan 0.000 0.216 457 P C 0.756 178.120 177.300 0.107 0.000 1.150 457 P CA 1.406 64.577 63.100 0.118 0.000 0.843 457 P CB 0.236 31.990 31.700 0.091 0.000 0.787 458 S N -0.550 115.194 115.700 0.074 0.000 2.402 458 S HA -0.209 4.262 4.470 0.001 0.000 0.233 458 S C 2.004 176.633 174.600 0.048 0.000 1.030 458 S CA 1.410 59.639 58.200 0.048 0.000 1.003 458 S CB -1.008 62.209 63.200 0.028 0.000 0.813 458 S HN 0.194 nan 8.310 nan 0.000 0.477 459 A N 1.355 124.201 122.820 0.044 0.000 1.930 459 A HA 0.025 4.345 4.320 0.001 0.000 0.217 459 A C 2.077 179.779 177.584 0.198 0.000 1.175 459 A CA 1.042 53.068 52.037 -0.018 0.000 0.627 459 A CB -0.626 18.192 19.000 -0.303 0.000 0.815 459 A HN 0.467 nan 8.150 nan 0.000 0.443 460 L N -0.585 120.840 121.223 0.337 0.000 2.083 460 L HA -0.156 4.185 4.340 0.001 0.000 0.209 460 L C 2.470 179.454 176.870 0.189 0.000 1.083 460 L CA 0.963 55.996 54.840 0.321 0.000 0.752 460 L CB -0.645 41.552 42.059 0.230 0.000 0.899 460 L HN 0.223 nan 8.230 nan 0.000 0.433 461 V N -1.158 118.839 119.914 0.138 0.000 2.343 461 V HA -0.317 3.803 4.120 0.001 0.000 0.247 461 V C 2.298 178.468 176.094 0.127 0.000 1.051 461 V CA 1.704 64.061 62.300 0.095 0.000 1.036 461 V CB -0.670 31.183 31.823 0.051 0.000 0.654 461 V HN 0.351 nan 8.190 nan 0.000 0.451 462 Y N 1.050 121.329 120.300 -0.035 0.000 2.224 462 Y HA -0.176 4.374 4.550 0.001 0.000 0.289 462 Y C 2.770 178.639 175.900 -0.052 0.000 1.146 462 Y CA 1.727 59.779 58.100 -0.079 0.000 1.182 462 Y CB -0.482 37.920 38.460 -0.096 0.000 0.983 462 Y HN 0.102 nan 8.280 nan 0.000 0.524 463 R N 0.352 120.900 120.500 0.081 0.000 2.081 463 R HA -0.156 4.184 4.340 0.001 0.000 0.235 463 R C 1.906 178.204 176.300 -0.004 0.000 1.131 463 R CA 1.633 57.758 56.100 0.041 0.000 0.960 463 R CB -0.068 30.367 30.300 0.225 0.000 0.856 463 R HN 0.297 nan 8.270 nan 0.000 0.436 464 E N 0.808 121.024 120.200 0.027 0.000 2.070 464 E HA -0.214 4.137 4.350 0.001 0.000 0.197 464 E C 2.117 178.686 176.600 -0.052 0.000 1.004 464 E CA 1.428 57.831 56.400 0.005 0.000 0.805 464 E CB -0.349 29.367 29.700 0.028 0.000 0.744 464 E HN 0.463 nan 8.360 nan 0.000 0.451 465 I N 0.958 121.462 120.570 -0.110 0.000 2.142 465 I HA -0.270 3.900 4.170 0.001 0.000 0.240 465 I C 2.544 178.418 176.117 -0.405 0.000 1.078 465 I CA 1.276 62.416 61.300 -0.268 0.000 1.343 465 I CB -0.425 37.351 38.000 -0.374 0.000 1.046 465 I HN 0.012 nan 8.210 nan 0.000 0.405 466 A N 0.960 123.507 122.820 -0.455 0.000 1.873 466 A HA -0.207 4.113 4.320 0.001 0.000 0.215 466 A C 2.449 179.996 177.584 -0.062 0.000 1.186 466 A CA 2.385 54.233 52.037 -0.316 0.000 0.616 466 A CB -1.274 17.512 19.000 -0.356 0.000 0.823 466 A HN 0.537 nan 8.150 nan 0.000 0.442 467 T N -1.929 112.594 114.554 -0.051 0.000 2.833 467 T HA -0.117 4.233 4.350 0.001 0.000 0.269 467 T C 1.437 176.158 174.700 0.034 0.000 1.054 467 T CA 1.493 63.600 62.100 0.012 0.000 1.135 467 T CB -0.443 68.435 68.868 0.016 0.000 0.869 467 T HN 0.455 nan 8.240 nan 0.000 0.466 468 N N 1.116 119.830 118.700 0.022 0.000 2.373 468 N HA 0.152 4.893 4.740 0.001 0.000 0.181 468 N C 1.490 177.067 175.510 0.112 0.000 1.082 468 N CA 0.752 53.835 53.050 0.055 0.000 0.885 468 N CB 0.140 38.651 38.487 0.040 0.000 0.977 468 N HN 0.678 nan 8.380 nan 0.000 0.462 469 G N 1.019 109.905 108.800 0.143 0.000 2.249 469 G HA2 -0.138 3.822 3.960 0.001 0.000 0.273 469 G HA3 -0.138 3.822 3.960 0.001 0.000 0.273 469 G C -0.056 175.085 174.900 0.401 0.000 1.036 469 G CA 0.638 45.931 45.100 0.320 0.000 0.824 469 G HN 0.676 nan 8.290 nan 0.000 0.504 470 A N -1.170 121.802 122.820 0.254 0.000 2.605 470 A HA 0.705 5.025 4.320 0.001 0.000 0.294 470 A C -0.326 177.369 177.584 0.186 0.000 1.062 470 A CA -0.630 51.600 52.037 0.323 0.000 0.682 470 A CB 0.871 19.987 19.000 0.193 0.000 1.278 470 A HN 0.800 nan 8.150 nan 0.000 0.410 471 I N 2.886 123.614 120.570 0.264 0.000 2.421 471 I HA 0.199 4.369 4.170 0.001 0.000 0.291 471 I C 1.205 177.393 176.117 0.118 0.000 1.089 471 I CA 0.156 61.565 61.300 0.182 0.000 1.354 471 I CB 0.850 39.022 38.000 0.285 0.000 1.413 471 I HN 0.770 nan 8.210 nan 0.000 0.513 472 T N 0.857 115.452 114.554 0.068 0.000 2.828 472 T HA 0.103 4.453 4.350 0.001 0.000 0.290 472 T C 0.942 175.658 174.700 0.026 0.000 1.019 472 T CA -0.781 61.340 62.100 0.036 0.000 1.031 472 T CB 1.203 70.090 68.868 0.031 0.000 1.001 472 T HN 0.447 nan 8.240 nan 0.000 0.531 473 D N 0.775 121.174 120.400 -0.002 0.000 2.149 473 D HA -0.128 4.512 4.640 0.001 0.000 0.198 473 D C 2.128 178.447 176.300 0.032 0.000 0.990 473 D CA 1.218 55.212 54.000 -0.009 0.000 0.839 473 D CB -0.023 40.761 40.800 -0.027 0.000 0.948 473 D HN 0.787 nan 8.370 nan 0.000 0.460 474 E N 0.937 121.160 120.200 0.039 0.000 2.268 474 E HA -0.136 4.214 4.350 0.001 0.000 0.195 474 E C 2.163 178.844 176.600 0.135 0.000 0.995 474 E CA 0.545 56.980 56.400 0.058 0.000 0.836 474 E CB -0.472 29.250 29.700 0.037 0.000 0.763 474 E HN 0.534 nan 8.360 nan 0.000 0.491 475 I N -2.541 118.108 120.570 0.132 0.000 4.025 475 I HA 0.291 4.461 4.170 0.001 0.000 0.336 475 I C 1.771 177.930 176.117 0.070 0.000 1.390 475 I CA -0.287 61.095 61.300 0.137 0.000 1.099 475 I CB 0.282 38.311 38.000 0.048 0.000 1.049 475 I HN -0.222 nan 8.210 nan 0.000 0.394 476 E N 2.121 122.399 120.200 0.131 0.000 2.267 476 E HA -0.255 4.096 4.350 0.001 0.000 0.197 476 E C 1.962 178.608 176.600 0.077 0.000 0.998 476 E CA 1.464 57.927 56.400 0.105 0.000 0.830 476 E CB -0.104 29.654 29.700 0.095 0.000 0.751 476 E HN 0.775 nan 8.360 nan 0.000 0.491 477 H N -0.344 118.739 119.070 0.021 0.000 2.521 477 H HA -0.072 4.484 4.556 0.001 0.000 0.286 477 H C 1.759 177.122 175.328 0.058 0.000 1.034 477 H CA 0.618 56.685 56.048 0.033 0.000 1.278 477 H CB -0.390 29.390 29.762 0.030 0.000 1.386 477 H HN 0.252 nan 8.280 nan 0.000 0.567 478 L N 0.944 121.816 121.223 -0.585 0.000 2.551 478 L HA -0.035 4.306 4.340 0.001 0.000 0.228 478 L C 1.379 178.228 176.870 -0.036 0.000 1.153 478 L CA 0.242 54.818 54.840 -0.439 0.000 0.851 478 L CB -0.378 41.356 42.059 -0.541 0.000 0.959 478 L HN 0.303 nan 8.230 nan 0.000 0.451 479 N N 1.070 119.750 118.700 -0.033 0.000 3.103 479 N HA 0.020 4.761 4.740 0.001 0.000 0.305 479 N C -0.567 174.954 175.510 0.019 0.000 1.232 479 N CA 0.006 53.038 53.050 -0.030 0.000 1.190 479 N CB 0.170 38.526 38.487 -0.219 0.000 1.461 479 N HN 0.245 nan 8.380 nan 0.000 0.538 480 S N -0.944 114.860 115.700 0.173 0.000 2.636 480 S HA 0.265 4.735 4.470 0.001 0.000 0.268 480 S C -0.717 173.944 174.600 0.101 0.000 1.159 480 S CA -0.892 57.392 58.200 0.140 0.000 0.815 480 S CB 1.255 64.532 63.200 0.128 0.000 1.130 480 S HN -0.093 nan 8.310 nan 0.000 0.471 481 V N 2.540 122.382 119.914 -0.120 0.000 2.555 481 V HA 0.365 4.486 4.120 0.001 0.000 0.286 481 V C -2.245 173.392 176.094 -0.762 0.000 1.044 481 V CA -1.434 60.543 62.300 -0.538 0.000 1.026 481 V CB 0.442 32.102 31.823 -0.271 0.000 0.981 481 V HN 0.757 nan 8.190 nan 0.000 0.480 482 P HA 0.097 nan 4.420 nan 0.000 0.261 482 P C -2.544 174.391 177.300 -0.609 0.000 1.183 482 P CA -0.714 61.681 63.100 -1.175 0.000 0.761 482 P CB -0.299 31.006 31.700 -0.658 0.000 0.785 483 P HA -0.099 nan 4.420 nan 0.000 0.261 483 P C 1.117 178.327 177.300 -0.150 0.000 1.183 483 P CA 0.294 63.262 63.100 -0.220 0.000 0.761 483 P CB 0.321 31.939 31.700 -0.137 0.000 0.785 484 V N 2.213 122.085 119.914 -0.072 0.000 2.788 484 V HA -0.142 3.979 4.120 0.001 0.000 0.251 484 V C 2.206 178.353 176.094 0.088 0.000 1.068 484 V CA 1.588 63.901 62.300 0.021 0.000 1.090 484 V CB -1.037 30.843 31.823 0.095 0.000 0.710 484 V HN 0.377 nan 8.190 nan 0.000 0.467 485 K N 1.871 122.311 120.400 0.066 0.000 2.044 485 K HA -0.076 4.244 4.320 0.001 0.000 0.210 485 K C 0.288 176.875 176.600 -0.022 0.000 1.049 485 K CA 2.222 58.558 56.287 0.082 0.000 0.927 485 K CB -2.137 30.389 32.500 0.043 0.000 0.713 485 K HN 0.739 nan 8.250 nan 0.000 0.443 486 P HA 0.191 nan 4.420 nan 0.000 0.241 486 P C 0.069 177.251 177.300 -0.196 0.000 1.191 486 P CA 0.418 63.441 63.100 -0.127 0.000 0.771 486 P CB 0.005 31.627 31.700 -0.130 0.000 0.929 487 L N -0.750 120.341 121.223 -0.220 0.000 2.431 487 L HA 0.356 4.696 4.340 0.001 0.000 0.260 487 L C 1.060 177.709 176.870 -0.369 0.000 1.098 487 L CA -1.267 53.433 54.840 -0.234 0.000 0.800 487 L CB 0.645 42.618 42.059 -0.142 0.000 1.210 487 L HN -0.199 nan 8.230 nan 0.000 0.465 488 R N -0.009 120.350 120.500 -0.235 0.000 2.623 488 R HA 0.126 4.466 4.340 0.001 0.000 0.271 488 R C -0.775 175.353 176.300 -0.287 0.000 1.043 488 R CA 0.090 56.050 56.100 -0.235 0.000 1.083 488 R CB 0.341 30.596 30.300 -0.075 0.000 0.974 488 R HN 0.543 nan 8.270 nan 0.000 0.436 489 H N 0.000 119.075 119.070 0.008 0.000 2.539 489 H HA 0.000 4.556 4.556 0.001 0.000 0.296 489 H CA 0.000 56.054 56.048 0.010 0.000 1.023 489 H CB 0.000 29.765 29.762 0.004 0.000 1.292 489 H HN 0.000 nan 8.280 nan 0.000 0.496