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 1uwt_1_A 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 0.000 175.931 176.300 -0.614 0.000 1.140 1 M CA 0.000 55.092 55.300 -0.346 0.000 0.988 1 M CB 0.000 32.512 32.600 -0.146 0.000 1.302 2 Y N 1.124 121.329 120.300 -0.159 0.000 2.363 2 Y HA 0.613 5.163 4.550 -0.000 0.000 0.325 2 Y C -0.379 175.378 175.900 -0.239 0.000 0.984 2 Y CA -0.531 57.289 58.100 -0.466 0.000 1.248 2 Y CB 2.248 40.286 38.460 -0.705 0.000 1.116 2 Y HN 0.697 nan 8.280 nan 0.000 0.470 3 S N 3.611 119.335 115.700 0.041 0.000 2.541 3 S HA 0.604 5.074 4.470 -0.000 0.000 0.283 3 S C -0.744 173.924 174.600 0.114 0.000 1.196 3 S CA -0.547 57.748 58.200 0.160 0.000 1.062 3 S CB 0.511 63.778 63.200 0.112 0.000 1.009 3 S HN 0.365 nan 8.310 nan 0.000 0.502 4 F N 2.302 122.348 119.950 0.159 0.000 2.440 4 F HA 0.469 4.996 4.527 -0.000 0.000 0.328 4 F C -1.770 174.047 175.800 0.029 0.000 1.070 4 F CA -2.034 55.974 58.000 0.013 0.000 1.011 4 F CB 0.094 39.026 39.000 -0.113 0.000 1.226 4 F HN 0.337 nan 8.300 nan 0.000 0.491 5 P HA -0.025 nan 4.420 nan 0.000 0.267 5 P C 0.369 177.781 177.300 0.186 0.000 1.195 5 P CA 0.248 63.423 63.100 0.124 0.000 0.773 5 P CB 0.511 32.275 31.700 0.106 0.000 0.837 6 N N 0.364 119.136 118.700 0.119 0.000 2.364 6 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 6 N C 1.154 176.724 175.510 0.100 0.000 1.022 6 N CA 1.452 54.569 53.050 0.112 0.000 0.883 6 N CB -0.131 38.397 38.487 0.068 0.000 0.965 6 N HN 0.476 nan 8.380 nan 0.000 0.438 7 S N -0.361 115.385 115.700 0.078 0.000 2.548 7 S HA 0.076 4.546 4.470 -0.000 0.000 0.215 7 S C 0.392 174.988 174.600 -0.007 0.000 0.976 7 S CA -0.553 57.652 58.200 0.008 0.000 0.908 7 S CB -0.368 62.808 63.200 -0.039 0.000 0.781 7 S HN 0.172 nan 8.310 nan 0.000 0.519 8 F N 3.400 123.315 119.950 -0.058 0.000 2.484 8 F HA 0.447 4.974 4.527 -0.000 0.000 0.360 8 F C 0.633 176.342 175.800 -0.151 0.000 1.101 8 F CA -0.549 57.383 58.000 -0.114 0.000 1.251 8 F CB 0.587 39.566 39.000 -0.035 0.000 1.132 8 F HN -0.042 nan 8.300 nan 0.000 0.570 9 R N 5.454 125.547 120.500 -0.678 0.000 2.562 9 R HA 0.411 4.751 4.340 -0.000 0.000 0.298 9 R C -1.644 174.364 176.300 -0.486 0.000 0.961 9 R CA -0.843 55.036 56.100 -0.367 0.000 0.881 9 R CB 1.594 31.729 30.300 -0.275 0.000 1.159 9 R HN 0.493 nan 8.270 nan 0.000 0.450 10 F N 0.580 120.546 119.950 0.028 0.000 2.421 10 F HA 0.635 5.162 4.527 -0.000 0.000 0.337 10 F C 1.049 176.942 175.800 0.156 0.000 1.105 10 F CA 0.113 58.211 58.000 0.162 0.000 1.049 10 F CB 2.086 41.131 39.000 0.074 0.000 1.139 10 F HN 0.676 nan 8.300 nan 0.000 0.479 11 G N 1.752 110.840 108.800 0.480 0.000 2.726 11 G HA2 0.475 4.435 3.960 -0.000 0.000 0.198 11 G HA3 0.475 4.435 3.960 -0.000 0.000 0.198 11 G C -2.250 173.045 174.900 0.659 0.000 1.195 11 G CA -0.509 44.882 45.100 0.484 0.000 0.951 11 G HN 0.752 nan 8.290 nan 0.000 0.532 12 W N -0.220 121.203 121.300 0.204 0.000 3.137 12 W HA 0.820 5.480 4.660 -0.000 0.000 0.324 12 W C -1.093 175.486 176.519 0.100 0.000 1.253 12 W CA -0.845 56.600 57.345 0.167 0.000 1.183 12 W CB 1.204 30.752 29.460 0.147 0.000 1.424 12 W HN 0.579 nan 8.180 nan 0.000 0.566 13 S N 1.685 117.431 115.700 0.077 0.000 2.607 13 S HA 0.687 5.157 4.470 -0.000 0.000 0.303 13 S C -1.343 173.216 174.600 -0.068 0.000 1.086 13 S CA -0.723 57.479 58.200 0.004 0.000 0.995 13 S CB 1.841 65.234 63.200 0.322 0.000 1.084 13 S HN 0.556 nan 8.310 nan 0.000 0.507 14 Q N 0.088 119.866 119.800 -0.036 0.000 2.472 14 Q HA 0.648 4.988 4.340 -0.000 0.000 0.281 14 Q C -2.082 173.971 176.000 0.089 0.000 0.997 14 Q CA -0.658 55.032 55.803 -0.189 0.000 0.828 14 Q CB 1.789 30.488 28.738 -0.064 0.000 1.443 14 Q HN 0.798 nan 8.270 nan 0.000 0.390 15 A N 0.874 123.729 122.820 0.058 0.000 2.355 15 A HA 0.727 5.046 4.320 -0.000 0.000 0.324 15 A C 0.668 178.268 177.584 0.027 0.000 1.117 15 A CA 0.124 52.089 52.037 -0.119 0.000 0.785 15 A CB 1.243 19.823 19.000 -0.700 0.000 1.254 15 A HN 0.911 nan 8.150 nan 0.000 0.453 16 G N 0.253 109.150 108.800 0.162 0.000 2.433 16 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 16 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 16 G C 1.257 176.290 174.900 0.222 0.000 1.186 16 G CA 1.442 46.716 45.100 0.291 0.000 0.779 16 G HN 0.761 nan 8.290 nan 0.000 0.543 17 F N 1.510 121.485 119.950 0.041 0.000 2.171 17 F HA -0.065 4.462 4.527 -0.000 0.000 0.300 17 F C 2.927 178.633 175.800 -0.157 0.000 1.090 17 F CA 1.886 59.868 58.000 -0.030 0.000 1.293 17 F CB -0.028 38.962 39.000 -0.017 0.000 1.013 17 F HN 0.215 nan 8.300 nan 0.000 0.486 18 Q N -1.273 118.423 119.800 -0.174 0.000 2.187 18 Q HA -0.059 4.281 4.340 -0.000 0.000 0.199 18 Q C 1.947 177.923 176.000 -0.039 0.000 0.957 18 Q CA 1.510 57.173 55.803 -0.233 0.000 0.857 18 Q CB 0.013 28.607 28.738 -0.241 0.000 0.929 18 Q HN 0.302 nan 8.270 nan 0.000 0.453 19 S N -0.241 115.471 115.700 0.019 0.000 2.575 19 S HA 0.051 4.521 4.470 -0.000 0.000 0.230 19 S C 1.337 176.039 174.600 0.170 0.000 1.062 19 S CA -0.204 58.065 58.200 0.115 0.000 0.913 19 S CB 0.443 63.669 63.200 0.043 0.000 0.837 19 S HN 0.246 nan 8.310 nan 0.000 0.487 20 E N 1.363 121.668 120.200 0.175 0.000 2.051 20 E HA 0.003 4.353 4.350 -0.000 0.000 0.192 20 E C 0.322 177.017 176.600 0.157 0.000 0.991 20 E CA 0.816 57.375 56.400 0.264 0.000 0.799 20 E CB -0.057 29.800 29.700 0.262 0.000 0.748 20 E HN 0.436 nan 8.360 nan 0.000 0.449 21 M N -0.796 118.818 119.600 0.024 0.000 2.241 21 M HA 0.211 4.691 4.480 -0.000 0.000 0.335 21 M C 0.894 177.233 176.300 0.064 0.000 1.122 21 M CA 0.849 56.140 55.300 -0.014 0.000 1.164 21 M CB 1.302 33.846 32.600 -0.094 0.000 1.459 21 M HN 0.341 nan 8.290 nan 0.000 0.461 22 G N 0.250 109.087 108.800 0.061 0.000 3.110 22 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.205 22 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.205 22 G C 0.012 174.960 174.900 0.081 0.000 1.019 22 G CA -0.058 45.093 45.100 0.086 0.000 0.826 22 G HN 0.745 nan 8.290 nan 0.000 0.481 23 T N 0.747 115.357 114.554 0.093 0.000 2.928 23 T HA 0.648 4.998 4.350 -0.000 0.000 0.284 23 T C -2.891 171.851 174.700 0.070 0.000 1.008 23 T CA -1.773 60.380 62.100 0.088 0.000 1.057 23 T CB 2.111 71.049 68.868 0.117 0.000 1.018 23 T HN 0.017 nan 8.240 nan 0.000 0.493 24 P HA 0.237 nan 4.420 nan 0.000 0.260 24 P C 1.124 178.454 177.300 0.051 0.000 1.172 24 P CA 1.288 64.414 63.100 0.043 0.000 0.760 24 P CB -0.014 31.710 31.700 0.039 0.000 0.773 25 G N 2.493 111.305 108.800 0.021 0.000 2.175 25 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.244 25 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.244 25 G C 0.884 175.755 174.900 -0.049 0.000 0.982 25 G CA 0.412 45.520 45.100 0.013 0.000 0.641 25 G HN 0.606 nan 8.290 nan 0.000 0.527 26 S N -0.635 115.001 115.700 -0.106 0.000 2.535 26 S HA 0.365 4.835 4.470 -0.000 0.000 0.214 26 S C 0.610 174.954 174.600 -0.428 0.000 0.980 26 S CA 0.755 58.718 58.200 -0.395 0.000 0.907 26 S CB 0.521 63.622 63.200 -0.165 0.000 0.790 26 S HN 0.672 nan 8.310 nan 0.000 0.510 27 E N 1.960 122.021 120.200 -0.231 0.000 2.415 27 E HA 0.016 4.366 4.350 -0.000 0.000 0.263 27 E C -1.154 175.285 176.600 -0.268 0.000 0.995 27 E CA 0.086 56.373 56.400 -0.189 0.000 0.915 27 E CB 0.328 29.968 29.700 -0.099 0.000 0.951 27 E HN 0.211 nan 8.360 nan 0.000 0.449 28 D N 6.094 126.335 120.400 -0.265 0.000 2.408 28 D HA 0.197 4.837 4.640 -0.000 0.000 0.261 28 D C -2.027 173.992 176.300 -0.469 0.000 1.190 28 D CA -2.178 51.662 54.000 -0.266 0.000 0.910 28 D CB 1.346 42.056 40.800 -0.151 0.000 1.097 28 D HN 0.240 nan 8.370 nan 0.000 0.522 29 P HA 0.092 nan 4.420 nan 0.000 0.249 29 P C -0.084 176.891 177.300 -0.541 0.000 1.229 29 P CA 0.053 62.376 63.100 -1.295 0.000 0.788 29 P CB 0.357 31.578 31.700 -0.798 0.000 1.072 30 N N 0.543 119.107 118.700 -0.227 0.000 2.376 30 N HA 0.061 4.801 4.740 -0.000 0.000 0.249 30 N C 0.487 176.017 175.510 0.034 0.000 1.140 30 N CA 0.329 53.352 53.050 -0.044 0.000 0.870 30 N CB 0.268 38.758 38.487 0.006 0.000 1.124 30 N HN 0.276 nan 8.380 nan 0.000 0.505 31 T N -2.709 111.910 114.554 0.110 0.000 2.950 31 T HA 0.233 4.583 4.350 -0.000 0.000 0.288 31 T C 1.052 175.843 174.700 0.152 0.000 1.035 31 T CA -0.766 61.418 62.100 0.140 0.000 1.028 31 T CB 1.870 70.877 68.868 0.232 0.000 1.109 31 T HN -0.071 nan 8.240 nan 0.000 0.514 32 D N 0.019 120.457 120.400 0.064 0.000 2.123 32 D HA -0.164 4.476 4.640 -0.000 0.000 0.196 32 D C 1.487 177.829 176.300 0.070 0.000 0.992 32 D CA 1.223 55.212 54.000 -0.019 0.000 0.833 32 D CB -0.653 40.047 40.800 -0.167 0.000 0.954 32 D HN 0.730 nan 8.370 nan 0.000 0.455 33 W N -0.110 121.192 121.300 0.004 0.000 2.381 33 W HA -0.100 4.560 4.660 -0.000 0.000 0.301 33 W C 2.391 179.077 176.519 0.278 0.000 1.205 33 W CA 0.845 58.169 57.345 -0.034 0.000 1.285 33 W CB -0.585 28.525 29.460 -0.584 0.000 1.133 33 W HN -0.017 nan 8.180 nan 0.000 0.521 34 Y N 1.402 121.997 120.300 0.491 0.000 2.097 34 Y HA -0.316 4.234 4.550 -0.000 0.000 0.282 34 Y C 2.582 178.766 175.900 0.474 0.000 1.152 34 Y CA 2.541 61.000 58.100 0.598 0.000 1.136 34 Y CB -0.642 38.076 38.460 0.430 0.000 0.975 34 Y HN -0.162 nan 8.280 nan 0.000 0.498 35 K N -0.286 120.403 120.400 0.481 0.000 2.097 35 K HA -0.250 4.070 4.320 -0.000 0.000 0.206 35 K C 2.299 179.045 176.600 0.243 0.000 1.049 35 K CA 1.563 58.032 56.287 0.303 0.000 0.933 35 K CB -0.817 31.797 32.500 0.192 0.000 0.717 35 K HN 0.632 nan 8.250 nan 0.000 0.442 36 W N 1.878 123.194 121.300 0.027 0.000 2.335 36 W HA -0.225 4.435 4.660 -0.000 0.000 0.311 36 W C 1.641 178.166 176.519 0.010 0.000 1.213 36 W CA 2.172 59.469 57.345 -0.079 0.000 1.274 36 W CB -0.080 29.188 29.460 -0.319 0.000 1.148 36 W HN 0.069 nan 8.180 nan 0.000 0.498 37 V N -1.928 118.151 119.914 0.274 0.000 3.041 37 V HA -0.124 3.996 4.120 -0.000 0.000 0.260 37 V C 1.419 177.440 176.094 -0.121 0.000 1.105 37 V CA 1.829 64.211 62.300 0.137 0.000 1.125 37 V CB -1.115 30.945 31.823 0.395 0.000 0.730 37 V HN 0.089 nan 8.190 nan 0.000 0.479 38 H N 0.191 119.210 119.070 -0.085 0.000 2.548 38 H HA 0.287 4.843 4.556 -0.000 0.000 0.265 38 H C 0.547 175.814 175.328 -0.102 0.000 0.969 38 H CA 0.317 56.295 56.048 -0.116 0.000 1.155 38 H CB -0.051 29.624 29.762 -0.146 0.000 1.394 38 H HN 0.565 nan 8.280 nan 0.000 0.570 39 D N 0.868 121.230 120.400 -0.064 0.000 2.401 39 D HA -0.007 4.633 4.640 -0.000 0.000 0.254 39 D C -1.520 174.698 176.300 -0.136 0.000 1.192 39 D CA -1.588 52.339 54.000 -0.122 0.000 0.885 39 D CB 1.267 41.915 40.800 -0.254 0.000 1.147 39 D HN 0.025 nan 8.370 nan 0.000 0.478 40 P HA -0.152 nan 4.420 nan 0.000 0.215 40 P C 0.702 177.942 177.300 -0.100 0.000 1.153 40 P CA 1.156 64.211 63.100 -0.076 0.000 0.853 40 P CB 0.214 31.886 31.700 -0.047 0.000 0.788 41 E N -1.067 119.060 120.200 -0.121 0.000 2.072 41 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 41 E C 1.847 178.341 176.600 -0.176 0.000 0.985 41 E CA 0.761 57.084 56.400 -0.128 0.000 0.801 41 E CB -0.393 29.234 29.700 -0.122 0.000 0.750 41 E HN 0.190 nan 8.360 nan 0.000 0.452 42 N N 0.399 118.931 118.700 -0.279 0.000 2.166 42 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 42 N C 1.713 177.092 175.510 -0.218 0.000 1.019 42 N CA 1.152 53.985 53.050 -0.361 0.000 0.856 42 N CB -0.108 37.969 38.487 -0.683 0.000 0.993 42 N HN 0.191 nan 8.380 nan 0.000 0.426 43 M N 0.212 119.708 119.600 -0.173 0.000 2.099 43 M HA -0.060 4.420 4.480 -0.000 0.000 0.262 43 M C 2.155 178.408 176.300 -0.078 0.000 1.067 43 M CA 1.466 56.701 55.300 -0.109 0.000 1.124 43 M CB -0.212 32.333 32.600 -0.092 0.000 1.353 43 M HN 0.143 nan 8.290 nan 0.000 0.410 44 A N 0.117 122.891 122.820 -0.077 0.000 1.972 44 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 44 A C 2.230 179.786 177.584 -0.047 0.000 1.169 44 A CA 1.753 53.758 52.037 -0.053 0.000 0.635 44 A CB -0.804 18.166 19.000 -0.050 0.000 0.810 44 A HN 0.519 nan 8.150 nan 0.000 0.446 45 A N -1.689 121.094 122.820 -0.062 0.000 2.168 45 A HA 0.368 4.688 4.320 -0.000 0.000 0.215 45 A C 1.927 179.494 177.584 -0.028 0.000 1.152 45 A CA 1.324 53.333 52.037 -0.047 0.000 0.716 45 A CB -0.987 17.975 19.000 -0.064 0.000 0.794 45 A HN 1.892 nan 8.150 nan 0.000 0.465 46 G N -1.206 107.574 108.800 -0.032 0.000 2.160 46 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.251 46 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.251 46 G C 0.709 175.618 174.900 0.015 0.000 1.008 46 G CA 0.578 45.674 45.100 -0.007 0.000 0.724 46 G HN 0.450 nan 8.290 nan 0.000 0.514 47 L N -0.648 120.570 121.223 -0.009 0.000 2.217 47 L HA 0.218 4.558 4.340 -0.000 0.000 0.211 47 L C 1.657 178.582 176.870 0.092 0.000 1.107 47 L CA 1.411 56.278 54.840 0.045 0.000 0.783 47 L CB -0.130 41.927 42.059 -0.004 0.000 0.919 47 L HN 0.488 nan 8.230 nan 0.000 0.442 48 V N -5.296 114.625 119.914 0.012 0.000 2.960 48 V HA 0.394 4.514 4.120 -0.000 0.000 0.315 48 V C 0.988 177.099 176.094 0.028 0.000 1.087 48 V CA -0.211 62.128 62.300 0.065 0.000 0.982 48 V CB 1.594 33.427 31.823 0.017 0.000 1.039 48 V HN 0.097 nan 8.190 nan 0.000 0.437 49 S N 0.445 116.167 115.700 0.036 0.000 2.461 49 S HA 0.273 4.743 4.470 -0.000 0.000 0.228 49 S C 1.669 176.263 174.600 -0.010 0.000 1.005 49 S CA 1.320 59.521 58.200 0.003 0.000 0.942 49 S CB -0.056 63.125 63.200 -0.032 0.000 0.776 49 S HN 2.755 nan 8.310 nan 0.000 0.514 50 G N 0.788 109.577 108.800 -0.018 0.000 2.234 50 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.235 50 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.235 50 G C -0.386 174.499 174.900 -0.025 0.000 0.997 50 G CA 0.053 45.132 45.100 -0.036 0.000 0.623 50 G HN 0.560 nan 8.290 nan 0.000 0.514 51 D N 0.574 120.980 120.400 0.009 0.000 2.362 51 D HA 0.580 5.220 4.640 -0.000 0.000 0.242 51 D C 0.755 177.076 176.300 0.035 0.000 1.132 51 D CA 0.335 54.372 54.000 0.061 0.000 0.907 51 D CB 1.003 41.825 40.800 0.037 0.000 1.195 51 D HN 0.371 nan 8.370 nan 0.000 0.429 52 L N 2.212 123.410 121.223 -0.042 0.000 2.386 52 L HA 0.284 4.624 4.340 -0.000 0.000 0.271 52 L C -1.585 175.000 176.870 -0.475 0.000 0.993 52 L CA -1.780 52.870 54.840 -0.318 0.000 0.819 52 L CB 2.651 44.545 42.059 -0.275 0.000 1.294 52 L HN 0.152 nan 8.230 nan 0.000 0.414 53 P HA -0.174 nan 4.420 nan 0.000 0.222 53 P C 0.839 177.948 177.300 -0.317 0.000 1.147 53 P CA 1.073 63.552 63.100 -1.035 0.000 0.790 53 P CB 0.145 31.024 31.700 -1.368 0.000 0.780 54 E N -0.229 119.904 120.200 -0.112 0.000 2.478 54 E HA -0.103 4.247 4.350 -0.000 0.000 0.198 54 E C 0.493 177.114 176.600 0.035 0.000 1.046 54 E CA 0.627 57.037 56.400 0.017 0.000 0.870 54 E CB -0.929 28.845 29.700 0.124 0.000 0.818 54 E HN 0.265 nan 8.360 nan 0.000 0.527 55 N N 1.493 120.229 118.700 0.059 0.000 2.327 55 N HA 0.118 4.858 4.740 -0.000 0.000 0.231 55 N C 0.463 175.923 175.510 -0.084 0.000 1.130 55 N CA 0.440 53.502 53.050 0.019 0.000 0.845 55 N CB 0.803 39.293 38.487 0.005 0.000 1.073 55 N HN 0.223 nan 8.380 nan 0.000 0.496 56 G N 1.463 110.323 108.800 0.101 0.000 2.510 56 G HA2 0.174 4.134 3.960 -0.000 0.000 0.280 56 G HA3 0.174 4.134 3.960 -0.000 0.000 0.280 56 G C -1.452 173.652 174.900 0.340 0.000 1.386 56 G CA -0.670 44.569 45.100 0.231 0.000 1.047 56 G HN -0.041 nan 8.290 nan 0.000 0.527 57 P HA 0.071 nan 4.420 nan 0.000 0.241 57 P C 0.969 178.461 177.300 0.322 0.000 1.191 57 P CA 1.144 64.457 63.100 0.355 0.000 0.771 57 P CB 0.294 32.243 31.700 0.415 0.000 0.929 58 G N 0.354 109.311 108.800 0.262 0.000 2.298 58 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.287 58 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.287 58 G C 0.364 175.374 174.900 0.183 0.000 1.075 58 G CA 0.187 45.414 45.100 0.212 0.000 0.960 58 G HN 0.281 nan 8.290 nan 0.000 0.502 59 Y N -0.939 119.315 120.300 -0.076 0.000 2.274 59 Y HA -0.050 4.500 4.550 -0.000 0.000 0.290 59 Y C 2.357 178.262 175.900 0.008 0.000 1.145 59 Y CA 2.058 59.912 58.100 -0.409 0.000 1.203 59 Y CB -0.151 37.970 38.460 -0.564 0.000 0.984 59 Y HN 0.559 nan 8.280 nan 0.000 0.533 60 W N 0.696 121.947 121.300 -0.082 0.000 2.318 60 W HA -0.244 4.416 4.660 -0.000 0.000 0.313 60 W C 2.086 178.667 176.519 0.104 0.000 1.221 60 W CA 2.060 59.361 57.345 -0.073 0.000 1.266 60 W CB -0.723 28.661 29.460 -0.128 0.000 1.150 60 W HN 0.270 nan 8.180 nan 0.000 0.496 61 G N -0.958 107.968 108.800 0.211 0.000 2.539 61 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.215 61 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.215 61 G C 0.989 175.855 174.900 -0.057 0.000 1.141 61 G CA 0.372 45.534 45.100 0.103 0.000 0.806 61 G HN 0.109 nan 8.290 nan 0.000 0.533 62 N N 0.083 118.744 118.700 -0.065 0.000 2.214 62 N HA 0.093 4.833 4.740 -0.000 0.000 0.214 62 N C 1.439 176.828 175.510 -0.202 0.000 1.132 62 N CA -0.353 52.638 53.050 -0.099 0.000 0.856 62 N CB 0.060 38.624 38.487 0.129 0.000 1.020 62 N HN 0.577 nan 8.380 nan 0.000 0.509 63 Y N 0.799 120.793 120.300 -0.510 0.000 2.228 63 Y HA -0.155 4.395 4.550 -0.000 0.000 0.285 63 Y C 1.767 177.352 175.900 -0.525 0.000 1.178 63 Y CA 1.188 58.792 58.100 -0.826 0.000 1.202 63 Y CB -0.507 37.167 38.460 -1.310 0.000 0.974 63 Y HN -0.121 nan 8.280 nan 0.000 0.527 64 K N 0.101 120.047 120.400 -0.757 0.000 2.057 64 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 64 K C 2.095 178.638 176.600 -0.095 0.000 1.050 64 K CA 1.844 57.911 56.287 -0.367 0.000 0.935 64 K CB -0.413 31.825 32.500 -0.436 0.000 0.715 64 K HN 0.389 nan 8.250 nan 0.000 0.439 65 T N 1.141 115.652 114.554 -0.072 0.000 2.720 65 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 65 T C 1.579 176.343 174.700 0.107 0.000 1.037 65 T CA 1.330 63.444 62.100 0.024 0.000 1.144 65 T CB -0.298 68.581 68.868 0.018 0.000 0.864 65 T HN 0.051 nan 8.240 nan 0.000 0.444 66 F N 1.267 121.179 119.950 -0.063 0.000 2.069 66 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 66 F C 2.421 178.234 175.800 0.020 0.000 1.113 66 F CA 1.183 59.165 58.000 -0.031 0.000 1.214 66 F CB -0.929 38.150 39.000 0.132 0.000 0.978 66 F HN 0.405 nan 8.300 nan 0.000 0.474 67 H N -1.887 117.372 119.070 0.315 0.000 2.387 67 H HA -0.174 4.382 4.556 -0.000 0.000 0.299 67 H C 1.807 177.208 175.328 0.122 0.000 1.090 67 H CA 0.940 57.131 56.048 0.238 0.000 1.332 67 H CB -0.139 29.792 29.762 0.282 0.000 1.386 67 H HN 0.172 nan 8.280 nan 0.000 0.516 68 D N 0.401 120.921 120.400 0.200 0.000 2.123 68 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 68 D C 1.891 178.266 176.300 0.124 0.000 0.992 68 D CA 1.076 55.151 54.000 0.125 0.000 0.833 68 D CB -0.108 40.734 40.800 0.071 0.000 0.954 68 D HN 0.233 nan 8.370 nan 0.000 0.455 69 N N -0.226 118.534 118.700 0.100 0.000 2.216 69 N HA -0.054 4.686 4.740 -0.000 0.000 0.183 69 N C 1.707 177.230 175.510 0.022 0.000 1.017 69 N CA 1.081 54.212 53.050 0.135 0.000 0.861 69 N CB -0.253 38.239 38.487 0.008 0.000 0.986 69 N HN 0.234 nan 8.380 nan 0.000 0.428 70 A N 1.250 124.016 122.820 -0.089 0.000 1.933 70 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 70 A C 2.195 179.809 177.584 0.049 0.000 1.175 70 A CA 1.422 53.377 52.037 -0.136 0.000 0.628 70 A CB -0.622 18.212 19.000 -0.276 0.000 0.814 70 A HN 0.375 nan 8.150 nan 0.000 0.444 71 Q N -0.198 119.668 119.800 0.110 0.000 2.046 71 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 71 Q C 1.942 178.014 176.000 0.119 0.000 0.975 71 Q CA 1.751 57.624 55.803 0.117 0.000 0.836 71 Q CB -0.162 28.645 28.738 0.115 0.000 0.896 71 Q HN 0.635 nan 8.270 nan 0.000 0.428 72 K N -0.003 120.492 120.400 0.159 0.000 2.152 72 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 72 K C 1.845 178.622 176.600 0.295 0.000 1.048 72 K CA 1.407 57.818 56.287 0.207 0.000 0.933 72 K CB -0.103 32.552 32.500 0.260 0.000 0.721 72 K HN 0.337 nan 8.250 nan 0.000 0.447 73 M N -0.455 119.305 119.600 0.267 0.000 2.618 73 M HA 0.021 4.500 4.480 -0.000 0.000 0.240 73 M C 0.407 176.720 176.300 0.022 0.000 1.123 73 M CA 0.674 56.072 55.300 0.163 0.000 1.060 73 M CB 0.486 33.009 32.600 -0.128 0.000 1.535 73 M HN 0.369 nan 8.290 nan 0.000 0.507 74 G N 1.438 110.268 108.800 0.050 0.000 2.143 74 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.248 74 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.248 74 G C -0.024 174.888 174.900 0.020 0.000 0.991 74 G CA 0.051 45.165 45.100 0.024 0.000 0.689 74 G HN 0.462 nan 8.290 nan 0.000 0.522 75 L N -0.582 120.665 121.223 0.039 0.000 2.439 75 L HA 0.422 4.762 4.340 -0.000 0.000 0.269 75 L C 1.378 178.343 176.870 0.159 0.000 1.179 75 L CA 0.046 54.954 54.840 0.113 0.000 0.828 75 L CB 0.990 43.184 42.059 0.225 0.000 1.106 75 L HN 0.002 nan 8.230 nan 0.000 0.467 76 K N 2.550 123.048 120.400 0.163 0.000 2.517 76 K HA 0.441 4.761 4.320 -0.000 0.000 0.210 76 K C -0.302 176.361 176.600 0.105 0.000 1.166 76 K CA -0.192 56.167 56.287 0.121 0.000 1.030 76 K CB 0.753 33.304 32.500 0.086 0.000 0.974 76 K HN 0.580 nan 8.250 nan 0.000 0.585 77 I N -0.577 120.061 120.570 0.113 0.000 2.913 77 I HA 0.715 4.885 4.170 -0.000 0.000 0.302 77 I C -2.133 173.937 176.117 -0.078 0.000 1.246 77 I CA -1.042 60.282 61.300 0.040 0.000 1.010 77 I CB 2.104 40.086 38.000 -0.030 0.000 1.259 77 I HN 0.124 nan 8.210 nan 0.000 0.434 78 A N 6.141 128.820 122.820 -0.235 0.000 2.520 78 A HA 0.766 5.086 4.320 -0.000 0.000 0.298 78 A C -1.580 175.792 177.584 -0.353 0.000 1.051 78 A CA -0.680 50.986 52.037 -0.618 0.000 0.690 78 A CB 1.919 20.324 19.000 -0.992 0.000 1.281 78 A HN 0.678 nan 8.150 nan 0.000 0.402 79 R N 2.347 122.611 120.500 -0.393 0.000 2.480 79 R HA 0.749 5.089 4.340 -0.000 0.000 0.306 79 R C -2.331 173.907 176.300 -0.104 0.000 0.958 79 R CA -0.405 55.587 56.100 -0.179 0.000 0.861 79 R CB 0.988 31.218 30.300 -0.116 0.000 1.171 79 R HN 0.625 nan 8.270 nan 0.000 0.445 80 L N 3.232 124.483 121.223 0.045 0.000 2.409 80 L HA 0.504 4.844 4.340 -0.000 0.000 0.255 80 L C -0.787 176.202 176.870 0.197 0.000 1.027 80 L CA -0.694 54.235 54.840 0.149 0.000 0.834 80 L CB 2.286 44.495 42.059 0.250 0.000 1.426 80 L HN 0.811 nan 8.230 nan 0.000 0.411 81 N N 0.160 119.029 118.700 0.282 0.000 2.328 81 N HA 0.587 5.327 4.740 -0.000 0.000 0.299 81 N C -0.966 174.758 175.510 0.358 0.000 1.179 81 N CA -0.577 52.653 53.050 0.300 0.000 0.793 81 N CB 2.066 40.764 38.487 0.352 0.000 1.366 81 N HN 0.340 nan 8.380 nan 0.000 0.493 82 V N -1.702 118.360 119.914 0.247 0.000 2.607 82 V HA 0.406 4.526 4.120 -0.000 0.000 0.289 82 V C 0.249 176.609 176.094 0.444 0.000 1.053 82 V CA -0.683 61.655 62.300 0.063 0.000 0.996 82 V CB 0.901 32.620 31.823 -0.174 0.000 0.995 82 V HN 0.575 nan 8.190 nan 0.000 0.476 83 E N 4.004 124.537 120.200 0.554 0.000 2.105 83 E HA 0.040 4.389 4.350 -0.000 0.000 0.285 83 E C 0.330 177.280 176.600 0.584 0.000 1.055 83 E CA -0.292 56.449 56.400 0.570 0.000 0.843 83 E CB 0.905 30.904 29.700 0.498 0.000 1.067 83 E HN 1.010 nan 8.360 nan 0.000 0.398 84 W N 4.370 125.828 121.300 0.263 0.000 2.277 84 W HA -0.351 4.309 4.660 -0.000 0.000 0.327 84 W C 2.006 178.555 176.519 0.050 0.000 1.284 84 W CA 2.614 59.811 57.345 -0.247 0.000 1.277 84 W CB -0.831 28.373 29.460 -0.427 0.000 1.141 84 W HN 0.530 nan 8.180 nan 0.000 0.482 85 S N 0.281 116.169 115.700 0.314 0.000 2.400 85 S HA -0.221 4.249 4.470 -0.000 0.000 0.232 85 S C 1.882 176.629 174.600 0.246 0.000 1.025 85 S CA 1.573 59.896 58.200 0.205 0.000 0.993 85 S CB -0.674 62.613 63.200 0.145 0.000 0.808 85 S HN 0.471 nan 8.310 nan 0.000 0.478 86 R N 0.295 120.970 120.500 0.292 0.000 2.119 86 R HA 0.190 4.530 4.340 -0.000 0.000 0.222 86 R C 1.950 178.411 176.300 0.268 0.000 1.088 86 R CA 1.081 57.326 56.100 0.241 0.000 0.984 86 R CB -0.310 30.152 30.300 0.270 0.000 0.884 86 R HN 0.409 nan 8.270 nan 0.000 0.447 87 I N -0.126 120.637 120.570 0.321 0.000 2.339 87 I HA -0.061 4.109 4.170 -0.000 0.000 0.245 87 I C 0.585 176.564 176.117 -0.230 0.000 1.096 87 I CA 1.147 62.504 61.300 0.095 0.000 1.408 87 I CB -0.415 37.716 38.000 0.218 0.000 1.092 87 I HN -0.051 nan 8.210 nan 0.000 0.423 88 F N 2.786 123.006 119.950 0.450 0.000 2.389 88 F HA 0.364 4.891 4.527 -0.000 0.000 0.327 88 F C -1.522 174.506 175.800 0.380 0.000 1.204 88 F CA -2.267 55.971 58.000 0.396 0.000 1.209 88 F CB 0.047 39.360 39.000 0.521 0.000 1.460 88 F HN -0.052 nan 8.300 nan 0.000 0.537 89 P HA -0.078 nan 4.420 nan 0.000 0.226 89 P C -0.171 177.256 177.300 0.212 0.000 1.153 89 P CA 0.987 64.249 63.100 0.270 0.000 0.777 89 P CB 0.506 32.294 31.700 0.146 0.000 0.794 90 N N -0.164 118.556 118.700 0.033 0.000 2.362 90 N HA 0.351 5.091 4.740 -0.000 0.000 0.299 90 N C -2.769 172.171 175.510 -0.951 0.000 1.170 90 N CA -1.957 50.934 53.050 -0.266 0.000 0.825 90 N CB 1.435 39.859 38.487 -0.106 0.000 1.299 90 N HN -0.113 nan 8.380 nan 0.000 0.502 91 P HA 0.205 nan 4.420 nan 0.000 0.272 91 P C -0.334 176.262 177.300 -1.172 0.000 1.223 91 P CA -0.036 61.989 63.100 -1.791 0.000 0.784 91 P CB 0.771 32.007 31.700 -0.774 0.000 0.923 92 L N 3.152 123.633 121.223 -1.237 0.000 2.375 92 L HA 0.462 4.802 4.340 -0.000 0.000 0.268 92 L C -1.815 174.753 176.870 -0.504 0.000 1.058 92 L CA -2.225 52.149 54.840 -0.778 0.000 0.803 92 L CB 0.045 41.763 42.059 -0.568 0.000 1.212 92 L HN 0.262 nan 8.230 nan 0.000 0.451 93 P HA 0.088 nan 4.420 nan 0.000 0.265 93 P C -0.349 176.863 177.300 -0.147 0.000 1.193 93 P CA -0.177 62.775 63.100 -0.246 0.000 0.765 93 P CB 0.258 31.840 31.700 -0.197 0.000 0.823 94 R N 3.775 124.223 120.500 -0.087 0.000 2.538 94 R HA 0.231 4.571 4.340 -0.000 0.000 0.282 94 R C -1.952 174.314 176.300 -0.057 0.000 1.009 94 R CA -0.624 55.449 56.100 -0.045 0.000 1.063 94 R CB -2.038 28.257 30.300 -0.007 0.000 0.945 94 R HN 0.499 nan 8.270 nan 0.000 0.414 99 D N 5.018 124.991 120.400 -0.713 0.000 2.454 99 D HA 0.349 4.989 4.640 -0.000 0.000 0.225 99 D C 0.942 176.744 176.300 -0.831 0.000 1.081 99 D CA 0.782 54.426 54.000 -0.593 0.000 0.864 99 D CB 1.654 42.286 40.800 -0.280 0.000 1.040 99 D HN 0.853 nan 8.370 nan 0.000 0.517 100 E N 1.803 121.519 120.200 -0.806 0.000 2.401 100 E HA -0.151 4.199 4.350 -0.000 0.000 0.199 100 E C 1.587 178.038 176.600 -0.248 0.000 1.023 100 E CA 1.416 57.489 56.400 -0.546 0.000 0.859 100 E CB -0.532 nan 29.700 nan 0.000 0.780 100 E HN 0.518 nan 8.360 nan 0.000 0.523 101 S N -0.804 114.764 115.700 -0.219 0.000 2.501 101 S HA 0.059 4.529 4.470 -0.000 0.000 0.220 101 S C 1.093 175.635 174.600 -0.096 0.000 0.997 101 S CA 0.228 58.353 58.200 -0.124 0.000 0.919 101 S CB 0.032 63.168 63.200 -0.106 0.000 0.778 101 S HN 0.217 nan 8.310 nan 0.000 0.523 102 K N 2.239 122.570 120.400 -0.115 0.000 2.416 102 K HA 0.229 4.549 4.320 -0.000 0.000 0.283 102 K C 1.121 177.722 176.600 0.002 0.000 1.037 102 K CA -0.175 56.080 56.287 -0.053 0.000 0.995 102 K CB 0.680 33.153 32.500 -0.047 0.000 0.938 102 K HN 0.491 nan 8.250 nan 0.000 0.475 103 Q N 0.730 120.541 119.800 0.018 0.000 2.050 103 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 103 Q C -0.180 175.930 176.000 0.184 0.000 0.980 103 Q CA 1.518 57.355 55.803 0.058 0.000 0.840 103 Q CB 0.199 28.932 28.738 -0.010 0.000 0.898 103 Q HN 0.627 nan 8.270 nan 0.000 0.424 104 D N -0.499 120.001 120.400 0.166 0.000 2.175 104 D HA 0.223 4.863 4.640 -0.000 0.000 0.248 104 D C -1.021 175.374 176.300 0.158 0.000 1.047 104 D CA -0.228 53.891 54.000 0.198 0.000 0.883 104 D CB 1.955 42.850 40.800 0.158 0.000 1.180 104 D HN -0.201 nan 8.370 nan 0.000 0.438 105 V N 2.293 122.300 119.914 0.155 0.000 2.284 105 V HA 0.159 4.279 4.120 -0.000 0.000 0.274 105 V C 1.309 177.459 176.094 0.094 0.000 1.023 105 V CA -0.409 61.990 62.300 0.164 0.000 0.808 105 V CB 0.826 32.776 31.823 0.211 0.000 1.035 105 V HN 0.756 nan 8.190 nan 0.000 0.445 106 T N 0.256 114.859 114.554 0.081 0.000 3.051 106 T HA 0.207 4.557 4.350 -0.000 0.000 0.255 106 T C 0.434 175.153 174.700 0.032 0.000 1.085 106 T CA 0.306 62.429 62.100 0.039 0.000 1.109 106 T CB 0.643 69.532 68.868 0.035 0.000 0.921 106 T HN 0.586 nan 8.240 nan 0.000 0.488 107 E N -0.143 120.091 120.200 0.058 0.000 2.372 107 E HA 0.550 4.900 4.350 -0.000 0.000 0.279 107 E C -2.206 174.433 176.600 0.064 0.000 0.946 107 E CA -0.873 55.552 56.400 0.041 0.000 0.769 107 E CB 2.654 32.376 29.700 0.036 0.000 1.230 107 E HN 0.013 nan 8.360 nan 0.000 0.442 108 V N 3.426 123.344 119.914 0.006 0.000 2.462 108 V HA 0.237 4.357 4.120 -0.000 0.000 0.288 108 V C -0.442 175.609 176.094 -0.072 0.000 1.020 108 V CA -0.737 61.542 62.300 -0.035 0.000 0.857 108 V CB 1.522 33.232 31.823 -0.189 0.000 1.013 108 V HN 0.673 nan 8.190 nan 0.000 0.431 109 E N 4.773 124.962 120.200 -0.019 0.000 2.290 109 E HA 0.510 4.860 4.350 -0.000 0.000 0.277 109 E C -1.196 175.354 176.600 -0.083 0.000 1.035 109 E CA -0.116 56.262 56.400 -0.038 0.000 0.873 109 E CB 0.896 30.596 29.700 -0.000 0.000 1.029 109 E HN 0.593 nan 8.360 nan 0.000 0.419 110 I N 4.254 124.757 120.570 -0.111 0.000 2.569 110 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 110 I C -0.582 175.453 176.117 -0.136 0.000 1.088 110 I CA -0.887 60.327 61.300 -0.143 0.000 1.047 110 I CB 1.881 39.767 38.000 -0.191 0.000 1.237 110 I HN 0.495 nan 8.210 nan 0.000 0.421 111 N N 2.545 121.159 118.700 -0.143 0.000 2.629 111 N HA 0.349 5.089 4.740 -0.000 0.000 0.279 111 N C 0.339 175.725 175.510 -0.206 0.000 1.344 111 N CA -0.869 52.097 53.050 -0.139 0.000 0.789 111 N CB 0.815 39.251 38.487 -0.085 0.000 1.508 111 N HN 0.440 nan 8.380 nan 0.000 0.516 112 E N -0.266 119.826 120.200 -0.180 0.000 2.097 112 E HA -0.196 4.153 4.350 -0.000 0.000 0.196 112 E C 0.859 177.340 176.600 -0.198 0.000 1.000 112 E CA 1.769 58.038 56.400 -0.217 0.000 0.804 112 E CB -0.194 29.466 29.700 -0.067 0.000 0.740 112 E HN 0.545 nan 8.360 nan 0.000 0.454 113 N N 0.257 118.892 118.700 -0.108 0.000 2.106 113 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 113 N C 1.631 177.095 175.510 -0.078 0.000 1.029 113 N CA 1.274 54.287 53.050 -0.063 0.000 0.848 113 N CB -0.265 38.205 38.487 -0.027 0.000 1.007 113 N HN 0.297 nan 8.380 nan 0.000 0.423 114 E N 0.598 120.738 120.200 -0.100 0.000 2.110 114 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 114 E C 2.016 178.534 176.600 -0.137 0.000 0.988 114 E CA 0.618 56.964 56.400 -0.090 0.000 0.804 114 E CB -0.102 29.544 29.700 -0.090 0.000 0.745 114 E HN 0.284 nan 8.360 nan 0.000 0.458 115 L N 0.554 121.601 121.223 -0.294 0.000 2.093 115 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 115 L C 2.288 178.977 176.870 -0.302 0.000 1.085 115 L CA 1.174 55.732 54.840 -0.469 0.000 0.755 115 L CB -0.217 41.082 42.059 -1.267 0.000 0.904 115 L HN 0.000 nan 8.230 nan 0.000 0.435 116 K N -0.572 119.702 120.400 -0.208 0.000 2.097 116 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 116 K C 2.322 178.994 176.600 0.120 0.000 1.050 116 K CA 0.856 57.193 56.287 0.083 0.000 0.938 116 K CB 0.047 32.605 32.500 0.098 0.000 0.718 116 K HN 0.147 nan 8.250 nan 0.000 0.442 117 R N 0.792 121.335 120.500 0.071 0.000 2.073 117 R HA -0.080 4.260 4.340 -0.000 0.000 0.234 117 R C 2.327 178.758 176.300 0.217 0.000 1.134 117 R CA 1.131 57.304 56.100 0.122 0.000 0.952 117 R CB -0.971 29.397 30.300 0.115 0.000 0.850 117 R HN 0.241 nan 8.270 nan 0.000 0.433 118 L N 0.962 122.281 121.223 0.160 0.000 2.043 118 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 118 L C 2.138 179.153 176.870 0.243 0.000 1.075 118 L CA 1.738 56.667 54.840 0.148 0.000 0.752 118 L CB -0.576 41.445 42.059 -0.064 0.000 0.891 118 L HN 0.163 nan 8.230 nan 0.000 0.432 119 D N -0.047 120.536 120.400 0.304 0.000 2.221 119 D HA -0.209 4.431 4.640 -0.000 0.000 0.204 119 D C 1.960 178.408 176.300 0.247 0.000 0.982 119 D CA 1.076 55.338 54.000 0.438 0.000 0.857 119 D CB 0.140 41.320 40.800 0.632 0.000 0.934 119 D HN 0.367 nan 8.370 nan 0.000 0.475 120 E N -1.388 118.879 120.200 0.113 0.000 2.204 120 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 120 E C 1.188 177.657 176.600 -0.218 0.000 0.989 120 E CA 0.669 56.997 56.400 -0.121 0.000 0.824 120 E CB -0.057 29.439 29.700 -0.339 0.000 0.756 120 E HN 0.532 nan 8.360 nan 0.000 0.477 121 Y N 0.234 120.636 120.300 0.172 0.000 2.510 121 Y HA 0.265 4.815 4.550 -0.000 0.000 0.273 121 Y C 0.984 177.044 175.900 0.267 0.000 1.119 121 Y CA -0.177 58.048 58.100 0.207 0.000 1.286 121 Y CB 0.276 38.852 38.460 0.193 0.000 1.061 121 Y HN -0.102 nan 8.280 nan 0.000 0.542 122 A N 1.097 124.109 122.820 0.320 0.000 2.425 122 A HA 0.096 4.416 4.320 -0.000 0.000 0.249 122 A C 0.274 177.881 177.584 0.038 0.000 1.084 122 A CA -0.476 51.525 52.037 -0.059 0.000 0.781 122 A CB 0.008 18.945 19.000 -0.104 0.000 1.019 122 A HN 0.320 nan 8.150 nan 0.000 0.490 123 N N 1.318 120.021 118.700 0.006 0.000 2.420 123 N HA 0.033 4.773 4.740 -0.000 0.000 0.262 123 N C 0.457 176.042 175.510 0.125 0.000 1.144 123 N CA -0.260 52.841 53.050 0.086 0.000 0.952 123 N CB 0.743 39.291 38.487 0.103 0.000 1.081 123 N HN 0.481 nan 8.380 nan 0.000 0.480 124 K N 2.690 123.158 120.400 0.113 0.000 2.167 124 K HA -0.025 4.295 4.320 -0.000 0.000 0.203 124 K C 0.786 177.462 176.600 0.125 0.000 1.052 124 K CA 0.771 57.127 56.287 0.115 0.000 0.956 124 K CB 0.067 32.617 32.500 0.083 0.000 0.735 124 K HN 0.550 nan 8.250 nan 0.000 0.451 125 D N 1.259 121.733 120.400 0.124 0.000 2.117 125 D HA -0.101 4.539 4.640 -0.000 0.000 0.197 125 D C 1.799 178.223 176.300 0.207 0.000 0.987 125 D CA 1.361 55.444 54.000 0.137 0.000 0.829 125 D CB -0.021 40.851 40.800 0.120 0.000 0.961 125 D HN 0.136 nan 8.370 nan 0.000 0.460 126 A N 0.639 123.611 122.820 0.254 0.000 1.873 126 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 126 A C 2.411 180.261 177.584 0.444 0.000 1.186 126 A CA 0.844 53.115 52.037 0.390 0.000 0.616 126 A CB -0.804 18.423 19.000 0.380 0.000 0.823 126 A HN 0.186 nan 8.150 nan 0.000 0.442 127 L N -0.515 120.935 121.223 0.379 0.000 2.017 127 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 127 L C 2.540 179.591 176.870 0.301 0.000 1.073 127 L CA 1.905 56.993 54.840 0.413 0.000 0.745 127 L CB -0.525 41.690 42.059 0.260 0.000 0.894 127 L HN 0.652 nan 8.230 nan 0.000 0.432 128 N N -0.996 117.801 118.700 0.162 0.000 2.188 128 N HA -0.257 4.483 4.740 -0.000 0.000 0.184 128 N C 1.954 177.452 175.510 -0.021 0.000 1.018 128 N CA 1.130 54.217 53.050 0.062 0.000 0.858 128 N CB -0.025 38.485 38.487 0.038 0.000 0.989 128 N HN 0.282 nan 8.380 nan 0.000 0.426 129 H N -1.271 117.712 119.070 -0.145 0.000 2.321 129 H HA -0.111 4.445 4.556 -0.000 0.000 0.300 129 H C 1.282 176.212 175.328 -0.663 0.000 1.087 129 H CA 2.113 57.876 56.048 -0.475 0.000 1.319 129 H CB -0.233 29.107 29.762 -0.702 0.000 1.379 129 H HN 0.293 nan 8.280 nan 0.000 0.501 130 Y N 0.427 120.508 120.300 -0.365 0.000 2.207 130 Y HA -0.206 4.344 4.550 -0.000 0.000 0.287 130 Y C 2.889 178.275 175.900 -0.856 0.000 1.156 130 Y CA 1.728 59.378 58.100 -0.750 0.000 1.182 130 Y CB -0.388 37.761 38.460 -0.519 0.000 0.979 130 Y HN 0.183 nan 8.280 nan 0.000 0.521 131 R N 0.606 121.097 120.500 -0.015 0.000 2.081 131 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 131 R C 1.937 178.146 176.300 -0.152 0.000 1.131 131 R CA 1.977 58.133 56.100 0.092 0.000 0.960 131 R CB -0.201 30.184 30.300 0.140 0.000 0.856 131 R HN 0.394 nan 8.270 nan 0.000 0.436 132 E N 0.140 120.148 120.200 -0.320 0.000 2.106 132 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 132 E C 2.016 178.320 176.600 -0.494 0.000 0.984 132 E CA 1.427 57.613 56.400 -0.358 0.000 0.806 132 E CB -0.065 29.377 29.700 -0.430 0.000 0.750 132 E HN 0.430 nan 8.360 nan 0.000 0.458 133 I N 0.468 120.504 120.570 -0.891 0.000 2.142 133 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 133 I C 1.961 177.976 176.117 -0.170 0.000 1.078 133 I CA 0.982 61.736 61.300 -0.910 0.000 1.343 133 I CB -0.265 37.112 38.000 -1.038 0.000 1.046 133 I HN 0.061 nan 8.210 nan 0.000 0.405 134 F N 1.339 121.142 119.950 -0.245 0.000 2.216 134 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 134 F C 2.438 178.109 175.800 -0.214 0.000 1.085 134 F CA 0.948 58.755 58.000 -0.320 0.000 1.326 134 F CB -1.185 37.653 39.000 -0.270 0.000 1.027 134 F HN -0.001 nan 8.300 nan 0.000 0.497 135 K N 0.116 120.550 120.400 0.057 0.000 2.057 135 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 135 K C 1.764 178.381 176.600 0.028 0.000 1.050 135 K CA 1.756 58.063 56.287 0.034 0.000 0.935 135 K CB -0.428 32.083 32.500 0.019 0.000 0.715 135 K HN 0.194 nan 8.250 nan 0.000 0.439 136 D N 0.658 121.100 120.400 0.069 0.000 2.144 136 D HA -0.165 4.475 4.640 -0.000 0.000 0.199 136 D C 1.860 178.199 176.300 0.064 0.000 0.984 136 D CA 0.564 54.655 54.000 0.151 0.000 0.834 136 D CB 0.121 41.142 40.800 0.369 0.000 0.955 136 D HN -0.010 nan 8.370 nan 0.000 0.465 137 L N 0.709 121.878 121.223 -0.090 0.000 1.976 137 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 137 L C 1.880 178.629 176.870 -0.202 0.000 1.071 137 L CA 1.738 56.330 54.840 -0.414 0.000 0.746 137 L CB -0.521 41.233 42.059 -0.507 0.000 0.890 137 L HN -0.137 nan 8.230 nan 0.000 0.432 138 K N 0.040 120.353 120.400 -0.145 0.000 2.152 138 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 138 K C 2.319 178.909 176.600 -0.018 0.000 1.048 138 K CA 1.423 57.669 56.287 -0.068 0.000 0.933 138 K CB -0.964 31.511 32.500 -0.041 0.000 0.721 138 K HN 0.663 nan 8.250 nan 0.000 0.447 139 S N 0.816 116.514 115.700 -0.003 0.000 2.474 139 S HA -0.056 4.414 4.470 -0.000 0.000 0.235 139 S C 1.359 175.978 174.600 0.032 0.000 0.997 139 S CA 0.330 58.542 58.200 0.021 0.000 0.949 139 S CB 0.018 63.237 63.200 0.032 0.000 0.766 139 S HN 0.123 nan 8.310 nan 0.000 0.517 140 R N 1.100 121.618 120.500 0.030 0.000 2.391 140 R HA 0.293 4.633 4.340 -0.000 0.000 0.249 140 R C 1.474 177.808 176.300 0.056 0.000 0.957 140 R CA 0.403 56.536 56.100 0.055 0.000 1.093 140 R CB -1.265 29.085 30.300 0.082 0.000 1.156 140 R HN 0.599 nan 8.270 nan 0.000 0.526 141 G N 1.469 110.295 108.800 0.042 0.000 2.179 141 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.257 141 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.257 141 G C -0.045 174.897 174.900 0.070 0.000 1.010 141 G CA 0.051 45.183 45.100 0.054 0.000 0.736 141 G HN 0.291 nan 8.290 nan 0.000 0.513 142 L N -0.036 121.217 121.223 0.050 0.000 2.281 142 L HA 0.464 4.804 4.340 -0.000 0.000 0.285 142 L C 0.859 177.774 176.870 0.075 0.000 1.074 142 L CA -1.302 53.576 54.840 0.064 0.000 0.817 142 L CB 0.678 42.754 42.059 0.028 0.000 1.168 142 L HN 0.214 nan 8.230 nan 0.000 0.434 143 Y N 3.817 124.093 120.300 -0.040 0.000 2.597 143 Y HA 0.093 4.643 4.550 -0.000 0.000 0.336 143 Y C -0.485 175.386 175.900 -0.048 0.000 1.216 143 Y CA 0.198 58.265 58.100 -0.055 0.000 1.463 143 Y CB 0.492 38.901 38.460 -0.086 0.000 1.303 143 Y HN 0.387 nan 8.280 nan 0.000 0.576 144 F N 7.716 127.376 119.950 -0.484 0.000 2.427 144 F HA 0.470 4.997 4.527 -0.000 0.000 0.348 144 F C -1.257 174.212 175.800 -0.553 0.000 1.125 144 F CA -2.046 55.671 58.000 -0.472 0.000 0.989 144 F CB 0.312 39.039 39.000 -0.454 0.000 1.165 144 F HN 0.322 nan 8.300 nan 0.000 0.442 145 I N 7.309 127.570 120.570 -0.515 0.000 2.304 145 I HA 0.193 4.362 4.170 -0.000 0.000 0.291 145 I C -0.837 174.743 176.117 -0.895 0.000 1.018 145 I CA -0.871 60.042 61.300 -0.644 0.000 1.260 145 I CB 1.252 39.014 38.000 -0.397 0.000 1.390 145 I HN 0.373 nan 8.210 nan 0.000 0.475 146 L N 7.760 128.302 121.223 -1.134 0.000 2.264 146 L HA 0.404 4.744 4.340 -0.000 0.000 0.289 146 L C -0.272 176.451 176.870 -0.244 0.000 1.044 146 L CA 0.054 54.350 54.840 -0.907 0.000 0.807 146 L CB 0.812 42.257 42.059 -1.024 0.000 1.192 146 L HN 0.519 nan 8.230 nan 0.000 0.425 147 N N 4.365 123.031 118.700 -0.057 0.000 2.473 147 N HA 0.292 5.032 4.740 -0.000 0.000 0.291 147 N C 0.566 176.209 175.510 0.222 0.000 1.083 147 N CA -0.460 52.670 53.050 0.133 0.000 0.951 147 N CB 1.053 39.647 38.487 0.178 0.000 1.164 147 N HN 0.560 nan 8.380 nan 0.000 0.480 148 M N 1.422 121.213 119.600 0.319 0.000 2.388 148 M HA 0.094 4.574 4.480 -0.000 0.000 0.265 148 M C -0.483 176.272 176.300 0.757 0.000 1.088 148 M CA 0.806 56.364 55.300 0.431 0.000 1.134 148 M CB -0.820 31.973 32.600 0.322 0.000 1.384 148 M HN 0.616 nan 8.290 nan 0.000 0.447 149 Y N -0.501 120.116 120.300 0.529 0.000 2.401 149 Y HA 0.335 4.885 4.550 -0.000 0.000 0.330 149 Y C -0.886 175.268 175.900 0.423 0.000 1.071 149 Y CA -1.382 57.038 58.100 0.534 0.000 1.049 149 Y CB 0.838 39.566 38.460 0.447 0.000 1.239 149 Y HN 0.248 nan 8.280 nan 0.000 0.437 150 H N 6.430 125.369 119.070 -0.219 0.000 2.901 150 H HA 0.261 4.817 4.556 -0.000 0.000 0.227 150 H C -0.788 174.290 175.328 -0.417 0.000 1.390 150 H CA -0.155 55.658 56.048 -0.391 0.000 1.120 150 H CB 0.110 29.781 29.762 -0.152 0.000 2.131 150 H HN 0.776 nan 8.280 nan 0.000 0.549 151 W N -2.906 117.878 121.300 -0.859 0.000 0.222 151 W HA -0.184 4.476 4.660 -0.000 0.000 0.213 151 W C -2.358 174.263 176.519 0.171 0.000 0.912 151 W CA 0.320 57.414 57.345 -0.419 0.000 0.323 151 W CB -2.580 26.643 29.460 -0.395 0.000 1.905 151 W HN 0.323 nan 8.180 nan 0.000 0.947 152 P HA 0.258 nan 4.420 nan 0.000 0.267 152 P C 0.132 177.717 177.300 0.475 0.000 1.209 152 P CA 0.771 64.150 63.100 0.466 0.000 0.763 152 P CB 0.248 32.096 31.700 0.248 0.000 0.816 153 L N 6.361 127.752 121.223 0.280 0.000 2.331 153 L HA 0.482 4.822 4.340 -0.000 0.000 0.275 153 L C -2.136 174.577 176.870 -0.263 0.000 1.022 153 L CA -2.775 52.025 54.840 -0.067 0.000 0.812 153 L CB 1.491 43.395 42.059 -0.257 0.000 1.257 153 L HN 0.143 nan 8.230 nan 0.000 0.435 154 P HA -0.004 nan 4.420 nan 0.000 0.265 154 P C 0.775 177.787 177.300 -0.481 0.000 1.187 154 P CA 0.129 62.895 63.100 -0.557 0.000 0.766 154 P CB 0.564 31.630 31.700 -1.058 0.000 0.820 155 L N 2.762 123.874 121.223 -0.186 0.000 2.187 155 L HA -0.151 4.189 4.340 -0.000 0.000 0.213 155 L C 2.063 178.884 176.870 -0.083 0.000 1.100 155 L CA 1.267 56.048 54.840 -0.099 0.000 0.765 155 L CB -0.646 41.416 42.059 0.005 0.000 0.904 155 L HN 0.647 nan 8.230 nan 0.000 0.437 156 W N -1.021 120.206 121.300 -0.121 0.000 2.699 156 W HA -0.063 4.597 4.660 -0.000 0.000 0.249 156 W C 1.309 177.743 176.519 -0.141 0.000 1.280 156 W CA 0.283 57.561 57.345 -0.112 0.000 1.345 156 W CB -0.606 28.793 29.460 -0.102 0.000 1.128 156 W HN 0.188 nan 8.180 nan 0.000 0.642 157 L N -0.499 120.340 121.223 -0.641 0.000 2.556 157 L HA 0.247 4.587 4.340 -0.000 0.000 0.226 157 L C 0.293 176.983 176.870 -0.300 0.000 1.089 157 L CA 0.582 55.043 54.840 -0.632 0.000 0.864 157 L CB -0.138 41.230 42.059 -1.151 0.000 1.067 157 L HN -0.006 nan 8.230 nan 0.000 0.477 158 H N -0.196 118.669 119.070 -0.342 0.000 3.240 158 H HA 0.086 4.641 4.556 -0.000 0.000 0.329 158 H C -1.608 173.632 175.328 -0.146 0.000 1.024 158 H CA -0.622 55.286 56.048 -0.233 0.000 1.487 158 H CB 1.639 31.235 29.762 -0.276 0.000 1.909 158 H HN -0.146 nan 8.280 nan 0.000 0.465 159 D N 7.535 127.829 120.400 -0.177 0.000 2.467 159 D HA 0.133 4.772 4.640 -0.000 0.000 0.220 159 D C -1.722 174.345 176.300 -0.388 0.000 1.103 159 D CA -2.423 51.438 54.000 -0.231 0.000 0.886 159 D CB 1.804 42.545 40.800 -0.099 0.000 1.025 159 D HN 0.351 nan 8.370 nan 0.000 0.514 160 P HA -0.069 nan 4.420 nan 0.000 0.225 160 P C 1.601 178.862 177.300 -0.065 0.000 1.156 160 P CA 0.205 62.995 63.100 -0.518 0.000 0.787 160 P CB 0.678 32.074 31.700 -0.507 0.000 0.802 161 I N 0.327 120.892 120.570 -0.008 0.000 2.286 161 I HA -0.103 4.067 4.170 -0.000 0.000 0.245 161 I C 2.793 178.888 176.117 -0.037 0.000 1.104 161 I CA 1.053 62.366 61.300 0.022 0.000 1.397 161 I CB -1.441 36.550 38.000 -0.016 0.000 1.072 161 I HN -0.019 nan 8.210 nan 0.000 0.417 162 R N 0.830 121.280 120.500 -0.083 0.000 2.083 162 R HA -0.132 4.208 4.340 -0.000 0.000 0.237 162 R C 2.377 178.548 176.300 -0.216 0.000 1.137 162 R CA 1.455 57.481 56.100 -0.124 0.000 0.951 162 R CB -0.098 30.132 30.300 -0.116 0.000 0.851 162 R HN 0.147 nan 8.270 nan 0.000 0.434 163 V N 0.784 120.567 119.914 -0.219 0.000 2.358 163 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 163 V C 2.497 178.461 176.094 -0.217 0.000 1.047 163 V CA 1.966 64.049 62.300 -0.362 0.000 1.035 163 V CB -0.655 31.097 31.823 -0.118 0.000 0.658 163 V HN 0.400 nan 8.190 nan 0.000 0.452 164 R N 0.311 120.820 120.500 0.016 0.000 2.103 164 R HA -0.209 4.131 4.340 -0.000 0.000 0.242 164 R C 2.363 178.743 176.300 0.132 0.000 1.142 164 R CA 1.855 58.058 56.100 0.172 0.000 0.960 164 R CB -0.194 30.246 30.300 0.233 0.000 0.858 164 R HN 0.421 nan 8.270 nan 0.000 0.439 165 R N -1.159 119.345 120.500 0.006 0.000 2.316 165 R HA 0.009 4.349 4.340 -0.000 0.000 0.202 165 R C 1.017 177.303 176.300 -0.023 0.000 1.029 165 R CA 0.624 56.720 56.100 -0.007 0.000 1.018 165 R CB 0.223 30.496 30.300 -0.046 0.000 0.888 165 R HN 0.578 nan 8.270 nan 0.000 0.471 166 G N 1.377 110.090 108.800 -0.146 0.000 2.132 166 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.234 166 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.234 166 G C -0.591 174.066 174.900 -0.405 0.000 0.989 166 G CA 0.127 45.116 45.100 -0.184 0.000 0.676 166 G HN 0.381 nan 8.290 nan 0.000 0.522 167 D N -0.254 119.824 120.400 -0.535 0.000 2.412 167 D HA 0.557 5.197 4.640 -0.000 0.000 0.224 167 D C 0.490 176.450 176.300 -0.568 0.000 1.093 167 D CA -0.963 52.818 54.000 -0.365 0.000 0.850 167 D CB 0.035 40.723 40.800 -0.186 0.000 1.046 167 D HN 0.031 nan 8.370 nan 0.000 0.507 168 F N 1.573 121.484 119.950 -0.064 0.000 2.668 168 F HA 0.099 4.626 4.527 -0.000 0.000 0.297 168 F C 2.218 177.999 175.800 -0.033 0.000 1.124 168 F CA -0.109 57.853 58.000 -0.063 0.000 1.353 168 F CB 0.289 39.236 39.000 -0.089 0.000 0.992 168 F HN 0.349 nan 8.300 nan 0.000 0.524 169 T N -3.265 111.321 114.554 0.054 0.000 3.067 169 T HA 0.289 4.639 4.350 -0.000 0.000 0.257 169 T C 1.268 175.986 174.700 0.029 0.000 1.105 169 T CA 0.456 62.583 62.100 0.045 0.000 1.104 169 T CB -0.138 68.745 68.868 0.024 0.000 0.925 169 T HN 0.177 nan 8.240 nan 0.000 0.498 170 G N 1.730 110.537 108.800 0.011 0.000 2.583 170 G HA2 0.599 4.559 3.960 -0.000 0.000 0.280 170 G HA3 0.599 4.559 3.960 -0.000 0.000 0.280 170 G C -2.861 172.058 174.900 0.032 0.000 1.376 170 G CA -1.912 43.195 45.100 0.012 0.000 1.043 170 G HN 0.143 nan 8.290 nan 0.000 0.538 171 P HA 0.181 nan 4.420 nan 0.000 0.271 171 P C 0.219 177.565 177.300 0.076 0.000 1.233 171 P CA -0.005 63.112 63.100 0.028 0.000 0.764 171 P CB 1.256 32.959 31.700 0.005 0.000 0.825 172 S N 1.858 117.587 115.700 0.049 0.000 2.663 172 S HA 0.459 4.929 4.470 -0.000 0.000 0.243 172 S C 1.138 175.648 174.600 -0.150 0.000 1.009 172 S CA 0.052 58.306 58.200 0.090 0.000 0.988 172 S CB -0.731 62.545 63.200 0.127 0.000 0.896 172 S HN 0.674 nan 8.310 nan 0.000 0.502 173 G N 1.976 110.566 108.800 -0.350 0.000 2.583 173 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.292 173 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.292 173 G C 0.312 174.875 174.900 -0.563 0.000 1.203 173 G CA 0.268 44.916 45.100 -0.753 0.000 0.987 173 G HN 0.565 nan 8.290 nan 0.000 0.554 174 W N 1.214 122.380 121.300 -0.223 0.000 2.848 174 W HA 0.341 5.001 4.660 -0.000 0.000 0.241 174 W C 2.393 178.866 176.519 -0.076 0.000 1.289 174 W CA 0.337 57.621 57.345 -0.101 0.000 1.396 174 W CB -0.215 29.211 29.460 -0.056 0.000 1.138 174 W HN 0.306 nan 8.180 nan 0.000 0.677 175 L N -0.133 121.124 121.223 0.057 0.000 2.552 175 L HA 0.029 4.369 4.340 -0.000 0.000 0.227 175 L C 1.316 178.215 176.870 0.048 0.000 1.146 175 L CA 0.412 55.270 54.840 0.030 0.000 0.858 175 L CB -0.539 41.533 42.059 0.022 0.000 0.969 175 L HN -0.220 nan 8.230 nan 0.000 0.451 176 S N -0.816 114.911 115.700 0.046 0.000 2.473 176 S HA 0.217 4.687 4.470 -0.000 0.000 0.307 176 S C 1.177 175.862 174.600 0.142 0.000 1.094 176 S CA -0.352 57.892 58.200 0.073 0.000 1.070 176 S CB 1.463 64.687 63.200 0.039 0.000 1.019 176 S HN 0.296 nan 8.310 nan 0.000 0.480 177 T N 2.641 117.322 114.554 0.211 0.000 2.977 177 T HA -0.103 4.247 4.350 -0.000 0.000 0.271 177 T C 1.700 176.638 174.700 0.397 0.000 1.105 177 T CA 0.995 63.289 62.100 0.323 0.000 1.116 177 T CB -0.327 68.755 68.868 0.357 0.000 0.878 177 T HN 0.625 nan 8.240 nan 0.000 0.509 178 R N 1.677 122.386 120.500 0.348 0.000 2.081 178 R HA -0.043 4.297 4.340 -0.000 0.000 0.235 178 R C 2.293 178.650 176.300 0.095 0.000 1.131 178 R CA 2.022 58.231 56.100 0.180 0.000 0.960 178 R CB -1.296 29.111 30.300 0.178 0.000 0.856 178 R HN 0.408 nan 8.270 nan 0.000 0.436 179 T N -0.136 114.431 114.554 0.022 0.000 2.788 179 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 179 T C 1.758 176.543 174.700 0.142 0.000 1.044 179 T CA 1.418 63.455 62.100 -0.105 0.000 1.139 179 T CB -0.209 68.363 68.868 -0.494 0.000 0.867 179 T HN 0.031 nan 8.240 nan 0.000 0.454 180 V N 0.489 120.556 119.914 0.255 0.000 2.343 180 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 180 V C 2.003 178.266 176.094 0.280 0.000 1.051 180 V CA 1.573 64.096 62.300 0.372 0.000 1.036 180 V CB -0.702 31.321 31.823 0.334 0.000 0.654 180 V HN 0.521 nan 8.190 nan 0.000 0.451 181 Y N 1.210 121.532 120.300 0.037 0.000 2.163 181 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 181 Y C 2.627 178.508 175.900 -0.032 0.000 1.136 181 Y CA 1.883 59.916 58.100 -0.113 0.000 1.147 181 Y CB -0.054 38.088 38.460 -0.530 0.000 0.987 181 Y HN 0.236 nan 8.280 nan 0.000 0.509 182 E N -0.335 119.993 120.200 0.213 0.000 2.106 182 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 182 E C 2.074 178.823 176.600 0.247 0.000 0.984 182 E CA 1.078 57.638 56.400 0.266 0.000 0.806 182 E CB -0.777 29.189 29.700 0.443 0.000 0.750 182 E HN 0.544 nan 8.360 nan 0.000 0.458 183 F N 1.980 121.993 119.950 0.104 0.000 2.134 183 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 183 F C 2.284 177.998 175.800 -0.144 0.000 1.097 183 F CA 1.241 59.106 58.000 -0.224 0.000 1.264 183 F CB -0.493 38.518 39.000 0.019 0.000 1.001 183 F HN -0.027 nan 8.300 nan 0.000 0.479 184 A N 0.760 123.469 122.820 -0.185 0.000 1.873 184 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 184 A C 2.349 179.717 177.584 -0.360 0.000 1.193 184 A CA 2.221 54.065 52.037 -0.322 0.000 0.629 184 A CB -0.842 18.015 19.000 -0.239 0.000 0.826 184 A HN 0.477 nan 8.150 nan 0.000 0.447 185 R N -1.994 118.311 120.500 -0.325 0.000 2.081 185 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 185 R C 2.024 178.250 176.300 -0.123 0.000 1.131 185 R CA 1.525 57.472 56.100 -0.254 0.000 0.960 185 R CB -0.559 29.581 30.300 -0.266 0.000 0.856 185 R HN 0.596 nan 8.270 nan 0.000 0.436 186 F N 1.550 121.322 119.950 -0.297 0.000 2.095 186 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 186 F C 2.096 177.784 175.800 -0.187 0.000 1.104 186 F CA 1.620 59.489 58.000 -0.218 0.000 1.232 186 F CB -0.381 38.212 39.000 -0.679 0.000 0.987 186 F HN -0.147 nan 8.300 nan 0.000 0.475 187 S N 0.604 115.909 115.700 -0.659 0.000 2.368 187 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 187 S C 2.352 176.674 174.600 -0.464 0.000 1.030 187 S CA 1.068 58.841 58.200 -0.711 0.000 0.999 187 S CB -0.964 61.760 63.200 -0.793 0.000 0.844 187 S HN 0.556 nan 8.310 nan 0.000 0.459 188 A N 0.642 123.255 122.820 -0.346 0.000 1.908 188 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 188 A C 1.966 179.495 177.584 -0.091 0.000 1.181 188 A CA 1.726 53.622 52.037 -0.236 0.000 0.627 188 A CB -1.018 17.855 19.000 -0.213 0.000 0.818 188 A HN 0.591 nan 8.150 nan 0.000 0.445 189 Y N 0.562 120.791 120.300 -0.119 0.000 2.145 189 Y HA -0.210 4.340 4.550 -0.000 0.000 0.286 189 Y C 2.056 178.053 175.900 0.163 0.000 1.145 189 Y CA 1.727 59.890 58.100 0.104 0.000 1.148 189 Y CB -0.104 38.488 38.460 0.220 0.000 0.981 189 Y HN 0.241 nan 8.280 nan 0.000 0.507 190 I N 0.401 120.916 120.570 -0.092 0.000 2.252 190 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 190 I C 2.682 178.840 176.117 0.070 0.000 1.102 190 I CA 1.495 62.772 61.300 -0.038 0.000 1.385 190 I CB -1.943 35.912 38.000 -0.242 0.000 1.064 190 I HN 0.374 nan 8.210 nan 0.000 0.414 191 A N -0.041 122.731 122.820 -0.081 0.000 1.908 191 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 191 A C 2.221 179.831 177.584 0.044 0.000 1.181 191 A CA 1.729 53.722 52.037 -0.074 0.000 0.627 191 A CB -1.283 17.446 19.000 -0.451 0.000 0.818 191 A HN 0.598 nan 8.150 nan 0.000 0.445 192 W N 0.974 122.153 121.300 -0.202 0.000 2.358 192 W HA -0.135 4.525 4.660 -0.000 0.000 0.303 192 W C 1.846 178.218 176.519 -0.244 0.000 1.208 192 W CA 2.010 59.235 57.345 -0.200 0.000 1.274 192 W CB 0.114 29.451 29.460 -0.205 0.000 1.138 192 W HN 0.135 nan 8.180 nan 0.000 0.515 193 K N -0.870 119.305 120.400 -0.375 0.000 2.186 193 K HA -0.021 4.299 4.320 -0.000 0.000 0.202 193 K C 1.358 177.580 176.600 -0.629 0.000 1.052 193 K CA 1.087 56.952 56.287 -0.703 0.000 0.965 193 K CB -0.753 31.220 32.500 -0.879 0.000 0.746 193 K HN 0.229 nan 8.250 nan 0.000 0.457 194 F N 0.285 120.199 119.950 -0.059 0.000 2.682 194 F HA 0.116 4.643 4.527 -0.000 0.000 0.308 194 F C 1.474 177.308 175.800 0.056 0.000 1.093 194 F CA -0.529 57.503 58.000 0.053 0.000 1.244 194 F CB 0.194 39.306 39.000 0.186 0.000 1.052 194 F HN -0.063 nan 8.300 nan 0.000 0.573 195 D N 1.131 121.636 120.400 0.175 0.000 2.228 195 D HA -0.224 4.416 4.640 -0.000 0.000 0.203 195 D C 1.944 178.283 176.300 0.065 0.000 0.988 195 D CA 1.836 55.931 54.000 0.158 0.000 0.864 195 D CB -0.012 40.865 40.800 0.129 0.000 0.928 195 D HN 0.360 nan 8.370 nan 0.000 0.469 196 D N -0.286 120.138 120.400 0.040 0.000 2.264 196 D HA -0.152 4.488 4.640 -0.000 0.000 0.208 196 D C 1.888 178.214 176.300 0.044 0.000 0.966 196 D CA 0.583 54.595 54.000 0.019 0.000 0.864 196 D CB -0.280 40.514 40.800 -0.008 0.000 0.933 196 D HN 0.377 nan 8.370 nan 0.000 0.499 197 L N 0.224 121.512 121.223 0.109 0.000 2.556 197 L HA 0.182 4.522 4.340 -0.000 0.000 0.226 197 L C 0.604 177.539 176.870 0.108 0.000 1.089 197 L CA -0.120 54.806 54.840 0.145 0.000 0.864 197 L CB 0.805 43.041 42.059 0.296 0.000 1.067 197 L HN -0.188 nan 8.230 nan 0.000 0.477 198 V N 0.356 120.242 119.914 -0.047 0.000 2.539 198 V HA 0.126 4.246 4.120 -0.000 0.000 0.292 198 V C 0.399 176.226 176.094 -0.444 0.000 1.045 198 V CA -0.270 61.805 62.300 -0.375 0.000 0.945 198 V CB 1.875 33.248 31.823 -0.750 0.000 0.993 198 V HN 0.132 nan 8.190 nan 0.000 0.464 199 D N 1.779 121.805 120.400 -0.624 0.000 2.369 199 D HA 0.149 4.789 4.640 -0.000 0.000 0.231 199 D C 0.392 176.348 176.300 -0.574 0.000 0.967 199 D CA 0.700 54.285 54.000 -0.692 0.000 0.905 199 D CB 0.915 40.896 40.800 -1.366 0.000 1.044 199 D HN 0.675 nan 8.370 nan 0.000 0.487 200 E N -0.778 119.041 120.200 -0.635 0.000 2.416 200 E HA 0.434 4.784 4.350 -0.000 0.000 0.273 200 E C -1.339 175.014 176.600 -0.413 0.000 0.935 200 E CA -0.704 55.493 56.400 -0.338 0.000 0.784 200 E CB 2.185 31.780 29.700 -0.175 0.000 1.301 200 E HN -0.074 nan 8.360 nan 0.000 0.454 201 Y N 0.110 120.492 120.300 0.137 0.000 2.429 201 Y HA 0.416 4.966 4.550 -0.000 0.000 0.342 201 Y C 0.110 176.162 175.900 0.254 0.000 1.004 201 Y CA -0.599 57.543 58.100 0.069 0.000 1.075 201 Y CB 2.382 40.830 38.460 -0.021 0.000 1.214 201 Y HN 0.326 nan 8.280 nan 0.000 0.455 202 S N 0.087 115.969 115.700 0.303 0.000 2.503 202 S HA 0.317 4.787 4.470 -0.000 0.000 0.301 202 S C 0.815 175.526 174.600 0.185 0.000 1.087 202 S CA -0.088 58.197 58.200 0.141 0.000 1.042 202 S CB 0.940 64.211 63.200 0.118 0.000 1.043 202 S HN 0.840 nan 8.310 nan 0.000 0.489 203 T N 2.807 117.482 114.554 0.201 0.000 2.770 203 T HA 0.263 4.613 4.350 -0.000 0.000 0.263 203 T C 0.687 175.684 174.700 0.495 0.000 1.039 203 T CA 0.694 63.002 62.100 0.346 0.000 1.142 203 T CB -0.232 68.913 68.868 0.461 0.000 0.868 203 T HN 0.577 nan 8.240 nan 0.000 0.435 204 M N 0.809 120.613 119.600 0.340 0.000 2.531 204 M HA 0.421 4.901 4.480 -0.000 0.000 0.286 204 M C -1.612 174.770 176.300 0.136 0.000 1.232 204 M CA -0.764 54.731 55.300 0.326 0.000 0.877 204 M CB 2.754 35.506 32.600 0.254 0.000 1.726 204 M HN 0.064 nan 8.290 nan 0.000 0.463 205 N N 1.134 119.862 118.700 0.047 0.000 2.425 205 N HA 0.225 4.964 4.740 -0.000 0.000 0.268 205 N C -1.131 174.380 175.510 0.003 0.000 0.991 205 N CA -0.024 52.937 53.050 -0.148 0.000 0.931 205 N CB 0.770 38.844 38.487 -0.688 0.000 1.130 205 N HN 0.632 nan 8.380 nan 0.000 0.493 206 E N 1.901 122.079 120.200 -0.037 0.000 2.222 206 E HA -0.175 4.175 4.350 -0.000 0.000 0.189 206 E C -1.760 174.746 176.600 -0.157 0.000 1.415 206 E CA 0.017 56.350 56.400 -0.111 0.000 0.689 206 E CB -0.651 29.078 29.700 0.049 0.000 1.107 206 E HN 0.674 nan 8.360 nan 0.000 0.350 207 P HA -0.233 nan 4.420 nan 0.000 0.218 207 P C 1.127 178.235 177.300 -0.321 0.000 1.148 207 P CA 1.585 64.536 63.100 -0.248 0.000 0.822 207 P CB -0.015 31.551 31.700 -0.224 0.000 0.784 208 N N 0.399 118.805 118.700 -0.490 0.000 2.223 208 N HA -0.096 4.644 4.740 -0.000 0.000 0.185 208 N C 1.629 176.951 175.510 -0.313 0.000 1.016 208 N CA 1.120 53.952 53.050 -0.362 0.000 0.863 208 N CB -1.702 36.468 38.487 -0.528 0.000 0.983 208 N HN 0.077 nan 8.380 nan 0.000 0.429 209 V N 0.859 120.526 119.914 -0.411 0.000 2.379 209 V HA -0.124 3.996 4.120 -0.000 0.000 0.245 209 V C 2.654 178.435 176.094 -0.521 0.000 1.044 209 V CA 0.891 62.895 62.300 -0.494 0.000 1.036 209 V CB -0.419 31.073 31.823 -0.552 0.000 0.664 209 V HN 0.107 nan 8.190 nan 0.000 0.453 210 V N 1.165 120.772 119.914 -0.511 0.000 2.252 210 V HA -0.243 3.877 4.120 -0.000 0.000 0.249 210 V C 2.593 178.635 176.094 -0.086 0.000 1.056 210 V CA 2.497 64.592 62.300 -0.341 0.000 1.022 210 V CB -1.404 30.292 31.823 -0.211 0.000 0.641 210 V HN 0.609 nan 8.190 nan 0.000 0.445 211 G N -0.730 108.049 108.800 -0.035 0.000 2.408 211 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.215 211 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.215 211 G C 1.574 176.560 174.900 0.144 0.000 1.156 211 G CA 0.807 45.999 45.100 0.154 0.000 0.793 211 G HN 0.589 nan 8.290 nan 0.000 0.535 212 G N 0.981 109.769 108.800 -0.020 0.000 2.414 212 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.215 212 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.215 212 G C 1.755 176.591 174.900 -0.108 0.000 1.188 212 G CA 0.604 45.675 45.100 -0.048 0.000 0.783 212 G HN 0.373 nan 8.290 nan 0.000 0.537 213 L N 0.816 121.876 121.223 -0.272 0.000 2.156 213 L HA 0.071 4.411 4.340 -0.000 0.000 0.208 213 L C 3.147 179.888 176.870 -0.215 0.000 1.095 213 L CA 0.774 55.399 54.840 -0.359 0.000 0.770 213 L CB -0.647 40.891 42.059 -0.868 0.000 0.914 213 L HN 0.344 nan 8.230 nan 0.000 0.439 214 G N -0.721 107.959 108.800 -0.200 0.000 2.422 214 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 214 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 214 G C 1.011 175.570 174.900 -0.568 0.000 1.146 214 G CA 0.848 45.699 45.100 -0.414 0.000 0.769 214 G HN 0.417 nan 8.290 nan 0.000 0.547 215 Y N -2.166 118.142 120.300 0.013 0.000 2.610 215 Y HA 0.391 4.941 4.550 -0.000 0.000 0.254 215 Y C 1.642 177.566 175.900 0.041 0.000 1.110 215 Y CA -0.290 57.851 58.100 0.070 0.000 1.238 215 Y CB 0.975 39.504 38.460 0.114 0.000 1.322 215 Y HN 0.033 nan 8.280 nan 0.000 0.547 216 V N -1.881 118.103 119.914 0.117 0.000 3.279 216 V HA 0.275 4.395 4.120 -0.000 0.000 0.213 216 V C 1.562 177.669 176.094 0.023 0.000 1.335 216 V CA 0.646 63.004 62.300 0.097 0.000 1.317 216 V CB -0.153 31.777 31.823 0.179 0.000 1.209 216 V HN 0.202 nan 8.190 nan 0.000 0.525 217 G N 1.523 110.309 108.800 -0.024 0.000 3.316 217 G HA2 0.302 4.262 3.960 -0.000 0.000 0.255 217 G HA3 0.302 4.262 3.960 -0.000 0.000 0.255 217 G C 1.045 175.914 174.900 -0.052 0.000 0.880 217 G CA 0.639 45.706 45.100 -0.054 0.000 1.956 217 G HN 0.469 nan 8.290 nan 0.000 0.634 218 V N -0.994 118.910 119.914 -0.017 0.000 2.970 218 V HA 0.023 4.143 4.120 -0.000 0.000 0.260 218 V C 2.173 178.305 176.094 0.064 0.000 1.100 218 V CA 1.159 63.468 62.300 0.016 0.000 1.122 218 V CB -0.319 31.508 31.823 0.007 0.000 0.721 218 V HN 0.428 nan 8.190 nan 0.000 0.483 219 K N 2.010 122.438 120.400 0.046 0.000 2.442 219 K HA -0.034 4.286 4.320 -0.000 0.000 0.198 219 K C 2.237 178.904 176.600 0.112 0.000 1.042 219 K CA 1.305 57.636 56.287 0.073 0.000 0.958 219 K CB -0.217 32.317 32.500 0.055 0.000 0.766 219 K HN 0.769 nan 8.250 nan 0.000 0.474 220 S N -0.026 115.730 115.700 0.092 0.000 2.515 220 S HA 0.004 4.474 4.470 -0.000 0.000 0.231 220 S C 1.367 176.194 174.600 0.379 0.000 0.987 220 S CA 0.387 58.677 58.200 0.150 0.000 0.936 220 S CB -0.235 62.910 63.200 -0.092 0.000 0.766 220 S HN 0.373 nan 8.310 nan 0.000 0.528 221 G N 0.843 109.861 108.800 0.364 0.000 2.295 221 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.287 221 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.287 221 G C -0.343 174.944 174.900 0.644 0.000 1.055 221 G CA -0.015 45.406 45.100 0.535 0.000 0.922 221 G HN 0.423 nan 8.290 nan 0.000 0.503 222 F N 1.236 121.165 119.950 -0.035 0.000 2.422 222 F HA 0.535 5.062 4.527 -0.000 0.000 0.333 222 F C -1.212 173.878 175.800 -1.183 0.000 1.095 222 F CA -2.847 54.848 58.000 -0.509 0.000 1.038 222 F CB 1.793 40.592 39.000 -0.334 0.000 1.156 222 F HN -0.037 nan 8.300 nan 0.000 0.483 223 P HA 0.136 nan 4.420 nan 0.000 0.275 223 P C -2.421 174.302 177.300 -0.961 0.000 1.228 223 P CA -1.365 60.472 63.100 -2.104 0.000 0.786 223 P CB 0.951 31.480 31.700 -1.951 0.000 0.927 224 P HA 0.051 nan 4.420 nan 0.000 0.257 224 P C 0.793 177.889 177.300 -0.340 0.000 1.281 224 P CA 0.426 63.170 63.100 -0.594 0.000 0.826 224 P CB -0.266 31.360 31.700 -0.124 0.000 1.237 225 G N 0.290 108.861 108.800 -0.381 0.000 2.273 225 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.280 225 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.280 225 G C -0.592 174.362 174.900 0.090 0.000 1.047 225 G CA -0.063 45.034 45.100 -0.006 0.000 0.869 225 G HN 0.485 nan 8.290 nan 0.000 0.502 226 Y N -0.125 120.125 120.300 -0.083 0.000 2.342 226 Y HA 0.594 5.144 4.550 -0.000 0.000 0.338 226 Y C 0.166 176.133 175.900 0.111 0.000 0.965 226 Y CA -1.797 56.344 58.100 0.069 0.000 1.159 226 Y CB 1.099 39.678 38.460 0.198 0.000 1.157 226 Y HN 0.273 nan 8.280 nan 0.000 0.486 227 L N 6.427 127.426 121.223 -0.374 0.000 2.342 227 L HA 0.463 4.803 4.340 -0.000 0.000 0.285 227 L C -0.614 176.087 176.870 -0.283 0.000 1.095 227 L CA 0.441 55.132 54.840 -0.249 0.000 0.843 227 L CB 0.079 41.984 42.059 -0.257 0.000 1.201 227 L HN 0.593 nan 8.230 nan 0.000 0.445 228 S N 4.193 119.869 115.700 -0.039 0.000 2.599 228 S HA 0.340 4.810 4.470 -0.000 0.000 0.269 228 S C 0.696 175.365 174.600 0.115 0.000 1.135 228 S CA -0.589 57.616 58.200 0.009 0.000 1.027 228 S CB 0.097 63.449 63.200 0.254 0.000 1.129 228 S HN 0.409 nan 8.310 nan 0.000 0.458 229 F N 2.738 122.697 119.950 0.016 0.000 2.095 229 F HA -0.031 4.496 4.527 -0.000 0.000 0.298 229 F C 2.520 178.301 175.800 -0.031 0.000 1.104 229 F CA 1.881 59.872 58.000 -0.015 0.000 1.232 229 F CB -0.699 38.277 39.000 -0.040 0.000 0.987 229 F HN 0.790 nan 8.300 nan 0.000 0.475 230 E N 0.471 120.771 120.200 0.166 0.000 2.058 230 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 230 E C 2.234 178.826 176.600 -0.013 0.000 0.997 230 E CA 1.305 57.733 56.400 0.048 0.000 0.801 230 E CB -0.250 29.458 29.700 0.014 0.000 0.746 230 E HN 0.390 nan 8.360 nan 0.000 0.450 231 L N 0.203 121.420 121.223 -0.009 0.000 2.217 231 L HA -0.089 4.250 4.340 -0.000 0.000 0.211 231 L C 2.734 179.413 176.870 -0.318 0.000 1.107 231 L CA 0.656 55.407 54.840 -0.148 0.000 0.783 231 L CB -0.366 41.643 42.059 -0.083 0.000 0.919 231 L HN 0.140 nan 8.230 nan 0.000 0.442 232 S N 0.211 115.842 115.700 -0.116 0.000 2.370 232 S HA -0.192 4.278 4.470 -0.000 0.000 0.226 232 S C 2.167 176.738 174.600 -0.049 0.000 1.033 232 S CA 1.376 59.538 58.200 -0.063 0.000 1.011 232 S CB -0.038 63.247 63.200 0.142 0.000 0.852 232 S HN 0.342 nan 8.310 nan 0.000 0.457 233 R N 0.267 120.750 120.500 -0.028 0.000 2.081 233 R HA -0.023 4.317 4.340 -0.000 0.000 0.235 233 R C 2.714 179.031 176.300 0.028 0.000 1.131 233 R CA 1.569 57.663 56.100 -0.010 0.000 0.960 233 R CB -0.320 29.953 30.300 -0.045 0.000 0.856 233 R HN 0.399 nan 8.270 nan 0.000 0.436 234 R N 0.692 121.168 120.500 -0.040 0.000 2.073 234 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 234 R C 2.165 178.483 176.300 0.030 0.000 1.134 234 R CA 1.576 57.665 56.100 -0.018 0.000 0.952 234 R CB -0.266 29.982 30.300 -0.087 0.000 0.850 234 R HN 0.217 nan 8.270 nan 0.000 0.433 235 A N 0.856 123.620 122.820 -0.093 0.000 1.908 235 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 235 A C 2.132 179.748 177.584 0.054 0.000 1.181 235 A CA 1.510 53.532 52.037 -0.024 0.000 0.627 235 A CB -0.387 18.506 19.000 -0.178 0.000 0.818 235 A HN 0.299 nan 8.150 nan 0.000 0.445 236 M N -2.087 117.571 119.600 0.097 0.000 2.117 236 M HA -0.085 4.395 4.480 -0.000 0.000 0.262 236 M C 2.108 178.541 176.300 0.221 0.000 1.065 236 M CA 1.262 56.685 55.300 0.206 0.000 1.114 236 M CB -1.563 31.274 32.600 0.396 0.000 1.361 236 M HN 0.602 nan 8.290 nan 0.000 0.408 237 Y N 1.819 122.188 120.300 0.114 0.000 2.128 237 Y HA -0.294 4.256 4.550 -0.000 0.000 0.284 237 Y C 2.191 178.120 175.900 0.048 0.000 1.154 237 Y CA 1.911 60.059 58.100 0.080 0.000 1.149 237 Y CB -0.288 38.208 38.460 0.060 0.000 0.976 237 Y HN 0.328 nan 8.280 nan 0.000 0.505 238 N N 0.344 119.170 118.700 0.211 0.000 2.142 238 N HA -0.201 4.539 4.740 -0.000 0.000 0.186 238 N C 2.025 177.564 175.510 0.048 0.000 1.023 238 N CA 1.675 54.831 53.050 0.176 0.000 0.852 238 N CB -0.541 38.124 38.487 0.296 0.000 0.998 238 N HN 0.466 nan 8.380 nan 0.000 0.424 239 I N 0.839 121.334 120.570 -0.126 0.000 2.286 239 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 239 I C 1.885 177.879 176.117 -0.205 0.000 1.115 239 I CA 0.670 61.708 61.300 -0.436 0.000 1.392 239 I CB 0.056 37.649 38.000 -0.679 0.000 1.065 239 I HN 0.039 nan 8.210 nan 0.000 0.418 240 I N 0.678 121.144 120.570 -0.173 0.000 2.127 240 I HA -0.382 3.788 4.170 -0.000 0.000 0.241 240 I C 2.655 178.643 176.117 -0.216 0.000 1.075 240 I CA 1.910 63.030 61.300 -0.300 0.000 1.334 240 I CB -0.484 37.233 38.000 -0.473 0.000 1.040 240 I HN 0.378 nan 8.210 nan 0.000 0.405 241 Q N 1.086 120.752 119.800 -0.223 0.000 2.226 241 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 241 Q C 2.187 178.178 176.000 -0.015 0.000 0.975 241 Q CA 1.527 57.244 55.803 -0.143 0.000 0.866 241 Q CB -0.511 28.137 28.738 -0.150 0.000 0.915 241 Q HN 0.499 nan 8.270 nan 0.000 0.440 242 A N 1.497 124.353 122.820 0.061 0.000 1.930 242 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 242 A C 1.938 179.658 177.584 0.227 0.000 1.175 242 A CA 1.640 53.808 52.037 0.219 0.000 0.627 242 A CB -0.883 18.316 19.000 0.331 0.000 0.815 242 A HN 0.668 nan 8.150 nan 0.000 0.443 243 H N 0.156 119.260 119.070 0.056 0.000 2.321 243 H HA 0.030 4.586 4.556 -0.000 0.000 0.300 243 H C 2.109 177.450 175.328 0.022 0.000 1.087 243 H CA 2.108 58.197 56.048 0.070 0.000 1.319 243 H CB -0.379 29.350 29.762 -0.055 0.000 1.379 243 H HN 0.350 nan 8.280 nan 0.000 0.501 244 A N 1.402 124.058 122.820 -0.274 0.000 1.883 244 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 244 A C 2.415 179.897 177.584 -0.170 0.000 1.186 244 A CA 1.735 53.602 52.037 -0.284 0.000 0.624 244 A CB -0.402 18.488 19.000 -0.182 0.000 0.822 244 A HN 0.411 nan 8.150 nan 0.000 0.444 245 R N -0.342 120.099 120.500 -0.098 0.000 2.096 245 R HA -0.049 4.291 4.340 -0.000 0.000 0.235 245 R C 2.332 178.550 176.300 -0.137 0.000 1.127 245 R CA 1.364 57.415 56.100 -0.082 0.000 0.968 245 R CB -1.176 29.101 30.300 -0.038 0.000 0.861 245 R HN 0.544 nan 8.270 nan 0.000 0.440 246 A N 0.283 123.012 122.820 -0.153 0.000 1.969 246 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 246 A C 2.056 179.488 177.584 -0.253 0.000 1.169 246 A CA 0.955 52.826 52.037 -0.276 0.000 0.635 246 A CB -0.635 18.169 19.000 -0.326 0.000 0.810 246 A HN 0.382 nan 8.150 nan 0.000 0.445 247 Y N 1.285 121.356 120.300 -0.382 0.000 2.145 247 Y HA -0.231 4.319 4.550 -0.000 0.000 0.286 247 Y C 1.840 177.597 175.900 -0.238 0.000 1.145 247 Y CA 2.134 60.035 58.100 -0.333 0.000 1.148 247 Y CB -0.217 37.994 38.460 -0.415 0.000 0.981 247 Y HN 0.345 nan 8.280 nan 0.000 0.507 248 D N -0.279 120.123 120.400 0.003 0.000 2.123 248 D HA -0.154 4.486 4.640 -0.000 0.000 0.196 248 D C 2.369 178.569 176.300 -0.166 0.000 0.992 248 D CA 1.547 55.514 54.000 -0.055 0.000 0.833 248 D CB -0.954 39.831 40.800 -0.025 0.000 0.954 248 D HN 0.546 nan 8.370 nan 0.000 0.455 249 G N 0.666 109.344 108.800 -0.204 0.000 2.421 249 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 249 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 249 G C 1.787 176.520 174.900 -0.279 0.000 1.171 249 G CA 0.425 45.382 45.100 -0.238 0.000 0.775 249 G HN 0.279 nan 8.290 nan 0.000 0.543 250 I N 0.164 120.517 120.570 -0.363 0.000 2.252 250 I HA -0.083 4.087 4.170 -0.000 0.000 0.245 250 I C 2.599 178.499 176.117 -0.362 0.000 1.102 250 I CA 0.811 61.843 61.300 -0.446 0.000 1.385 250 I CB -0.065 37.562 38.000 -0.622 0.000 1.064 250 I HN -0.040 nan 8.210 nan 0.000 0.414 251 K N 0.827 121.004 120.400 -0.372 0.000 2.209 251 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 251 K C 2.259 178.758 176.600 -0.168 0.000 1.048 251 K CA 1.612 57.727 56.287 -0.287 0.000 0.940 251 K CB -0.564 31.739 32.500 -0.329 0.000 0.729 251 K HN 0.436 nan 8.250 nan 0.000 0.451 252 S N -0.273 115.330 115.700 -0.161 0.000 2.447 252 S HA -0.061 4.409 4.470 -0.000 0.000 0.233 252 S C 1.745 176.297 174.600 -0.081 0.000 1.006 252 S CA 0.969 59.103 58.200 -0.110 0.000 0.957 252 S CB 0.000 63.129 63.200 -0.119 0.000 0.773 252 S HN 0.005 nan 8.310 nan 0.000 0.507 253 V N 0.057 119.919 119.914 -0.087 0.000 3.556 253 V HA 0.421 4.541 4.120 -0.000 0.000 0.287 253 V C 0.531 176.621 176.094 -0.006 0.000 1.422 253 V CA 0.340 62.634 62.300 -0.010 0.000 1.038 253 V CB 0.535 32.389 31.823 0.051 0.000 0.850 253 V HN 0.511 nan 8.190 nan 0.000 0.437 254 S N -0.472 115.194 115.700 -0.057 0.000 2.564 254 S HA 0.476 4.945 4.470 -0.000 0.000 0.274 254 S C 0.184 174.774 174.600 -0.017 0.000 1.124 254 S CA -0.622 57.570 58.200 -0.013 0.000 0.869 254 S CB 1.913 65.112 63.200 -0.002 0.000 1.105 254 S HN 0.043 nan 8.310 nan 0.000 0.472 255 K N 1.726 122.141 120.400 0.026 0.000 2.367 255 K HA 0.219 4.539 4.320 -0.000 0.000 0.194 255 K C 0.112 176.749 176.600 0.060 0.000 1.027 255 K CA 0.221 56.525 56.287 0.028 0.000 1.075 255 K CB 0.038 32.558 32.500 0.033 0.000 0.845 255 K HN 0.513 nan 8.250 nan 0.000 0.529 256 K N 1.887 122.347 120.400 0.101 0.000 2.219 256 K HA 0.125 4.445 4.320 -0.000 0.000 0.258 256 K C -2.466 174.251 176.600 0.196 0.000 1.008 256 K CA -1.635 54.737 56.287 0.141 0.000 0.928 256 K CB -0.155 32.426 32.500 0.136 0.000 0.983 256 K HN -0.156 nan 8.250 nan 0.000 0.484 257 P HA 0.063 nan 4.420 nan 0.000 0.271 257 P C -1.036 176.553 177.300 0.483 0.000 1.216 257 P CA -0.250 63.082 63.100 0.386 0.000 0.776 257 P CB 0.653 32.659 31.700 0.509 0.000 0.881 258 V N 2.909 123.057 119.914 0.389 0.000 2.443 258 V HA 0.707 4.827 4.120 -0.000 0.000 0.293 258 V C 0.663 176.802 176.094 0.076 0.000 1.021 258 V CA -0.181 62.275 62.300 0.261 0.000 0.848 258 V CB 1.435 33.228 31.823 -0.050 0.000 0.998 258 V HN 0.803 nan 8.190 nan 0.000 0.424 259 G N 3.583 112.104 108.800 -0.464 0.000 3.262 259 G HA2 0.880 4.840 3.960 -0.000 0.000 0.229 259 G HA3 0.880 4.840 3.960 -0.000 0.000 0.229 259 G C -1.293 173.227 174.900 -0.634 0.000 1.280 259 G CA -0.618 43.842 45.100 -1.065 0.000 0.951 259 G HN 0.607 nan 8.290 nan 0.000 0.589 260 I N -0.812 119.325 120.570 -0.722 0.000 2.913 260 I HA 0.538 4.708 4.170 -0.000 0.000 0.302 260 I C -1.427 174.528 176.117 -0.271 0.000 1.246 260 I CA -1.144 59.941 61.300 -0.359 0.000 1.010 260 I CB 2.522 40.303 38.000 -0.365 0.000 1.259 260 I HN 0.315 nan 8.210 nan 0.000 0.434 261 I N 5.421 125.941 120.570 -0.083 0.000 2.441 261 I HA 0.377 4.547 4.170 -0.000 0.000 0.295 261 I C -1.537 174.643 176.117 0.105 0.000 0.994 261 I CA -0.614 60.706 61.300 0.035 0.000 1.144 261 I CB 1.865 39.895 38.000 0.051 0.000 1.314 261 I HN 0.409 nan 8.210 nan 0.000 0.445 262 Y N 4.318 124.625 120.300 0.011 0.000 2.524 262 Y HA 0.692 5.242 4.550 -0.000 0.000 0.347 262 Y C -0.355 175.574 175.900 0.048 0.000 1.005 262 Y CA -0.975 57.124 58.100 -0.002 0.000 1.025 262 Y CB 1.998 40.563 38.460 0.174 0.000 1.275 262 Y HN 0.579 nan 8.280 nan 0.000 0.460 263 A N 5.274 127.876 122.820 -0.363 0.000 2.347 263 A HA 0.421 4.741 4.320 -0.000 0.000 0.287 263 A C -0.781 176.775 177.584 -0.046 0.000 1.199 263 A CA -0.439 51.486 52.037 -0.187 0.000 0.851 263 A CB -0.304 18.526 19.000 -0.284 0.000 1.118 263 A HN 0.727 nan 8.150 nan 0.000 0.525 264 N N 0.967 119.737 118.700 0.117 0.000 2.370 264 N HA 0.535 5.275 4.740 -0.000 0.000 0.303 264 N C -0.895 174.653 175.510 0.062 0.000 1.103 264 N CA -0.233 52.934 53.050 0.194 0.000 0.848 264 N CB 2.012 40.704 38.487 0.341 0.000 1.235 264 N HN 0.545 nan 8.380 nan 0.000 0.496 265 S N -0.217 115.446 115.700 -0.062 0.000 2.548 265 S HA 0.352 4.822 4.470 -0.000 0.000 0.286 265 S C -0.788 173.599 174.600 -0.356 0.000 1.098 265 S CA -0.614 57.416 58.200 -0.283 0.000 0.930 265 S CB 1.183 64.027 63.200 -0.594 0.000 1.070 265 S HN 0.412 nan 8.310 nan 0.000 0.480 266 S N 3.525 119.168 115.700 -0.095 0.000 2.439 266 S HA 0.489 4.959 4.470 -0.000 0.000 0.282 266 S C -0.969 173.442 174.600 -0.315 0.000 1.170 266 S CA -0.493 57.666 58.200 -0.069 0.000 1.054 266 S CB -0.687 62.645 63.200 0.219 0.000 0.956 266 S HN 0.478 nan 8.310 nan 0.000 0.490 267 F N 4.278 124.203 119.950 -0.042 0.000 2.420 267 F HA 0.420 4.947 4.527 -0.000 0.000 0.352 267 F C 0.995 176.739 175.800 -0.094 0.000 1.108 267 F CA -0.370 57.568 58.000 -0.103 0.000 1.162 267 F CB 0.867 39.774 39.000 -0.156 0.000 1.118 267 F HN 0.355 nan 8.300 nan 0.000 0.510 268 Q N 4.986 124.775 119.800 -0.017 0.000 2.353 268 Q HA 0.379 4.719 4.340 -0.000 0.000 0.268 268 Q C -2.676 173.274 176.000 -0.083 0.000 1.045 268 Q CA -2.319 53.444 55.803 -0.068 0.000 0.811 268 Q CB 2.407 31.020 28.738 -0.207 0.000 1.305 268 Q HN 0.264 nan 8.270 nan 0.000 0.447 269 P HA 0.050 nan 4.420 nan 0.000 0.281 269 P C 0.601 177.842 177.300 -0.098 0.000 1.252 269 P CA -0.434 62.632 63.100 -0.056 0.000 0.778 269 P CB 1.058 32.744 31.700 -0.022 0.000 0.895 270 L N 3.564 124.721 121.223 -0.110 0.000 1.989 270 L HA -0.051 4.289 4.340 -0.000 0.000 0.211 270 L C 1.038 177.870 176.870 -0.063 0.000 1.071 270 L CA 2.520 57.281 54.840 -0.132 0.000 0.749 270 L CB -1.058 40.947 42.059 -0.089 0.000 0.890 270 L HN 0.591 nan 8.230 nan 0.000 0.431 271 T N -4.374 110.162 114.554 -0.029 0.000 2.907 271 T HA 0.314 4.664 4.350 -0.000 0.000 0.290 271 T C 0.529 175.227 174.700 -0.002 0.000 1.066 271 T CA -0.093 62.003 62.100 -0.006 0.000 1.012 271 T CB 1.206 70.076 68.868 0.004 0.000 1.184 271 T HN 0.308 nan 8.240 nan 0.000 0.522 272 D N -0.260 120.144 120.400 0.007 0.000 2.384 272 D HA -0.058 4.582 4.640 -0.000 0.000 0.222 272 D C 1.122 177.426 176.300 0.007 0.000 0.976 272 D CA 0.352 54.357 54.000 0.009 0.000 0.915 272 D CB -0.324 40.484 40.800 0.014 0.000 0.896 272 D HN 0.362 nan 8.370 nan 0.000 0.523 273 K N 0.139 120.542 120.400 0.006 0.000 2.469 273 K HA 0.091 4.411 4.320 -0.000 0.000 0.201 273 K C 0.255 176.857 176.600 0.004 0.000 1.028 273 K CA 0.130 56.421 56.287 0.006 0.000 1.170 273 K CB 0.004 32.509 32.500 0.008 0.000 0.874 273 K HN 0.352 nan 8.250 nan 0.000 0.507 274 D N -0.065 120.334 120.400 -0.001 0.000 2.501 274 D HA 0.221 4.861 4.640 -0.000 0.000 0.224 274 D C 1.238 177.529 176.300 -0.015 0.000 1.202 274 D CA -0.019 53.977 54.000 -0.006 0.000 0.829 274 D CB 0.427 41.221 40.800 -0.011 0.000 1.023 274 D HN 0.223 nan 8.370 nan 0.000 0.499 275 M N -0.005 119.590 119.600 -0.010 0.000 2.175 275 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 275 M C 1.948 178.233 176.300 -0.026 0.000 1.063 275 M CA 1.177 56.470 55.300 -0.011 0.000 1.119 275 M CB -0.242 32.358 32.600 0.000 0.000 1.377 275 M HN 0.051 nan 8.290 nan 0.000 0.415 276 E N 0.624 120.810 120.200 -0.023 0.000 2.072 276 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 276 E C 2.073 178.633 176.600 -0.066 0.000 0.985 276 E CA 1.221 57.603 56.400 -0.030 0.000 0.801 276 E CB 0.076 29.769 29.700 -0.012 0.000 0.750 276 E HN 0.457 nan 8.360 nan 0.000 0.452 277 A N 0.689 123.473 122.820 -0.060 0.000 1.917 277 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 277 A C 2.440 179.847 177.584 -0.294 0.000 1.182 277 A CA 1.507 53.478 52.037 -0.110 0.000 0.633 277 A CB -0.765 18.228 19.000 -0.012 0.000 0.819 277 A HN 0.185 nan 8.150 nan 0.000 0.448 278 V N -0.228 119.575 119.914 -0.184 0.000 2.295 278 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 278 V C 2.454 178.388 176.094 -0.266 0.000 1.049 278 V CA 2.431 64.615 62.300 -0.192 0.000 1.024 278 V CB -0.817 30.976 31.823 -0.050 0.000 0.648 278 V HN 0.665 nan 8.190 nan 0.000 0.447 279 E N -0.480 119.625 120.200 -0.158 0.000 2.058 279 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 279 E C 2.250 178.749 176.600 -0.168 0.000 0.997 279 E CA 1.791 58.133 56.400 -0.097 0.000 0.801 279 E CB -0.223 29.459 29.700 -0.031 0.000 0.746 279 E HN 0.551 nan 8.360 nan 0.000 0.450 280 M N 0.068 119.525 119.600 -0.239 0.000 2.117 280 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 280 M C 2.510 178.508 176.300 -0.503 0.000 1.065 280 M CA 1.433 56.585 55.300 -0.248 0.000 1.114 280 M CB -0.258 32.263 32.600 -0.132 0.000 1.361 280 M HN 0.125 nan 8.290 nan 0.000 0.408 281 A N 0.498 122.694 122.820 -1.040 0.000 1.902 281 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 281 A C 1.943 178.861 177.584 -1.111 0.000 1.181 281 A CA 1.785 53.026 52.037 -1.326 0.000 0.623 281 A CB -0.685 17.346 19.000 -1.615 0.000 0.818 281 A HN 0.546 nan 8.150 nan 0.000 0.443 282 E N -0.127 119.559 120.200 -0.856 0.000 2.110 282 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 282 E C 1.804 178.085 176.600 -0.532 0.000 0.988 282 E CA 1.024 56.993 56.400 -0.718 0.000 0.804 282 E CB -0.196 29.210 29.700 -0.490 0.000 0.745 282 E HN 0.540 nan 8.360 nan 0.000 0.458 283 N N 1.272 119.876 118.700 -0.160 0.000 2.043 283 N HA -0.151 4.589 4.740 -0.000 0.000 0.193 283 N C 1.324 176.934 175.510 0.167 0.000 1.037 283 N CA 1.337 54.467 53.050 0.134 0.000 0.851 283 N CB -0.356 38.210 38.487 0.130 0.000 1.027 283 N HN 0.119 nan 8.380 nan 0.000 0.422 284 D N -0.045 120.359 120.400 0.006 0.000 2.312 284 D HA 0.016 4.656 4.640 -0.000 0.000 0.211 284 D C 0.912 177.286 176.300 0.123 0.000 0.964 284 D CA 0.630 54.629 54.000 -0.002 0.000 0.877 284 D CB -0.078 40.717 40.800 -0.008 0.000 0.924 284 D HN 0.313 nan 8.370 nan 0.000 0.515 285 N N -0.711 118.081 118.700 0.154 0.000 2.210 285 N HA 0.126 4.866 4.740 -0.000 0.000 0.203 285 N C 1.362 177.131 175.510 0.432 0.000 1.175 285 N CA 0.071 53.300 53.050 0.298 0.000 0.894 285 N CB 1.764 40.346 38.487 0.158 0.000 1.041 285 N HN 0.071 nan 8.380 nan 0.000 0.506 286 R N -0.863 119.779 120.500 0.238 0.000 3.718 286 R HA 0.181 4.521 4.340 -0.000 0.000 0.136 286 R C 1.009 177.424 176.300 0.191 0.000 0.698 286 R CA -0.042 56.093 56.100 0.058 0.000 1.110 286 R CB -0.174 29.816 30.300 -0.518 0.000 1.594 286 R HN -0.017 nan 8.270 nan 0.000 0.490 287 W N 1.570 123.007 121.300 0.228 0.000 2.381 287 W HA -0.154 4.506 4.660 -0.000 0.000 0.301 287 W C 2.001 178.649 176.519 0.215 0.000 1.205 287 W CA 0.413 57.889 57.345 0.218 0.000 1.285 287 W CB -0.333 29.198 29.460 0.119 0.000 1.133 287 W HN 0.356 nan 8.180 nan 0.000 0.521 288 W N 0.584 122.091 121.300 0.345 0.000 2.321 288 W HA -0.295 4.364 4.660 -0.000 0.000 0.306 288 W C 1.786 178.410 176.519 0.175 0.000 1.217 288 W CA 1.138 58.611 57.345 0.214 0.000 1.257 288 W CB -1.941 27.611 29.460 0.154 0.000 1.145 288 W HN 0.025 nan 8.180 nan 0.000 0.509 289 F N 0.784 119.962 119.950 -1.288 0.000 2.084 289 F HA -0.096 4.431 4.527 -0.000 0.000 0.296 289 F C 2.342 177.680 175.800 -0.769 0.000 1.111 289 F CA 2.298 59.472 58.000 -1.376 0.000 1.224 289 F CB -1.002 37.182 39.000 -1.360 0.000 0.991 289 F HN -0.271 nan 8.300 nan 0.000 0.471 290 F N 0.527 120.347 119.950 -0.216 0.000 2.325 290 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 290 F C 2.123 177.742 175.800 -0.302 0.000 1.090 290 F CA 1.076 58.927 58.000 -0.248 0.000 1.392 290 F CB -0.622 38.362 39.000 -0.026 0.000 1.053 290 F HN -0.055 nan 8.300 nan 0.000 0.521 291 D N 0.120 120.571 120.400 0.085 0.000 2.219 291 D HA -0.120 4.520 4.640 -0.000 0.000 0.205 291 D C 2.277 178.506 176.300 -0.119 0.000 0.970 291 D CA 1.159 55.183 54.000 0.040 0.000 0.851 291 D CB -0.373 40.513 40.800 0.143 0.000 0.943 291 D HN 0.247 nan 8.370 nan 0.000 0.488 292 A N 0.980 123.645 122.820 -0.258 0.000 1.854 292 A HA -0.083 4.237 4.320 -0.000 0.000 0.214 292 A C 2.199 179.557 177.584 -0.376 0.000 1.192 292 A CA 1.175 53.018 52.037 -0.323 0.000 0.611 292 A CB -0.660 18.072 19.000 -0.447 0.000 0.832 292 A HN 0.376 nan 8.150 nan 0.000 0.442 293 I N -3.916 116.338 120.570 -0.526 0.000 3.578 293 I HA 0.208 4.378 4.170 -0.000 0.000 0.295 293 I C 1.557 177.466 176.117 -0.347 0.000 1.280 293 I CA 0.761 61.791 61.300 -0.452 0.000 1.347 293 I CB 0.048 37.695 38.000 -0.588 0.000 1.051 293 I HN 0.195 nan 8.210 nan 0.000 0.460 294 I N 0.455 120.831 120.570 -0.322 0.000 3.565 294 I HA 0.146 4.316 4.170 -0.000 0.000 0.287 294 I C 2.148 178.154 176.117 -0.184 0.000 1.193 294 I CA 0.248 61.383 61.300 -0.274 0.000 1.402 294 I CB 0.101 37.871 38.000 -0.384 0.000 1.284 294 I HN -0.025 nan 8.210 nan 0.000 0.454 295 R N 0.690 121.102 120.500 -0.148 0.000 2.397 295 R HA 0.294 4.634 4.340 -0.000 0.000 0.241 295 R C 1.235 177.484 176.300 -0.086 0.000 0.914 295 R CA 0.606 56.656 56.100 -0.084 0.000 1.071 295 R CB 0.814 31.097 30.300 -0.028 0.000 1.116 295 R HN 0.383 nan 8.270 nan 0.000 0.524 296 G N 1.797 110.521 108.800 -0.126 0.000 2.168 296 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.263 296 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.263 296 G C -0.215 174.638 174.900 -0.078 0.000 0.977 296 G CA 0.229 45.260 45.100 -0.115 0.000 0.659 296 G HN 0.408 nan 8.290 nan 0.000 0.533 297 E N -0.255 119.910 120.200 -0.058 0.000 2.259 297 E HA 0.659 5.009 4.350 -0.000 0.000 0.281 297 E C 0.083 176.689 176.600 0.009 0.000 1.037 297 E CA -0.099 56.295 56.400 -0.010 0.000 0.854 297 E CB 1.532 31.241 29.700 0.016 0.000 1.051 297 E HN 0.465 nan 8.360 nan 0.000 0.409 298 I N 1.290 121.888 120.570 0.046 0.000 3.093 298 I HA 0.239 4.409 4.170 -0.000 0.000 0.308 298 I C -1.078 175.122 176.117 0.139 0.000 1.303 298 I CA -0.443 60.921 61.300 0.107 0.000 0.975 298 I CB 2.658 40.701 38.000 0.072 0.000 1.286 298 I HN 0.319 nan 8.210 nan 0.000 0.459 299 T N 4.925 119.590 114.554 0.186 0.000 2.794 299 T HA 0.512 4.862 4.350 -0.000 0.000 0.280 299 T C -0.486 174.299 174.700 0.142 0.000 0.987 299 T CA -0.339 61.838 62.100 0.128 0.000 0.993 299 T CB 1.104 70.024 68.868 0.087 0.000 0.939 299 T HN 0.516 nan 8.240 nan 0.000 0.449 304 K N 2.221 122.632 120.400 0.020 0.000 2.316 304 K HA 0.605 4.925 4.320 -0.000 0.000 0.267 304 K C -0.269 176.349 176.600 0.030 0.000 1.025 304 K CA -0.488 55.819 56.287 0.033 0.000 0.896 304 K CB 0.683 33.202 32.500 0.031 0.000 1.124 304 K HN 0.569 nan 8.250 nan 0.000 0.451 305 I N -1.536 119.058 120.570 0.040 0.000 3.002 305 I HA 0.590 4.760 4.170 -0.000 0.000 0.310 305 I C -0.795 175.336 176.117 0.023 0.000 1.087 305 I CA -1.406 59.912 61.300 0.031 0.000 1.017 305 I CB 1.935 39.959 38.000 0.039 0.000 1.226 305 I HN 0.076 nan 8.210 nan 0.000 0.443 306 V N 3.114 123.034 119.914 0.010 0.000 2.384 306 V HA 0.501 4.621 4.120 -0.000 0.000 0.287 306 V C -0.067 176.022 176.094 -0.009 0.000 1.020 306 V CA -0.494 61.803 62.300 -0.005 0.000 0.850 306 V CB 1.277 33.093 31.823 -0.011 0.000 0.987 306 V HN 0.652 nan 8.190 nan 0.000 0.436 307 R N 2.889 123.375 120.500 -0.024 0.000 2.265 307 R HA 0.330 4.670 4.340 -0.000 0.000 0.328 307 R C 0.085 176.357 176.300 -0.048 0.000 0.969 307 R CA -0.612 55.470 56.100 -0.029 0.000 0.832 307 R CB 1.303 31.582 30.300 -0.035 0.000 1.139 307 R HN 0.675 nan 8.270 nan 0.000 0.457 308 D N 1.770 122.148 120.400 -0.036 0.000 2.264 308 D HA -0.181 4.459 4.640 -0.000 0.000 0.208 308 D C 1.157 177.426 176.300 -0.052 0.000 0.966 308 D CA 1.272 55.248 54.000 -0.041 0.000 0.864 308 D CB 0.207 40.991 40.800 -0.026 0.000 0.933 308 D HN 0.657 nan 8.370 nan 0.000 0.499 309 D N 0.563 120.934 120.400 -0.049 0.000 2.317 309 D HA -0.109 4.531 4.640 -0.000 0.000 0.211 309 D C 2.002 178.243 176.300 -0.098 0.000 0.966 309 D CA 0.313 54.278 54.000 -0.058 0.000 0.876 309 D CB -0.116 40.661 40.800 -0.037 0.000 0.927 309 D HN 0.267 nan 8.370 nan 0.000 0.519 310 L N -0.177 120.975 121.223 -0.118 0.000 2.253 310 L HA 0.110 4.450 4.340 -0.000 0.000 0.205 310 L C 1.531 178.287 176.870 -0.190 0.000 1.078 310 L CA -0.147 54.591 54.840 -0.170 0.000 0.805 310 L CB -0.270 41.675 42.059 -0.191 0.000 0.963 310 L HN -0.178 nan 8.230 nan 0.000 0.459 311 K N 1.089 121.399 120.400 -0.149 0.000 2.511 311 K HA 0.067 4.387 4.320 -0.000 0.000 0.280 311 K C 1.004 177.500 176.600 -0.172 0.000 1.008 311 K CA 0.944 57.145 56.287 -0.143 0.000 1.050 311 K CB 0.227 32.670 32.500 -0.095 0.000 0.889 311 K HN 0.286 nan 8.250 nan 0.000 0.484 312 G N 3.466 112.150 108.800 -0.193 0.000 2.153 312 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.252 312 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.252 312 G C 0.074 174.744 174.900 -0.383 0.000 0.994 312 G CA 0.299 45.273 45.100 -0.208 0.000 0.698 312 G HN 0.621 nan 8.290 nan 0.000 0.521 313 R N -0.667 119.521 120.500 -0.521 0.000 4.680 313 R HA 0.665 5.005 4.340 -0.000 0.000 0.222 313 R C -0.280 175.476 176.300 -0.906 0.000 1.803 313 R CA -0.029 55.424 56.100 -1.079 0.000 1.560 313 R CB -0.023 29.837 30.300 -0.733 0.000 1.412 313 R HN 0.371 nan 8.270 nan 0.000 0.815 314 L N -0.389 120.474 121.223 -0.601 0.000 2.751 314 L HA 0.259 4.599 4.340 -0.000 0.000 0.261 314 L C -0.715 176.155 176.870 -0.000 0.000 0.927 314 L CA -0.003 54.736 54.840 -0.169 0.000 0.968 314 L CB 2.115 44.068 42.059 -0.177 0.000 1.432 314 L HN 0.121 nan 8.230 nan 0.000 0.439 315 D N 3.278 123.762 120.400 0.139 0.000 2.380 315 D HA 0.157 4.797 4.640 -0.000 0.000 0.212 315 D C -0.452 175.910 176.300 0.103 0.000 1.021 315 D CA 0.958 55.088 54.000 0.217 0.000 0.884 315 D CB 0.495 41.537 40.800 0.403 0.000 1.001 315 D HN 0.492 nan 8.370 nan 0.000 0.506 316 W N 0.159 121.354 121.300 -0.174 0.000 3.146 316 W HA 0.530 5.190 4.660 -0.000 0.000 0.319 316 W C -2.101 174.313 176.519 -0.176 0.000 1.258 316 W CA -0.929 56.156 57.345 -0.434 0.000 1.189 316 W CB 0.307 29.230 29.460 -0.896 0.000 1.412 316 W HN -0.406 nan 8.180 nan 0.000 0.567 317 I N 2.224 122.833 120.570 0.065 0.000 2.436 317 I HA 0.462 4.632 4.170 -0.000 0.000 0.289 317 I C 0.604 176.832 176.117 0.186 0.000 1.010 317 I CA -0.760 60.489 61.300 -0.086 0.000 1.098 317 I CB 2.011 39.779 38.000 -0.387 0.000 1.266 317 I HN 0.611 nan 8.210 nan 0.000 0.434 318 G N 5.822 114.700 108.800 0.130 0.000 2.327 318 G HA2 0.486 4.446 3.960 -0.000 0.000 0.302 318 G HA3 0.486 4.446 3.960 -0.000 0.000 0.302 318 G C -0.567 174.440 174.900 0.178 0.000 1.113 318 G CA -0.255 45.057 45.100 0.352 0.000 0.921 318 G HN 0.348 nan 8.290 nan 0.000 0.425 319 V N 4.011 124.037 119.914 0.186 0.000 2.348 319 V HA 0.193 4.313 4.120 -0.000 0.000 0.270 319 V C -0.406 175.800 176.094 0.187 0.000 1.037 319 V CA -1.041 61.365 62.300 0.176 0.000 0.872 319 V CB 0.897 32.833 31.823 0.188 0.000 1.002 319 V HN 0.611 nan 8.190 nan 0.000 0.464 320 N N 4.110 122.917 118.700 0.178 0.000 2.422 320 N HA 0.441 5.181 4.740 -0.000 0.000 0.266 320 N C -1.106 174.479 175.510 0.124 0.000 1.007 320 N CA -0.244 52.867 53.050 0.102 0.000 0.941 320 N CB 1.181 39.723 38.487 0.092 0.000 1.115 320 N HN 0.698 nan 8.380 nan 0.000 0.492 321 Y N 2.260 122.469 120.300 -0.151 0.000 2.386 321 Y HA 0.324 4.874 4.550 -0.000 0.000 0.334 321 Y C -0.819 174.902 175.900 -0.299 0.000 1.002 321 Y CA -0.598 57.450 58.100 -0.087 0.000 1.068 321 Y CB 0.773 39.266 38.460 0.054 0.000 1.203 321 Y HN 0.556 nan 8.280 nan 0.000 0.443 322 Y N 2.061 121.898 120.300 -0.771 0.000 2.652 322 Y HA 0.371 4.921 4.550 -0.000 0.000 0.275 322 Y C 1.024 176.638 175.900 -0.477 0.000 1.133 322 Y CA 0.655 58.521 58.100 -0.390 0.000 1.246 322 Y CB 1.206 39.579 38.460 -0.144 0.000 1.334 322 Y HN 0.608 nan 8.280 nan 0.000 0.493 323 T N -0.477 113.651 114.554 -0.710 0.000 2.658 323 T HA 0.408 4.758 4.350 -0.000 0.000 0.305 323 T C -1.631 172.993 174.700 -0.127 0.000 1.551 323 T CA -0.982 61.031 62.100 -0.144 0.000 0.985 323 T CB 0.943 69.838 68.868 0.046 0.000 1.731 323 T HN 0.201 nan 8.240 nan 0.000 0.486 324 R N 0.113 120.597 120.500 -0.026 0.000 2.700 324 R HA 0.855 5.195 4.340 -0.000 0.000 0.253 324 R C -0.972 175.125 176.300 -0.338 0.000 1.091 324 R CA -0.689 55.298 56.100 -0.188 0.000 1.104 324 R CB 0.820 30.825 30.300 -0.491 0.000 1.202 324 R HN 0.465 nan 8.270 nan 0.000 0.532 325 T N 0.791 115.086 114.554 -0.431 0.000 2.841 325 T HA 0.321 4.671 4.350 -0.000 0.000 0.285 325 T C -0.882 173.677 174.700 -0.235 0.000 0.991 325 T CA -0.683 61.205 62.100 -0.355 0.000 0.966 325 T CB 1.770 70.400 68.868 -0.396 0.000 0.962 325 T HN 0.329 nan 8.240 nan 0.000 0.438 326 V N 4.566 124.351 119.914 -0.216 0.000 2.439 326 V HA 0.623 4.743 4.120 -0.000 0.000 0.282 326 V C 0.234 176.266 176.094 -0.103 0.000 1.039 326 V CA -0.538 61.601 62.300 -0.268 0.000 0.913 326 V CB 1.256 32.681 31.823 -0.663 0.000 0.983 326 V HN 0.769 nan 8.190 nan 0.000 0.460 327 V N 2.921 122.806 119.914 -0.049 0.000 2.864 327 V HA 0.865 4.985 4.120 -0.000 0.000 0.314 327 V C -0.671 175.433 176.094 0.017 0.000 1.073 327 V CA -0.979 61.349 62.300 0.046 0.000 0.956 327 V CB 1.869 33.741 31.823 0.082 0.000 1.023 327 V HN 0.965 nan 8.190 nan 0.000 0.435 328 K N 1.740 122.180 120.400 0.066 0.000 2.443 328 K HA 0.673 4.993 4.320 -0.000 0.000 0.251 328 K C -0.713 175.938 176.600 0.084 0.000 0.972 328 K CA -1.100 55.215 56.287 0.048 0.000 0.833 328 K CB 2.278 34.796 32.500 0.029 0.000 1.317 328 K HN 0.553 nan 8.250 nan 0.000 0.441 329 R N 0.944 121.478 120.500 0.057 0.000 2.594 329 R HA 0.321 4.661 4.340 -0.000 0.000 0.272 329 R C -0.575 175.751 176.300 0.043 0.000 1.074 329 R CA 0.134 56.271 56.100 0.061 0.000 1.105 329 R CB 1.139 31.461 30.300 0.036 0.000 1.008 329 R HN 0.888 nan 8.270 nan 0.000 0.472 330 T N 1.109 115.684 114.554 0.035 0.000 2.864 330 T HA 0.314 4.664 4.350 -0.000 0.000 0.289 330 T C 1.310 176.013 174.700 0.005 0.000 1.082 330 T CA -0.042 62.064 62.100 0.009 0.000 1.009 330 T CB 1.468 70.326 68.868 -0.015 0.000 1.234 330 T HN 0.555 nan 8.240 nan 0.000 0.526 331 E N 0.608 120.805 120.200 -0.004 0.000 2.017 331 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 331 E C 2.380 178.972 176.600 -0.014 0.000 0.997 331 E CA 2.251 58.647 56.400 -0.007 0.000 0.804 331 E CB -1.496 nan 29.700 nan 0.000 0.757 331 E HN 0.725 nan 8.360 nan 0.000 0.448 332 K N -0.348 120.036 120.400 -0.027 0.000 2.147 332 K HA 0.289 4.609 4.320 -0.000 0.000 0.205 332 K C 1.981 178.553 176.600 -0.046 0.000 1.049 332 K CA 2.344 58.605 56.287 -0.043 0.000 0.936 332 K CB -0.483 nan 32.500 nan 0.000 0.722 332 K HN 1.265 nan 8.250 nan 0.000 0.446 333 G N -2.219 106.562 108.800 -0.031 0.000 2.033 333 G HA2 0.319 4.278 3.960 -0.000 0.000 0.088 333 G HA3 0.319 4.278 3.960 -0.000 0.000 0.088 333 G C -0.560 174.391 174.900 0.086 0.000 0.790 333 G CA 0.293 45.401 45.100 0.014 0.000 1.131 333 G HN 1.149 nan 8.290 nan 0.000 0.361 334 Y N -0.078 120.190 120.300 -0.053 0.000 2.597 334 Y HA 0.807 5.357 4.550 -0.000 0.000 0.340 334 Y C -0.662 175.213 175.900 -0.041 0.000 1.097 334 Y CA -1.081 56.991 58.100 -0.048 0.000 1.037 334 Y CB 1.798 40.220 38.460 -0.063 0.000 1.305 334 Y HN 1.175 nan 8.280 nan 0.000 0.463 335 V N -0.209 119.725 119.914 0.032 0.000 2.925 335 V HA 0.844 4.964 4.120 -0.000 0.000 0.311 335 V C -0.372 175.805 176.094 0.139 0.000 1.104 335 V CA -0.505 61.778 62.300 -0.029 0.000 0.954 335 V CB 1.207 33.008 31.823 -0.037 0.000 1.022 335 V HN 1.263 nan 8.190 nan 0.000 0.427 336 S N 3.875 119.648 115.700 0.122 0.000 2.610 336 S HA 0.787 5.257 4.470 -0.000 0.000 0.273 336 S C -0.451 174.194 174.600 0.075 0.000 1.274 336 S CA -0.725 57.550 58.200 0.125 0.000 1.023 336 S CB 1.077 64.361 63.200 0.139 0.000 0.962 336 S HN 0.814 nan 8.310 nan 0.000 0.523 337 L N 2.261 123.528 121.223 0.074 0.000 2.307 337 L HA 0.576 4.916 4.340 -0.000 0.000 0.284 337 L C 1.112 178.075 176.870 0.154 0.000 1.023 337 L CA -0.814 54.102 54.840 0.127 0.000 0.810 337 L CB 1.263 43.431 42.059 0.181 0.000 1.231 337 L HN 0.990 nan 8.230 nan 0.000 0.423 338 G N 0.553 109.420 108.800 0.111 0.000 2.594 338 G HA2 0.391 4.351 3.960 -0.000 0.000 0.243 338 G HA3 0.391 4.351 3.960 -0.000 0.000 0.243 338 G C 0.896 175.821 174.900 0.041 0.000 1.229 338 G CA 0.444 45.587 45.100 0.073 0.000 0.843 338 G HN 1.029 nan 8.290 nan 0.000 0.578 339 G N -0.875 107.909 108.800 -0.027 0.000 2.176 339 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.253 339 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.253 339 G C 0.043 174.700 174.900 -0.405 0.000 0.979 339 G CA 0.898 45.882 45.100 -0.195 0.000 0.641 339 G HN 0.849 nan 8.290 nan 0.000 0.530 340 Y N -0.937 119.351 120.300 -0.020 0.000 2.605 340 Y HA 0.594 5.144 4.550 -0.000 0.000 0.343 340 Y C 1.306 177.148 175.900 -0.096 0.000 1.036 340 Y CA 0.105 58.176 58.100 -0.048 0.000 1.065 340 Y CB 1.247 39.651 38.460 -0.093 0.000 1.288 340 Y HN 1.127 nan 8.280 nan 0.000 0.481 341 G N 1.019 109.866 108.800 0.078 0.000 2.591 341 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.298 341 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.298 341 G C 0.761 175.640 174.900 -0.035 0.000 1.195 341 G CA 0.718 45.775 45.100 -0.072 0.000 0.989 341 G HN 1.172 nan 8.290 nan 0.000 0.551 342 H N 1.338 120.333 119.070 -0.125 0.000 2.539 342 H HA 0.350 4.906 4.556 -0.000 0.000 0.267 342 H C 1.695 177.063 175.328 0.067 0.000 0.982 342 H CA 0.857 56.781 56.048 -0.206 0.000 1.146 342 H CB 0.001 29.331 29.762 -0.721 0.000 1.382 342 H HN 0.854 nan 8.280 nan 0.000 0.577 343 G N 1.359 110.205 108.800 0.075 0.000 3.949 343 G HA2 0.302 4.262 3.960 -0.000 0.000 0.295 343 G HA3 0.302 4.262 3.960 -0.000 0.000 0.295 343 G C -0.352 174.620 174.900 0.121 0.000 1.286 343 G CA -0.244 44.940 45.100 0.140 0.000 1.171 343 G HN 0.304 nan 8.290 nan 0.000 0.586 344 C N -0.263 119.139 119.300 0.171 0.000 2.354 344 C HA 0.516 4.976 4.460 -0.000 0.000 0.381 344 C C 0.616 175.692 174.990 0.144 0.000 1.240 344 C CA -0.988 58.106 59.018 0.126 0.000 2.089 344 C CB 1.565 29.386 27.740 0.134 0.000 2.234 344 C HN 0.529 nan 8.230 nan 0.000 0.544 345 E N 0.482 120.744 120.200 0.103 0.000 2.383 345 E HA 0.167 4.517 4.350 -0.000 0.000 0.264 345 E C -0.270 176.400 176.600 0.116 0.000 1.050 345 E CA 0.069 56.529 56.400 0.101 0.000 0.896 345 E CB 0.515 30.259 29.700 0.072 0.000 0.982 345 E HN 0.410 nan 8.360 nan 0.000 0.424 346 R N 1.750 122.313 120.500 0.105 0.000 2.590 346 R HA 0.039 4.379 4.340 -0.000 0.000 0.274 346 R C -0.183 176.165 176.300 0.079 0.000 1.061 346 R CA 0.011 56.165 56.100 0.089 0.000 1.081 346 R CB -0.018 30.315 30.300 0.055 0.000 0.984 346 R HN 0.595 nan 8.270 nan 0.000 0.448 347 N N 0.107 118.856 118.700 0.082 0.000 2.667 347 N HA -0.250 4.490 4.740 -0.000 0.000 0.263 347 N C -0.849 174.720 175.510 0.099 0.000 1.038 347 N CA 1.010 54.115 53.050 0.091 0.000 0.749 347 N CB -0.440 38.093 38.487 0.076 0.000 0.892 347 N HN 0.572 nan 8.380 nan 0.000 0.546 348 S N -1.390 114.374 115.700 0.106 0.000 3.576 348 S HA 0.773 5.243 4.470 -0.000 0.000 0.321 348 S C -1.535 173.112 174.600 0.079 0.000 1.174 348 S CA -0.377 57.883 58.200 0.100 0.000 1.102 348 S CB 1.487 64.739 63.200 0.087 0.000 1.467 348 S HN 0.057 nan 8.310 nan 0.000 0.701 349 V N 2.101 122.045 119.914 0.051 0.000 2.841 349 V HA 0.635 4.755 4.120 -0.000 0.000 0.310 349 V C 0.025 176.127 176.094 0.014 0.000 1.090 349 V CA -0.251 62.060 62.300 0.019 0.000 0.930 349 V CB 2.017 33.802 31.823 -0.063 0.000 1.014 349 V HN 1.055 nan 8.190 nan 0.000 0.425 350 S N 4.282 119.995 115.700 0.022 0.000 2.634 350 S HA 0.374 4.844 4.470 -0.000 0.000 0.261 350 S C 1.128 175.647 174.600 -0.135 0.000 1.271 350 S CA -0.420 57.750 58.200 -0.049 0.000 0.985 350 S CB 0.466 63.670 63.200 0.006 0.000 0.968 350 S HN 0.576 nan 8.310 nan 0.000 0.568 351 L N 0.205 121.218 121.223 -0.352 0.000 2.261 351 L HA -0.068 4.272 4.340 -0.000 0.000 0.216 351 L C 2.503 179.292 176.870 -0.135 0.000 1.114 351 L CA 1.296 55.925 54.840 -0.351 0.000 0.777 351 L CB -0.796 40.857 42.059 -0.677 0.000 0.910 351 L HN 0.911 nan 8.230 nan 0.000 0.440 352 A N -0.624 122.184 122.820 -0.020 0.000 2.307 352 A HA 0.361 4.680 4.320 -0.000 0.000 0.218 352 A C 1.692 179.330 177.584 0.090 0.000 1.228 352 A CA 0.572 52.697 52.037 0.146 0.000 0.857 352 A CB -0.324 18.853 19.000 0.295 0.000 0.897 352 A HN 0.477 nan 8.150 nan 0.000 0.495 353 G N -1.022 107.796 108.800 0.030 0.000 2.148 353 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.254 353 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.254 353 G C 0.037 174.951 174.900 0.024 0.000 0.981 353 G CA 0.478 45.580 45.100 0.004 0.000 0.670 353 G HN 0.461 nan 8.290 nan 0.000 0.528 354 L N 1.873 123.150 121.223 0.090 0.000 2.334 354 L HA 0.475 4.815 4.340 -0.000 0.000 0.277 354 L C -1.447 175.500 176.870 0.128 0.000 1.075 354 L CA -2.384 52.539 54.840 0.139 0.000 0.804 354 L CB 1.309 43.539 42.059 0.284 0.000 1.174 354 L HN -0.070 nan 8.230 nan 0.000 0.438 355 P HA 0.094 nan 4.420 nan 0.000 0.271 355 P C -0.711 176.725 177.300 0.228 0.000 1.218 355 P CA -0.273 62.887 63.100 0.100 0.000 0.780 355 P CB 0.896 32.600 31.700 0.007 0.000 0.901 356 T N -1.242 113.431 114.554 0.198 0.000 2.950 356 T HA 0.558 4.908 4.350 -0.000 0.000 0.288 356 T C 0.495 175.325 174.700 0.215 0.000 1.035 356 T CA -0.619 61.629 62.100 0.247 0.000 1.028 356 T CB 0.859 69.853 68.868 0.211 0.000 1.109 356 T HN 0.464 nan 8.240 nan 0.000 0.514 357 S N 0.513 116.340 115.700 0.213 0.000 2.671 357 S HA 0.290 4.760 4.470 -0.000 0.000 0.272 357 S C 0.455 175.063 174.600 0.015 0.000 1.174 357 S CA -0.530 57.731 58.200 0.103 0.000 1.004 357 S CB 0.141 63.366 63.200 0.042 0.000 1.077 357 S HN 0.665 nan 8.310 nan 0.000 0.553 358 D N -0.292 120.053 120.400 -0.091 0.000 2.311 358 D HA 0.006 4.646 4.640 -0.000 0.000 0.212 358 D C 0.746 176.944 176.300 -0.170 0.000 0.972 358 D CA 0.920 54.835 54.000 -0.141 0.000 0.887 358 D CB -0.304 40.354 40.800 -0.236 0.000 0.915 358 D HN 0.482 nan 8.370 nan 0.000 0.497 359 F N -0.295 119.418 119.950 -0.395 0.000 2.721 359 F HA 0.306 4.833 4.527 -0.000 0.000 0.301 359 F C 1.621 177.232 175.800 -0.315 0.000 1.096 359 F CA 0.133 57.803 58.000 -0.550 0.000 1.308 359 F CB 0.450 38.637 39.000 -1.354 0.000 1.086 359 F HN 0.031 nan 8.300 nan 0.000 0.587 360 G N -0.267 108.599 108.800 0.110 0.000 2.149 360 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.235 360 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.235 360 G C -0.391 174.792 174.900 0.472 0.000 1.018 360 G CA -0.234 45.021 45.100 0.258 0.000 0.728 360 G HN 0.103 nan 8.290 nan 0.000 0.508 361 W N 0.912 122.330 121.300 0.198 0.000 2.433 361 W HA 0.651 5.311 4.660 -0.000 0.000 0.315 361 W C 0.472 177.139 176.519 0.247 0.000 1.087 361 W CA -2.100 55.360 57.345 0.191 0.000 1.205 361 W CB 0.717 30.282 29.460 0.175 0.000 1.288 361 W HN 0.308 nan 8.180 nan 0.000 0.504 362 E N 2.296 122.763 120.200 0.444 0.000 2.354 362 E HA 0.093 4.443 4.350 -0.000 0.000 0.269 362 E C -0.976 175.948 176.600 0.539 0.000 1.036 362 E CA -0.575 56.072 56.400 0.411 0.000 0.876 362 E CB 0.625 30.502 29.700 0.294 0.000 1.009 362 E HN 0.271 nan 8.360 nan 0.000 0.416 363 F N 5.692 125.894 119.950 0.419 0.000 2.466 363 F HA 0.220 4.747 4.527 -0.000 0.000 0.363 363 F C -0.915 175.168 175.800 0.472 0.000 1.109 363 F CA 0.010 58.291 58.000 0.468 0.000 1.161 363 F CB 0.123 39.333 39.000 0.350 0.000 1.117 363 F HN 0.425 nan 8.300 nan 0.000 0.539 364 F N 9.677 129.677 119.950 0.084 0.000 2.824 364 F HA 0.358 4.885 4.527 -0.000 0.000 0.368 364 F C -2.135 173.672 175.800 0.011 0.000 1.398 364 F CA -1.745 56.325 58.000 0.117 0.000 1.142 364 F CB 0.505 39.630 39.000 0.208 0.000 1.997 364 F HN 0.222 nan 8.300 nan 0.000 0.598 365 P HA -0.174 nan 4.420 nan 0.000 0.223 365 P C 1.402 178.372 177.300 -0.549 0.000 1.151 365 P CA 1.179 63.750 63.100 -0.882 0.000 0.787 365 P CB 0.312 31.329 31.700 -1.139 0.000 0.788 366 E N 1.074 120.888 120.200 -0.642 0.000 2.160 366 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 366 E C 2.188 178.639 176.600 -0.247 0.000 0.991 366 E CA 1.818 57.932 56.400 -0.475 0.000 0.810 366 E CB -1.529 27.790 29.700 -0.636 0.000 0.742 366 E HN 0.179 nan 8.360 nan 0.000 0.466 367 G N 0.623 109.336 108.800 -0.145 0.000 2.462 367 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 367 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 367 G C 1.446 176.061 174.900 -0.475 0.000 1.121 367 G CA 0.936 46.077 45.100 0.068 0.000 0.758 367 G HN 0.364 nan 8.290 nan 0.000 0.559 368 L N -0.481 120.265 121.223 -0.797 0.000 2.056 368 L HA 0.049 4.389 4.340 -0.000 0.000 0.207 368 L C 2.448 179.187 176.870 -0.219 0.000 1.078 368 L CA 1.592 56.033 54.840 -0.665 0.000 0.749 368 L CB -0.892 40.966 42.059 -0.335 0.000 0.901 368 L HN 0.358 nan 8.230 nan 0.000 0.433 369 Y N 0.397 120.556 120.300 -0.233 0.000 2.128 369 Y HA -0.309 4.241 4.550 -0.000 0.000 0.284 369 Y C 2.443 178.292 175.900 -0.085 0.000 1.154 369 Y CA 2.184 60.196 58.100 -0.146 0.000 1.149 369 Y CB -0.492 37.868 38.460 -0.165 0.000 0.976 369 Y HN 0.465 nan 8.280 nan 0.000 0.505 370 D N -0.435 119.948 120.400 -0.027 0.000 2.106 370 D HA -0.208 4.432 4.640 -0.000 0.000 0.191 370 D C 2.100 178.341 176.300 -0.099 0.000 0.997 370 D CA 2.132 56.107 54.000 -0.041 0.000 0.834 370 D CB -0.402 40.442 40.800 0.073 0.000 0.956 370 D HN 0.267 nan 8.370 nan 0.000 0.448 371 V N 0.192 120.053 119.914 -0.088 0.000 2.323 371 V HA -0.164 3.956 4.120 -0.000 0.000 0.244 371 V C 2.694 178.829 176.094 0.069 0.000 1.041 371 V CA 1.224 63.508 62.300 -0.025 0.000 1.025 371 V CB -0.475 31.373 31.823 0.041 0.000 0.656 371 V HN 0.290 nan 8.190 nan 0.000 0.451 372 L N 0.531 121.769 121.223 0.026 0.000 2.046 372 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 372 L C 2.818 179.717 176.870 0.048 0.000 1.077 372 L CA 2.238 57.126 54.840 0.079 0.000 0.747 372 L CB -1.042 41.015 42.059 -0.003 0.000 0.896 372 L HN 0.598 nan 8.230 nan 0.000 0.432 373 T N -3.245 111.215 114.554 -0.156 0.000 2.857 373 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 373 T C 1.894 176.589 174.700 -0.008 0.000 1.048 373 T CA 0.860 62.876 62.100 -0.140 0.000 1.139 373 T CB -0.120 68.490 68.868 -0.430 0.000 0.874 373 T HN 0.056 nan 8.240 nan 0.000 0.455 374 K N 0.150 120.543 120.400 -0.013 0.000 2.032 374 K HA -0.040 4.280 4.320 -0.000 0.000 0.209 374 K C 2.050 178.703 176.600 0.089 0.000 1.048 374 K CA 1.523 57.842 56.287 0.053 0.000 0.927 374 K CB -0.570 31.995 32.500 0.108 0.000 0.712 374 K HN 0.370 nan 8.250 nan 0.000 0.441 375 Y N -0.367 120.031 120.300 0.163 0.000 2.128 375 Y HA -0.279 4.271 4.550 -0.000 0.000 0.284 375 Y C 2.175 178.050 175.900 -0.042 0.000 1.154 375 Y CA 1.437 59.605 58.100 0.114 0.000 1.149 375 Y CB -0.539 37.990 38.460 0.114 0.000 0.976 375 Y HN 0.309 nan 8.280 nan 0.000 0.505 376 W N 1.185 122.479 121.300 -0.011 0.000 2.335 376 W HA -0.275 4.385 4.660 -0.000 0.000 0.311 376 W C 1.377 177.574 176.519 -0.535 0.000 1.213 376 W CA 1.909 59.138 57.345 -0.194 0.000 1.274 376 W CB -0.364 29.008 29.460 -0.147 0.000 1.148 376 W HN 0.128 nan 8.180 nan 0.000 0.498 377 N N 0.460 118.911 118.700 -0.415 0.000 2.309 377 N HA -0.147 4.593 4.740 -0.000 0.000 0.182 377 N C 1.787 176.946 175.510 -0.585 0.000 1.018 377 N CA 1.325 54.055 53.050 -0.533 0.000 0.876 377 N CB -0.615 37.753 38.487 -0.199 0.000 0.972 377 N HN 0.303 nan 8.380 nan 0.000 0.434 378 R N -0.819 119.280 120.500 -0.668 0.000 2.080 378 R HA 0.012 4.352 4.340 -0.000 0.000 0.222 378 R C 0.802 176.688 176.300 -0.690 0.000 1.107 378 R CA 1.168 56.731 56.100 -0.895 0.000 0.980 378 R CB 0.133 29.449 30.300 -1.640 0.000 0.879 378 R HN 0.168 nan 8.270 nan 0.000 0.439 379 Y N -2.096 118.015 120.300 -0.315 0.000 2.423 379 Y HA 0.242 4.792 4.550 -0.000 0.000 0.257 379 Y C -0.246 175.536 175.900 -0.197 0.000 1.087 379 Y CA -0.375 57.619 58.100 -0.177 0.000 1.258 379 Y CB 0.206 38.610 38.460 -0.092 0.000 1.237 379 Y HN 0.117 nan 8.280 nan 0.000 0.517 380 H N -0.384 118.428 119.070 -0.431 0.000 2.741 380 H HA -0.166 4.390 4.556 -0.000 0.000 0.305 380 H C -0.685 174.448 175.328 -0.324 0.000 1.169 380 H CA 0.530 56.040 56.048 -0.897 0.000 1.144 380 H CB -2.093 27.179 29.762 -0.817 0.000 1.397 380 H HN 0.193 nan 8.280 nan 0.000 0.409 381 L N 0.991 122.254 121.223 0.067 0.000 2.307 381 L HA 0.302 4.642 4.340 -0.000 0.000 0.282 381 L C 0.923 178.059 176.870 0.444 0.000 1.051 381 L CA -1.361 53.620 54.840 0.234 0.000 0.804 381 L CB 0.592 42.711 42.059 0.100 0.000 1.197 381 L HN 0.246 nan 8.230 nan 0.000 0.431 382 Y N 2.200 122.746 120.300 0.409 0.000 2.550 382 Y HA 0.444 4.994 4.550 -0.000 0.000 0.343 382 Y C -0.030 175.997 175.900 0.211 0.000 1.245 382 Y CA -1.018 57.252 58.100 0.285 0.000 1.462 382 Y CB 0.416 38.948 38.460 0.120 0.000 1.340 382 Y HN 0.518 nan 8.280 nan 0.000 0.604 383 M N 2.293 122.005 119.600 0.187 0.000 2.658 383 M HA 0.597 5.077 4.480 -0.000 0.000 0.295 383 M C -2.242 174.047 176.300 -0.018 0.000 1.248 383 M CA -1.033 54.342 55.300 0.125 0.000 0.843 383 M CB 2.345 35.011 32.600 0.110 0.000 1.749 383 M HN 0.728 nan 8.290 nan 0.000 0.464 384 Y N -0.248 120.149 120.300 0.161 0.000 2.485 384 Y HA 0.559 5.109 4.550 -0.000 0.000 0.345 384 Y C -0.358 175.612 175.900 0.118 0.000 0.998 384 Y CA -0.866 57.267 58.100 0.054 0.000 1.059 384 Y CB 2.379 40.800 38.460 -0.066 0.000 1.234 384 Y HN 0.474 nan 8.280 nan 0.000 0.461 385 V N 2.895 122.969 119.914 0.267 0.000 2.356 385 V HA 0.054 4.174 4.120 -0.000 0.000 0.258 385 V C 0.631 176.804 176.094 0.131 0.000 1.065 385 V CA 0.326 62.754 62.300 0.212 0.000 0.935 385 V CB 0.221 32.204 31.823 0.266 0.000 1.061 385 V HN 1.064 nan 8.190 nan 0.000 0.484 386 T N 1.311 115.960 114.554 0.158 0.000 3.057 386 T HA 0.239 4.589 4.350 -0.000 0.000 0.254 386 T C 0.429 175.192 174.700 0.105 0.000 1.094 386 T CA 0.161 62.343 62.100 0.137 0.000 1.088 386 T CB 0.342 69.338 68.868 0.213 0.000 0.934 386 T HN 0.633 nan 8.240 nan 0.000 0.497 387 E N 0.950 121.178 120.200 0.046 0.000 2.343 387 E HA 0.497 4.847 4.350 -0.000 0.000 0.278 387 E C -1.418 175.043 176.600 -0.231 0.000 0.910 387 E CA -0.803 55.596 56.400 -0.002 0.000 0.757 387 E CB 1.938 31.664 29.700 0.043 0.000 1.218 387 E HN 0.196 nan 8.360 nan 0.000 0.435 388 N N 1.642 120.179 118.700 -0.271 0.000 2.666 388 N HA 0.461 5.201 4.740 -0.000 0.000 0.260 388 N C -1.367 174.074 175.510 -0.116 0.000 1.077 388 N CA -0.142 52.737 53.050 -0.285 0.000 1.026 388 N CB 1.998 40.532 38.487 0.079 0.000 1.653 388 N HN 0.684 nan 8.380 nan 0.000 0.533 389 G N 1.711 110.561 108.800 0.082 0.000 2.340 389 G HA2 0.461 4.421 3.960 -0.000 0.000 0.299 389 G HA3 0.461 4.421 3.960 -0.000 0.000 0.299 389 G C -2.051 172.949 174.900 0.168 0.000 1.291 389 G CA -0.584 44.583 45.100 0.110 0.000 0.841 389 G HN 0.562 nan 8.290 nan 0.000 0.500 390 I N -0.318 120.324 120.570 0.120 0.000 2.752 390 I HA 0.663 4.833 4.170 -0.000 0.000 0.295 390 I C -0.161 175.599 176.117 -0.594 0.000 1.219 390 I CA -1.136 60.022 61.300 -0.237 0.000 1.030 390 I CB 2.017 39.703 38.000 -0.524 0.000 1.259 390 I HN 1.025 nan 8.210 nan 0.000 0.423 391 A N 4.514 126.703 122.820 -1.052 0.000 2.395 391 A HA 0.489 4.809 4.320 -0.000 0.000 0.286 391 A C -0.632 176.658 177.584 -0.490 0.000 1.193 391 A CA 0.237 51.570 52.037 -1.174 0.000 0.852 391 A CB -0.124 18.202 19.000 -1.123 0.000 1.118 391 A HN 0.611 nan 8.150 nan 0.000 0.524 392 D N 2.222 122.417 120.400 -0.342 0.000 2.634 392 D HA 0.067 4.707 4.640 -0.000 0.000 0.236 392 D C 0.170 176.371 176.300 -0.166 0.000 1.323 392 D CA -0.343 53.548 54.000 -0.183 0.000 0.884 392 D CB 0.571 41.321 40.800 -0.084 0.000 1.496 392 D HN 0.401 nan 8.370 nan 0.000 0.525 393 D N 1.735 122.031 120.400 -0.174 0.000 2.144 393 D HA -0.085 4.555 4.640 -0.000 0.000 0.199 393 D C 1.742 177.919 176.300 -0.205 0.000 0.984 393 D CA 1.443 55.352 54.000 -0.152 0.000 0.834 393 D CB 0.311 41.034 40.800 -0.128 0.000 0.955 393 D HN 0.413 nan 8.370 nan 0.000 0.465 394 A N -0.200 122.420 122.820 -0.332 0.000 2.119 394 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 394 A C 1.030 178.317 177.584 -0.495 0.000 1.153 394 A CA 1.304 52.986 52.037 -0.592 0.000 0.692 394 A CB -0.164 18.039 19.000 -1.328 0.000 0.799 394 A HN 0.266 nan 8.150 nan 0.000 0.458 395 D N -4.151 116.089 120.400 -0.267 0.000 3.041 395 D HA -0.209 4.431 4.640 -0.000 0.000 0.220 395 D C 0.268 176.613 176.300 0.075 0.000 1.157 395 D CA 1.052 55.013 54.000 -0.065 0.000 0.876 395 D CB -1.642 39.147 40.800 -0.018 0.000 1.107 395 D HN 0.500 nan 8.370 nan 0.000 0.422 396 Y N -0.009 120.354 120.300 0.104 0.000 2.163 396 Y HA -0.052 4.498 4.550 -0.000 0.000 0.288 396 Y C 2.606 178.649 175.900 0.238 0.000 1.136 396 Y CA 1.662 59.848 58.100 0.143 0.000 1.147 396 Y CB -0.480 38.042 38.460 0.104 0.000 0.987 396 Y HN 0.323 nan 8.280 nan 0.000 0.509 397 Q N -1.005 119.035 119.800 0.401 0.000 2.373 397 Q HA 0.017 4.357 4.340 -0.000 0.000 0.210 397 Q C 2.285 178.598 176.000 0.522 0.000 0.913 397 Q CA -0.005 56.069 55.803 0.450 0.000 0.911 397 Q CB 0.081 29.045 28.738 0.376 0.000 1.040 397 Q HN 0.339 nan 8.270 nan 0.000 0.521 398 R N 1.160 121.875 120.500 0.358 0.000 2.103 398 R HA -0.150 4.189 4.340 -0.000 0.000 0.242 398 R C -0.873 175.619 176.300 0.319 0.000 1.142 398 R CA 1.596 57.898 56.100 0.337 0.000 0.960 398 R CB -0.761 29.657 30.300 0.197 0.000 0.858 398 R HN 0.129 nan 8.270 nan 0.000 0.439 399 P HA -0.172 nan 4.420 nan 0.000 0.216 399 P C 0.482 177.808 177.300 0.043 0.000 1.153 399 P CA 1.500 64.622 63.100 0.037 0.000 0.858 399 P CB -0.120 31.511 31.700 -0.114 0.000 0.789 400 Y N -2.974 117.471 120.300 0.240 0.000 2.220 400 Y HA -0.176 4.374 4.550 -0.000 0.000 0.291 400 Y C 2.584 178.794 175.900 0.517 0.000 1.129 400 Y CA 1.196 59.468 58.100 0.287 0.000 1.161 400 Y CB -1.366 37.222 38.460 0.213 0.000 0.997 400 Y HN -0.071 nan 8.280 nan 0.000 0.522 401 Y N 0.193 120.923 120.300 0.715 0.000 2.145 401 Y HA -0.272 4.278 4.550 -0.000 0.000 0.286 401 Y C 2.378 178.575 175.900 0.496 0.000 1.145 401 Y CA 1.365 59.852 58.100 0.645 0.000 1.148 401 Y CB -0.677 38.119 38.460 0.559 0.000 0.981 401 Y HN 0.142 nan 8.280 nan 0.000 0.507 402 L N -0.567 120.982 121.223 0.544 0.000 1.970 402 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 402 L C 2.297 179.277 176.870 0.184 0.000 1.071 402 L CA 1.941 56.966 54.840 0.308 0.000 0.751 402 L CB -1.183 40.901 42.059 0.043 0.000 0.889 402 L HN 0.129 nan 8.230 nan 0.000 0.432 403 V N -0.648 119.352 119.914 0.144 0.000 2.343 403 V HA -0.274 3.845 4.120 -0.000 0.000 0.247 403 V C 2.581 178.744 176.094 0.114 0.000 1.051 403 V CA 1.898 64.252 62.300 0.090 0.000 1.036 403 V CB -0.789 31.047 31.823 0.021 0.000 0.654 403 V HN 0.539 nan 8.190 nan 0.000 0.451 404 S N -0.971 114.819 115.700 0.150 0.000 2.368 404 S HA -0.224 4.246 4.470 -0.000 0.000 0.225 404 S C 1.863 176.445 174.600 -0.029 0.000 1.030 404 S CA 1.754 59.992 58.200 0.063 0.000 0.999 404 S CB -0.393 62.845 63.200 0.063 0.000 0.844 404 S HN 0.730 nan 8.310 nan 0.000 0.459 405 H N 0.292 119.349 119.070 -0.020 0.000 2.395 405 H HA 0.093 4.649 4.556 -0.000 0.000 0.299 405 H C 2.078 177.427 175.328 0.036 0.000 1.070 405 H CA 1.129 57.180 56.048 0.004 0.000 1.356 405 H CB -0.316 29.488 29.762 0.071 0.000 1.401 405 H HN 0.121 nan 8.280 nan 0.000 0.524 406 V N 0.487 120.440 119.914 0.064 0.000 2.343 406 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 406 V C 2.053 178.280 176.094 0.222 0.000 1.051 406 V CA 1.967 64.275 62.300 0.014 0.000 1.036 406 V CB -0.652 31.160 31.823 -0.019 0.000 0.654 406 V HN 0.494 nan 8.190 nan 0.000 0.451 407 Y N 1.278 121.579 120.300 0.001 0.000 2.128 407 Y HA -0.278 4.272 4.550 -0.000 0.000 0.284 407 Y C 2.619 178.448 175.900 -0.119 0.000 1.154 407 Y CA 1.919 59.913 58.100 -0.176 0.000 1.149 407 Y CB -0.290 37.954 38.460 -0.360 0.000 0.976 407 Y HN 0.240 nan 8.280 nan 0.000 0.505 408 Q N -0.261 119.394 119.800 -0.242 0.000 2.226 408 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 408 Q C 2.475 178.418 176.000 -0.095 0.000 0.975 408 Q CA 1.498 57.136 55.803 -0.276 0.000 0.866 408 Q CB -0.572 28.087 28.738 -0.130 0.000 0.915 408 Q HN 0.518 nan 8.270 nan 0.000 0.440 409 V N 0.569 120.508 119.914 0.042 0.000 2.453 409 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 409 V C 2.387 178.495 176.094 0.024 0.000 1.048 409 V CA 1.558 63.944 62.300 0.143 0.000 1.049 409 V CB -0.734 31.296 31.823 0.344 0.000 0.672 409 V HN 0.455 nan 8.190 nan 0.000 0.457 410 H N 0.687 119.639 119.070 -0.197 0.000 2.352 410 H HA -0.130 4.426 4.556 -0.000 0.000 0.299 410 H C 2.571 177.638 175.328 -0.436 0.000 1.097 410 H CA 1.786 57.486 56.048 -0.581 0.000 1.311 410 H CB 0.086 29.382 29.762 -0.777 0.000 1.377 410 H HN 0.243 nan 8.280 nan 0.000 0.504 411 R N 0.186 120.470 120.500 -0.360 0.000 2.083 411 R HA -0.107 4.233 4.340 -0.000 0.000 0.237 411 R C 2.536 178.830 176.300 -0.010 0.000 1.137 411 R CA 1.124 57.053 56.100 -0.284 0.000 0.951 411 R CB -0.553 29.457 30.300 -0.484 0.000 0.851 411 R HN 0.375 nan 8.270 nan 0.000 0.434 412 A N 1.170 124.036 122.820 0.077 0.000 1.883 412 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 412 A C 2.224 179.711 177.584 -0.161 0.000 1.186 412 A CA 1.385 53.404 52.037 -0.029 0.000 0.624 412 A CB -0.551 18.389 19.000 -0.100 0.000 0.822 412 A HN 0.233 nan 8.150 nan 0.000 0.444 413 I N -0.332 120.106 120.570 -0.219 0.000 2.142 413 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 413 I C 2.482 178.428 176.117 -0.285 0.000 1.078 413 I CA 1.443 62.571 61.300 -0.287 0.000 1.343 413 I CB -0.530 37.272 38.000 -0.330 0.000 1.046 413 I HN 0.441 nan 8.210 nan 0.000 0.405 414 N N 0.668 119.173 118.700 -0.326 0.000 2.132 414 N HA -0.194 4.546 4.740 -0.000 0.000 0.191 414 N C 1.631 177.068 175.510 -0.123 0.000 1.015 414 N CA 1.839 54.744 53.050 -0.242 0.000 0.864 414 N CB 0.019 38.361 38.487 -0.242 0.000 1.006 414 N HN 0.256 nan 8.380 nan 0.000 0.430 415 S N -0.920 114.736 115.700 -0.073 0.000 2.603 415 S HA 0.198 4.668 4.470 -0.000 0.000 0.220 415 S C 1.268 175.837 174.600 -0.053 0.000 0.967 415 S CA 0.584 58.778 58.200 -0.010 0.000 0.920 415 S CB 0.505 63.761 63.200 0.094 0.000 0.773 415 S HN 0.662 nan 8.310 nan 0.000 0.529 416 G N 0.811 109.521 108.800 -0.150 0.000 2.201 416 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.212 416 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.212 416 G C 0.150 174.689 174.900 -0.601 0.000 0.994 416 G CA -0.310 44.676 45.100 -0.190 0.000 0.644 416 G HN 0.784 nan 8.290 nan 0.000 0.508 417 A N 0.482 122.853 122.820 -0.749 0.000 2.450 417 A HA 0.516 4.836 4.320 -0.000 0.000 0.255 417 A C 0.110 177.088 177.584 -1.010 0.000 1.096 417 A CA 0.395 51.660 52.037 -1.287 0.000 0.778 417 A CB 0.428 19.075 19.000 -0.589 0.000 1.031 417 A HN 0.262 nan 8.150 nan 0.000 0.494 418 D N 2.461 122.026 120.400 -1.392 0.000 2.402 418 D HA 0.382 5.022 4.640 -0.000 0.000 0.235 418 D C -0.849 175.312 176.300 -0.231 0.000 1.226 418 D CA 0.359 53.991 54.000 -0.613 0.000 0.918 418 D CB 0.291 40.840 40.800 -0.417 0.000 1.043 418 D HN 0.122 nan 8.370 nan 0.000 0.506 419 V N 5.689 125.521 119.914 -0.136 0.000 2.531 419 V HA 0.399 4.519 4.120 -0.000 0.000 0.301 419 V C 1.016 177.124 176.094 0.023 0.000 1.034 419 V CA -0.743 61.549 62.300 -0.013 0.000 0.865 419 V CB 1.930 33.823 31.823 0.117 0.000 0.995 419 V HN 0.427 nan 8.190 nan 0.000 0.424 420 R N 2.604 122.892 120.500 -0.354 0.000 2.437 420 R HA 0.524 4.864 4.340 -0.000 0.000 0.257 420 R C 0.611 176.297 176.300 -1.022 0.000 0.927 420 R CA 0.313 56.057 56.100 -0.593 0.000 1.078 420 R CB 1.554 31.386 30.300 -0.779 0.000 1.161 420 R HN 0.790 nan 8.270 nan 0.000 0.529 421 G N 0.431 108.641 108.800 -0.984 0.000 2.576 421 G HA2 0.333 4.293 3.960 -0.000 0.000 0.290 421 G HA3 0.333 4.293 3.960 -0.000 0.000 0.290 421 G C -2.380 172.319 174.900 -0.335 0.000 1.442 421 G CA -0.576 43.865 45.100 -1.098 0.000 0.792 421 G HN 0.077 nan 8.290 nan 0.000 0.491 422 Y N 0.233 120.331 120.300 -0.336 0.000 2.354 422 Y HA 0.734 5.284 4.550 -0.000 0.000 0.330 422 Y C -1.689 174.357 175.900 0.243 0.000 1.011 422 Y CA -1.094 57.075 58.100 0.115 0.000 1.099 422 Y CB 1.757 40.387 38.460 0.283 0.000 1.179 422 Y HN 0.426 nan 8.280 nan 0.000 0.442 423 L N 6.792 127.890 121.223 -0.209 0.000 2.342 423 L HA 0.334 4.674 4.340 -0.000 0.000 0.276 423 L C -0.635 176.167 176.870 -0.115 0.000 0.997 423 L CA -0.643 54.199 54.840 0.003 0.000 0.838 423 L CB 1.030 43.099 42.059 0.017 0.000 1.224 423 L HN 0.705 nan 8.230 nan 0.000 0.416 424 H N 2.920 121.992 119.070 0.004 0.000 2.732 424 H HA 0.108 4.663 4.556 -0.000 0.000 0.351 424 H C -1.064 174.405 175.328 0.235 0.000 1.090 424 H CA 0.196 56.268 56.048 0.040 0.000 1.431 424 H CB 0.745 30.543 29.762 0.060 0.000 1.447 424 H HN 0.570 nan 8.280 nan 0.000 0.582 425 W N 6.401 127.534 121.300 -0.279 0.000 2.308 425 W HA 0.416 5.076 4.660 -0.000 0.000 0.311 425 W C -0.952 175.544 176.519 -0.037 0.000 1.088 425 W CA -0.280 57.036 57.345 -0.049 0.000 1.309 425 W CB 1.040 30.525 29.460 0.041 0.000 1.229 425 W HN 0.535 nan 8.180 nan 0.000 0.427 426 S N 3.799 119.405 115.700 -0.157 0.000 2.806 426 S HA 0.327 4.797 4.470 -0.000 0.000 0.306 426 S C 0.329 174.883 174.600 -0.077 0.000 1.167 426 S CA -0.644 57.331 58.200 -0.375 0.000 0.847 426 S CB 1.182 63.712 63.200 -1.116 0.000 1.216 426 S HN 0.457 nan 8.310 nan 0.000 0.532 427 L N 2.071 123.200 121.223 -0.157 0.000 2.017 427 L HA 0.386 4.726 4.340 -0.000 0.000 0.208 427 L C 0.706 177.366 176.870 -0.350 0.000 1.073 427 L CA 2.452 57.042 54.840 -0.418 0.000 0.745 427 L CB -0.861 40.532 42.059 -1.110 0.000 0.894 427 L HN 0.756 nan 8.230 nan 0.000 0.432 428 A N -1.859 120.790 122.820 -0.286 0.000 2.479 428 A HA 0.539 4.859 4.320 -0.000 0.000 0.296 428 A C -1.016 176.517 177.584 -0.085 0.000 1.121 428 A CA -0.831 51.057 52.037 -0.249 0.000 0.743 428 A CB 0.460 19.201 19.000 -0.431 0.000 1.323 428 A HN 0.145 nan 8.150 nan 0.000 0.415 429 D N 0.695 121.079 120.400 -0.026 0.000 2.400 429 D HA 0.392 5.032 4.640 -0.000 0.000 0.238 429 D C 0.025 176.479 176.300 0.256 0.000 1.157 429 D CA 1.008 55.088 54.000 0.133 0.000 0.889 429 D CB 0.495 41.364 40.800 0.115 0.000 1.199 429 D HN 0.706 nan 8.370 nan 0.000 0.436 430 N N -1.184 117.749 118.700 0.387 0.000 3.277 430 N HA 0.153 4.893 4.740 -0.000 0.000 0.278 430 N C -1.660 174.086 175.510 0.394 0.000 1.544 430 N CA -0.920 52.384 53.050 0.424 0.000 0.869 430 N CB 0.372 38.988 38.487 0.215 0.000 1.584 430 N HN 0.270 nan 8.380 nan 0.000 0.564 431 Y N 0.477 120.794 120.300 0.029 0.000 2.531 431 Y HA 0.279 4.829 4.550 -0.000 0.000 0.347 431 Y C 0.073 175.708 175.900 -0.441 0.000 1.024 431 Y CA -0.247 57.605 58.100 -0.413 0.000 1.306 431 Y CB 0.606 38.684 38.460 -0.637 0.000 1.149 431 Y HN 0.697 nan 8.280 nan 0.000 0.527 432 E N 6.909 126.775 120.200 -0.557 0.000 2.122 432 E HA 0.184 4.534 4.350 -0.000 0.000 0.288 432 E C -0.617 175.785 176.600 -0.329 0.000 1.260 432 E CA -0.042 56.160 56.400 -0.329 0.000 1.344 432 E CB -0.533 29.198 29.700 0.052 0.000 1.337 432 E HN 0.735 nan 8.360 nan 0.000 0.484 433 W N 1.081 122.140 121.300 -0.403 0.000 1.922 433 W HA -0.467 4.193 4.660 -0.000 0.000 0.275 433 W C 1.812 178.272 176.519 -0.099 0.000 1.129 433 W CA 0.807 57.997 57.345 -0.258 0.000 1.077 433 W CB -1.624 27.765 29.460 -0.118 0.000 0.883 433 W HN 0.334 nan 8.180 nan 0.000 0.546 434 A N -0.359 122.817 122.820 0.593 0.000 2.070 434 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 434 A C 1.756 179.457 177.584 0.196 0.000 1.159 434 A CA 2.346 54.657 52.037 0.456 0.000 0.656 434 A CB -0.953 18.394 19.000 0.579 0.000 0.800 434 A HN 0.466 nan 8.150 nan 0.000 0.453 435 S N -1.229 114.553 115.700 0.137 0.000 2.489 435 S HA 0.376 4.846 4.470 -0.000 0.000 0.228 435 S C 1.321 175.798 174.600 -0.206 0.000 0.995 435 S CA 0.719 58.909 58.200 -0.017 0.000 0.934 435 S CB -0.417 62.742 63.200 -0.068 0.000 0.771 435 S HN 1.586 nan 8.310 nan 0.000 0.522 436 G N 1.288 109.809 108.800 -0.466 0.000 2.593 436 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.237 436 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.237 436 G C 0.154 174.706 174.900 -0.580 0.000 1.312 436 G CA -0.079 44.606 45.100 -0.692 0.000 0.896 436 G HN 0.252 nan 8.290 nan 0.000 0.574 437 F N 1.975 121.814 119.950 -0.185 0.000 2.604 437 F HA 0.091 4.618 4.527 -0.000 0.000 0.298 437 F C 2.977 178.729 175.800 -0.080 0.000 1.131 437 F CA 1.608 59.512 58.000 -0.161 0.000 1.457 437 F CB -0.222 38.566 39.000 -0.353 0.000 1.095 437 F HN 0.556 nan 8.300 nan 0.000 0.574 438 S N -0.696 115.017 115.700 0.022 0.000 2.442 438 S HA -0.098 4.372 4.470 -0.000 0.000 0.236 438 S C 1.075 175.609 174.600 -0.110 0.000 1.007 438 S CA 0.629 58.811 58.200 -0.030 0.000 0.965 438 S CB -0.376 62.777 63.200 -0.079 0.000 0.773 438 S HN 0.069 nan 8.310 nan 0.000 0.504 439 M N 2.630 122.130 119.600 -0.167 0.000 2.094 439 M HA 0.388 4.868 4.480 -0.000 0.000 0.348 439 M C -0.409 175.871 176.300 -0.034 0.000 1.267 439 M CA 0.279 55.418 55.300 -0.269 0.000 1.125 439 M CB 0.437 32.750 32.600 -0.477 0.000 1.527 439 M HN 0.186 nan 8.290 nan 0.000 0.447 440 R N 2.248 122.674 120.500 -0.123 0.000 2.239 440 R HA 0.346 4.686 4.340 -0.000 0.000 0.332 440 R C -0.141 176.130 176.300 -0.048 0.000 0.988 440 R CA -0.122 55.991 56.100 0.022 0.000 0.859 440 R CB 0.807 31.112 30.300 0.008 0.000 1.148 440 R HN 0.503 nan 8.270 nan 0.000 0.482 441 F N 0.383 120.396 119.950 0.106 0.000 2.695 441 F HA 0.244 4.771 4.527 -0.000 0.000 0.303 441 F C 1.599 177.447 175.800 0.080 0.000 1.091 441 F CA -0.340 57.750 58.000 0.150 0.000 1.300 441 F CB 0.861 40.085 39.000 0.373 0.000 1.071 441 F HN 0.553 nan 8.300 nan 0.000 0.578 442 G N 0.305 109.202 108.800 0.163 0.000 2.432 442 G HA2 0.286 4.246 3.960 -0.000 0.000 0.257 442 G HA3 0.286 4.246 3.960 -0.000 0.000 0.257 442 G C 0.931 175.850 174.900 0.032 0.000 1.238 442 G CA -0.420 44.706 45.100 0.044 0.000 0.838 442 G HN 0.249 nan 8.290 nan 0.000 0.547 443 L N 1.015 122.242 121.223 0.006 0.000 2.079 443 L HA 0.000 4.340 4.340 -0.000 0.000 0.210 443 L C 1.008 177.768 176.870 -0.184 0.000 1.081 443 L CA 0.958 55.745 54.840 -0.087 0.000 0.752 443 L CB -0.425 41.550 42.059 -0.140 0.000 0.896 443 L HN 0.328 nan 8.230 nan 0.000 0.433 444 L N -0.072 121.007 121.223 -0.240 0.000 2.317 444 L HA 0.330 4.670 4.340 -0.000 0.000 0.281 444 L C 0.009 176.790 176.870 -0.147 0.000 1.024 444 L CA -0.513 54.177 54.840 -0.249 0.000 0.810 444 L CB 1.576 43.391 42.059 -0.406 0.000 1.240 444 L HN -0.068 nan 8.230 nan 0.000 0.427 445 K N 2.116 122.481 120.400 -0.057 0.000 2.205 445 K HA 0.470 4.790 4.320 -0.000 0.000 0.279 445 K C -1.054 175.512 176.600 -0.057 0.000 1.027 445 K CA -0.506 55.754 56.287 -0.044 0.000 0.932 445 K CB 1.402 33.892 32.500 -0.018 0.000 1.032 445 K HN 0.369 nan 8.250 nan 0.000 0.466 446 V N 4.127 123.923 119.914 -0.196 0.000 2.394 446 V HA 0.073 4.193 4.120 -0.000 0.000 0.282 446 V C -0.282 175.576 176.094 -0.393 0.000 1.031 446 V CA -0.743 61.332 62.300 -0.376 0.000 0.881 446 V CB 1.386 32.773 31.823 -0.726 0.000 0.982 446 V HN 0.826 nan 8.190 nan 0.000 0.451 447 D N 3.542 123.835 120.400 -0.178 0.000 2.339 447 D HA 0.147 4.787 4.640 -0.000 0.000 0.241 447 D C 0.326 176.506 176.300 -0.199 0.000 1.183 447 D CA -0.112 53.817 54.000 -0.118 0.000 0.859 447 D CB 0.938 41.786 40.800 0.080 0.000 1.067 447 D HN 0.507 nan 8.370 nan 0.000 0.484 448 Y N 2.716 122.963 120.300 -0.089 0.000 2.571 448 Y HA -0.043 4.507 4.550 -0.000 0.000 0.294 448 Y C 1.834 177.667 175.900 -0.112 0.000 1.141 448 Y CA 0.612 58.613 58.100 -0.165 0.000 1.308 448 Y CB -0.140 38.105 38.460 -0.358 0.000 1.002 448 Y HN 0.481 nan 8.280 nan 0.000 0.551 449 N N -1.115 117.612 118.700 0.046 0.000 2.173 449 N HA -0.115 4.625 4.740 -0.000 0.000 0.184 449 N C 1.756 177.279 175.510 0.022 0.000 1.025 449 N CA 1.748 54.815 53.050 0.029 0.000 0.852 449 N CB -0.143 38.357 38.487 0.022 0.000 0.998 449 N HN 0.291 nan 8.380 nan 0.000 0.427 450 T N -2.478 112.085 114.554 0.016 0.000 3.022 450 T HA 0.222 4.572 4.350 -0.000 0.000 0.250 450 T C 0.491 175.190 174.700 -0.002 0.000 1.060 450 T CA -0.098 62.008 62.100 0.011 0.000 1.013 450 T CB 0.338 69.218 68.868 0.020 0.000 0.982 450 T HN -0.086 nan 8.240 nan 0.000 0.508 451 K N 0.156 120.544 120.400 -0.019 0.000 3.500 451 K HA -0.142 4.178 4.320 -0.000 0.000 0.313 451 K C 0.064 176.624 176.600 -0.068 0.000 1.338 451 K CA 0.550 56.818 56.287 -0.033 0.000 0.963 451 K CB -2.022 30.496 32.500 0.030 0.000 1.267 451 K HN 0.555 nan 8.250 nan 0.000 0.448 452 R N 0.616 121.069 120.500 -0.078 0.000 2.590 452 R HA 0.318 4.658 4.340 -0.000 0.000 0.274 452 R C 0.566 176.725 176.300 -0.234 0.000 1.061 452 R CA -0.050 55.942 56.100 -0.181 0.000 1.081 452 R CB 0.349 30.515 30.300 -0.223 0.000 0.984 452 R HN 0.067 nan 8.270 nan 0.000 0.448 453 L N 3.436 124.450 121.223 -0.347 0.000 2.325 453 L HA 0.448 4.788 4.340 -0.000 0.000 0.278 453 L C -0.925 175.728 176.870 -0.362 0.000 1.023 453 L CA -0.747 53.915 54.840 -0.296 0.000 0.811 453 L CB 0.933 42.795 42.059 -0.328 0.000 1.249 453 L HN 0.488 nan 8.230 nan 0.000 0.431 454 Y N -0.302 119.966 120.300 -0.054 0.000 2.462 454 Y HA 0.329 4.879 4.550 -0.000 0.000 0.346 454 Y C -0.815 175.149 175.900 0.106 0.000 0.976 454 Y CA -0.547 57.587 58.100 0.056 0.000 1.044 454 Y CB 1.775 40.235 38.460 0.001 0.000 1.230 454 Y HN 0.411 nan 8.280 nan 0.000 0.455 455 W N 4.325 125.654 121.300 0.048 0.000 2.437 455 W HA 0.464 5.124 4.660 -0.000 0.000 0.312 455 W C 0.291 176.829 176.519 0.031 0.000 1.242 455 W CA -0.888 56.463 57.345 0.011 0.000 1.340 455 W CB 0.268 29.724 29.460 -0.006 0.000 1.327 455 W HN 0.307 nan 8.180 nan 0.000 0.476 456 R N 4.279 124.862 120.500 0.139 0.000 2.641 456 R HA 0.055 4.395 4.340 -0.000 0.000 0.269 456 R C -1.256 175.122 176.300 0.129 0.000 1.074 456 R CA -1.152 55.005 56.100 0.094 0.000 1.133 456 R CB 0.060 30.376 30.300 0.027 0.000 1.029 456 R HN 0.174 nan 8.270 nan 0.000 0.488 457 P HA -0.152 nan 4.420 nan 0.000 0.217 457 P C 0.843 178.205 177.300 0.104 0.000 1.148 457 P CA 1.341 64.512 63.100 0.117 0.000 0.828 457 P CB 0.243 31.998 31.700 0.093 0.000 0.783 458 S N -0.835 114.909 115.700 0.072 0.000 2.420 458 S HA -0.194 4.276 4.470 -0.000 0.000 0.237 458 S C 1.949 176.575 174.600 0.043 0.000 1.023 458 S CA 1.355 59.583 58.200 0.045 0.000 0.991 458 S CB -0.896 62.319 63.200 0.026 0.000 0.792 458 S HN 0.168 nan 8.310 nan 0.000 0.488 459 A N 1.143 123.986 122.820 0.038 0.000 1.898 459 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 459 A C 2.045 179.732 177.584 0.171 0.000 1.181 459 A CA 0.997 53.015 52.037 -0.032 0.000 0.620 459 A CB -0.581 18.229 19.000 -0.316 0.000 0.819 459 A HN 0.472 nan 8.150 nan 0.000 0.442 460 L N -0.507 120.905 121.223 0.314 0.000 2.083 460 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 460 L C 2.483 179.463 176.870 0.183 0.000 1.083 460 L CA 0.986 56.013 54.840 0.313 0.000 0.752 460 L CB -0.627 41.570 42.059 0.230 0.000 0.899 460 L HN 0.228 nan 8.230 nan 0.000 0.433 461 V N -1.154 118.840 119.914 0.133 0.000 2.295 461 V HA -0.325 3.795 4.120 -0.000 0.000 0.246 461 V C 2.291 178.459 176.094 0.122 0.000 1.049 461 V CA 1.747 64.102 62.300 0.092 0.000 1.024 461 V CB -0.701 31.152 31.823 0.050 0.000 0.648 461 V HN 0.353 nan 8.190 nan 0.000 0.447 462 Y N 1.078 121.353 120.300 -0.041 0.000 2.224 462 Y HA -0.182 4.368 4.550 -0.000 0.000 0.289 462 Y C 2.772 178.635 175.900 -0.063 0.000 1.146 462 Y CA 1.733 59.782 58.100 -0.083 0.000 1.182 462 Y CB -0.489 37.910 38.460 -0.100 0.000 0.983 462 Y HN 0.102 nan 8.280 nan 0.000 0.524 463 R N 0.327 120.868 120.500 0.070 0.000 2.096 463 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 463 R C 1.876 178.168 176.300 -0.013 0.000 1.127 463 R CA 1.522 57.637 56.100 0.026 0.000 0.968 463 R CB -0.030 30.399 30.300 0.215 0.000 0.861 463 R HN 0.293 nan 8.270 nan 0.000 0.440 464 E N 0.841 121.052 120.200 0.019 0.000 2.058 464 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 464 E C 2.112 178.673 176.600 -0.064 0.000 0.997 464 E CA 1.309 57.707 56.400 -0.003 0.000 0.801 464 E CB -0.355 29.358 29.700 0.022 0.000 0.746 464 E HN 0.433 nan 8.360 nan 0.000 0.450 465 I N 1.010 121.509 120.570 -0.119 0.000 2.127 465 I HA -0.303 3.867 4.170 -0.000 0.000 0.241 465 I C 2.506 178.355 176.117 -0.448 0.000 1.075 465 I CA 1.435 62.563 61.300 -0.287 0.000 1.334 465 I CB -0.376 37.407 38.000 -0.362 0.000 1.040 465 I HN 0.023 nan 8.210 nan 0.000 0.405 466 A N 0.724 123.258 122.820 -0.476 0.000 1.873 466 A HA -0.200 4.120 4.320 -0.000 0.000 0.215 466 A C 2.441 179.961 177.584 -0.107 0.000 1.186 466 A CA 2.290 54.104 52.037 -0.373 0.000 0.616 466 A CB -1.277 17.494 19.000 -0.382 0.000 0.823 466 A HN 0.529 nan 8.150 nan 0.000 0.442 467 T N -1.953 112.555 114.554 -0.077 0.000 2.833 467 T HA -0.118 4.232 4.350 -0.000 0.000 0.269 467 T C 1.455 176.164 174.700 0.015 0.000 1.054 467 T CA 1.515 63.611 62.100 -0.007 0.000 1.135 467 T CB -0.437 68.434 68.868 0.005 0.000 0.869 467 T HN 0.445 nan 8.240 nan 0.000 0.466 468 N N 1.072 119.772 118.700 -0.000 0.000 2.392 468 N HA 0.154 4.894 4.740 -0.000 0.000 0.177 468 N C 1.466 177.029 175.510 0.087 0.000 1.066 468 N CA 0.775 53.847 53.050 0.036 0.000 0.895 468 N CB 0.203 38.705 38.487 0.026 0.000 0.988 468 N HN 0.680 nan 8.380 nan 0.000 0.457 469 G N 0.990 109.847 108.800 0.096 0.000 2.221 469 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.265 469 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.265 469 G C -0.097 175.016 174.900 0.355 0.000 1.041 469 G CA 0.543 45.802 45.100 0.265 0.000 0.807 469 G HN 0.668 nan 8.290 nan 0.000 0.502 470 A N -1.050 121.895 122.820 0.208 0.000 2.594 470 A HA 0.685 5.005 4.320 -0.000 0.000 0.296 470 A C -0.305 177.379 177.584 0.166 0.000 1.056 470 A CA -0.604 51.608 52.037 0.291 0.000 0.693 470 A CB 0.867 19.974 19.000 0.178 0.000 1.278 470 A HN 0.828 nan 8.150 nan 0.000 0.408 471 I N 3.078 123.802 120.570 0.257 0.000 2.421 471 I HA 0.178 4.348 4.170 -0.000 0.000 0.291 471 I C 1.254 177.440 176.117 0.115 0.000 1.089 471 I CA 0.137 61.546 61.300 0.181 0.000 1.354 471 I CB 0.761 38.938 38.000 0.295 0.000 1.413 471 I HN 0.776 nan 8.210 nan 0.000 0.513 472 T N 0.892 115.484 114.554 0.063 0.000 2.813 472 T HA 0.071 4.421 4.350 -0.000 0.000 0.297 472 T C 0.974 175.685 174.700 0.018 0.000 1.036 472 T CA -0.761 61.357 62.100 0.030 0.000 1.044 472 T CB 1.153 70.036 68.868 0.025 0.000 0.993 472 T HN 0.455 nan 8.240 nan 0.000 0.535 473 D N 0.853 121.246 120.400 -0.012 0.000 2.149 473 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 473 D C 2.114 178.429 176.300 0.025 0.000 0.990 473 D CA 1.291 55.280 54.000 -0.018 0.000 0.839 473 D CB -0.019 40.760 40.800 -0.035 0.000 0.948 473 D HN 0.811 nan 8.370 nan 0.000 0.460 474 E N 0.855 121.075 120.200 0.034 0.000 2.268 474 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 474 E C 2.094 178.773 176.600 0.131 0.000 0.995 474 E CA 0.534 56.967 56.400 0.053 0.000 0.836 474 E CB -0.391 29.329 29.700 0.033 0.000 0.763 474 E HN 0.529 nan 8.360 nan 0.000 0.491 475 I N -2.541 118.109 120.570 0.134 0.000 4.081 475 I HA 0.289 4.459 4.170 -0.000 0.000 0.333 475 I C 1.779 177.939 176.117 0.071 0.000 1.413 475 I CA -0.325 61.063 61.300 0.146 0.000 1.110 475 I CB 0.377 38.408 38.000 0.053 0.000 1.082 475 I HN -0.216 nan 8.210 nan 0.000 0.402 476 E N 2.189 122.468 120.200 0.132 0.000 2.268 476 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 476 E C 1.932 178.573 176.600 0.068 0.000 0.995 476 E CA 1.281 57.741 56.400 0.100 0.000 0.836 476 E CB -0.095 29.658 29.700 0.089 0.000 0.763 476 E HN 0.789 nan 8.360 nan 0.000 0.491 477 H N -0.127 118.953 119.070 0.016 0.000 2.521 477 H HA -0.076 4.480 4.556 -0.000 0.000 0.286 477 H C 1.771 177.127 175.328 0.046 0.000 1.034 477 H CA 0.606 56.668 56.048 0.024 0.000 1.278 477 H CB -0.417 29.358 29.762 0.021 0.000 1.386 477 H HN 0.256 nan 8.280 nan 0.000 0.567 478 L N 0.876 121.713 121.223 -0.644 0.000 2.551 478 L HA -0.069 4.271 4.340 -0.000 0.000 0.228 478 L C 1.001 177.836 176.870 -0.058 0.000 1.153 478 L CA 0.310 54.873 54.840 -0.461 0.000 0.851 478 L CB -0.451 41.284 42.059 -0.539 0.000 0.959 478 L HN 0.131 nan 8.230 nan 0.000 0.451 479 N N 1.097 119.765 118.700 -0.053 0.000 3.103 479 N HA 0.011 4.751 4.740 -0.000 0.000 0.305 479 N C -0.527 174.980 175.510 -0.006 0.000 1.232 479 N CA 0.023 53.043 53.050 -0.050 0.000 1.190 479 N CB -0.059 38.287 38.487 -0.235 0.000 1.461 479 N HN 0.275 nan 8.380 nan 0.000 0.538 480 S N -1.409 114.381 115.700 0.149 0.000 2.636 480 S HA 0.426 4.896 4.470 -0.000 0.000 0.268 480 S C -0.897 173.757 174.600 0.090 0.000 1.159 480 S CA -1.010 57.263 58.200 0.122 0.000 0.815 480 S CB 0.666 63.934 63.200 0.113 0.000 1.130 480 S HN -0.109 nan 8.310 nan 0.000 0.471 481 V N 2.531 122.364 119.914 -0.136 0.000 2.530 481 V HA 0.383 4.503 4.120 -0.000 0.000 0.282 481 V C -2.287 173.353 176.094 -0.757 0.000 1.048 481 V CA -1.524 60.447 62.300 -0.548 0.000 0.997 481 V CB 0.528 32.164 31.823 -0.311 0.000 0.987 481 V HN 0.748 nan 8.190 nan 0.000 0.477 482 P HA 0.113 nan 4.420 nan 0.000 0.262 482 P C -2.555 174.370 177.300 -0.625 0.000 1.182 482 P CA -0.770 61.623 63.100 -1.178 0.000 0.761 482 P CB -0.286 30.998 31.700 -0.694 0.000 0.795 483 P HA -0.089 nan 4.420 nan 0.000 0.261 483 P C 1.079 178.269 177.300 -0.182 0.000 1.183 483 P CA 0.264 63.219 63.100 -0.242 0.000 0.761 483 P CB 0.300 31.914 31.700 -0.143 0.000 0.785 484 V N 1.912 121.737 119.914 -0.149 0.000 2.788 484 V HA -0.128 3.992 4.120 -0.000 0.000 0.251 484 V C 2.168 178.235 176.094 -0.045 0.000 1.068 484 V CA 1.273 63.496 62.300 -0.127 0.000 1.090 484 V CB -1.014 30.698 31.823 -0.186 0.000 0.710 484 V HN 0.276 nan 8.190 nan 0.000 0.467 485 K N 1.397 121.787 120.400 -0.016 0.000 2.044 485 K HA -0.070 4.250 4.320 -0.000 0.000 0.210 485 K C 0.296 176.965 176.600 0.116 0.000 1.049 485 K CA 2.261 58.600 56.287 0.086 0.000 0.927 485 K CB -1.922 30.600 32.500 0.037 0.000 0.713 485 K HN 0.785 nan 8.250 nan 0.000 0.443 486 P HA 0.176 nan 4.420 nan 0.000 0.245 486 P C 0.008 177.288 177.300 -0.034 0.000 1.206 486 P CA 0.370 63.458 63.100 -0.021 0.000 0.781 486 P CB 0.030 31.689 31.700 -0.069 0.000 0.994 487 L N -0.689 120.548 121.223 0.024 0.000 2.431 487 L HA 0.380 4.720 4.340 -0.000 0.000 0.260 487 L C 1.076 178.038 176.870 0.154 0.000 1.098 487 L CA -1.304 53.559 54.840 0.039 0.000 0.800 487 L CB 0.604 42.684 42.059 0.035 0.000 1.210 487 L HN -0.210 nan 8.230 nan 0.000 0.465 488 R N 0.144 120.716 120.500 0.120 0.000 2.623 488 R HA 0.118 4.458 4.340 -0.000 0.000 0.271 488 R C -0.602 175.886 176.300 0.314 0.000 1.043 488 R CA 0.153 56.329 56.100 0.128 0.000 1.083 488 R CB 0.290 30.640 30.300 0.083 0.000 0.974 488 R HN 0.587 nan 8.270 nan 0.000 0.436 489 H N 0.000 119.076 119.070 0.009 0.000 2.539 489 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 489 H CA 0.000 56.055 56.048 0.012 0.000 1.023 489 H CB 0.000 29.765 29.762 0.005 0.000 1.292 489 H HN 0.000 nan 8.280 nan 0.000 0.496