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 1uwq_1_B DATA FIRST_RESID 1 DATA SEQUENCE MYSFPNSFRF GWSQAGFQSE MGTPGSEDPN TDWYKWVHDP ENMAAGLVSG DATA SEQUENCE DLPENGPGYW GNYKTFHDNA QKMGLKIARL NVEWSRIFPN PLPRPXXFDE DATA SEQUENCE SKQDVTEVEI NENELKRLDE YANKDALNHY REIFKDLKSR GLYFILNMYH DATA SEQUENCE WPLPLWLHDP IRVRRGDFTG PSGWLSTRTV YEFARFSAYI AWKFDDLVDE DATA SEQUENCE YSTMNEPNVV GGLGYVGVKS GFPPGYLSFE LSRRAMYNII QAHARAYDGI DATA SEQUENCE KSVSKKPVGI IYANSSFQPL TDKDMEAVEM AENDNRWWFF DAIIRGEITR DATA SEQUENCE XXEKIVRDDL KGRLDWIGVN YYTRTVVKRT EKGYVSLGGY GHGCERNSVS DATA SEQUENCE LAGLPTSDFG WEFFPEGLYD VLTKYWNRYH LYMYVTENGI ADDADYQRPY DATA SEQUENCE YLVSHVYQVH RAINSGADVR GYLHWSLADN YEWASGFSMR FGLLKVDYNT DATA SEQUENCE KRLYWRPSAL VYREIATNGA ITDEIEHLNS VPPVKPLRH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.952 176.300 -0.580 0.000 1.140 1 M CA 0.000 55.125 55.300 -0.292 0.000 0.988 1 M CB 0.000 32.511 32.600 -0.148 0.000 1.302 2 Y N 2.094 122.306 120.300 -0.146 0.000 2.447 2 Y HA 0.562 5.112 4.550 -0.000 0.000 0.325 2 Y C -0.239 175.524 175.900 -0.229 0.000 0.976 2 Y CA -0.487 57.343 58.100 -0.451 0.000 1.280 2 Y CB 2.095 40.198 38.460 -0.596 0.000 1.104 2 Y HN 0.584 nan 8.280 nan 0.000 0.486 3 S N 3.612 119.340 115.700 0.047 0.000 2.508 3 S HA 0.586 5.056 4.470 -0.000 0.000 0.284 3 S C -0.688 174.013 174.600 0.168 0.000 1.192 3 S CA -0.507 57.804 58.200 0.187 0.000 1.070 3 S CB 0.479 63.752 63.200 0.122 0.000 1.004 3 S HN 0.351 nan 8.310 nan 0.000 0.493 4 F N 2.370 122.420 119.950 0.166 0.000 2.440 4 F HA 0.473 5.000 4.527 -0.000 0.000 0.328 4 F C -1.807 174.007 175.800 0.024 0.000 1.070 4 F CA -2.054 55.947 58.000 0.002 0.000 1.011 4 F CB 0.134 39.040 39.000 -0.157 0.000 1.226 4 F HN 0.335 nan 8.300 nan 0.000 0.491 5 P HA 0.028 nan 4.420 nan 0.000 0.267 5 P C 0.191 177.599 177.300 0.179 0.000 1.201 5 P CA 0.113 63.283 63.100 0.117 0.000 0.775 5 P CB 0.547 32.301 31.700 0.090 0.000 0.854 6 N N 0.234 119.003 118.700 0.116 0.000 2.272 6 N HA -0.121 4.619 4.740 -0.000 0.000 0.185 6 N C 1.323 176.889 175.510 0.093 0.000 1.014 6 N CA 1.526 54.641 53.050 0.107 0.000 0.870 6 N CB -0.477 38.050 38.487 0.066 0.000 0.975 6 N HN 0.461 nan 8.380 nan 0.000 0.433 7 S N -0.684 115.059 115.700 0.071 0.000 2.501 7 S HA 0.067 4.537 4.470 -0.000 0.000 0.220 7 S C 0.593 175.194 174.600 0.001 0.000 0.997 7 S CA -0.517 57.687 58.200 0.008 0.000 0.919 7 S CB -0.442 62.735 63.200 -0.039 0.000 0.778 7 S HN 0.209 nan 8.310 nan 0.000 0.523 8 F N 3.484 123.397 119.950 -0.061 0.000 2.578 8 F HA 0.342 4.869 4.527 -0.000 0.000 0.376 8 F C 0.697 176.397 175.800 -0.166 0.000 1.085 8 F CA -0.309 57.623 58.000 -0.114 0.000 1.260 8 F CB 0.456 39.436 39.000 -0.034 0.000 1.095 8 F HN -0.032 nan 8.300 nan 0.000 0.573 9 R N 5.428 125.531 120.500 -0.662 0.000 2.562 9 R HA 0.408 4.748 4.340 -0.000 0.000 0.298 9 R C -1.552 174.406 176.300 -0.570 0.000 0.961 9 R CA -0.845 55.008 56.100 -0.412 0.000 0.881 9 R CB 1.397 31.522 30.300 -0.292 0.000 1.159 9 R HN 0.487 nan 8.270 nan 0.000 0.450 10 F N 0.766 120.711 119.950 -0.007 0.000 2.408 10 F HA 0.615 5.142 4.527 -0.000 0.000 0.344 10 F C 1.086 176.976 175.800 0.150 0.000 1.112 10 F CA 0.201 58.284 58.000 0.139 0.000 1.096 10 F CB 2.002 41.046 39.000 0.074 0.000 1.129 10 F HN 0.671 nan 8.300 nan 0.000 0.486 11 G N 1.837 110.929 108.800 0.487 0.000 2.791 11 G HA2 0.459 4.419 3.960 -0.000 0.000 0.158 11 G HA3 0.459 4.419 3.960 -0.000 0.000 0.158 11 G C -2.187 173.109 174.900 0.661 0.000 1.193 11 G CA -0.433 44.965 45.100 0.496 0.000 1.032 11 G HN 0.748 nan 8.290 nan 0.000 0.557 12 W N -0.294 121.126 121.300 0.201 0.000 3.066 12 W HA 0.818 5.478 4.660 -0.000 0.000 0.330 12 W C -1.213 175.365 176.519 0.098 0.000 1.253 12 W CA -0.815 56.629 57.345 0.165 0.000 1.187 12 W CB 1.176 30.725 29.460 0.149 0.000 1.434 12 W HN 0.602 nan 8.180 nan 0.000 0.572 13 S N 1.705 117.439 115.700 0.057 0.000 2.566 13 S HA 0.681 5.151 4.470 -0.000 0.000 0.298 13 S C -1.030 173.540 174.600 -0.050 0.000 1.083 13 S CA -0.865 57.316 58.200 -0.032 0.000 0.978 13 S CB 1.883 65.263 63.200 0.300 0.000 1.073 13 S HN 0.572 nan 8.310 nan 0.000 0.491 14 Q N 0.390 120.153 119.800 -0.061 0.000 2.630 14 Q HA 0.820 5.160 4.340 -0.000 0.000 0.295 14 Q C -1.835 174.192 176.000 0.044 0.000 0.944 14 Q CA -1.282 54.395 55.803 -0.210 0.000 0.766 14 Q CB 1.545 30.196 28.738 -0.144 0.000 1.471 14 Q HN 0.659 nan 8.270 nan 0.000 0.416 15 A N 0.110 122.923 122.820 -0.011 0.000 2.356 15 A HA 0.752 5.072 4.320 -0.000 0.000 0.323 15 A C 0.704 178.286 177.584 -0.004 0.000 1.119 15 A CA -0.104 51.833 52.037 -0.166 0.000 0.790 15 A CB 1.242 19.828 19.000 -0.690 0.000 1.273 15 A HN 0.953 nan 8.150 nan 0.000 0.452 16 G N 0.043 108.924 108.800 0.134 0.000 2.433 16 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 16 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 16 G C 1.245 176.269 174.900 0.205 0.000 1.186 16 G CA 1.474 46.737 45.100 0.272 0.000 0.779 16 G HN 0.737 nan 8.290 nan 0.000 0.543 17 F N 1.343 121.306 119.950 0.021 0.000 2.234 17 F HA 0.002 4.529 4.527 -0.000 0.000 0.299 17 F C 2.914 178.599 175.800 -0.192 0.000 1.087 17 F CA 1.684 59.654 58.000 -0.049 0.000 1.340 17 F CB -0.009 38.976 39.000 -0.025 0.000 1.031 17 F HN 0.194 nan 8.300 nan 0.000 0.500 18 Q N -1.236 118.425 119.800 -0.233 0.000 2.187 18 Q HA -0.066 4.274 4.340 -0.000 0.000 0.199 18 Q C 1.952 177.905 176.000 -0.079 0.000 0.957 18 Q CA 1.544 57.172 55.803 -0.290 0.000 0.857 18 Q CB 0.024 28.581 28.738 -0.301 0.000 0.929 18 Q HN 0.283 nan 8.270 nan 0.000 0.453 19 S N -0.384 115.305 115.700 -0.018 0.000 2.554 19 S HA 0.058 4.528 4.470 -0.000 0.000 0.227 19 S C 1.283 175.974 174.600 0.152 0.000 1.050 19 S CA -0.210 58.041 58.200 0.085 0.000 0.927 19 S CB 0.459 63.660 63.200 0.002 0.000 0.859 19 S HN 0.247 nan 8.310 nan 0.000 0.494 20 E N 1.315 121.606 120.200 0.153 0.000 2.028 20 E HA 0.019 4.369 4.350 -0.000 0.000 0.191 20 E C 0.340 177.032 176.600 0.154 0.000 0.988 20 E CA 0.784 57.337 56.400 0.254 0.000 0.799 20 E CB -0.032 29.811 29.700 0.238 0.000 0.755 20 E HN 0.433 nan 8.360 nan 0.000 0.447 21 M N -0.859 118.750 119.600 0.014 0.000 2.226 21 M HA 0.174 4.654 4.480 -0.000 0.000 0.324 21 M C 0.965 177.300 176.300 0.059 0.000 1.112 21 M CA 0.983 56.272 55.300 -0.018 0.000 1.176 21 M CB 1.140 33.681 32.600 -0.098 0.000 1.430 21 M HN 0.362 nan 8.290 nan 0.000 0.462 22 G N 0.021 108.855 108.800 0.057 0.000 3.211 22 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.202 22 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.202 22 G C 0.029 174.974 174.900 0.075 0.000 1.035 22 G CA -0.093 45.053 45.100 0.077 0.000 0.846 22 G HN 0.763 nan 8.290 nan 0.000 0.464 23 T N 1.594 116.204 114.554 0.093 0.000 2.806 23 T HA 0.616 4.966 4.350 -0.000 0.000 0.290 23 T C -2.627 172.115 174.700 0.071 0.000 0.966 23 T CA -1.621 60.532 62.100 0.088 0.000 1.060 23 T CB 1.933 70.872 68.868 0.119 0.000 0.927 23 T HN 0.074 nan 8.240 nan 0.000 0.485 24 P HA 0.217 nan 4.420 nan 0.000 0.263 24 P C 1.214 178.545 177.300 0.053 0.000 1.175 24 P CA 1.252 64.376 63.100 0.040 0.000 0.761 24 P CB 0.078 31.797 31.700 0.033 0.000 0.794 25 G N 2.136 110.952 108.800 0.028 0.000 2.194 25 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.236 25 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.236 25 G C 0.987 175.871 174.900 -0.026 0.000 0.987 25 G CA 0.408 45.526 45.100 0.030 0.000 0.635 25 G HN 0.636 nan 8.290 nan 0.000 0.520 26 S N -0.214 115.435 115.700 -0.084 0.000 2.535 26 S HA 0.388 4.858 4.470 -0.000 0.000 0.214 26 S C 0.535 174.877 174.600 -0.429 0.000 0.980 26 S CA 0.697 58.660 58.200 -0.396 0.000 0.907 26 S CB 0.460 63.556 63.200 -0.173 0.000 0.790 26 S HN 0.423 nan 8.310 nan 0.000 0.510 27 E N 2.628 122.694 120.200 -0.224 0.000 2.465 27 E HA 0.293 4.643 4.350 -0.000 0.000 0.260 27 E C -0.649 175.799 176.600 -0.254 0.000 0.980 27 E CA 0.382 56.682 56.400 -0.168 0.000 0.927 27 E CB 0.348 29.995 29.700 -0.089 0.000 0.934 27 E HN 0.274 nan 8.360 nan 0.000 0.459 28 D N 4.111 124.363 120.400 -0.247 0.000 2.408 28 D HA 0.180 4.820 4.640 -0.000 0.000 0.261 28 D C -2.149 173.879 176.300 -0.454 0.000 1.190 28 D CA -2.193 51.654 54.000 -0.255 0.000 0.910 28 D CB 1.045 41.761 40.800 -0.140 0.000 1.097 28 D HN 0.138 nan 8.370 nan 0.000 0.522 29 P HA 0.091 nan 4.420 nan 0.000 0.249 29 P C -0.310 176.688 177.300 -0.503 0.000 1.229 29 P CA 0.106 62.435 63.100 -1.284 0.000 0.788 29 P CB -0.009 31.210 31.700 -0.802 0.000 1.072 30 N N 0.311 118.884 118.700 -0.212 0.000 2.455 30 N HA 0.076 4.816 4.740 -0.000 0.000 0.258 30 N C 0.066 175.600 175.510 0.041 0.000 1.158 30 N CA -0.116 52.913 53.050 -0.035 0.000 0.893 30 N CB 0.207 38.706 38.487 0.021 0.000 1.173 30 N HN 0.184 nan 8.380 nan 0.000 0.503 31 T N -3.288 111.331 114.554 0.109 0.000 2.924 31 T HA 0.182 4.532 4.350 -0.000 0.000 0.291 31 T C 0.890 175.672 174.700 0.137 0.000 1.045 31 T CA -0.920 61.260 62.100 0.135 0.000 1.015 31 T CB 1.663 70.669 68.868 0.231 0.000 1.103 31 T HN -0.009 nan 8.240 nan 0.000 0.496 32 D N 0.380 120.806 120.400 0.043 0.000 2.104 32 D HA -0.178 4.462 4.640 -0.000 0.000 0.194 32 D C 1.484 177.807 176.300 0.038 0.000 0.994 32 D CA 1.288 55.254 54.000 -0.057 0.000 0.830 32 D CB -0.706 39.953 40.800 -0.234 0.000 0.959 32 D HN 0.732 nan 8.370 nan 0.000 0.452 33 W N 0.026 121.316 121.300 -0.018 0.000 2.358 33 W HA -0.153 4.507 4.660 -0.000 0.000 0.303 33 W C 2.482 179.163 176.519 0.270 0.000 1.208 33 W CA 1.159 58.482 57.345 -0.036 0.000 1.274 33 W CB -0.704 28.408 29.460 -0.580 0.000 1.138 33 W HN 0.003 nan 8.180 nan 0.000 0.515 34 Y N 1.311 121.901 120.300 0.483 0.000 2.097 34 Y HA -0.321 4.229 4.550 -0.000 0.000 0.282 34 Y C 2.576 178.749 175.900 0.455 0.000 1.152 34 Y CA 2.559 61.006 58.100 0.579 0.000 1.136 34 Y CB -0.693 38.003 38.460 0.394 0.000 0.975 34 Y HN -0.142 nan 8.280 nan 0.000 0.498 35 K N -0.238 120.453 120.400 0.485 0.000 2.063 35 K HA -0.263 4.057 4.320 -0.000 0.000 0.208 35 K C 2.299 179.047 176.600 0.247 0.000 1.048 35 K CA 1.731 58.198 56.287 0.299 0.000 0.928 35 K CB -0.820 31.788 32.500 0.179 0.000 0.713 35 K HN 0.629 nan 8.250 nan 0.000 0.442 36 W N 1.651 122.970 121.300 0.031 0.000 2.335 36 W HA -0.216 4.444 4.660 -0.000 0.000 0.311 36 W C 1.632 178.168 176.519 0.028 0.000 1.213 36 W CA 2.222 59.521 57.345 -0.076 0.000 1.274 36 W CB -0.161 29.100 29.460 -0.332 0.000 1.148 36 W HN 0.081 nan 8.180 nan 0.000 0.498 37 V N -1.730 118.364 119.914 0.301 0.000 3.041 37 V HA -0.120 4.000 4.120 -0.000 0.000 0.260 37 V C 1.422 177.470 176.094 -0.077 0.000 1.105 37 V CA 1.790 64.194 62.300 0.172 0.000 1.125 37 V CB -1.156 30.924 31.823 0.428 0.000 0.730 37 V HN 0.084 nan 8.190 nan 0.000 0.479 38 H N 0.259 119.288 119.070 -0.067 0.000 2.539 38 H HA 0.285 4.841 4.556 -0.000 0.000 0.267 38 H C 0.561 175.834 175.328 -0.091 0.000 0.982 38 H CA 0.241 56.230 56.048 -0.098 0.000 1.146 38 H CB -0.195 29.495 29.762 -0.120 0.000 1.382 38 H HN 0.566 nan 8.280 nan 0.000 0.577 39 D N 0.993 121.362 120.400 -0.052 0.000 2.401 39 D HA -0.010 4.630 4.640 -0.000 0.000 0.254 39 D C -1.480 174.743 176.300 -0.128 0.000 1.192 39 D CA -1.559 52.370 54.000 -0.118 0.000 0.885 39 D CB 1.234 41.875 40.800 -0.264 0.000 1.147 39 D HN 0.008 nan 8.370 nan 0.000 0.478 40 P HA -0.175 nan 4.420 nan 0.000 0.216 40 P C 0.679 177.922 177.300 -0.096 0.000 1.153 40 P CA 1.296 64.354 63.100 -0.070 0.000 0.858 40 P CB 0.193 31.868 31.700 -0.043 0.000 0.789 41 E N -1.148 118.980 120.200 -0.120 0.000 2.072 41 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 41 E C 1.876 178.374 176.600 -0.170 0.000 0.982 41 E CA 0.756 57.081 56.400 -0.124 0.000 0.803 41 E CB -0.440 29.189 29.700 -0.118 0.000 0.755 41 E HN 0.204 nan 8.360 nan 0.000 0.453 42 N N 0.486 119.021 118.700 -0.275 0.000 2.149 42 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 42 N C 1.717 177.104 175.510 -0.205 0.000 1.019 42 N CA 1.157 53.998 53.050 -0.349 0.000 0.857 42 N CB -0.104 37.980 38.487 -0.672 0.000 0.997 42 N HN 0.193 nan 8.380 nan 0.000 0.426 43 M N 0.159 119.662 119.600 -0.162 0.000 2.099 43 M HA -0.036 4.444 4.480 -0.000 0.000 0.262 43 M C 2.110 178.371 176.300 -0.065 0.000 1.067 43 M CA 1.294 56.536 55.300 -0.096 0.000 1.124 43 M CB -0.148 32.402 32.600 -0.082 0.000 1.353 43 M HN 0.136 nan 8.290 nan 0.000 0.410 44 A N 0.051 122.831 122.820 -0.067 0.000 1.972 44 A HA -0.004 4.316 4.320 -0.000 0.000 0.219 44 A C 2.193 179.753 177.584 -0.040 0.000 1.169 44 A CA 1.718 53.727 52.037 -0.046 0.000 0.635 44 A CB -0.751 18.223 19.000 -0.044 0.000 0.810 44 A HN 0.517 nan 8.150 nan 0.000 0.446 45 A N -1.796 120.992 122.820 -0.054 0.000 2.167 45 A HA 0.377 4.697 4.320 -0.000 0.000 0.214 45 A C 1.939 179.513 177.584 -0.017 0.000 1.151 45 A CA 1.308 53.322 52.037 -0.038 0.000 0.735 45 A CB -0.908 18.061 19.000 -0.052 0.000 0.802 45 A HN 1.857 nan 8.150 nan 0.000 0.467 46 G N -1.125 107.664 108.800 -0.019 0.000 2.148 46 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.254 46 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.254 46 G C 0.812 175.732 174.900 0.034 0.000 0.981 46 G CA 0.570 45.675 45.100 0.008 0.000 0.670 46 G HN 0.429 nan 8.290 nan 0.000 0.528 47 L N -0.422 120.810 121.223 0.016 0.000 2.093 47 L HA 0.135 4.474 4.340 -0.000 0.000 0.208 47 L C 1.785 178.734 176.870 0.132 0.000 1.085 47 L CA 1.656 56.541 54.840 0.075 0.000 0.755 47 L CB -0.324 41.748 42.059 0.023 0.000 0.904 47 L HN 0.491 nan 8.230 nan 0.000 0.435 48 V N -5.059 114.884 119.914 0.048 0.000 2.919 48 V HA 0.355 4.475 4.120 -0.000 0.000 0.316 48 V C 1.068 177.195 176.094 0.055 0.000 1.077 48 V CA -0.221 62.141 62.300 0.104 0.000 0.977 48 V CB 1.562 33.429 31.823 0.073 0.000 1.039 48 V HN 0.144 nan 8.190 nan 0.000 0.441 49 S N 0.490 116.224 115.700 0.057 0.000 2.453 49 S HA 0.236 4.706 4.470 -0.000 0.000 0.231 49 S C 1.673 176.276 174.600 0.003 0.000 1.005 49 S CA 1.239 59.448 58.200 0.016 0.000 0.949 49 S CB -0.144 63.039 63.200 -0.028 0.000 0.774 49 S HN 2.707 nan 8.310 nan 0.000 0.510 50 G N 0.733 109.533 108.800 -0.000 0.000 2.234 50 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.235 50 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.235 50 G C -0.374 174.521 174.900 -0.009 0.000 0.997 50 G CA 0.043 45.131 45.100 -0.020 0.000 0.623 50 G HN 0.549 nan 8.290 nan 0.000 0.514 51 D N 0.655 121.074 120.400 0.031 0.000 2.399 51 D HA 0.563 5.203 4.640 -0.000 0.000 0.241 51 D C 0.779 177.138 176.300 0.098 0.000 1.133 51 D CA 0.379 54.440 54.000 0.103 0.000 0.890 51 D CB 0.922 41.769 40.800 0.078 0.000 1.201 51 D HN 0.391 nan 8.370 nan 0.000 0.432 52 L N 2.845 124.089 121.223 0.035 0.000 2.365 52 L HA 0.321 4.661 4.340 -0.000 0.000 0.273 52 L C -1.531 175.091 176.870 -0.414 0.000 1.000 52 L CA -1.732 52.945 54.840 -0.271 0.000 0.819 52 L CB 2.576 44.448 42.059 -0.313 0.000 1.284 52 L HN 0.187 nan 8.230 nan 0.000 0.418 53 P HA -0.165 nan 4.420 nan 0.000 0.223 53 P C 0.780 177.880 177.300 -0.335 0.000 1.151 53 P CA 1.028 63.487 63.100 -1.067 0.000 0.787 53 P CB 0.191 31.012 31.700 -1.465 0.000 0.788 54 E N -0.116 120.006 120.200 -0.129 0.000 2.472 54 E HA -0.109 4.241 4.350 -0.000 0.000 0.200 54 E C 0.524 177.135 176.600 0.018 0.000 1.046 54 E CA 0.652 57.056 56.400 0.007 0.000 0.871 54 E CB -0.923 28.850 29.700 0.122 0.000 0.806 54 E HN 0.228 nan 8.360 nan 0.000 0.533 55 N N 1.475 120.190 118.700 0.026 0.000 2.295 55 N HA 0.118 4.858 4.740 -0.000 0.000 0.221 55 N C 0.487 175.902 175.510 -0.159 0.000 1.129 55 N CA 0.492 53.522 53.050 -0.033 0.000 0.836 55 N CB 0.662 39.120 38.487 -0.048 0.000 1.040 55 N HN 0.243 nan 8.380 nan 0.000 0.494 56 G N 1.495 110.321 108.800 0.043 0.000 2.516 56 G HA2 0.124 4.084 3.960 -0.000 0.000 0.276 56 G HA3 0.124 4.084 3.960 -0.000 0.000 0.276 56 G C -1.350 173.728 174.900 0.297 0.000 1.390 56 G CA -0.596 44.610 45.100 0.176 0.000 1.050 56 G HN -0.003 nan 8.290 nan 0.000 0.519 57 P HA 0.079 nan 4.420 nan 0.000 0.236 57 P C 0.944 178.437 177.300 0.322 0.000 1.177 57 P CA 1.152 64.462 63.100 0.351 0.000 0.773 57 P CB 0.387 32.330 31.700 0.406 0.000 0.878 58 G N 0.308 109.267 108.800 0.264 0.000 2.256 58 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.272 58 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.272 58 G C 0.377 175.401 174.900 0.207 0.000 1.076 58 G CA 0.158 45.388 45.100 0.216 0.000 0.882 58 G HN 0.275 nan 8.290 nan 0.000 0.497 59 Y N -0.862 119.411 120.300 -0.044 0.000 2.315 59 Y HA -0.081 4.468 4.550 -0.000 0.000 0.288 59 Y C 2.342 178.255 175.900 0.022 0.000 1.154 59 Y CA 2.188 60.059 58.100 -0.382 0.000 1.229 59 Y CB -0.138 37.981 38.460 -0.568 0.000 0.980 59 Y HN 0.570 nan 8.280 nan 0.000 0.540 60 W N 0.552 121.814 121.300 -0.064 0.000 2.335 60 W HA -0.194 4.466 4.660 -0.000 0.000 0.311 60 W C 2.002 178.599 176.519 0.129 0.000 1.213 60 W CA 1.913 59.224 57.345 -0.057 0.000 1.274 60 W CB -0.632 28.758 29.460 -0.118 0.000 1.148 60 W HN 0.249 nan 8.180 nan 0.000 0.498 61 G N -0.781 108.136 108.800 0.195 0.000 2.595 61 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.213 61 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.213 61 G C 0.964 175.816 174.900 -0.081 0.000 1.141 61 G CA 0.229 45.380 45.100 0.085 0.000 0.806 61 G HN 0.100 nan 8.290 nan 0.000 0.530 62 N N 0.331 118.989 118.700 -0.069 0.000 2.251 62 N HA 0.088 4.828 4.740 -0.000 0.000 0.217 62 N C 1.435 176.825 175.510 -0.200 0.000 1.124 62 N CA -0.297 52.692 53.050 -0.102 0.000 0.843 62 N CB 0.050 38.608 38.487 0.118 0.000 1.024 62 N HN 0.596 nan 8.380 nan 0.000 0.501 63 Y N 0.851 120.865 120.300 -0.477 0.000 2.241 63 Y HA -0.095 4.455 4.550 -0.000 0.000 0.286 63 Y C 1.859 177.439 175.900 -0.533 0.000 1.166 63 Y CA 1.070 58.684 58.100 -0.810 0.000 1.203 63 Y CB -0.527 37.160 38.460 -1.289 0.000 0.977 63 Y HN -0.142 nan 8.280 nan 0.000 0.529 64 K N 0.165 120.096 120.400 -0.781 0.000 2.057 64 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 64 K C 2.057 178.595 176.600 -0.104 0.000 1.049 64 K CA 1.942 58.017 56.287 -0.353 0.000 0.931 64 K CB -0.369 31.893 32.500 -0.397 0.000 0.714 64 K HN 0.415 nan 8.250 nan 0.000 0.440 65 T N 0.984 115.489 114.554 -0.081 0.000 2.708 65 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 65 T C 1.553 176.305 174.700 0.086 0.000 1.037 65 T CA 1.298 63.405 62.100 0.012 0.000 1.146 65 T CB -0.341 68.533 68.868 0.010 0.000 0.865 65 T HN 0.051 nan 8.240 nan 0.000 0.435 66 F N 1.411 121.306 119.950 -0.091 0.000 2.065 66 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 66 F C 2.415 178.212 175.800 -0.005 0.000 1.112 66 F CA 1.374 59.337 58.000 -0.061 0.000 1.212 66 F CB -0.914 38.145 39.000 0.098 0.000 0.975 66 F HN 0.423 nan 8.300 nan 0.000 0.476 67 H N -1.521 117.735 119.070 0.311 0.000 2.389 67 H HA -0.130 4.425 4.556 -0.000 0.000 0.299 67 H C 1.798 177.203 175.328 0.129 0.000 1.081 67 H CA 0.708 56.901 56.048 0.241 0.000 1.345 67 H CB -0.107 29.822 29.762 0.277 0.000 1.393 67 H HN 0.122 nan 8.280 nan 0.000 0.520 68 D N 0.463 120.986 120.400 0.206 0.000 2.106 68 D HA -0.161 4.479 4.640 -0.000 0.000 0.191 68 D C 1.883 178.259 176.300 0.126 0.000 0.997 68 D CA 0.921 54.996 54.000 0.126 0.000 0.834 68 D CB -0.322 40.520 40.800 0.069 0.000 0.956 68 D HN 0.343 nan 8.370 nan 0.000 0.448 69 N N 0.375 119.136 118.700 0.102 0.000 2.120 69 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 69 N C 1.764 177.305 175.510 0.052 0.000 1.024 69 N CA 1.185 54.316 53.050 0.136 0.000 0.852 69 N CB -0.175 38.306 38.487 -0.009 0.000 1.003 69 N HN 0.115 nan 8.380 nan 0.000 0.424 70 A N 1.190 123.975 122.820 -0.059 0.000 1.902 70 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 70 A C 2.203 179.837 177.584 0.082 0.000 1.181 70 A CA 1.480 53.470 52.037 -0.078 0.000 0.623 70 A CB -0.686 18.227 19.000 -0.144 0.000 0.818 70 A HN 0.376 nan 8.150 nan 0.000 0.443 71 Q N -0.277 119.600 119.800 0.128 0.000 2.050 71 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 71 Q C 1.966 178.039 176.000 0.121 0.000 0.980 71 Q CA 1.782 57.660 55.803 0.126 0.000 0.840 71 Q CB -0.128 28.681 28.738 0.119 0.000 0.898 71 Q HN 0.659 nan 8.270 nan 0.000 0.424 72 K N -0.063 120.431 120.400 0.156 0.000 2.147 72 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 72 K C 1.887 178.641 176.600 0.255 0.000 1.049 72 K CA 1.266 57.663 56.287 0.183 0.000 0.936 72 K CB -0.090 32.545 32.500 0.224 0.000 0.722 72 K HN 0.319 nan 8.250 nan 0.000 0.446 73 M N -0.348 119.411 119.600 0.266 0.000 2.619 73 M HA -0.007 4.473 4.480 -0.000 0.000 0.251 73 M C 0.418 176.742 176.300 0.041 0.000 1.106 73 M CA 0.826 56.237 55.300 0.186 0.000 1.086 73 M CB 0.409 32.985 32.600 -0.040 0.000 1.465 73 M HN 0.385 nan 8.290 nan 0.000 0.506 74 G N 1.369 110.206 108.800 0.061 0.000 2.147 74 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.244 74 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.244 74 G C -0.077 174.844 174.900 0.034 0.000 1.005 74 G CA -0.082 45.040 45.100 0.037 0.000 0.713 74 G HN 0.442 nan 8.290 nan 0.000 0.515 75 L N -0.536 120.723 121.223 0.060 0.000 2.417 75 L HA 0.420 4.760 4.340 -0.000 0.000 0.268 75 L C 1.365 178.333 176.870 0.164 0.000 1.158 75 L CA -0.098 54.818 54.840 0.127 0.000 0.819 75 L CB 1.102 43.307 42.059 0.243 0.000 1.112 75 L HN 0.015 nan 8.230 nan 0.000 0.458 76 K N 2.716 123.210 120.400 0.158 0.000 2.477 76 K HA 0.438 4.758 4.320 -0.000 0.000 0.208 76 K C -0.241 176.415 176.600 0.093 0.000 1.117 76 K CA -0.150 56.205 56.287 0.113 0.000 1.039 76 K CB 0.789 33.336 32.500 0.078 0.000 0.937 76 K HN 0.576 nan 8.250 nan 0.000 0.570 77 I N -0.395 120.232 120.570 0.096 0.000 2.827 77 I HA 0.678 4.848 4.170 -0.000 0.000 0.298 77 I C -2.119 173.944 176.117 -0.090 0.000 1.235 77 I CA -1.043 60.269 61.300 0.019 0.000 1.021 77 I CB 2.083 40.044 38.000 -0.065 0.000 1.259 77 I HN 0.126 nan 8.210 nan 0.000 0.427 78 A N 6.396 129.061 122.820 -0.258 0.000 2.486 78 A HA 0.791 5.111 4.320 -0.000 0.000 0.300 78 A C -1.539 175.811 177.584 -0.390 0.000 1.048 78 A CA -0.663 50.980 52.037 -0.657 0.000 0.696 78 A CB 1.959 20.349 19.000 -1.017 0.000 1.278 78 A HN 0.621 nan 8.150 nan 0.000 0.405 79 R N 2.664 122.909 120.500 -0.425 0.000 2.480 79 R HA 0.767 5.107 4.340 -0.000 0.000 0.306 79 R C -1.957 174.268 176.300 -0.125 0.000 0.958 79 R CA -0.351 55.642 56.100 -0.178 0.000 0.861 79 R CB 0.631 30.877 30.300 -0.089 0.000 1.171 79 R HN 0.754 nan 8.270 nan 0.000 0.445 80 L N 3.222 124.466 121.223 0.036 0.000 2.341 80 L HA 0.549 4.889 4.340 -0.000 0.000 0.254 80 L C -0.221 176.760 176.870 0.185 0.000 1.040 80 L CA -1.165 53.750 54.840 0.126 0.000 0.837 80 L CB 2.343 44.528 42.059 0.211 0.000 1.425 80 L HN 0.693 nan 8.230 nan 0.000 0.414 81 N N -0.072 118.783 118.700 0.258 0.000 2.328 81 N HA 0.546 5.286 4.740 -0.000 0.000 0.299 81 N C -0.951 174.746 175.510 0.312 0.000 1.179 81 N CA -0.616 52.602 53.050 0.280 0.000 0.793 81 N CB 2.371 41.064 38.487 0.343 0.000 1.366 81 N HN 0.360 nan 8.380 nan 0.000 0.493 82 V N -1.730 118.315 119.914 0.217 0.000 2.607 82 V HA 0.415 4.535 4.120 -0.000 0.000 0.289 82 V C 0.241 176.601 176.094 0.444 0.000 1.053 82 V CA -0.660 61.664 62.300 0.040 0.000 0.996 82 V CB 0.984 32.717 31.823 -0.150 0.000 0.995 82 V HN 0.584 nan 8.190 nan 0.000 0.476 83 E N 3.715 124.258 120.200 0.573 0.000 2.105 83 E HA 0.057 4.407 4.350 -0.000 0.000 0.285 83 E C 0.301 177.279 176.600 0.629 0.000 1.055 83 E CA -0.335 56.413 56.400 0.580 0.000 0.843 83 E CB 0.964 30.968 29.700 0.507 0.000 1.067 83 E HN 1.003 nan 8.360 nan 0.000 0.398 84 W N 4.211 125.683 121.300 0.287 0.000 2.277 84 W HA -0.341 4.319 4.660 -0.000 0.000 0.327 84 W C 1.966 178.605 176.519 0.202 0.000 1.284 84 W CA 2.630 59.925 57.345 -0.083 0.000 1.277 84 W CB -0.828 28.369 29.460 -0.438 0.000 1.141 84 W HN 0.525 nan 8.180 nan 0.000 0.482 85 S N -0.046 115.886 115.700 0.387 0.000 2.419 85 S HA -0.203 4.267 4.470 -0.000 0.000 0.235 85 S C 1.948 176.726 174.600 0.297 0.000 1.019 85 S CA 1.427 59.783 58.200 0.259 0.000 0.982 85 S CB -0.623 62.679 63.200 0.169 0.000 0.789 85 S HN 0.406 nan 8.310 nan 0.000 0.490 86 R N 0.194 120.901 120.500 0.345 0.000 2.093 86 R HA 0.152 4.492 4.340 -0.000 0.000 0.224 86 R C 2.007 178.493 176.300 0.309 0.000 1.101 86 R CA 1.261 57.527 56.100 0.277 0.000 0.979 86 R CB -0.246 30.243 30.300 0.315 0.000 0.877 86 R HN 0.417 nan 8.270 nan 0.000 0.441 87 I N -0.462 120.355 120.570 0.412 0.000 2.333 87 I HA -0.082 4.088 4.170 -0.000 0.000 0.246 87 I C 0.469 176.485 176.117 -0.168 0.000 1.106 87 I CA 1.213 62.623 61.300 0.183 0.000 1.411 87 I CB -0.329 37.885 38.000 0.358 0.000 1.082 87 I HN -0.056 nan 8.210 nan 0.000 0.420 88 F N 2.642 122.899 119.950 0.511 0.000 2.550 88 F HA 0.364 4.891 4.527 -0.000 0.000 0.348 88 F C -1.578 174.473 175.800 0.419 0.000 1.219 88 F CA -1.938 56.328 58.000 0.442 0.000 1.203 88 F CB 0.385 39.734 39.000 0.581 0.000 1.436 88 F HN -0.101 nan 8.300 nan 0.000 0.541 89 P HA -0.058 nan 4.420 nan 0.000 0.229 89 P C -0.523 176.927 177.300 0.249 0.000 1.160 89 P CA 0.815 64.090 63.100 0.293 0.000 0.777 89 P CB 0.315 32.111 31.700 0.160 0.000 0.814 90 N N 0.969 119.719 118.700 0.083 0.000 2.370 90 N HA 0.329 5.069 4.740 -0.000 0.000 0.303 90 N C -2.735 172.251 175.510 -0.873 0.000 1.103 90 N CA -2.188 50.745 53.050 -0.195 0.000 0.848 90 N CB 0.905 39.365 38.487 -0.045 0.000 1.235 90 N HN -0.023 nan 8.380 nan 0.000 0.496 91 P HA 0.004 nan 4.420 nan 0.000 0.268 91 P C -0.689 175.926 177.300 -1.142 0.000 1.205 91 P CA 0.262 62.414 63.100 -1.580 0.000 0.771 91 P CB 0.774 32.137 31.700 -0.561 0.000 0.858 92 L N 4.894 125.291 121.223 -1.376 0.000 2.375 92 L HA 0.339 4.679 4.340 -0.000 0.000 0.271 92 L C -1.504 175.048 176.870 -0.529 0.000 1.107 92 L CA -2.190 52.108 54.840 -0.903 0.000 0.806 92 L CB 0.365 42.011 42.059 -0.688 0.000 1.146 92 L HN 0.261 nan 8.230 nan 0.000 0.447 93 P HA 0.037 nan 4.420 nan 0.000 0.265 93 P C -0.264 176.959 177.300 -0.130 0.000 1.193 93 P CA -0.186 62.796 63.100 -0.197 0.000 0.765 93 P CB 0.254 31.884 31.700 -0.116 0.000 0.823 94 R N 4.735 125.192 120.500 -0.071 0.000 2.523 94 R HA 0.109 4.449 4.340 -0.000 0.000 0.281 94 R C -1.387 174.882 176.300 -0.050 0.000 0.969 94 R CA -0.505 55.571 56.100 -0.039 0.000 1.093 94 R CB -2.017 nan 30.300 nan 0.000 0.917 94 R HN 0.551 nan 8.270 nan 0.000 0.408 99 D N 4.662 124.671 120.400 -0.652 0.000 2.427 99 D HA 0.208 4.848 4.640 -0.000 0.000 0.226 99 D C 0.645 176.532 176.300 -0.688 0.000 1.076 99 D CA 0.021 53.728 54.000 -0.488 0.000 0.849 99 D CB 1.175 41.807 40.800 -0.279 0.000 1.052 99 D HN 0.708 nan 8.370 nan 0.000 0.515 100 E N 1.673 121.592 120.200 -0.468 0.000 2.472 100 E HA -0.109 4.241 4.350 -0.000 0.000 0.200 100 E C 0.962 177.456 176.600 -0.177 0.000 1.046 100 E CA 0.555 56.773 56.400 -0.303 0.000 0.871 100 E CB 0.345 30.030 29.700 -0.024 0.000 0.806 100 E HN 0.558 nan 8.360 nan 0.000 0.533 101 S N -0.644 114.954 115.700 -0.171 0.000 2.528 101 S HA 0.083 4.553 4.470 -0.000 0.000 0.219 101 S C 1.008 175.547 174.600 -0.102 0.000 0.985 101 S CA 0.068 58.205 58.200 -0.107 0.000 0.914 101 S CB -0.019 63.130 63.200 -0.085 0.000 0.776 101 S HN 0.150 nan 8.310 nan 0.000 0.526 102 K N 1.603 121.916 120.400 -0.146 0.000 2.368 102 K HA 0.323 4.643 4.320 -0.000 0.000 0.282 102 K C 0.805 177.379 176.600 -0.043 0.000 1.035 102 K CA -0.294 55.932 56.287 -0.102 0.000 0.973 102 K CB -0.239 32.180 32.500 -0.135 0.000 0.957 102 K HN 0.443 nan 8.250 nan 0.000 0.474 103 Q N 0.179 119.982 119.800 0.005 0.000 2.083 103 Q HA -0.074 4.266 4.340 -0.000 0.000 0.198 103 Q C -0.335 175.782 176.000 0.195 0.000 0.969 103 Q CA 1.177 57.028 55.803 0.079 0.000 0.838 103 Q CB 0.378 29.135 28.738 0.030 0.000 0.900 103 Q HN 0.856 nan 8.270 nan 0.000 0.436 104 D N -0.278 120.210 120.400 0.146 0.000 2.210 104 D HA 0.197 4.837 4.640 -0.000 0.000 0.249 104 D C -1.030 175.328 176.300 0.097 0.000 1.078 104 D CA -0.160 53.930 54.000 0.150 0.000 0.875 104 D CB 1.922 42.795 40.800 0.122 0.000 1.175 104 D HN -0.201 nan 8.370 nan 0.000 0.440 105 V N 2.489 122.463 119.914 0.099 0.000 2.275 105 V HA 0.149 4.269 4.120 -0.000 0.000 0.272 105 V C 1.312 177.453 176.094 0.078 0.000 1.028 105 V CA -0.379 62.001 62.300 0.134 0.000 0.810 105 V CB 0.829 32.785 31.823 0.222 0.000 1.043 105 V HN 0.764 nan 8.190 nan 0.000 0.453 106 T N 0.375 114.969 114.554 0.066 0.000 3.054 106 T HA 0.169 4.519 4.350 -0.000 0.000 0.259 106 T C 0.461 175.183 174.700 0.037 0.000 1.092 106 T CA 0.351 62.471 62.100 0.034 0.000 1.121 106 T CB 0.597 69.481 68.868 0.026 0.000 0.912 106 T HN 0.597 nan 8.240 nan 0.000 0.489 107 E N -0.090 120.152 120.200 0.070 0.000 2.343 107 E HA 0.546 4.896 4.350 -0.000 0.000 0.278 107 E C -2.203 174.463 176.600 0.110 0.000 0.910 107 E CA -0.861 55.577 56.400 0.063 0.000 0.757 107 E CB 2.626 32.356 29.700 0.050 0.000 1.218 107 E HN 0.013 nan 8.360 nan 0.000 0.435 108 V N 2.194 122.149 119.914 0.067 0.000 2.482 108 V HA 0.456 4.576 4.120 -0.000 0.000 0.295 108 V C -0.200 175.896 176.094 0.004 0.000 1.026 108 V CA -0.305 62.038 62.300 0.072 0.000 0.856 108 V CB 1.087 32.888 31.823 -0.037 0.000 1.001 108 V HN 0.821 nan 8.190 nan 0.000 0.424 109 E N 5.405 125.631 120.200 0.044 0.000 2.223 109 E HA 0.672 5.022 4.350 -0.000 0.000 0.282 109 E C -0.743 175.829 176.600 -0.046 0.000 1.046 109 E CA -0.059 56.343 56.400 0.003 0.000 0.857 109 E CB 1.148 nan 29.700 nan 0.000 1.055 109 E HN 0.681 nan 8.360 nan 0.000 0.409 110 I N 2.839 123.357 120.570 -0.087 0.000 2.499 110 I HA 0.428 4.598 4.170 -0.000 0.000 0.288 110 I C -0.391 175.645 176.117 -0.135 0.000 1.048 110 I CA -0.808 60.411 61.300 -0.135 0.000 1.062 110 I CB 2.193 40.084 38.000 -0.182 0.000 1.238 110 I HN 0.800 nan 8.210 nan 0.000 0.426 111 N N 2.694 121.306 118.700 -0.147 0.000 2.831 111 N HA 0.305 5.045 4.740 -0.000 0.000 0.276 111 N C 0.396 175.777 175.510 -0.215 0.000 1.416 111 N CA -0.926 52.037 53.050 -0.146 0.000 0.799 111 N CB 0.649 39.084 38.487 -0.087 0.000 1.554 111 N HN 0.487 nan 8.380 nan 0.000 0.541 112 E N -0.153 119.936 120.200 -0.186 0.000 2.130 112 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 112 E C 0.608 177.096 176.600 -0.187 0.000 0.998 112 E CA 1.946 58.217 56.400 -0.215 0.000 0.806 112 E CB -0.198 29.462 29.700 -0.067 0.000 0.738 112 E HN 0.562 nan 8.360 nan 0.000 0.459 113 N N 0.252 118.890 118.700 -0.103 0.000 2.171 113 N HA -0.144 4.596 4.740 -0.000 0.000 0.184 113 N C 1.750 177.221 175.510 -0.064 0.000 1.021 113 N CA 1.039 54.058 53.050 -0.052 0.000 0.854 113 N CB -0.269 38.206 38.487 -0.020 0.000 0.994 113 N HN 0.293 nan 8.380 nan 0.000 0.426 114 E N 1.341 121.485 120.200 -0.094 0.000 2.085 114 E HA -0.101 4.248 4.350 -0.000 0.000 0.194 114 E C 2.168 178.692 176.600 -0.127 0.000 0.994 114 E CA 0.617 56.965 56.400 -0.088 0.000 0.801 114 E CB 0.012 29.654 29.700 -0.096 0.000 0.743 114 E HN 0.309 nan 8.360 nan 0.000 0.453 115 L N 0.478 121.531 121.223 -0.284 0.000 2.046 115 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 115 L C 2.546 179.295 176.870 -0.200 0.000 1.077 115 L CA 1.223 55.795 54.840 -0.446 0.000 0.747 115 L CB -0.294 40.987 42.059 -1.296 0.000 0.896 115 L HN 0.017 nan 8.230 nan 0.000 0.432 116 K N -0.318 120.005 120.400 -0.128 0.000 2.147 116 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 116 K C 2.272 178.980 176.600 0.180 0.000 1.049 116 K CA 1.136 57.525 56.287 0.169 0.000 0.936 116 K CB -0.062 32.528 32.500 0.150 0.000 0.722 116 K HN 0.272 nan 8.250 nan 0.000 0.446 117 R N 0.583 121.150 120.500 0.112 0.000 2.073 117 R HA 0.008 4.347 4.340 -0.000 0.000 0.229 117 R C 2.378 178.817 176.300 0.232 0.000 1.120 117 R CA 0.760 56.948 56.100 0.147 0.000 0.967 117 R CB -0.245 30.119 30.300 0.107 0.000 0.862 117 R HN 0.160 nan 8.270 nan 0.000 0.436 118 L N 0.893 122.217 121.223 0.168 0.000 2.042 118 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 118 L C 1.910 178.956 176.870 0.293 0.000 1.076 118 L CA 1.620 56.553 54.840 0.155 0.000 0.749 118 L CB -0.494 41.537 42.059 -0.048 0.000 0.893 118 L HN 0.217 nan 8.230 nan 0.000 0.432 119 D N 0.156 120.788 120.400 0.387 0.000 2.220 119 D HA -0.255 4.385 4.640 -0.000 0.000 0.198 119 D C 2.079 178.566 176.300 0.312 0.000 1.001 119 D CA 1.740 56.043 54.000 0.505 0.000 0.875 119 D CB 0.270 41.430 40.800 0.600 0.000 0.921 119 D HN 0.456 nan 8.370 nan 0.000 0.454 120 E N -1.242 119.100 120.200 0.237 0.000 2.358 120 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 120 E C 1.613 178.208 176.600 -0.008 0.000 1.010 120 E CA 0.613 57.058 56.400 0.075 0.000 0.856 120 E CB -0.936 nan 29.700 nan 0.000 0.795 120 E HN 0.561 nan 8.360 nan 0.000 0.504 121 Y N 0.024 120.425 120.300 0.168 0.000 2.510 121 Y HA 0.485 5.035 4.550 -0.000 0.000 0.273 121 Y C 1.757 177.767 175.900 0.183 0.000 1.119 121 Y CA 0.139 58.356 58.100 0.195 0.000 1.286 121 Y CB 0.434 39.038 38.460 0.241 0.000 1.061 121 Y HN 0.340 nan 8.280 nan 0.000 0.542 122 A N 1.025 123.972 122.820 0.212 0.000 2.425 122 A HA 0.058 4.378 4.320 -0.000 0.000 0.249 122 A C 0.262 177.830 177.584 -0.027 0.000 1.084 122 A CA -0.448 51.473 52.037 -0.194 0.000 0.781 122 A CB -0.035 18.827 19.000 -0.230 0.000 1.019 122 A HN 0.334 nan 8.150 nan 0.000 0.490 123 N N 1.570 120.245 118.700 -0.042 0.000 2.420 123 N HA 0.021 4.761 4.740 -0.000 0.000 0.262 123 N C 0.594 176.163 175.510 0.098 0.000 1.144 123 N CA -0.172 52.913 53.050 0.058 0.000 0.952 123 N CB 0.660 39.199 38.487 0.087 0.000 1.081 123 N HN 0.537 nan 8.380 nan 0.000 0.480 124 K N 2.725 123.180 120.400 0.091 0.000 2.167 124 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 124 K C 0.690 177.355 176.600 0.109 0.000 1.052 124 K CA 0.696 57.041 56.287 0.097 0.000 0.956 124 K CB 0.159 32.700 32.500 0.068 0.000 0.735 124 K HN 0.561 nan 8.250 nan 0.000 0.451 125 D N 1.378 121.843 120.400 0.108 0.000 2.092 125 D HA -0.151 4.489 4.640 -0.000 0.000 0.193 125 D C 1.863 178.276 176.300 0.188 0.000 0.994 125 D CA 1.598 55.672 54.000 0.123 0.000 0.828 125 D CB -0.156 40.711 40.800 0.110 0.000 0.963 125 D HN 0.139 nan 8.370 nan 0.000 0.450 126 A N 0.522 123.482 122.820 0.233 0.000 1.902 126 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 126 A C 2.193 180.017 177.584 0.399 0.000 1.181 126 A CA 1.025 53.272 52.037 0.350 0.000 0.623 126 A CB -0.751 18.448 19.000 0.332 0.000 0.818 126 A HN 0.184 nan 8.150 nan 0.000 0.443 127 L N 0.366 121.802 121.223 0.355 0.000 2.046 127 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 127 L C 2.007 179.048 176.870 0.286 0.000 1.077 127 L CA 2.212 57.290 54.840 0.397 0.000 0.747 127 L CB -0.977 41.230 42.059 0.246 0.000 0.896 127 L HN 0.503 nan 8.230 nan 0.000 0.432 128 N N -2.315 116.475 118.700 0.149 0.000 2.188 128 N HA -0.233 4.507 4.740 -0.000 0.000 0.184 128 N C 1.793 177.284 175.510 -0.033 0.000 1.018 128 N CA 1.004 54.087 53.050 0.055 0.000 0.858 128 N CB -0.144 38.362 38.487 0.031 0.000 0.989 128 N HN 0.429 nan 8.380 nan 0.000 0.426 129 H N -0.338 118.638 119.070 -0.157 0.000 2.293 129 H HA -0.126 4.430 4.556 -0.000 0.000 0.300 129 H C 1.471 176.408 175.328 -0.652 0.000 1.082 129 H CA 1.783 57.544 56.048 -0.479 0.000 1.308 129 H CB -0.092 29.245 29.762 -0.709 0.000 1.375 129 H HN 0.226 nan 8.280 nan 0.000 0.495 130 Y N 0.595 120.677 120.300 -0.362 0.000 2.151 130 Y HA -0.254 4.296 4.550 -0.000 0.000 0.284 130 Y C 2.930 178.291 175.900 -0.898 0.000 1.166 130 Y CA 1.827 59.475 58.100 -0.753 0.000 1.163 130 Y CB -0.577 37.595 38.460 -0.479 0.000 0.974 130 Y HN 0.194 nan 8.280 nan 0.000 0.511 131 R N 0.540 121.016 120.500 -0.039 0.000 2.083 131 R HA -0.215 4.125 4.340 -0.000 0.000 0.237 131 R C 2.027 178.247 176.300 -0.134 0.000 1.137 131 R CA 2.123 58.289 56.100 0.110 0.000 0.951 131 R CB -0.238 30.157 30.300 0.159 0.000 0.851 131 R HN 0.421 nan 8.270 nan 0.000 0.434 132 E N 0.154 120.176 120.200 -0.296 0.000 2.051 132 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 132 E C 2.062 178.383 176.600 -0.465 0.000 0.991 132 E CA 1.724 57.918 56.400 -0.344 0.000 0.799 132 E CB -0.155 29.290 29.700 -0.426 0.000 0.748 132 E HN 0.414 nan 8.360 nan 0.000 0.449 133 I N 0.466 120.503 120.570 -0.888 0.000 2.127 133 I HA -0.272 3.898 4.170 -0.000 0.000 0.241 133 I C 1.982 177.989 176.117 -0.182 0.000 1.075 133 I CA 1.052 61.812 61.300 -0.899 0.000 1.334 133 I CB -0.277 37.115 38.000 -1.014 0.000 1.040 133 I HN 0.077 nan 8.210 nan 0.000 0.405 134 F N 1.114 120.913 119.950 -0.251 0.000 2.293 134 F HA -0.094 4.433 4.527 -0.000 0.000 0.300 134 F C 2.417 178.080 175.800 -0.229 0.000 1.086 134 F CA 0.871 58.673 58.000 -0.329 0.000 1.375 134 F CB -1.058 37.795 39.000 -0.245 0.000 1.045 134 F HN -0.003 nan 8.300 nan 0.000 0.516 135 K N 0.179 120.609 120.400 0.050 0.000 2.031 135 K HA -0.179 4.141 4.320 -0.000 0.000 0.205 135 K C 1.762 178.371 176.600 0.016 0.000 1.049 135 K CA 1.581 57.886 56.287 0.030 0.000 0.939 135 K CB -0.391 32.121 32.500 0.020 0.000 0.717 135 K HN 0.143 nan 8.250 nan 0.000 0.438 136 D N 0.780 121.210 120.400 0.051 0.000 2.149 136 D HA -0.184 4.456 4.640 -0.000 0.000 0.198 136 D C 1.875 178.194 176.300 0.031 0.000 0.990 136 D CA 0.679 54.758 54.000 0.131 0.000 0.839 136 D CB 0.103 41.112 40.800 0.347 0.000 0.948 136 D HN -0.011 nan 8.370 nan 0.000 0.460 137 L N 0.507 121.638 121.223 -0.155 0.000 1.994 137 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 137 L C 1.933 178.672 176.870 -0.219 0.000 1.071 137 L CA 1.675 56.251 54.840 -0.440 0.000 0.745 137 L CB -0.401 41.330 42.059 -0.545 0.000 0.892 137 L HN -0.125 nan 8.230 nan 0.000 0.431 138 K N -0.117 120.189 120.400 -0.155 0.000 2.147 138 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 138 K C 2.350 178.934 176.600 -0.026 0.000 1.049 138 K CA 1.420 57.661 56.287 -0.077 0.000 0.936 138 K CB -0.981 31.495 32.500 -0.040 0.000 0.722 138 K HN 0.631 nan 8.250 nan 0.000 0.446 139 S N 0.808 116.501 115.700 -0.012 0.000 2.474 139 S HA -0.061 4.409 4.470 -0.000 0.000 0.235 139 S C 1.446 176.062 174.600 0.027 0.000 0.997 139 S CA 0.359 58.567 58.200 0.015 0.000 0.949 139 S CB -0.023 63.192 63.200 0.026 0.000 0.766 139 S HN 0.127 nan 8.310 nan 0.000 0.517 140 R N 1.103 121.618 120.500 0.025 0.000 2.313 140 R HA 0.252 4.592 4.340 -0.000 0.000 0.199 140 R C 1.594 177.926 176.300 0.053 0.000 0.958 140 R CA 0.532 56.662 56.100 0.051 0.000 1.047 140 R CB -1.350 28.997 30.300 0.078 0.000 0.955 140 R HN 0.651 nan 8.270 nan 0.000 0.481 141 G N 1.362 110.185 108.800 0.039 0.000 2.147 141 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 141 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 141 G C -0.090 174.849 174.900 0.066 0.000 1.005 141 G CA -0.125 45.007 45.100 0.052 0.000 0.713 141 G HN 0.267 nan 8.290 nan 0.000 0.515 142 L N 0.406 121.655 121.223 0.044 0.000 2.278 142 L HA 0.429 4.769 4.340 -0.000 0.000 0.287 142 L C 0.908 177.810 176.870 0.053 0.000 1.072 142 L CA -1.278 53.593 54.840 0.051 0.000 0.819 142 L CB 0.593 42.659 42.059 0.012 0.000 1.176 142 L HN 0.229 nan 8.230 nan 0.000 0.435 143 Y N 4.069 124.339 120.300 -0.050 0.000 2.712 143 Y HA -0.036 4.514 4.550 -0.000 0.000 0.333 143 Y C -0.368 175.494 175.900 -0.064 0.000 1.225 143 Y CA 0.410 58.471 58.100 -0.065 0.000 1.499 143 Y CB 0.305 38.710 38.460 -0.092 0.000 1.288 143 Y HN 0.362 nan 8.280 nan 0.000 0.575 144 F N 8.069 127.733 119.950 -0.477 0.000 2.403 144 F HA 0.446 4.973 4.527 -0.000 0.000 0.355 144 F C -1.109 174.374 175.800 -0.528 0.000 1.119 144 F CA -2.139 55.582 58.000 -0.464 0.000 1.007 144 F CB 0.184 38.909 39.000 -0.459 0.000 1.194 144 F HN 0.310 nan 8.300 nan 0.000 0.443 145 I N 7.389 127.760 120.570 -0.332 0.000 2.297 145 I HA 0.174 4.344 4.170 -0.000 0.000 0.291 145 I C -0.767 174.949 176.117 -0.668 0.000 1.033 145 I CA -0.872 60.130 61.300 -0.496 0.000 1.253 145 I CB 1.250 39.055 38.000 -0.325 0.000 1.396 145 I HN 0.366 nan 8.210 nan 0.000 0.476 146 L N 7.671 128.297 121.223 -0.994 0.000 2.275 146 L HA 0.413 4.753 4.340 -0.000 0.000 0.288 146 L C -0.293 176.465 176.870 -0.186 0.000 1.046 146 L CA 0.047 54.398 54.840 -0.815 0.000 0.805 146 L CB 1.032 42.425 42.059 -1.109 0.000 1.193 146 L HN 0.505 nan 8.230 nan 0.000 0.426 147 N N 4.325 123.023 118.700 -0.003 0.000 2.430 147 N HA 0.310 5.050 4.740 -0.000 0.000 0.292 147 N C 0.521 176.192 175.510 0.268 0.000 1.051 147 N CA -0.491 52.668 53.050 0.181 0.000 0.917 147 N CB 1.066 39.685 38.487 0.220 0.000 1.164 147 N HN 0.576 nan 8.380 nan 0.000 0.484 148 M N 1.482 121.306 119.600 0.373 0.000 2.388 148 M HA 0.078 4.558 4.480 -0.000 0.000 0.265 148 M C -0.429 176.344 176.300 0.789 0.000 1.088 148 M CA 0.764 56.381 55.300 0.528 0.000 1.134 148 M CB -0.828 32.044 32.600 0.454 0.000 1.384 148 M HN 0.598 nan 8.290 nan 0.000 0.447 149 Y N -0.293 120.324 120.300 0.529 0.000 2.362 149 Y HA 0.334 4.884 4.550 -0.000 0.000 0.326 149 Y C -0.789 175.352 175.900 0.402 0.000 1.083 149 Y CA -1.233 57.165 58.100 0.496 0.000 1.073 149 Y CB 0.809 39.498 38.460 0.382 0.000 1.211 149 Y HN 0.229 nan 8.280 nan 0.000 0.433 150 H N 6.501 125.471 119.070 -0.167 0.000 2.674 150 H HA 0.256 4.812 4.556 -0.000 0.000 0.235 150 H C -0.719 174.361 175.328 -0.413 0.000 1.330 150 H CA -0.117 55.727 56.048 -0.340 0.000 1.052 150 H CB 0.122 29.813 29.762 -0.119 0.000 1.954 150 H HN 0.798 nan 8.280 nan 0.000 0.566 151 W N -3.071 117.685 121.300 -0.907 0.000 0.243 151 W HA -0.188 4.472 4.660 -0.000 0.000 0.214 151 W C -2.345 174.204 176.519 0.049 0.000 0.913 151 W CA 0.281 57.306 57.345 -0.532 0.000 0.324 151 W CB -2.580 26.587 29.460 -0.489 0.000 1.905 151 W HN 0.324 nan 8.180 nan 0.000 1.026 152 P HA 0.288 nan 4.420 nan 0.000 0.268 152 P C 0.104 177.663 177.300 0.432 0.000 1.204 152 P CA 0.683 64.031 63.100 0.413 0.000 0.768 152 P CB 0.330 32.165 31.700 0.226 0.000 0.842 153 L N 5.829 127.206 121.223 0.257 0.000 2.334 153 L HA 0.488 4.828 4.340 -0.000 0.000 0.273 153 L C -2.186 174.542 176.870 -0.237 0.000 1.013 153 L CA -2.851 51.960 54.840 -0.049 0.000 0.816 153 L CB 1.682 43.603 42.059 -0.229 0.000 1.278 153 L HN 0.141 nan 8.230 nan 0.000 0.431 154 P HA -0.037 nan 4.420 nan 0.000 0.263 154 P C 0.816 177.840 177.300 -0.461 0.000 1.175 154 P CA 0.264 63.037 63.100 -0.545 0.000 0.761 154 P CB 0.552 31.567 31.700 -1.141 0.000 0.794 155 L N 2.970 124.089 121.223 -0.174 0.000 2.187 155 L HA -0.144 4.196 4.340 -0.000 0.000 0.213 155 L C 2.080 178.900 176.870 -0.082 0.000 1.100 155 L CA 1.230 56.014 54.840 -0.093 0.000 0.765 155 L CB -0.600 41.465 42.059 0.010 0.000 0.904 155 L HN 0.650 nan 8.230 nan 0.000 0.437 156 W N -0.804 120.428 121.300 -0.115 0.000 2.699 156 W HA -0.067 4.593 4.660 -0.000 0.000 0.249 156 W C 1.247 177.679 176.519 -0.145 0.000 1.280 156 W CA 0.280 57.559 57.345 -0.110 0.000 1.345 156 W CB -0.566 28.837 29.460 -0.095 0.000 1.128 156 W HN 0.179 nan 8.180 nan 0.000 0.642 157 L N -0.477 120.319 121.223 -0.713 0.000 2.556 157 L HA 0.253 4.593 4.340 -0.000 0.000 0.226 157 L C 0.372 177.046 176.870 -0.327 0.000 1.089 157 L CA 0.537 54.978 54.840 -0.665 0.000 0.864 157 L CB -0.171 41.198 42.059 -1.151 0.000 1.067 157 L HN -0.013 nan 8.230 nan 0.000 0.477 158 H N -0.268 118.588 119.070 -0.357 0.000 3.149 158 H HA 0.123 4.679 4.556 -0.000 0.000 0.334 158 H C -1.608 173.635 175.328 -0.141 0.000 1.000 158 H CA -0.688 55.221 56.048 -0.231 0.000 1.415 158 H CB 1.763 31.367 29.762 -0.263 0.000 1.819 158 H HN -0.155 nan 8.280 nan 0.000 0.486 159 D N 7.475 127.831 120.400 -0.073 0.000 2.454 159 D HA 0.144 4.784 4.640 -0.000 0.000 0.225 159 D C -1.755 174.372 176.300 -0.290 0.000 1.081 159 D CA -2.521 51.381 54.000 -0.164 0.000 0.864 159 D CB 1.888 42.656 40.800 -0.054 0.000 1.040 159 D HN 0.351 nan 8.370 nan 0.000 0.517 160 P HA -0.068 nan 4.420 nan 0.000 0.222 160 P C 1.510 178.809 177.300 -0.001 0.000 1.153 160 P CA 0.205 63.027 63.100 -0.463 0.000 0.798 160 P CB 0.652 32.047 31.700 -0.508 0.000 0.796 161 I N 0.159 120.746 120.570 0.029 0.000 2.353 161 I HA -0.065 4.105 4.170 -0.000 0.000 0.248 161 I C 2.739 178.852 176.117 -0.007 0.000 1.119 161 I CA 0.864 62.193 61.300 0.049 0.000 1.417 161 I CB -1.517 36.480 38.000 -0.006 0.000 1.078 161 I HN -0.043 nan 8.210 nan 0.000 0.421 162 R N 0.588 121.059 120.500 -0.050 0.000 2.080 162 R HA -0.136 4.204 4.340 -0.000 0.000 0.236 162 R C 2.424 178.613 176.300 -0.185 0.000 1.137 162 R CA 1.547 57.590 56.100 -0.095 0.000 0.943 162 R CB -0.186 30.062 30.300 -0.086 0.000 0.846 162 R HN 0.158 nan 8.270 nan 0.000 0.431 163 V N 1.082 120.883 119.914 -0.188 0.000 2.343 163 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 163 V C 2.561 178.544 176.094 -0.186 0.000 1.051 163 V CA 1.799 63.892 62.300 -0.346 0.000 1.036 163 V CB -0.683 31.105 31.823 -0.058 0.000 0.654 163 V HN 0.379 nan 8.190 nan 0.000 0.451 164 R N 0.553 121.088 120.500 0.059 0.000 2.103 164 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 164 R C 2.340 178.742 176.300 0.170 0.000 1.142 164 R CA 1.828 58.056 56.100 0.214 0.000 0.960 164 R CB -0.285 30.178 30.300 0.272 0.000 0.858 164 R HN 0.436 nan 8.270 nan 0.000 0.439 165 R N -1.073 119.449 120.500 0.037 0.000 2.339 165 R HA -0.015 4.324 4.340 -0.000 0.000 0.199 165 R C 1.083 177.382 176.300 -0.002 0.000 1.018 165 R CA 0.628 56.736 56.100 0.014 0.000 1.036 165 R CB 0.039 30.322 30.300 -0.029 0.000 0.899 165 R HN 0.584 nan 8.270 nan 0.000 0.473 166 G N 1.405 110.135 108.800 -0.116 0.000 2.132 166 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.234 166 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.234 166 G C -0.551 174.085 174.900 -0.441 0.000 0.989 166 G CA 0.136 45.116 45.100 -0.200 0.000 0.676 166 G HN 0.389 nan 8.290 nan 0.000 0.522 167 D N -0.230 119.854 120.400 -0.525 0.000 2.359 167 D HA 0.542 5.181 4.640 -0.000 0.000 0.230 167 D C 0.548 176.512 176.300 -0.559 0.000 1.118 167 D CA -0.889 52.896 54.000 -0.360 0.000 0.844 167 D CB 0.008 40.700 40.800 -0.180 0.000 1.059 167 D HN 0.055 nan 8.370 nan 0.000 0.493 168 F N 1.483 121.397 119.950 -0.059 0.000 2.668 168 F HA 0.101 4.628 4.527 -0.000 0.000 0.297 168 F C 2.178 177.959 175.800 -0.031 0.000 1.124 168 F CA -0.165 57.798 58.000 -0.062 0.000 1.353 168 F CB 0.297 39.240 39.000 -0.095 0.000 0.992 168 F HN 0.349 nan 8.300 nan 0.000 0.524 169 T N -3.150 111.444 114.554 0.068 0.000 3.100 169 T HA 0.323 4.673 4.350 -0.000 0.000 0.253 169 T C 1.158 175.882 174.700 0.039 0.000 1.118 169 T CA 0.388 62.521 62.100 0.055 0.000 1.058 169 T CB -0.085 68.804 68.868 0.034 0.000 0.953 169 T HN 0.183 nan 8.240 nan 0.000 0.515 170 G N 1.556 110.372 108.800 0.027 0.000 2.795 170 G HA2 0.620 4.580 3.960 -0.000 0.000 0.267 170 G HA3 0.620 4.580 3.960 -0.000 0.000 0.267 170 G C -2.910 172.015 174.900 0.041 0.000 1.362 170 G CA -1.992 43.123 45.100 0.026 0.000 1.048 170 G HN 0.107 nan 8.290 nan 0.000 0.547 171 P HA 0.164 nan 4.420 nan 0.000 0.271 171 P C 0.300 177.640 177.300 0.067 0.000 1.233 171 P CA 0.086 63.202 63.100 0.027 0.000 0.764 171 P CB 1.251 32.956 31.700 0.009 0.000 0.825 172 S N 1.990 117.699 115.700 0.015 0.000 2.663 172 S HA 0.424 4.894 4.470 -0.000 0.000 0.243 172 S C 1.172 175.620 174.600 -0.253 0.000 1.009 172 S CA 0.130 58.342 58.200 0.019 0.000 0.988 172 S CB -0.775 62.476 63.200 0.086 0.000 0.896 172 S HN 0.655 nan 8.310 nan 0.000 0.502 173 G N 1.893 110.442 108.800 -0.418 0.000 2.611 173 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.301 173 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.301 173 G C 0.353 174.923 174.900 -0.550 0.000 1.233 173 G CA 0.385 45.052 45.100 -0.723 0.000 0.993 173 G HN 0.583 nan 8.290 nan 0.000 0.553 174 W N 1.064 122.231 121.300 -0.222 0.000 2.721 174 W HA 0.329 4.989 4.660 -0.000 0.000 0.245 174 W C 2.397 178.859 176.519 -0.094 0.000 1.276 174 W CA 0.385 57.661 57.345 -0.115 0.000 1.342 174 W CB -0.220 29.201 29.460 -0.067 0.000 1.135 174 W HN 0.297 nan 8.180 nan 0.000 0.654 175 L N -0.104 121.141 121.223 0.037 0.000 2.552 175 L HA 0.040 4.380 4.340 -0.000 0.000 0.227 175 L C 1.248 178.133 176.870 0.025 0.000 1.146 175 L CA 0.379 55.220 54.840 0.001 0.000 0.858 175 L CB -0.509 41.532 42.059 -0.029 0.000 0.969 175 L HN -0.228 nan 8.230 nan 0.000 0.451 176 S N -0.922 114.793 115.700 0.026 0.000 2.473 176 S HA 0.224 4.694 4.470 -0.000 0.000 0.307 176 S C 1.183 175.855 174.600 0.119 0.000 1.094 176 S CA -0.365 57.866 58.200 0.052 0.000 1.070 176 S CB 1.422 64.629 63.200 0.013 0.000 1.019 176 S HN 0.299 nan 8.310 nan 0.000 0.480 177 T N 2.893 117.563 114.554 0.194 0.000 2.929 177 T HA -0.131 4.219 4.350 -0.000 0.000 0.271 177 T C 1.736 176.681 174.700 0.409 0.000 1.085 177 T CA 1.105 63.401 62.100 0.327 0.000 1.125 177 T CB -0.355 68.723 68.868 0.350 0.000 0.874 177 T HN 0.643 nan 8.240 nan 0.000 0.494 178 R N 1.572 122.258 120.500 0.310 0.000 2.091 178 R HA -0.085 4.255 4.340 -0.000 0.000 0.238 178 R C 2.316 178.648 176.300 0.053 0.000 1.136 178 R CA 2.094 58.270 56.100 0.128 0.000 0.959 178 R CB -1.207 29.161 30.300 0.113 0.000 0.856 178 R HN 0.436 nan 8.270 nan 0.000 0.437 179 T N -0.232 114.306 114.554 -0.027 0.000 2.788 179 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 179 T C 1.772 176.515 174.700 0.072 0.000 1.044 179 T CA 1.405 63.402 62.100 -0.171 0.000 1.139 179 T CB -0.192 68.344 68.868 -0.552 0.000 0.867 179 T HN 0.036 nan 8.240 nan 0.000 0.454 180 V N 0.564 120.604 119.914 0.210 0.000 2.295 180 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 180 V C 2.023 178.282 176.094 0.274 0.000 1.049 180 V CA 1.669 64.178 62.300 0.349 0.000 1.024 180 V CB -0.750 31.270 31.823 0.329 0.000 0.648 180 V HN 0.515 nan 8.190 nan 0.000 0.447 181 Y N 1.257 121.577 120.300 0.033 0.000 2.145 181 Y HA -0.195 4.355 4.550 -0.000 0.000 0.286 181 Y C 2.609 178.475 175.900 -0.057 0.000 1.145 181 Y CA 1.953 59.970 58.100 -0.137 0.000 1.148 181 Y CB -0.067 37.990 38.460 -0.672 0.000 0.981 181 Y HN 0.250 nan 8.280 nan 0.000 0.507 182 E N -0.510 119.738 120.200 0.080 0.000 2.152 182 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 182 E C 2.036 178.741 176.600 0.175 0.000 0.983 182 E CA 0.881 57.363 56.400 0.137 0.000 0.818 182 E CB -0.673 29.247 29.700 0.366 0.000 0.758 182 E HN 0.547 nan 8.360 nan 0.000 0.467 183 F N 2.031 122.025 119.950 0.074 0.000 2.134 183 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 183 F C 2.268 177.979 175.800 -0.149 0.000 1.097 183 F CA 1.189 59.057 58.000 -0.219 0.000 1.264 183 F CB -0.397 38.621 39.000 0.030 0.000 1.001 183 F HN -0.035 nan 8.300 nan 0.000 0.479 184 A N 0.448 123.145 122.820 -0.204 0.000 1.908 184 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 184 A C 2.356 179.715 177.584 -0.374 0.000 1.181 184 A CA 2.015 53.862 52.037 -0.316 0.000 0.627 184 A CB -0.756 18.122 19.000 -0.203 0.000 0.818 184 A HN 0.440 nan 8.150 nan 0.000 0.445 185 R N -2.136 118.147 120.500 -0.362 0.000 2.075 185 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 185 R C 1.971 178.149 176.300 -0.204 0.000 1.126 185 R CA 1.426 57.336 56.100 -0.316 0.000 0.963 185 R CB -0.439 29.631 30.300 -0.383 0.000 0.858 185 R HN 0.609 nan 8.270 nan 0.000 0.435 186 F N 1.064 120.773 119.950 -0.402 0.000 2.102 186 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 186 F C 2.048 177.688 175.800 -0.267 0.000 1.105 186 F CA 1.663 59.452 58.000 -0.352 0.000 1.239 186 F CB -0.292 38.173 39.000 -0.891 0.000 0.991 186 F HN -0.129 nan 8.300 nan 0.000 0.474 187 S N 0.628 115.967 115.700 -0.602 0.000 2.368 187 S HA -0.104 4.366 4.470 -0.000 0.000 0.224 187 S C 2.345 176.681 174.600 -0.439 0.000 1.029 187 S CA 0.949 58.768 58.200 -0.635 0.000 0.988 187 S CB -0.920 61.844 63.200 -0.727 0.000 0.838 187 S HN 0.548 nan 8.310 nan 0.000 0.462 188 A N 0.744 123.357 122.820 -0.344 0.000 1.908 188 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 188 A C 1.971 179.484 177.584 -0.118 0.000 1.181 188 A CA 1.735 53.623 52.037 -0.248 0.000 0.627 188 A CB -1.028 17.833 19.000 -0.232 0.000 0.818 188 A HN 0.585 nan 8.150 nan 0.000 0.445 189 Y N 0.417 120.614 120.300 -0.172 0.000 2.181 189 Y HA -0.192 4.358 4.550 -0.000 0.000 0.288 189 Y C 2.038 177.996 175.900 0.096 0.000 1.146 189 Y CA 1.631 59.754 58.100 0.039 0.000 1.164 189 Y CB -0.052 38.480 38.460 0.119 0.000 0.982 189 Y HN 0.241 nan 8.280 nan 0.000 0.515 190 I N 0.272 120.790 120.570 -0.086 0.000 2.202 190 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 190 I C 2.679 178.839 176.117 0.072 0.000 1.091 190 I CA 1.447 62.730 61.300 -0.028 0.000 1.368 190 I CB -1.932 35.947 38.000 -0.202 0.000 1.058 190 I HN 0.343 nan 8.210 nan 0.000 0.410 191 A N -0.051 122.735 122.820 -0.058 0.000 1.940 191 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 191 A C 2.208 179.829 177.584 0.063 0.000 1.176 191 A CA 1.693 53.711 52.037 -0.032 0.000 0.631 191 A CB -1.238 17.503 19.000 -0.431 0.000 0.814 191 A HN 0.589 nan 8.150 nan 0.000 0.446 192 W N 0.869 122.042 121.300 -0.212 0.000 2.358 192 W HA -0.118 4.542 4.660 -0.000 0.000 0.303 192 W C 1.949 178.301 176.519 -0.278 0.000 1.208 192 W CA 1.923 59.130 57.345 -0.228 0.000 1.274 192 W CB 0.022 29.322 29.460 -0.267 0.000 1.138 192 W HN 0.138 nan 8.180 nan 0.000 0.515 193 K N -1.043 119.118 120.400 -0.399 0.000 2.167 193 K HA -0.043 4.277 4.320 -0.000 0.000 0.203 193 K C 1.322 177.517 176.600 -0.675 0.000 1.052 193 K CA 1.047 56.891 56.287 -0.738 0.000 0.956 193 K CB -0.574 31.359 32.500 -0.946 0.000 0.735 193 K HN 0.195 nan 8.250 nan 0.000 0.451 194 F N -0.053 119.868 119.950 -0.049 0.000 2.706 194 F HA 0.104 4.631 4.527 -0.000 0.000 0.313 194 F C 1.453 177.277 175.800 0.040 0.000 1.096 194 F CA -0.574 57.457 58.000 0.051 0.000 1.219 194 F CB 0.208 39.304 39.000 0.161 0.000 1.051 194 F HN -0.066 nan 8.300 nan 0.000 0.568 195 D N 1.119 121.617 120.400 0.164 0.000 2.228 195 D HA -0.219 4.421 4.640 -0.000 0.000 0.203 195 D C 1.946 178.278 176.300 0.054 0.000 0.988 195 D CA 1.861 55.946 54.000 0.142 0.000 0.864 195 D CB 0.002 40.878 40.800 0.126 0.000 0.928 195 D HN 0.336 nan 8.370 nan 0.000 0.469 196 D N -0.197 120.225 120.400 0.036 0.000 2.264 196 D HA -0.163 4.477 4.640 -0.000 0.000 0.208 196 D C 1.981 178.306 176.300 0.042 0.000 0.966 196 D CA 0.621 54.632 54.000 0.019 0.000 0.864 196 D CB -0.364 40.435 40.800 -0.003 0.000 0.933 196 D HN 0.378 nan 8.370 nan 0.000 0.499 197 L N 0.214 121.499 121.223 0.104 0.000 2.515 197 L HA 0.160 4.499 4.340 -0.000 0.000 0.223 197 L C 0.652 177.575 176.870 0.088 0.000 1.079 197 L CA -0.060 54.867 54.840 0.146 0.000 0.857 197 L CB 0.623 42.870 42.059 0.313 0.000 1.050 197 L HN -0.168 nan 8.230 nan 0.000 0.476 198 V N 0.450 120.307 119.914 -0.096 0.000 2.607 198 V HA 0.081 4.201 4.120 -0.000 0.000 0.289 198 V C 0.519 176.318 176.094 -0.491 0.000 1.053 198 V CA -0.179 61.835 62.300 -0.478 0.000 0.996 198 V CB 1.803 33.108 31.823 -0.865 0.000 0.995 198 V HN 0.156 nan 8.190 nan 0.000 0.476 199 D N 1.718 121.733 120.400 -0.642 0.000 2.369 199 D HA 0.152 4.792 4.640 -0.000 0.000 0.231 199 D C 0.413 176.391 176.300 -0.536 0.000 0.967 199 D CA 0.698 54.297 54.000 -0.669 0.000 0.905 199 D CB 0.959 40.983 40.800 -1.293 0.000 1.044 199 D HN 0.692 nan 8.370 nan 0.000 0.487 200 E N -0.757 119.093 120.200 -0.582 0.000 2.429 200 E HA 0.433 4.783 4.350 -0.000 0.000 0.276 200 E C -1.375 175.011 176.600 -0.356 0.000 0.953 200 E CA -0.696 55.531 56.400 -0.288 0.000 0.787 200 E CB 2.167 31.785 29.700 -0.136 0.000 1.307 200 E HN -0.079 nan 8.360 nan 0.000 0.458 201 Y N 0.045 120.448 120.300 0.170 0.000 2.485 201 Y HA 0.454 5.003 4.550 -0.000 0.000 0.345 201 Y C 0.035 176.136 175.900 0.336 0.000 0.998 201 Y CA -0.629 57.541 58.100 0.118 0.000 1.059 201 Y CB 2.462 40.932 38.460 0.018 0.000 1.234 201 Y HN 0.362 nan 8.280 nan 0.000 0.461 202 S N -0.192 115.736 115.700 0.380 0.000 2.526 202 S HA 0.331 4.801 4.470 -0.000 0.000 0.293 202 S C 0.692 175.435 174.600 0.239 0.000 1.092 202 S CA -0.056 58.270 58.200 0.212 0.000 0.980 202 S CB 1.032 64.340 63.200 0.180 0.000 1.048 202 S HN 0.833 nan 8.310 nan 0.000 0.483 203 T N 2.048 116.750 114.554 0.246 0.000 2.770 203 T HA 0.167 4.517 4.350 -0.000 0.000 0.263 203 T C 0.913 175.918 174.700 0.508 0.000 1.039 203 T CA 1.020 63.351 62.100 0.385 0.000 1.142 203 T CB -0.536 68.630 68.868 0.496 0.000 0.868 203 T HN 0.819 nan 8.240 nan 0.000 0.435 204 M N -0.337 119.474 119.600 0.352 0.000 2.644 204 M HA 0.628 5.108 4.480 -0.000 0.000 0.273 204 M C -1.988 174.410 176.300 0.163 0.000 1.253 204 M CA -1.091 54.418 55.300 0.348 0.000 0.852 204 M CB 2.048 34.859 32.600 0.351 0.000 1.708 204 M HN -0.032 nan 8.290 nan 0.000 0.471 205 N N 0.351 119.102 118.700 0.085 0.000 2.407 205 N HA 0.318 5.058 4.740 -0.000 0.000 0.277 205 N C -1.200 174.308 175.510 -0.004 0.000 0.995 205 N CA -0.072 52.911 53.050 -0.112 0.000 0.903 205 N CB 1.199 39.345 38.487 -0.569 0.000 1.218 205 N HN 0.856 nan 8.380 nan 0.000 0.487 206 E N 1.561 121.736 120.200 -0.041 0.000 2.210 206 E HA -0.176 4.174 4.350 -0.000 0.000 0.201 206 E C -1.746 174.773 176.600 -0.135 0.000 1.339 206 E CA 0.090 56.433 56.400 -0.094 0.000 0.699 206 E CB -0.660 29.090 29.700 0.084 0.000 1.126 206 E HN 0.667 nan 8.360 nan 0.000 0.355 207 P HA -0.233 nan 4.420 nan 0.000 0.218 207 P C 1.142 178.245 177.300 -0.328 0.000 1.149 207 P CA 1.572 64.528 63.100 -0.239 0.000 0.817 207 P CB -0.037 31.543 31.700 -0.200 0.000 0.785 208 N N 0.509 118.898 118.700 -0.519 0.000 2.205 208 N HA -0.101 4.639 4.740 -0.000 0.000 0.186 208 N C 1.576 176.898 175.510 -0.314 0.000 1.015 208 N CA 1.219 54.026 53.050 -0.405 0.000 0.862 208 N CB -1.615 36.491 38.487 -0.634 0.000 0.986 208 N HN 0.087 nan 8.380 nan 0.000 0.429 209 V N 0.698 120.378 119.914 -0.391 0.000 2.488 209 V HA -0.080 4.040 4.120 -0.000 0.000 0.246 209 V C 2.649 178.451 176.094 -0.487 0.000 1.046 209 V CA 0.659 62.700 62.300 -0.432 0.000 1.053 209 V CB -0.271 31.295 31.823 -0.429 0.000 0.679 209 V HN 0.092 nan 8.190 nan 0.000 0.458 210 V N 1.266 120.864 119.914 -0.526 0.000 2.252 210 V HA -0.243 3.877 4.120 -0.000 0.000 0.249 210 V C 2.589 178.610 176.094 -0.122 0.000 1.056 210 V CA 2.516 64.580 62.300 -0.393 0.000 1.022 210 V CB -1.374 30.282 31.823 -0.280 0.000 0.641 210 V HN 0.604 nan 8.190 nan 0.000 0.445 211 G N -0.776 107.992 108.800 -0.054 0.000 2.408 211 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.215 211 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.215 211 G C 1.558 176.540 174.900 0.137 0.000 1.156 211 G CA 0.797 45.983 45.100 0.144 0.000 0.793 211 G HN 0.588 nan 8.290 nan 0.000 0.535 212 G N 1.055 109.844 108.800 -0.018 0.000 2.434 212 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.214 212 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.214 212 G C 1.743 176.586 174.900 -0.095 0.000 1.202 212 G CA 0.650 45.725 45.100 -0.042 0.000 0.788 212 G HN 0.372 nan 8.290 nan 0.000 0.539 213 L N 0.819 121.896 121.223 -0.243 0.000 2.179 213 L HA 0.098 4.438 4.340 -0.000 0.000 0.208 213 L C 3.149 179.878 176.870 -0.235 0.000 1.096 213 L CA 0.712 55.348 54.840 -0.340 0.000 0.779 213 L CB -0.650 40.936 42.059 -0.789 0.000 0.922 213 L HN 0.338 nan 8.230 nan 0.000 0.443 214 G N -0.519 108.141 108.800 -0.232 0.000 2.442 214 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 214 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 214 G C 1.031 175.560 174.900 -0.618 0.000 1.141 214 G CA 0.879 45.694 45.100 -0.476 0.000 0.763 214 G HN 0.417 nan 8.290 nan 0.000 0.554 215 Y N -1.948 118.355 120.300 0.004 0.000 2.563 215 Y HA 0.381 4.931 4.550 -0.000 0.000 0.250 215 Y C 1.684 177.609 175.900 0.042 0.000 1.126 215 Y CA -0.296 57.842 58.100 0.064 0.000 1.231 215 Y CB 0.874 39.398 38.460 0.105 0.000 1.288 215 Y HN 0.039 nan 8.280 nan 0.000 0.537 216 V N -1.869 118.118 119.914 0.121 0.000 3.278 216 V HA 0.271 4.391 4.120 -0.000 0.000 0.215 216 V C 1.678 177.785 176.094 0.022 0.000 1.287 216 V CA 0.581 62.942 62.300 0.101 0.000 1.302 216 V CB -0.530 31.396 31.823 0.173 0.000 1.228 216 V HN 0.188 nan 8.190 nan 0.000 0.523 217 G N 1.726 110.509 108.800 -0.028 0.000 3.090 217 G HA2 0.248 4.208 3.960 -0.000 0.000 0.259 217 G HA3 0.248 4.208 3.960 -0.000 0.000 0.259 217 G C 1.115 175.973 174.900 -0.070 0.000 0.797 217 G CA 0.676 45.736 45.100 -0.067 0.000 2.032 217 G HN 0.509 nan 8.290 nan 0.000 0.614 218 V N -1.142 118.754 119.914 -0.029 0.000 2.759 218 V HA -0.010 4.110 4.120 -0.000 0.000 0.256 218 V C 2.250 178.372 176.094 0.047 0.000 1.080 218 V CA 1.323 63.624 62.300 0.000 0.000 1.101 218 V CB -0.331 31.491 31.823 -0.002 0.000 0.698 218 V HN 0.428 nan 8.190 nan 0.000 0.477 219 K N 1.090 121.510 120.400 0.033 0.000 2.362 219 K HA 0.005 4.325 4.320 -0.000 0.000 0.200 219 K C 2.176 178.833 176.600 0.095 0.000 1.046 219 K CA 1.246 57.570 56.287 0.062 0.000 0.952 219 K CB -0.226 32.303 32.500 0.048 0.000 0.753 219 K HN 0.531 nan 8.250 nan 0.000 0.466 220 S N 0.218 115.950 115.700 0.053 0.000 2.507 220 S HA -0.024 4.446 4.470 -0.000 0.000 0.235 220 S C 1.142 175.945 174.600 0.339 0.000 0.988 220 S CA 0.817 59.065 58.200 0.079 0.000 0.944 220 S CB -0.084 62.971 63.200 -0.240 0.000 0.762 220 S HN 0.606 nan 8.310 nan 0.000 0.526 221 G N 1.287 110.294 108.800 0.345 0.000 2.295 221 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.287 221 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.287 221 G C -0.239 175.065 174.900 0.673 0.000 1.055 221 G CA -0.199 45.222 45.100 0.536 0.000 0.922 221 G HN 0.347 nan 8.290 nan 0.000 0.503 222 F N 1.127 121.044 119.950 -0.055 0.000 2.399 222 F HA 0.522 5.049 4.527 -0.000 0.000 0.334 222 F C -1.245 173.826 175.800 -1.216 0.000 1.097 222 F CA -3.107 54.574 58.000 -0.531 0.000 1.076 222 F CB 1.651 40.442 39.000 -0.347 0.000 1.162 222 F HN -0.059 nan 8.300 nan 0.000 0.495 223 P HA 0.126 nan 4.420 nan 0.000 0.271 223 P C -2.395 174.308 177.300 -0.995 0.000 1.218 223 P CA -1.315 60.502 63.100 -2.139 0.000 0.780 223 P CB 0.902 31.485 31.700 -1.862 0.000 0.901 224 P HA 0.070 nan 4.420 nan 0.000 0.262 224 P C 0.779 177.876 177.300 -0.339 0.000 1.304 224 P CA 0.378 63.119 63.100 -0.599 0.000 0.859 224 P CB -0.222 31.442 31.700 -0.060 0.000 1.310 225 G N 0.257 108.824 108.800 -0.389 0.000 2.273 225 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.280 225 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.280 225 G C -0.599 174.362 174.900 0.101 0.000 1.047 225 G CA -0.088 45.005 45.100 -0.013 0.000 0.869 225 G HN 0.482 nan 8.290 nan 0.000 0.502 226 Y N -0.100 120.171 120.300 -0.048 0.000 2.369 226 Y HA 0.588 5.138 4.550 -0.000 0.000 0.337 226 Y C 0.252 176.240 175.900 0.146 0.000 0.961 226 Y CA -1.670 56.495 58.100 0.108 0.000 1.186 226 Y CB 0.986 39.595 38.460 0.247 0.000 1.139 226 Y HN 0.240 nan 8.280 nan 0.000 0.494 227 L N 6.323 127.353 121.223 -0.323 0.000 2.385 227 L HA 0.441 4.781 4.340 -0.000 0.000 0.281 227 L C -0.537 176.207 176.870 -0.210 0.000 1.106 227 L CA 0.397 55.115 54.840 -0.204 0.000 0.856 227 L CB 0.139 42.053 42.059 -0.242 0.000 1.186 227 L HN 0.607 nan 8.230 nan 0.000 0.453 228 S N 4.297 119.999 115.700 0.003 0.000 2.550 228 S HA 0.294 4.764 4.470 -0.000 0.000 0.274 228 S C 0.660 175.340 174.600 0.133 0.000 1.110 228 S CA -0.599 57.628 58.200 0.045 0.000 1.013 228 S CB -0.046 63.320 63.200 0.277 0.000 1.152 228 S HN 0.385 nan 8.310 nan 0.000 0.450 229 F N 2.796 122.758 119.950 0.020 0.000 2.095 229 F HA -0.016 4.511 4.527 -0.000 0.000 0.298 229 F C 2.492 178.267 175.800 -0.041 0.000 1.104 229 F CA 1.902 59.891 58.000 -0.018 0.000 1.232 229 F CB -0.610 38.365 39.000 -0.041 0.000 0.987 229 F HN 0.816 nan 8.300 nan 0.000 0.475 230 E N 0.440 120.736 120.200 0.160 0.000 2.051 230 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 230 E C 2.284 178.862 176.600 -0.037 0.000 0.991 230 E CA 1.153 57.573 56.400 0.033 0.000 0.799 230 E CB -0.250 29.451 29.700 0.002 0.000 0.748 230 E HN 0.371 nan 8.360 nan 0.000 0.449 231 L N 0.456 121.653 121.223 -0.044 0.000 2.201 231 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 231 L C 2.765 179.425 176.870 -0.350 0.000 1.105 231 L CA 0.841 55.565 54.840 -0.193 0.000 0.775 231 L CB -0.391 41.578 42.059 -0.150 0.000 0.913 231 L HN 0.170 nan 8.230 nan 0.000 0.440 232 S N 0.127 115.739 115.700 -0.148 0.000 2.356 232 S HA -0.185 4.285 4.470 -0.000 0.000 0.223 232 S C 2.163 176.725 174.600 -0.063 0.000 1.032 232 S CA 1.198 59.350 58.200 -0.080 0.000 1.005 232 S CB -0.045 63.236 63.200 0.134 0.000 0.867 232 S HN 0.320 nan 8.310 nan 0.000 0.449 233 R N 0.485 120.958 120.500 -0.046 0.000 2.083 233 R HA -0.076 4.264 4.340 -0.000 0.000 0.237 233 R C 2.776 179.076 176.300 0.001 0.000 1.137 233 R CA 1.675 57.748 56.100 -0.044 0.000 0.951 233 R CB -0.401 29.850 30.300 -0.082 0.000 0.851 233 R HN 0.405 nan 8.270 nan 0.000 0.434 234 R N 0.576 121.044 120.500 -0.053 0.000 2.073 234 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 234 R C 2.155 178.479 176.300 0.039 0.000 1.134 234 R CA 1.586 57.678 56.100 -0.013 0.000 0.952 234 R CB -0.271 29.980 30.300 -0.081 0.000 0.850 234 R HN 0.235 nan 8.270 nan 0.000 0.433 235 A N 0.974 123.744 122.820 -0.083 0.000 1.908 235 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 235 A C 2.144 179.757 177.584 0.048 0.000 1.181 235 A CA 1.544 53.571 52.037 -0.017 0.000 0.627 235 A CB -0.354 18.555 19.000 -0.151 0.000 0.818 235 A HN 0.275 nan 8.150 nan 0.000 0.445 236 M N -2.262 117.393 119.600 0.091 0.000 2.200 236 M HA -0.033 4.447 4.480 -0.000 0.000 0.265 236 M C 2.095 178.531 176.300 0.226 0.000 1.066 236 M CA 1.093 56.510 55.300 0.195 0.000 1.127 236 M CB -1.479 31.348 32.600 0.378 0.000 1.379 236 M HN 0.606 nan 8.290 nan 0.000 0.420 237 Y N 1.991 122.357 120.300 0.109 0.000 2.128 237 Y HA -0.262 4.288 4.550 -0.000 0.000 0.284 237 Y C 2.143 178.074 175.900 0.051 0.000 1.154 237 Y CA 1.847 59.996 58.100 0.082 0.000 1.149 237 Y CB -0.432 38.058 38.460 0.050 0.000 0.976 237 Y HN 0.298 nan 8.280 nan 0.000 0.505 238 N N 0.442 119.211 118.700 0.115 0.000 2.120 238 N HA -0.211 4.528 4.740 -0.000 0.000 0.188 238 N C 2.044 177.556 175.510 0.004 0.000 1.024 238 N CA 1.734 54.842 53.050 0.097 0.000 0.852 238 N CB -0.597 38.046 38.487 0.261 0.000 1.003 238 N HN 0.501 nan 8.380 nan 0.000 0.424 239 I N 0.635 121.104 120.570 -0.168 0.000 2.394 239 I HA -0.159 4.011 4.170 -0.000 0.000 0.251 239 I C 1.818 177.795 176.117 -0.234 0.000 1.136 239 I CA 0.624 61.626 61.300 -0.497 0.000 1.425 239 I CB 0.078 37.588 38.000 -0.817 0.000 1.079 239 I HN 0.038 nan 8.210 nan 0.000 0.425 240 I N 0.303 120.759 120.570 -0.189 0.000 2.142 240 I HA -0.359 3.811 4.170 -0.000 0.000 0.240 240 I C 2.488 178.474 176.117 -0.218 0.000 1.078 240 I CA 1.508 62.629 61.300 -0.298 0.000 1.343 240 I CB -0.422 37.312 38.000 -0.443 0.000 1.046 240 I HN 0.284 nan 8.210 nan 0.000 0.405 241 Q N 0.448 120.100 119.800 -0.246 0.000 2.096 241 Q HA -0.237 4.103 4.340 -0.000 0.000 0.204 241 Q C 2.427 178.414 176.000 -0.021 0.000 0.982 241 Q CA 1.808 57.511 55.803 -0.166 0.000 0.850 241 Q CB -0.377 28.261 28.738 -0.166 0.000 0.901 241 Q HN 0.611 nan 8.270 nan 0.000 0.422 242 A N 0.743 123.598 122.820 0.057 0.000 1.930 242 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 242 A C 1.822 179.551 177.584 0.242 0.000 1.175 242 A CA 1.836 54.014 52.037 0.235 0.000 0.627 242 A CB -0.733 18.465 19.000 0.330 0.000 0.815 242 A HN 0.512 nan 8.150 nan 0.000 0.443 243 H N 0.066 119.166 119.070 0.050 0.000 2.321 243 H HA 0.064 4.620 4.556 -0.000 0.000 0.300 243 H C 2.103 177.453 175.328 0.037 0.000 1.087 243 H CA 2.058 58.150 56.048 0.074 0.000 1.319 243 H CB -0.379 29.354 29.762 -0.048 0.000 1.379 243 H HN 0.341 nan 8.280 nan 0.000 0.501 244 A N 0.685 123.337 122.820 -0.281 0.000 1.908 244 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 244 A C 2.400 179.884 177.584 -0.167 0.000 1.181 244 A CA 1.791 53.647 52.037 -0.301 0.000 0.627 244 A CB -0.476 18.413 19.000 -0.186 0.000 0.818 244 A HN 0.333 nan 8.150 nan 0.000 0.445 245 R N -0.255 120.193 120.500 -0.087 0.000 2.115 245 R HA 0.066 4.406 4.340 -0.000 0.000 0.230 245 R C 2.235 178.471 176.300 -0.107 0.000 1.111 245 R CA 1.325 57.391 56.100 -0.057 0.000 0.976 245 R CB -1.112 29.187 30.300 -0.001 0.000 0.870 245 R HN 0.501 nan 8.270 nan 0.000 0.445 246 A N -0.988 121.760 122.820 -0.119 0.000 1.968 246 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 246 A C 2.029 179.484 177.584 -0.216 0.000 1.169 246 A CA 1.058 52.957 52.037 -0.231 0.000 0.638 246 A CB -0.673 18.181 19.000 -0.244 0.000 0.812 246 A HN 0.429 nan 8.150 nan 0.000 0.446 247 Y N 1.355 121.446 120.300 -0.349 0.000 2.114 247 Y HA -0.235 4.315 4.550 -0.000 0.000 0.284 247 Y C 1.879 177.648 175.900 -0.219 0.000 1.143 247 Y CA 2.138 60.054 58.100 -0.307 0.000 1.135 247 Y CB -0.220 37.999 38.460 -0.402 0.000 0.980 247 Y HN 0.347 nan 8.280 nan 0.000 0.499 248 D N -0.219 120.203 120.400 0.037 0.000 2.123 248 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 248 D C 2.379 178.591 176.300 -0.147 0.000 0.992 248 D CA 1.567 55.547 54.000 -0.033 0.000 0.833 248 D CB -1.041 39.754 40.800 -0.008 0.000 0.954 248 D HN 0.548 nan 8.370 nan 0.000 0.455 249 G N 0.920 109.610 108.800 -0.183 0.000 2.491 249 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 249 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 249 G C 1.811 176.549 174.900 -0.270 0.000 1.180 249 G CA 0.711 45.675 45.100 -0.227 0.000 0.774 249 G HN 0.291 nan 8.290 nan 0.000 0.562 250 I N 0.292 120.653 120.570 -0.349 0.000 2.226 250 I HA -0.106 4.064 4.170 -0.000 0.000 0.245 250 I C 2.558 178.462 176.117 -0.355 0.000 1.100 250 I CA 0.944 61.982 61.300 -0.436 0.000 1.374 250 I CB -0.062 37.565 38.000 -0.621 0.000 1.057 250 I HN -0.030 nan 8.210 nan 0.000 0.413 251 K N 0.707 120.890 120.400 -0.361 0.000 2.362 251 K HA -0.078 4.242 4.320 -0.000 0.000 0.200 251 K C 2.194 178.698 176.600 -0.160 0.000 1.046 251 K CA 1.453 57.573 56.287 -0.278 0.000 0.952 251 K CB -0.483 31.819 32.500 -0.331 0.000 0.753 251 K HN 0.445 nan 8.250 nan 0.000 0.466 252 S N -0.591 115.016 115.700 -0.155 0.000 2.489 252 S HA -0.023 4.447 4.470 -0.000 0.000 0.228 252 S C 1.669 176.216 174.600 -0.089 0.000 0.995 252 S CA 0.546 58.680 58.200 -0.110 0.000 0.934 252 S CB 0.136 63.264 63.200 -0.120 0.000 0.771 252 S HN -0.012 nan 8.310 nan 0.000 0.522 253 V N 0.119 119.974 119.914 -0.097 0.000 3.502 253 V HA 0.436 4.556 4.120 -0.000 0.000 0.288 253 V C 0.431 176.520 176.094 -0.009 0.000 1.461 253 V CA 0.329 62.612 62.300 -0.027 0.000 1.029 253 V CB 0.596 32.421 31.823 0.004 0.000 0.843 253 V HN 0.500 nan 8.190 nan 0.000 0.438 254 S N -0.812 114.855 115.700 -0.054 0.000 2.541 254 S HA 0.332 4.802 4.470 -0.000 0.000 0.271 254 S C 0.215 174.805 174.600 -0.016 0.000 1.133 254 S CA -0.369 57.826 58.200 -0.009 0.000 0.876 254 S CB 2.317 65.528 63.200 0.018 0.000 1.105 254 S HN -0.093 nan 8.310 nan 0.000 0.470 255 K N 1.694 122.110 120.400 0.026 0.000 2.367 255 K HA 0.284 4.604 4.320 -0.000 0.000 0.194 255 K C 0.352 176.989 176.600 0.062 0.000 1.027 255 K CA 0.221 56.525 56.287 0.029 0.000 1.075 255 K CB -0.165 32.355 32.500 0.034 0.000 0.845 255 K HN 0.610 nan 8.250 nan 0.000 0.529 256 K N 1.418 121.880 120.400 0.103 0.000 2.219 256 K HA 0.188 4.508 4.320 -0.000 0.000 0.258 256 K C -2.658 174.063 176.600 0.203 0.000 1.008 256 K CA -1.908 54.466 56.287 0.145 0.000 0.928 256 K CB 0.182 32.765 32.500 0.139 0.000 0.983 256 K HN -0.061 nan 8.250 nan 0.000 0.484 257 P HA 0.003 nan 4.420 nan 0.000 0.268 257 P C -1.128 176.468 177.300 0.494 0.000 1.204 257 P CA -0.087 63.251 63.100 0.395 0.000 0.768 257 P CB 0.579 32.570 31.700 0.485 0.000 0.842 258 V N 3.479 123.634 119.914 0.403 0.000 2.444 258 V HA 0.721 4.841 4.120 -0.000 0.000 0.294 258 V C 0.710 176.889 176.094 0.142 0.000 1.022 258 V CA -0.144 62.332 62.300 0.293 0.000 0.850 258 V CB 1.465 33.243 31.823 -0.075 0.000 0.992 258 V HN 0.782 nan 8.190 nan 0.000 0.426 259 G N 3.572 112.189 108.800 -0.306 0.000 3.262 259 G HA2 0.874 4.834 3.960 -0.000 0.000 0.229 259 G HA3 0.874 4.834 3.960 -0.000 0.000 0.229 259 G C -1.325 173.231 174.900 -0.573 0.000 1.280 259 G CA -0.612 43.873 45.100 -1.025 0.000 0.951 259 G HN 0.614 nan 8.290 nan 0.000 0.589 260 I N -0.836 119.303 120.570 -0.718 0.000 2.913 260 I HA 0.546 4.716 4.170 -0.000 0.000 0.302 260 I C -1.532 174.429 176.117 -0.260 0.000 1.246 260 I CA -1.114 59.981 61.300 -0.341 0.000 1.010 260 I CB 2.543 40.340 38.000 -0.338 0.000 1.259 260 I HN 0.319 nan 8.210 nan 0.000 0.434 261 I N 5.783 126.318 120.570 -0.059 0.000 2.406 261 I HA 0.359 4.529 4.170 -0.000 0.000 0.290 261 I C -1.537 174.654 176.117 0.123 0.000 0.999 261 I CA -0.543 60.791 61.300 0.056 0.000 1.124 261 I CB 1.807 39.853 38.000 0.077 0.000 1.289 261 I HN 0.402 nan 8.210 nan 0.000 0.441 262 Y N 4.781 125.097 120.300 0.026 0.000 2.499 262 Y HA 0.717 5.267 4.550 -0.000 0.000 0.347 262 Y C -0.204 175.726 175.900 0.049 0.000 0.987 262 Y CA -0.970 57.139 58.100 0.015 0.000 1.044 262 Y CB 2.007 40.582 38.460 0.192 0.000 1.245 262 Y HN 0.565 nan 8.280 nan 0.000 0.461 263 A N 5.422 128.057 122.820 -0.309 0.000 2.350 263 A HA 0.394 4.714 4.320 -0.000 0.000 0.293 263 A C -0.757 176.818 177.584 -0.015 0.000 1.231 263 A CA -0.462 51.485 52.037 -0.151 0.000 0.883 263 A CB -0.384 18.468 19.000 -0.246 0.000 1.133 263 A HN 0.749 nan 8.150 nan 0.000 0.533 264 N N 0.951 119.737 118.700 0.142 0.000 2.384 264 N HA 0.545 5.285 4.740 -0.000 0.000 0.301 264 N C -0.698 174.858 175.510 0.077 0.000 1.133 264 N CA -0.259 52.913 53.050 0.204 0.000 0.853 264 N CB 1.996 40.683 38.487 0.333 0.000 1.241 264 N HN 0.574 nan 8.380 nan 0.000 0.502 265 S N -0.407 115.267 115.700 -0.043 0.000 2.568 265 S HA 0.383 4.853 4.470 -0.000 0.000 0.293 265 S C -0.842 173.594 174.600 -0.274 0.000 1.089 265 S CA -0.650 57.410 58.200 -0.233 0.000 0.945 265 S CB 1.326 64.206 63.200 -0.533 0.000 1.077 265 S HN 0.419 nan 8.310 nan 0.000 0.485 266 S N 3.089 118.771 115.700 -0.031 0.000 2.430 266 S HA 0.533 5.003 4.470 -0.000 0.000 0.289 266 S C -1.080 173.370 174.600 -0.250 0.000 1.143 266 S CA -0.546 57.638 58.200 -0.027 0.000 1.067 266 S CB -0.677 62.665 63.200 0.236 0.000 0.964 266 S HN 0.477 nan 8.310 nan 0.000 0.485 267 F N 4.218 124.154 119.950 -0.023 0.000 2.420 267 F HA 0.443 4.970 4.527 -0.000 0.000 0.352 267 F C 1.010 176.764 175.800 -0.078 0.000 1.108 267 F CA -0.286 57.664 58.000 -0.083 0.000 1.162 267 F CB 0.966 39.882 39.000 -0.139 0.000 1.118 267 F HN 0.387 nan 8.300 nan 0.000 0.510 268 Q N 4.887 124.694 119.800 0.011 0.000 2.375 268 Q HA 0.372 4.712 4.340 -0.000 0.000 0.271 268 Q C -2.725 173.233 176.000 -0.069 0.000 1.074 268 Q CA -2.245 53.532 55.803 -0.044 0.000 0.808 268 Q CB 2.535 31.171 28.738 -0.171 0.000 1.327 268 Q HN 0.262 nan 8.270 nan 0.000 0.441 269 P HA 0.055 nan 4.420 nan 0.000 0.281 269 P C 0.594 177.836 177.300 -0.097 0.000 1.252 269 P CA -0.384 62.684 63.100 -0.054 0.000 0.778 269 P CB 1.041 32.728 31.700 -0.020 0.000 0.895 270 L N 3.786 124.940 121.223 -0.114 0.000 1.989 270 L HA -0.060 4.280 4.340 -0.000 0.000 0.211 270 L C 1.046 177.875 176.870 -0.068 0.000 1.071 270 L CA 2.498 57.253 54.840 -0.141 0.000 0.749 270 L CB -0.957 41.038 42.059 -0.107 0.000 0.890 270 L HN 0.570 nan 8.230 nan 0.000 0.431 271 T N -4.538 109.996 114.554 -0.033 0.000 2.910 271 T HA 0.346 4.696 4.350 -0.000 0.000 0.287 271 T C 0.454 175.152 174.700 -0.003 0.000 1.050 271 T CA -0.069 62.026 62.100 -0.009 0.000 1.011 271 T CB 1.157 70.026 68.868 0.002 0.000 1.195 271 T HN 0.286 nan 8.240 nan 0.000 0.540 272 D N -0.611 119.793 120.400 0.006 0.000 2.378 272 D HA -0.072 4.568 4.640 -0.000 0.000 0.222 272 D C 1.424 177.728 176.300 0.007 0.000 0.980 272 D CA 0.597 54.603 54.000 0.009 0.000 0.907 272 D CB -0.293 40.516 40.800 0.014 0.000 0.899 272 D HN 0.528 nan 8.370 nan 0.000 0.527 273 K N -0.233 120.170 120.400 0.005 0.000 2.437 273 K HA 0.102 4.422 4.320 -0.000 0.000 0.198 273 K C 0.256 176.857 176.600 0.003 0.000 1.024 273 K CA -0.065 56.225 56.287 0.005 0.000 1.148 273 K CB -0.525 31.979 32.500 0.007 0.000 0.860 273 K HN 0.163 nan 8.250 nan 0.000 0.515 274 D N 0.191 120.590 120.400 -0.002 0.000 2.501 274 D HA 0.214 4.854 4.640 -0.000 0.000 0.224 274 D C 1.051 177.341 176.300 -0.016 0.000 1.202 274 D CA -0.184 53.812 54.000 -0.007 0.000 0.829 274 D CB 0.553 41.347 40.800 -0.011 0.000 1.023 274 D HN 0.172 nan 8.370 nan 0.000 0.499 275 M N 0.476 120.070 119.600 -0.010 0.000 2.159 275 M HA -0.109 4.371 4.480 -0.000 0.000 0.263 275 M C 1.982 178.267 176.300 -0.026 0.000 1.063 275 M CA 1.297 56.590 55.300 -0.011 0.000 1.110 275 M CB -0.612 31.988 32.600 0.001 0.000 1.374 275 M HN 0.128 nan 8.290 nan 0.000 0.411 276 E N -0.173 120.013 120.200 -0.024 0.000 2.106 276 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 276 E C 1.951 178.508 176.600 -0.072 0.000 0.984 276 E CA 1.092 57.472 56.400 -0.033 0.000 0.806 276 E CB 0.130 29.821 29.700 -0.015 0.000 0.750 276 E HN 0.446 nan 8.360 nan 0.000 0.458 277 A N 0.462 123.241 122.820 -0.068 0.000 1.940 277 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 277 A C 2.364 179.768 177.584 -0.301 0.000 1.176 277 A CA 1.279 53.240 52.037 -0.127 0.000 0.631 277 A CB -0.606 18.383 19.000 -0.017 0.000 0.814 277 A HN 0.212 nan 8.150 nan 0.000 0.446 278 V N -0.102 119.702 119.914 -0.183 0.000 2.295 278 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 278 V C 2.441 178.382 176.094 -0.255 0.000 1.049 278 V CA 2.437 64.630 62.300 -0.180 0.000 1.024 278 V CB -0.799 30.997 31.823 -0.045 0.000 0.648 278 V HN 0.663 nan 8.190 nan 0.000 0.447 279 E N -0.457 119.647 120.200 -0.160 0.000 2.051 279 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 279 E C 2.240 178.731 176.600 -0.180 0.000 0.991 279 E CA 1.645 57.983 56.400 -0.105 0.000 0.799 279 E CB -0.244 29.440 29.700 -0.027 0.000 0.748 279 E HN 0.536 nan 8.360 nan 0.000 0.449 280 M N 0.279 119.729 119.600 -0.251 0.000 2.108 280 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 280 M C 2.484 178.463 176.300 -0.535 0.000 1.066 280 M CA 1.504 56.638 55.300 -0.276 0.000 1.107 280 M CB -0.263 32.228 32.600 -0.181 0.000 1.356 280 M HN 0.146 nan 8.290 nan 0.000 0.406 281 A N 0.372 122.578 122.820 -1.023 0.000 1.902 281 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 281 A C 1.936 178.862 177.584 -1.097 0.000 1.181 281 A CA 1.856 53.125 52.037 -1.281 0.000 0.623 281 A CB -0.699 17.394 19.000 -1.510 0.000 0.818 281 A HN 0.537 nan 8.150 nan 0.000 0.443 282 E N -0.075 119.610 120.200 -0.858 0.000 2.077 282 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 282 E C 1.838 178.111 176.600 -0.545 0.000 0.989 282 E CA 1.076 57.029 56.400 -0.745 0.000 0.800 282 E CB -0.181 29.172 29.700 -0.578 0.000 0.746 282 E HN 0.547 nan 8.360 nan 0.000 0.452 283 N N 1.231 119.826 118.700 -0.175 0.000 2.043 283 N HA -0.155 4.585 4.740 -0.000 0.000 0.193 283 N C 1.331 176.951 175.510 0.182 0.000 1.037 283 N CA 1.345 54.475 53.050 0.132 0.000 0.851 283 N CB -0.347 38.218 38.487 0.131 0.000 1.027 283 N HN 0.149 nan 8.380 nan 0.000 0.422 284 D N 0.142 120.561 120.400 0.030 0.000 2.224 284 D HA -0.003 4.637 4.640 -0.000 0.000 0.205 284 D C 1.027 177.465 176.300 0.231 0.000 0.965 284 D CA 0.709 54.748 54.000 0.065 0.000 0.852 284 D CB -0.131 40.688 40.800 0.033 0.000 0.947 284 D HN 0.327 nan 8.370 nan 0.000 0.494 285 N N -0.520 118.281 118.700 0.168 0.000 2.227 285 N HA 0.095 4.835 4.740 -0.000 0.000 0.196 285 N C 1.411 177.160 175.510 0.398 0.000 1.142 285 N CA 0.040 53.274 53.050 0.307 0.000 0.887 285 N CB 1.762 40.376 38.487 0.211 0.000 1.022 285 N HN 0.122 nan 8.380 nan 0.000 0.500 286 R N -0.616 119.998 120.500 0.190 0.000 3.749 286 R HA 0.150 4.490 4.340 -0.000 0.000 0.142 286 R C 1.056 177.474 176.300 0.197 0.000 0.750 286 R CA -0.107 56.007 56.100 0.023 0.000 1.004 286 R CB -0.213 29.767 30.300 -0.533 0.000 1.509 286 R HN -0.004 nan 8.270 nan 0.000 0.494 287 W N 1.733 123.141 121.300 0.181 0.000 2.388 287 W HA -0.166 4.494 4.660 -0.000 0.000 0.294 287 W C 2.080 178.719 176.519 0.200 0.000 1.212 287 W CA 0.293 57.757 57.345 0.197 0.000 1.271 287 W CB -0.301 29.222 29.460 0.105 0.000 1.126 287 W HN 0.397 nan 8.180 nan 0.000 0.535 288 W N 0.533 122.048 121.300 0.358 0.000 2.338 288 W HA -0.277 4.383 4.660 -0.000 0.000 0.304 288 W C 1.779 178.412 176.519 0.191 0.000 1.212 288 W CA 1.088 58.568 57.345 0.224 0.000 1.264 288 W CB -1.845 27.712 29.460 0.161 0.000 1.142 288 W HN 0.022 nan 8.180 nan 0.000 0.512 289 F N 0.690 119.897 119.950 -1.237 0.000 2.128 289 F HA -0.029 4.498 4.527 -0.000 0.000 0.295 289 F C 2.248 177.561 175.800 -0.811 0.000 1.100 289 F CA 1.821 58.949 58.000 -1.452 0.000 1.260 289 F CB -1.000 37.140 39.000 -1.433 0.000 1.009 289 F HN -0.275 nan 8.300 nan 0.000 0.476 290 F N 0.729 120.556 119.950 -0.205 0.000 2.259 290 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 290 F C 2.159 177.775 175.800 -0.306 0.000 1.088 290 F CA 1.212 59.066 58.000 -0.243 0.000 1.358 290 F CB -0.688 38.273 39.000 -0.066 0.000 1.040 290 F HN -0.065 nan 8.300 nan 0.000 0.505 291 D N 0.226 120.671 120.400 0.075 0.000 2.144 291 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 291 D C 2.332 178.570 176.300 -0.104 0.000 0.984 291 D CA 1.302 55.329 54.000 0.046 0.000 0.834 291 D CB -0.541 40.347 40.800 0.147 0.000 0.955 291 D HN 0.223 nan 8.370 nan 0.000 0.465 292 A N 1.138 123.825 122.820 -0.221 0.000 1.851 292 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 292 A C 2.262 179.640 177.584 -0.344 0.000 1.195 292 A CA 1.748 53.611 52.037 -0.289 0.000 0.622 292 A CB -0.851 17.889 19.000 -0.433 0.000 0.831 292 A HN 0.422 nan 8.150 nan 0.000 0.444 293 I N -3.977 116.294 120.570 -0.499 0.000 3.419 293 I HA 0.175 4.345 4.170 -0.000 0.000 0.286 293 I C 1.705 177.628 176.117 -0.323 0.000 1.268 293 I CA 0.756 61.803 61.300 -0.421 0.000 1.414 293 I CB -0.031 37.641 38.000 -0.547 0.000 1.074 293 I HN 0.223 nan 8.210 nan 0.000 0.457 294 I N 0.700 121.088 120.570 -0.304 0.000 3.194 294 I HA 0.104 4.274 4.170 -0.000 0.000 0.271 294 I C 2.143 178.161 176.117 -0.165 0.000 1.150 294 I CA 0.357 61.504 61.300 -0.256 0.000 1.440 294 I CB 0.120 37.895 38.000 -0.375 0.000 1.276 294 I HN 0.009 nan 8.210 nan 0.000 0.457 295 R N 0.565 120.988 120.500 -0.127 0.000 2.397 295 R HA 0.274 4.614 4.340 -0.000 0.000 0.241 295 R C 1.211 177.469 176.300 -0.070 0.000 0.914 295 R CA 0.578 56.638 56.100 -0.067 0.000 1.071 295 R CB 0.819 31.110 30.300 -0.014 0.000 1.116 295 R HN 0.388 nan 8.270 nan 0.000 0.524 296 G N 1.793 110.531 108.800 -0.104 0.000 2.175 296 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.265 296 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.265 296 G C -0.287 174.583 174.900 -0.051 0.000 0.979 296 G CA 0.288 45.335 45.100 -0.089 0.000 0.663 296 G HN 0.425 nan 8.290 nan 0.000 0.533 297 E N -0.198 119.982 120.200 -0.033 0.000 2.180 297 E HA 0.658 5.008 4.350 -0.000 0.000 0.283 297 E C 0.140 176.764 176.600 0.040 0.000 1.061 297 E CA -0.088 56.319 56.400 0.011 0.000 0.861 297 E CB 1.510 31.227 29.700 0.028 0.000 1.056 297 E HN 0.472 nan 8.360 nan 0.000 0.407 298 I N 1.451 122.063 120.570 0.069 0.000 3.102 298 I HA 0.271 4.441 4.170 -0.000 0.000 0.310 298 I C -1.124 175.069 176.117 0.127 0.000 1.246 298 I CA -0.507 60.874 61.300 0.134 0.000 0.979 298 I CB 2.683 40.770 38.000 0.144 0.000 1.267 298 I HN 0.328 nan 8.210 nan 0.000 0.451 299 T N 4.941 119.582 114.554 0.146 0.000 2.779 299 T HA 0.494 4.844 4.350 -0.000 0.000 0.280 299 T C -0.476 174.231 174.700 0.013 0.000 0.987 299 T CA -0.418 61.719 62.100 0.062 0.000 0.966 299 T CB 1.315 70.199 68.868 0.027 0.000 0.933 299 T HN 0.502 nan 8.240 nan 0.000 0.442 304 K N 1.286 121.685 120.400 -0.001 0.000 2.316 304 K HA 0.837 5.157 4.320 -0.000 0.000 0.267 304 K C 0.066 176.677 176.600 0.017 0.000 1.025 304 K CA 0.063 56.359 56.287 0.015 0.000 0.896 304 K CB -0.290 nan 32.500 nan 0.000 1.124 304 K HN 1.603 nan 8.250 nan 0.000 0.451 305 I N -2.076 118.510 120.570 0.027 0.000 3.294 305 I HA 0.805 4.975 4.170 -0.000 0.000 0.311 305 I C -0.537 175.592 176.117 0.021 0.000 1.111 305 I CA -1.399 59.913 61.300 0.021 0.000 0.976 305 I CB 2.398 40.411 38.000 0.022 0.000 1.260 305 I HN 0.140 nan 8.210 nan 0.000 0.474 306 V N 2.049 121.969 119.914 0.010 0.000 2.378 306 V HA 0.511 4.631 4.120 -0.000 0.000 0.288 306 V C -0.137 175.955 176.094 -0.004 0.000 1.016 306 V CA -0.451 61.849 62.300 -0.001 0.000 0.840 306 V CB 1.133 32.952 31.823 -0.008 0.000 0.994 306 V HN 0.596 nan 8.190 nan 0.000 0.431 307 R N 2.789 123.282 120.500 -0.012 0.000 2.229 307 R HA 0.316 4.656 4.340 -0.000 0.000 0.332 307 R C 0.222 176.500 176.300 -0.036 0.000 0.989 307 R CA -0.570 55.521 56.100 -0.016 0.000 0.842 307 R CB 1.204 31.496 30.300 -0.013 0.000 1.119 307 R HN 0.684 nan 8.270 nan 0.000 0.456 308 D N 1.737 122.120 120.400 -0.028 0.000 2.219 308 D HA -0.167 4.473 4.640 -0.000 0.000 0.205 308 D C 1.056 177.329 176.300 -0.045 0.000 0.970 308 D CA 1.288 55.267 54.000 -0.034 0.000 0.851 308 D CB 0.260 41.047 40.800 -0.022 0.000 0.943 308 D HN 0.651 nan 8.370 nan 0.000 0.488 309 D N 0.295 120.670 120.400 -0.042 0.000 2.348 309 D HA -0.102 4.538 4.640 -0.000 0.000 0.216 309 D C 2.003 178.250 176.300 -0.088 0.000 0.970 309 D CA 0.258 54.227 54.000 -0.051 0.000 0.889 309 D CB -0.123 40.657 40.800 -0.033 0.000 0.912 309 D HN 0.279 nan 8.370 nan 0.000 0.524 310 L N -0.337 120.823 121.223 -0.104 0.000 2.357 310 L HA 0.107 4.447 4.340 -0.000 0.000 0.211 310 L C 1.483 178.249 176.870 -0.173 0.000 1.075 310 L CA -0.196 54.554 54.840 -0.151 0.000 0.830 310 L CB -0.122 41.844 42.059 -0.155 0.000 0.996 310 L HN -0.147 nan 8.230 nan 0.000 0.467 311 K N 0.974 121.294 120.400 -0.133 0.000 2.489 311 K HA 0.057 4.377 4.320 -0.000 0.000 0.278 311 K C 0.962 177.463 176.600 -0.164 0.000 1.000 311 K CA 0.922 57.131 56.287 -0.131 0.000 1.012 311 K CB 0.343 32.792 32.500 -0.085 0.000 0.903 311 K HN 0.260 nan 8.250 nan 0.000 0.485 312 G N 3.263 111.956 108.800 -0.179 0.000 2.179 312 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 312 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 312 G C 0.081 174.761 174.900 -0.367 0.000 1.010 312 G CA 0.395 45.379 45.100 -0.194 0.000 0.736 312 G HN 0.602 nan 8.290 nan 0.000 0.513 313 R N -0.748 119.449 120.500 -0.505 0.000 4.394 313 R HA 0.676 5.016 4.340 -0.000 0.000 0.257 313 R C -0.256 175.503 176.300 -0.900 0.000 1.727 313 R CA -0.211 55.257 56.100 -1.054 0.000 1.497 313 R CB -0.102 29.767 30.300 -0.719 0.000 1.406 313 R HN 0.419 nan 8.270 nan 0.000 0.745 314 L N -0.595 120.280 121.223 -0.581 0.000 2.641 314 L HA 0.290 4.630 4.340 -0.000 0.000 0.261 314 L C -0.557 176.329 176.870 0.026 0.000 0.926 314 L CA -0.016 54.736 54.840 -0.147 0.000 0.917 314 L CB 2.174 44.143 42.059 -0.151 0.000 1.361 314 L HN 0.099 nan 8.230 nan 0.000 0.417 315 D N 3.166 123.672 120.400 0.177 0.000 2.324 315 D HA 0.137 4.777 4.640 -0.000 0.000 0.212 315 D C -0.464 175.902 176.300 0.110 0.000 0.984 315 D CA 1.022 55.163 54.000 0.236 0.000 0.885 315 D CB 0.452 41.505 40.800 0.422 0.000 0.996 315 D HN 0.498 nan 8.370 nan 0.000 0.505 316 W N 0.188 121.390 121.300 -0.163 0.000 3.146 316 W HA 0.536 5.196 4.660 -0.000 0.000 0.319 316 W C -2.045 174.372 176.519 -0.171 0.000 1.258 316 W CA -0.973 56.117 57.345 -0.425 0.000 1.189 316 W CB 0.241 29.171 29.460 -0.883 0.000 1.412 316 W HN -0.398 nan 8.180 nan 0.000 0.567 317 I N 2.332 122.914 120.570 0.020 0.000 2.378 317 I HA 0.460 4.630 4.170 -0.000 0.000 0.291 317 I C 0.727 176.932 176.117 0.148 0.000 0.992 317 I CA -0.660 60.559 61.300 -0.136 0.000 1.154 317 I CB 1.905 39.631 38.000 -0.457 0.000 1.315 317 I HN 0.606 nan 8.210 nan 0.000 0.448 318 G N 6.079 114.931 108.800 0.086 0.000 2.327 318 G HA2 0.475 4.435 3.960 -0.000 0.000 0.302 318 G HA3 0.475 4.435 3.960 -0.000 0.000 0.302 318 G C -0.512 174.490 174.900 0.169 0.000 1.113 318 G CA -0.258 45.049 45.100 0.346 0.000 0.921 318 G HN 0.355 nan 8.290 nan 0.000 0.425 319 V N 4.128 124.146 119.914 0.174 0.000 2.364 319 V HA 0.189 4.309 4.120 -0.000 0.000 0.272 319 V C -0.414 175.789 176.094 0.182 0.000 1.036 319 V CA -1.036 61.362 62.300 0.164 0.000 0.880 319 V CB 0.861 32.785 31.823 0.169 0.000 0.991 319 V HN 0.610 nan 8.190 nan 0.000 0.460 320 N N 4.188 122.993 118.700 0.175 0.000 2.426 320 N HA 0.460 5.200 4.740 -0.000 0.000 0.275 320 N C -1.066 174.517 175.510 0.121 0.000 1.019 320 N CA -0.290 52.818 53.050 0.096 0.000 0.941 320 N CB 1.387 39.928 38.487 0.090 0.000 1.123 320 N HN 0.716 nan 8.380 nan 0.000 0.486 321 Y N 1.933 122.130 120.300 -0.172 0.000 2.421 321 Y HA 0.350 4.899 4.550 -0.000 0.000 0.339 321 Y C -0.859 174.851 175.900 -0.318 0.000 0.996 321 Y CA -0.596 57.448 58.100 -0.093 0.000 1.046 321 Y CB 0.877 39.366 38.460 0.049 0.000 1.226 321 Y HN 0.552 nan 8.280 nan 0.000 0.445 322 Y N 1.934 121.768 120.300 -0.777 0.000 2.701 322 Y HA 0.370 4.920 4.550 -0.000 0.000 0.275 322 Y C 0.908 176.504 175.900 -0.507 0.000 1.133 322 Y CA 0.624 58.504 58.100 -0.367 0.000 1.241 322 Y CB 1.259 39.663 38.460 -0.093 0.000 1.389 322 Y HN 0.620 nan 8.280 nan 0.000 0.486 323 T N -0.298 113.802 114.554 -0.757 0.000 2.677 323 T HA 0.355 4.705 4.350 -0.000 0.000 0.305 323 T C -1.567 173.059 174.700 -0.123 0.000 1.569 323 T CA -1.008 60.986 62.100 -0.177 0.000 0.984 323 T CB 1.055 69.960 68.868 0.062 0.000 1.629 323 T HN 0.182 nan 8.240 nan 0.000 0.494 324 R N 0.422 120.936 120.500 0.023 0.000 2.541 324 R HA 0.776 5.116 4.340 -0.000 0.000 0.263 324 R C -1.055 175.085 176.300 -0.267 0.000 1.112 324 R CA -0.490 55.527 56.100 -0.139 0.000 1.170 324 R CB 0.498 30.484 30.300 -0.523 0.000 1.167 324 R HN 0.529 nan 8.270 nan 0.000 0.582 325 T N 0.924 115.263 114.554 -0.359 0.000 2.937 325 T HA 0.278 4.628 4.350 -0.000 0.000 0.297 325 T C -0.814 173.770 174.700 -0.192 0.000 0.991 325 T CA -0.635 61.290 62.100 -0.291 0.000 0.990 325 T CB 1.713 70.380 68.868 -0.335 0.000 0.991 325 T HN 0.362 nan 8.240 nan 0.000 0.440 326 V N 4.612 124.413 119.914 -0.189 0.000 2.465 326 V HA 0.597 4.717 4.120 -0.000 0.000 0.279 326 V C 0.360 176.401 176.094 -0.088 0.000 1.045 326 V CA -0.507 61.648 62.300 -0.243 0.000 0.938 326 V CB 1.194 32.659 31.823 -0.597 0.000 0.986 326 V HN 0.765 nan 8.190 nan 0.000 0.467 327 V N 2.883 122.776 119.914 -0.035 0.000 2.864 327 V HA 0.876 4.996 4.120 -0.000 0.000 0.314 327 V C -0.666 175.439 176.094 0.018 0.000 1.073 327 V CA -1.050 61.283 62.300 0.054 0.000 0.956 327 V CB 1.875 33.758 31.823 0.099 0.000 1.023 327 V HN 0.966 nan 8.190 nan 0.000 0.435 328 K N 1.523 121.963 120.400 0.066 0.000 2.435 328 K HA 0.663 4.983 4.320 -0.000 0.000 0.251 328 K C -0.554 176.097 176.600 0.085 0.000 0.954 328 K CA -1.051 55.264 56.287 0.046 0.000 0.820 328 K CB 2.148 34.664 32.500 0.026 0.000 1.292 328 K HN 0.536 nan 8.250 nan 0.000 0.436 329 R N 1.356 121.890 120.500 0.057 0.000 2.570 329 R HA 0.195 4.535 4.340 -0.000 0.000 0.277 329 R C -0.644 175.684 176.300 0.047 0.000 1.039 329 R CA 0.293 56.431 56.100 0.062 0.000 1.065 329 R CB 0.729 31.050 30.300 0.035 0.000 0.964 329 R HN 0.851 nan 8.270 nan 0.000 0.428 330 T N 2.147 116.728 114.554 0.044 0.000 2.940 330 T HA 0.321 4.671 4.350 -0.000 0.000 0.288 330 T C 1.395 176.101 174.700 0.009 0.000 1.045 330 T CA 0.051 62.159 62.100 0.014 0.000 1.018 330 T CB 1.629 70.490 68.868 -0.012 0.000 1.151 330 T HN 0.593 nan 8.240 nan 0.000 0.529 331 E N 0.756 120.956 120.200 -0.001 0.000 2.038 331 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 331 E C 2.306 178.900 176.600 -0.010 0.000 1.000 331 E CA 2.203 58.601 56.400 -0.004 0.000 0.803 331 E CB -1.341 28.355 29.700 -0.006 0.000 0.750 331 E HN 0.709 nan 8.360 nan 0.000 0.448 332 K N -0.353 120.033 120.400 -0.023 0.000 2.283 332 K HA 0.387 4.707 4.320 -0.000 0.000 0.202 332 K C 1.897 178.473 176.600 -0.039 0.000 1.048 332 K CA 1.933 58.197 56.287 -0.037 0.000 0.948 332 K CB -0.267 32.200 32.500 -0.055 0.000 0.742 332 K HN 1.168 nan 8.250 nan 0.000 0.458 333 G N -1.946 106.840 108.800 -0.023 0.000 2.033 333 G HA2 0.323 4.283 3.960 -0.000 0.000 0.088 333 G HA3 0.323 4.283 3.960 -0.000 0.000 0.088 333 G C -0.734 174.227 174.900 0.102 0.000 0.790 333 G CA 0.289 45.404 45.100 0.025 0.000 1.131 333 G HN 1.105 nan 8.290 nan 0.000 0.361 334 Y N -0.165 120.106 120.300 -0.047 0.000 2.581 334 Y HA 0.769 5.319 4.550 -0.000 0.000 0.337 334 Y C -0.697 175.182 175.900 -0.036 0.000 1.108 334 Y CA -1.086 56.989 58.100 -0.042 0.000 1.033 334 Y CB 1.570 39.996 38.460 -0.056 0.000 1.318 334 Y HN 1.114 nan 8.280 nan 0.000 0.459 335 V N -0.551 119.381 119.914 0.030 0.000 2.914 335 V HA 0.791 4.911 4.120 -0.000 0.000 0.314 335 V C -0.424 175.751 176.094 0.135 0.000 1.084 335 V CA -0.917 61.369 62.300 -0.024 0.000 0.963 335 V CB 1.493 33.296 31.823 -0.033 0.000 1.025 335 V HN 0.915 nan 8.190 nan 0.000 0.432 336 S N 3.156 118.924 115.700 0.112 0.000 2.586 336 S HA 0.723 5.193 4.470 -0.000 0.000 0.274 336 S C -0.326 174.311 174.600 0.061 0.000 1.281 336 S CA -0.460 57.809 58.200 0.114 0.000 1.035 336 S CB 0.865 64.133 63.200 0.115 0.000 0.962 336 S HN 0.640 nan 8.310 nan 0.000 0.512 337 L N 2.215 123.476 121.223 0.062 0.000 2.307 337 L HA 0.528 4.868 4.340 -0.000 0.000 0.284 337 L C 1.040 177.990 176.870 0.134 0.000 1.023 337 L CA -0.688 54.220 54.840 0.113 0.000 0.810 337 L CB 1.018 43.181 42.059 0.172 0.000 1.231 337 L HN 0.758 nan 8.230 nan 0.000 0.423 338 G N 0.585 109.436 108.800 0.085 0.000 2.544 338 G HA2 0.397 4.357 3.960 -0.000 0.000 0.242 338 G HA3 0.397 4.357 3.960 -0.000 0.000 0.242 338 G C 0.896 175.807 174.900 0.017 0.000 1.247 338 G CA 0.463 45.588 45.100 0.042 0.000 0.840 338 G HN 1.027 nan 8.290 nan 0.000 0.578 339 G N -0.765 107.997 108.800 -0.064 0.000 2.175 339 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 339 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 339 G C 0.075 174.709 174.900 -0.442 0.000 0.982 339 G CA 0.789 45.742 45.100 -0.245 0.000 0.641 339 G HN 0.866 nan 8.290 nan 0.000 0.527 340 Y N -0.888 119.392 120.300 -0.032 0.000 2.634 340 Y HA 0.585 5.135 4.550 -0.000 0.000 0.340 340 Y C 1.396 177.236 175.900 -0.101 0.000 1.058 340 Y CA 0.035 58.103 58.100 -0.053 0.000 1.081 340 Y CB 1.083 39.487 38.460 -0.093 0.000 1.295 340 Y HN 1.104 nan 8.280 nan 0.000 0.487 341 G N 1.054 109.905 108.800 0.086 0.000 2.629 341 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.313 341 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.313 341 G C 0.844 175.738 174.900 -0.010 0.000 1.217 341 G CA 0.857 45.935 45.100 -0.035 0.000 0.994 341 G HN 1.180 nan 8.290 nan 0.000 0.549 342 H N 1.754 120.741 119.070 -0.139 0.000 2.539 342 H HA 0.333 4.889 4.556 -0.000 0.000 0.267 342 H C 1.672 177.018 175.328 0.030 0.000 0.982 342 H CA 0.978 56.890 56.048 -0.225 0.000 1.146 342 H CB -0.140 29.185 29.762 -0.728 0.000 1.382 342 H HN 0.842 nan 8.280 nan 0.000 0.577 343 G N 1.273 110.016 108.800 -0.095 0.000 4.125 343 G HA2 0.311 4.271 3.960 -0.000 0.000 0.301 343 G HA3 0.311 4.271 3.960 -0.000 0.000 0.301 343 G C -0.397 174.541 174.900 0.064 0.000 1.273 343 G CA -0.233 44.875 45.100 0.013 0.000 1.095 343 G HN 0.314 nan 8.290 nan 0.000 0.582 344 C N -0.369 119.009 119.300 0.130 0.000 2.423 344 C HA 0.522 4.982 4.460 -0.000 0.000 0.378 344 C C 0.581 175.646 174.990 0.124 0.000 1.244 344 C CA -0.970 58.109 59.018 0.101 0.000 1.978 344 C CB 1.658 29.469 27.740 0.119 0.000 2.252 344 C HN 0.526 nan 8.230 nan 0.000 0.526 345 E N 0.575 120.828 120.200 0.088 0.000 2.383 345 E HA 0.152 4.502 4.350 -0.000 0.000 0.264 345 E C -0.234 176.432 176.600 0.109 0.000 1.050 345 E CA 0.071 56.525 56.400 0.090 0.000 0.896 345 E CB 0.506 30.244 29.700 0.064 0.000 0.982 345 E HN 0.410 nan 8.360 nan 0.000 0.424 346 R N 2.126 122.687 120.500 0.102 0.000 2.537 346 R HA 0.029 4.369 4.340 -0.000 0.000 0.280 346 R C -0.173 176.171 176.300 0.073 0.000 1.058 346 R CA 0.031 56.183 56.100 0.087 0.000 1.057 346 R CB -0.093 30.245 30.300 0.063 0.000 0.973 346 R HN 0.630 nan 8.270 nan 0.000 0.438 347 N N 0.168 118.914 118.700 0.076 0.000 2.696 347 N HA -0.238 4.502 4.740 -0.000 0.000 0.256 347 N C -0.859 174.704 175.510 0.088 0.000 1.031 347 N CA 1.001 54.099 53.050 0.079 0.000 0.730 347 N CB -0.418 38.104 38.487 0.060 0.000 0.894 347 N HN 0.585 nan 8.380 nan 0.000 0.544 348 S N -1.332 114.432 115.700 0.107 0.000 3.341 348 S HA 0.810 5.280 4.470 -0.000 0.000 0.326 348 S C -1.268 173.405 174.600 0.120 0.000 1.178 348 S CA -0.101 58.167 58.200 0.114 0.000 1.002 348 S CB 1.034 64.289 63.200 0.091 0.000 1.385 348 S HN 0.563 nan 8.310 nan 0.000 0.710 349 V N 1.282 121.251 119.914 0.092 0.000 2.914 349 V HA 0.910 5.030 4.120 -0.000 0.000 0.314 349 V C 0.136 176.248 176.094 0.030 0.000 1.084 349 V CA -0.262 62.073 62.300 0.059 0.000 0.963 349 V CB 1.127 32.949 31.823 -0.002 0.000 1.025 349 V HN 1.055 nan 8.190 nan 0.000 0.432 350 S N 2.942 118.661 115.700 0.032 0.000 2.634 350 S HA 0.381 4.851 4.470 -0.000 0.000 0.261 350 S C 1.009 175.528 174.600 -0.136 0.000 1.271 350 S CA -0.333 57.837 58.200 -0.050 0.000 0.985 350 S CB 0.473 63.680 63.200 0.011 0.000 0.968 350 S HN 0.828 nan 8.310 nan 0.000 0.568 351 L N 0.320 121.328 121.223 -0.358 0.000 2.261 351 L HA -0.060 4.280 4.340 -0.000 0.000 0.216 351 L C 2.597 179.395 176.870 -0.119 0.000 1.114 351 L CA 1.329 55.958 54.840 -0.352 0.000 0.777 351 L CB -0.846 40.810 42.059 -0.672 0.000 0.910 351 L HN 0.904 nan 8.230 nan 0.000 0.440 352 A N -0.578 122.243 122.820 0.001 0.000 2.251 352 A HA 0.353 4.673 4.320 -0.000 0.000 0.209 352 A C 1.731 179.372 177.584 0.096 0.000 1.187 352 A CA 0.627 52.758 52.037 0.156 0.000 0.823 352 A CB -0.274 18.899 19.000 0.288 0.000 0.846 352 A HN 0.485 nan 8.150 nan 0.000 0.486 353 G N -1.193 107.630 108.800 0.038 0.000 2.143 353 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.249 353 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.249 353 G C 0.008 174.933 174.900 0.041 0.000 0.981 353 G CA 0.356 45.464 45.100 0.013 0.000 0.665 353 G HN 0.438 nan 8.290 nan 0.000 0.528 354 L N 1.858 123.143 121.223 0.105 0.000 2.325 354 L HA 0.480 4.820 4.340 -0.000 0.000 0.279 354 L C -1.552 175.410 176.870 0.154 0.000 1.054 354 L CA -2.431 52.504 54.840 0.159 0.000 0.804 354 L CB 1.444 43.681 42.059 0.296 0.000 1.200 354 L HN -0.084 nan 8.230 nan 0.000 0.436 355 P HA 0.082 nan 4.420 nan 0.000 0.271 355 P C -0.690 176.753 177.300 0.238 0.000 1.218 355 P CA -0.243 62.935 63.100 0.131 0.000 0.780 355 P CB 0.791 32.513 31.700 0.036 0.000 0.901 356 T N -1.318 113.360 114.554 0.206 0.000 2.940 356 T HA 0.545 4.895 4.350 -0.000 0.000 0.288 356 T C 0.464 175.283 174.700 0.200 0.000 1.033 356 T CA -0.641 61.603 62.100 0.241 0.000 1.033 356 T CB 0.892 69.882 68.868 0.203 0.000 1.079 356 T HN 0.449 nan 8.240 nan 0.000 0.496 357 S N 0.819 116.634 115.700 0.192 0.000 2.652 357 S HA 0.242 4.712 4.470 -0.000 0.000 0.267 357 S C 0.535 175.133 174.600 -0.002 0.000 1.201 357 S CA -0.430 57.815 58.200 0.075 0.000 0.996 357 S CB 0.109 63.309 63.200 -0.001 0.000 1.054 357 S HN 0.676 nan 8.310 nan 0.000 0.561 358 D N -0.189 120.150 120.400 -0.101 0.000 2.265 358 D HA -0.031 4.609 4.640 -0.000 0.000 0.208 358 D C 0.876 177.089 176.300 -0.145 0.000 0.977 358 D CA 1.013 54.931 54.000 -0.137 0.000 0.871 358 D CB -0.318 40.345 40.800 -0.227 0.000 0.925 358 D HN 0.502 nan 8.370 nan 0.000 0.485 359 F N -0.098 119.622 119.950 -0.382 0.000 2.727 359 F HA 0.292 4.819 4.527 -0.000 0.000 0.302 359 F C 1.620 177.250 175.800 -0.285 0.000 1.097 359 F CA 0.086 57.778 58.000 -0.513 0.000 1.330 359 F CB 0.194 38.450 39.000 -1.241 0.000 1.084 359 F HN 0.038 nan 8.300 nan 0.000 0.578 360 G N -0.045 108.818 108.800 0.104 0.000 2.160 360 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.244 360 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.244 360 G C -0.368 174.793 174.900 0.435 0.000 1.022 360 G CA -0.116 45.123 45.100 0.231 0.000 0.741 360 G HN 0.139 nan 8.290 nan 0.000 0.508 361 W N 0.779 122.185 121.300 0.177 0.000 2.391 361 W HA 0.623 5.283 4.660 -0.000 0.000 0.311 361 W C 0.499 177.160 176.519 0.235 0.000 1.087 361 W CA -2.216 55.233 57.345 0.173 0.000 1.209 361 W CB 0.620 30.174 29.460 0.156 0.000 1.273 361 W HN 0.327 nan 8.180 nan 0.000 0.482 362 E N 2.394 122.859 120.200 0.441 0.000 2.360 362 E HA 0.035 4.385 4.350 -0.000 0.000 0.269 362 E C -0.853 176.073 176.600 0.545 0.000 1.022 362 E CA -0.491 56.157 56.400 0.414 0.000 0.887 362 E CB 0.556 30.437 29.700 0.302 0.000 0.990 362 E HN 0.270 nan 8.360 nan 0.000 0.426 363 F N 5.770 125.976 119.950 0.426 0.000 2.502 363 F HA 0.193 4.720 4.527 -0.000 0.000 0.371 363 F C -0.845 175.257 175.800 0.503 0.000 1.083 363 F CA 0.118 58.410 58.000 0.486 0.000 1.174 363 F CB 0.112 39.336 39.000 0.374 0.000 1.096 363 F HN 0.425 nan 8.300 nan 0.000 0.545 364 F N 9.717 129.704 119.950 0.062 0.000 2.824 364 F HA 0.342 4.869 4.527 -0.000 0.000 0.368 364 F C -2.129 173.672 175.800 0.001 0.000 1.398 364 F CA -1.790 56.270 58.000 0.101 0.000 1.142 364 F CB 0.483 39.615 39.000 0.219 0.000 1.997 364 F HN 0.225 nan 8.300 nan 0.000 0.598 365 P HA -0.135 nan 4.420 nan 0.000 0.222 365 P C 0.929 177.898 177.300 -0.553 0.000 1.147 365 P CA 1.336 63.891 63.100 -0.908 0.000 0.790 365 P CB 0.362 31.349 31.700 -1.188 0.000 0.780 366 E N 0.225 120.047 120.200 -0.631 0.000 2.160 366 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 366 E C 2.379 178.831 176.600 -0.247 0.000 0.991 366 E CA 1.469 57.595 56.400 -0.458 0.000 0.810 366 E CB -1.358 27.991 29.700 -0.583 0.000 0.742 366 E HN 0.280 nan 8.360 nan 0.000 0.466 367 G N 1.000 109.700 108.800 -0.167 0.000 2.485 367 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.221 367 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.221 367 G C 1.470 176.075 174.900 -0.492 0.000 1.115 367 G CA 0.778 45.920 45.100 0.071 0.000 0.751 367 G HN 0.204 nan 8.290 nan 0.000 0.567 368 L N -0.642 120.114 121.223 -0.778 0.000 2.109 368 L HA 0.102 4.442 4.340 -0.000 0.000 0.207 368 L C 2.434 179.166 176.870 -0.230 0.000 1.086 368 L CA 1.448 55.865 54.840 -0.706 0.000 0.760 368 L CB -0.819 41.017 42.059 -0.371 0.000 0.910 368 L HN 0.342 nan 8.230 nan 0.000 0.437 369 Y N 0.366 120.522 120.300 -0.240 0.000 2.181 369 Y HA -0.264 4.286 4.550 -0.000 0.000 0.288 369 Y C 2.368 178.216 175.900 -0.087 0.000 1.146 369 Y CA 2.096 60.107 58.100 -0.148 0.000 1.164 369 Y CB -0.433 37.928 38.460 -0.165 0.000 0.982 369 Y HN 0.500 nan 8.280 nan 0.000 0.515 370 D N -0.522 119.833 120.400 -0.075 0.000 2.097 370 D HA -0.190 4.450 4.640 -0.000 0.000 0.195 370 D C 2.068 178.291 176.300 -0.129 0.000 0.989 370 D CA 1.996 55.944 54.000 -0.088 0.000 0.827 370 D CB -0.358 40.478 40.800 0.060 0.000 0.966 370 D HN 0.239 nan 8.370 nan 0.000 0.456 371 V N 0.337 120.186 119.914 -0.108 0.000 2.307 371 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 371 V C 2.690 178.819 176.094 0.059 0.000 1.045 371 V CA 1.355 63.632 62.300 -0.038 0.000 1.024 371 V CB -0.553 31.287 31.823 0.028 0.000 0.651 371 V HN 0.313 nan 8.190 nan 0.000 0.449 372 L N 0.493 121.728 121.223 0.020 0.000 2.012 372 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 372 L C 2.834 179.729 176.870 0.043 0.000 1.073 372 L CA 2.315 57.198 54.840 0.072 0.000 0.748 372 L CB -1.101 40.959 42.059 0.002 0.000 0.891 372 L HN 0.603 nan 8.230 nan 0.000 0.431 373 T N -3.181 111.270 114.554 -0.172 0.000 2.857 373 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 373 T C 1.885 176.579 174.700 -0.010 0.000 1.048 373 T CA 0.990 62.999 62.100 -0.151 0.000 1.139 373 T CB -0.139 68.448 68.868 -0.469 0.000 0.874 373 T HN 0.075 nan 8.240 nan 0.000 0.455 374 K N 0.043 120.433 120.400 -0.016 0.000 2.032 374 K HA -0.026 4.294 4.320 -0.000 0.000 0.209 374 K C 2.050 178.722 176.600 0.120 0.000 1.048 374 K CA 1.436 57.762 56.287 0.065 0.000 0.927 374 K CB -0.522 32.043 32.500 0.108 0.000 0.712 374 K HN 0.369 nan 8.250 nan 0.000 0.441 375 Y N -0.460 119.943 120.300 0.171 0.000 2.181 375 Y HA -0.267 4.283 4.550 -0.000 0.000 0.288 375 Y C 2.147 178.044 175.900 -0.006 0.000 1.146 375 Y CA 1.404 59.590 58.100 0.142 0.000 1.164 375 Y CB -0.419 38.116 38.460 0.126 0.000 0.982 375 Y HN 0.313 nan 8.280 nan 0.000 0.515 376 W N 1.051 122.351 121.300 0.000 0.000 2.355 376 W HA -0.242 4.418 4.660 -0.000 0.000 0.309 376 W C 1.383 177.582 176.519 -0.533 0.000 1.206 376 W CA 1.732 58.964 57.345 -0.189 0.000 1.284 376 W CB -0.356 29.021 29.460 -0.137 0.000 1.145 376 W HN 0.104 nan 8.180 nan 0.000 0.502 377 N N 0.496 118.951 118.700 -0.409 0.000 2.244 377 N HA -0.157 4.582 4.740 -0.000 0.000 0.183 377 N C 1.861 177.023 175.510 -0.580 0.000 1.016 377 N CA 1.255 53.994 53.050 -0.519 0.000 0.866 377 N CB -0.642 37.729 38.487 -0.194 0.000 0.980 377 N HN 0.301 nan 8.380 nan 0.000 0.430 378 R N -0.767 119.343 120.500 -0.650 0.000 2.080 378 R HA -0.010 4.330 4.340 -0.000 0.000 0.222 378 R C 0.869 176.747 176.300 -0.703 0.000 1.107 378 R CA 1.099 56.675 56.100 -0.874 0.000 0.980 378 R CB 0.152 29.507 30.300 -1.574 0.000 0.879 378 R HN 0.211 nan 8.270 nan 0.000 0.439 379 Y N -1.998 118.113 120.300 -0.316 0.000 2.467 379 Y HA 0.213 4.763 4.550 -0.000 0.000 0.259 379 Y C -0.109 175.676 175.900 -0.192 0.000 1.084 379 Y CA -0.234 57.760 58.100 -0.178 0.000 1.275 379 Y CB 0.137 38.550 38.460 -0.078 0.000 1.208 379 Y HN 0.139 nan 8.280 nan 0.000 0.511 380 H N -0.461 118.365 119.070 -0.408 0.000 2.741 380 H HA -0.160 4.396 4.556 -0.000 0.000 0.305 380 H C -0.635 174.542 175.328 -0.251 0.000 1.169 380 H CA 0.461 55.983 56.048 -0.875 0.000 1.144 380 H CB -2.091 27.163 29.762 -0.846 0.000 1.397 380 H HN 0.189 nan 8.280 nan 0.000 0.409 381 L N 1.044 122.340 121.223 0.121 0.000 2.325 381 L HA 0.293 4.633 4.340 -0.000 0.000 0.279 381 L C 1.047 178.195 176.870 0.463 0.000 1.054 381 L CA -1.273 53.722 54.840 0.258 0.000 0.804 381 L CB 0.523 42.647 42.059 0.110 0.000 1.200 381 L HN 0.253 nan 8.230 nan 0.000 0.436 382 Y N 1.513 122.052 120.300 0.399 0.000 2.511 382 Y HA 0.479 5.029 4.550 -0.000 0.000 0.347 382 Y C -0.316 175.693 175.900 0.180 0.000 1.257 382 Y CA -0.864 57.389 58.100 0.255 0.000 1.469 382 Y CB 0.402 38.914 38.460 0.087 0.000 1.353 382 Y HN 0.423 nan 8.280 nan 0.000 0.617 383 M N 2.242 121.933 119.600 0.151 0.000 2.619 383 M HA 0.448 4.928 4.480 -0.000 0.000 0.297 383 M C -1.792 174.459 176.300 -0.082 0.000 1.229 383 M CA -0.710 54.639 55.300 0.082 0.000 0.860 383 M CB 2.369 35.025 32.600 0.093 0.000 1.741 383 M HN 0.662 nan 8.290 nan 0.000 0.462 384 Y N -0.096 120.311 120.300 0.179 0.000 2.446 384 Y HA 0.507 5.057 4.550 -0.000 0.000 0.345 384 Y C -0.364 175.614 175.900 0.130 0.000 0.984 384 Y CA -0.957 57.186 58.100 0.072 0.000 1.058 384 Y CB 1.791 40.224 38.460 -0.046 0.000 1.220 384 Y HN 0.278 nan 8.280 nan 0.000 0.455 385 V N 3.297 123.379 119.914 0.279 0.000 2.370 385 V HA 0.043 4.162 4.120 -0.000 0.000 0.257 385 V C 0.697 176.866 176.094 0.126 0.000 1.064 385 V CA 0.429 62.857 62.300 0.213 0.000 0.975 385 V CB 0.074 32.059 31.823 0.270 0.000 1.067 385 V HN 1.059 nan 8.190 nan 0.000 0.485 386 T N 1.313 115.963 114.554 0.160 0.000 3.057 386 T HA 0.239 4.588 4.350 -0.000 0.000 0.254 386 T C 0.408 175.175 174.700 0.111 0.000 1.094 386 T CA 0.141 62.327 62.100 0.144 0.000 1.088 386 T CB 0.303 69.311 68.868 0.233 0.000 0.934 386 T HN 0.652 nan 8.240 nan 0.000 0.497 387 E N 0.919 121.147 120.200 0.047 0.000 2.335 387 E HA 0.480 4.830 4.350 -0.000 0.000 0.280 387 E C -1.447 175.015 176.600 -0.231 0.000 0.918 387 E CA -0.795 55.605 56.400 0.000 0.000 0.765 387 E CB 1.944 31.672 29.700 0.046 0.000 1.218 387 E HN 0.218 nan 8.360 nan 0.000 0.425 388 N N 1.698 120.235 118.700 -0.272 0.000 2.666 388 N HA 0.455 5.195 4.740 -0.000 0.000 0.260 388 N C -1.359 174.063 175.510 -0.148 0.000 1.077 388 N CA -0.131 52.744 53.050 -0.292 0.000 1.026 388 N CB 1.972 40.487 38.487 0.047 0.000 1.653 388 N HN 0.676 nan 8.380 nan 0.000 0.533 389 G N 1.764 110.626 108.800 0.104 0.000 2.340 389 G HA2 0.462 4.422 3.960 -0.000 0.000 0.299 389 G HA3 0.462 4.422 3.960 -0.000 0.000 0.299 389 G C -2.049 172.925 174.900 0.123 0.000 1.291 389 G CA -0.577 44.586 45.100 0.105 0.000 0.841 389 G HN 0.573 nan 8.290 nan 0.000 0.500 390 I N -0.361 120.230 120.570 0.034 0.000 2.752 390 I HA 0.665 4.835 4.170 -0.000 0.000 0.295 390 I C -0.211 175.447 176.117 -0.765 0.000 1.219 390 I CA -1.181 59.907 61.300 -0.353 0.000 1.030 390 I CB 2.024 39.664 38.000 -0.600 0.000 1.259 390 I HN 1.014 nan 8.210 nan 0.000 0.423 391 A N 4.497 126.586 122.820 -1.218 0.000 2.395 391 A HA 0.472 4.792 4.320 -0.000 0.000 0.286 391 A C -0.653 176.624 177.584 -0.511 0.000 1.193 391 A CA 0.223 51.548 52.037 -1.186 0.000 0.852 391 A CB -0.152 18.196 19.000 -1.087 0.000 1.118 391 A HN 0.606 nan 8.150 nan 0.000 0.524 392 D N 2.222 122.411 120.400 -0.352 0.000 2.474 392 D HA 0.080 4.720 4.640 -0.000 0.000 0.234 392 D C 0.151 176.344 176.300 -0.178 0.000 1.323 392 D CA -0.330 53.551 54.000 -0.198 0.000 0.915 392 D CB 0.691 41.428 40.800 -0.106 0.000 1.487 392 D HN 0.419 nan 8.370 nan 0.000 0.524 393 D N 1.878 122.166 120.400 -0.186 0.000 2.144 393 D HA -0.051 4.589 4.640 -0.000 0.000 0.200 393 D C 1.756 177.926 176.300 -0.218 0.000 0.978 393 D CA 1.457 55.360 54.000 -0.162 0.000 0.833 393 D CB 0.327 41.048 40.800 -0.133 0.000 0.961 393 D HN 0.364 nan 8.370 nan 0.000 0.470 394 A N -0.182 122.430 122.820 -0.347 0.000 2.066 394 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 394 A C 1.100 178.372 177.584 -0.520 0.000 1.157 394 A CA 1.381 53.053 52.037 -0.609 0.000 0.670 394 A CB -0.254 17.990 19.000 -1.261 0.000 0.804 394 A HN 0.297 nan 8.150 nan 0.000 0.453 395 D N -4.434 115.792 120.400 -0.290 0.000 3.041 395 D HA -0.204 4.436 4.640 -0.000 0.000 0.220 395 D C 0.275 176.618 176.300 0.071 0.000 1.157 395 D CA 1.055 55.007 54.000 -0.081 0.000 0.876 395 D CB -1.651 39.128 40.800 -0.035 0.000 1.107 395 D HN 0.481 nan 8.370 nan 0.000 0.422 396 Y N 0.059 120.414 120.300 0.092 0.000 2.163 396 Y HA -0.034 4.516 4.550 -0.000 0.000 0.288 396 Y C 2.593 178.625 175.900 0.220 0.000 1.136 396 Y CA 1.675 59.853 58.100 0.129 0.000 1.147 396 Y CB -0.540 37.969 38.460 0.083 0.000 0.987 396 Y HN 0.324 nan 8.280 nan 0.000 0.509 397 Q N -0.898 119.127 119.800 0.374 0.000 2.339 397 Q HA -0.001 4.339 4.340 -0.000 0.000 0.205 397 Q C 2.291 178.593 176.000 0.502 0.000 0.925 397 Q CA 0.070 56.117 55.803 0.406 0.000 0.898 397 Q CB 0.042 28.976 28.738 0.326 0.000 1.013 397 Q HN 0.339 nan 8.270 nan 0.000 0.504 398 R N 1.088 121.798 120.500 0.350 0.000 2.103 398 R HA -0.155 4.185 4.340 -0.000 0.000 0.242 398 R C -0.855 175.649 176.300 0.340 0.000 1.142 398 R CA 1.663 57.965 56.100 0.337 0.000 0.960 398 R CB -0.764 29.648 30.300 0.186 0.000 0.858 398 R HN 0.136 nan 8.270 nan 0.000 0.439 399 P HA -0.161 nan 4.420 nan 0.000 0.215 399 P C 0.510 177.850 177.300 0.068 0.000 1.153 399 P CA 1.487 64.620 63.100 0.056 0.000 0.853 399 P CB -0.127 31.509 31.700 -0.107 0.000 0.788 400 Y N -2.834 117.601 120.300 0.225 0.000 2.200 400 Y HA -0.188 4.362 4.550 -0.000 0.000 0.290 400 Y C 2.600 178.807 175.900 0.512 0.000 1.137 400 Y CA 1.199 59.460 58.100 0.268 0.000 1.163 400 Y CB -1.437 37.129 38.460 0.177 0.000 0.988 400 Y HN -0.073 nan 8.280 nan 0.000 0.518 401 Y N 0.295 121.034 120.300 0.732 0.000 2.097 401 Y HA -0.306 4.244 4.550 -0.000 0.000 0.282 401 Y C 2.418 178.652 175.900 0.556 0.000 1.152 401 Y CA 1.553 60.087 58.100 0.724 0.000 1.136 401 Y CB -0.672 38.139 38.460 0.585 0.000 0.975 401 Y HN 0.150 nan 8.280 nan 0.000 0.498 402 L N -0.603 120.970 121.223 0.584 0.000 1.976 402 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 402 L C 2.290 179.288 176.870 0.213 0.000 1.071 402 L CA 1.964 57.027 54.840 0.372 0.000 0.746 402 L CB -1.119 41.021 42.059 0.136 0.000 0.890 402 L HN 0.135 nan 8.230 nan 0.000 0.432 403 V N -0.621 119.391 119.914 0.163 0.000 2.332 403 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 403 V C 2.584 178.752 176.094 0.122 0.000 1.055 403 V CA 1.947 64.306 62.300 0.100 0.000 1.038 403 V CB -0.862 30.977 31.823 0.027 0.000 0.651 403 V HN 0.542 nan 8.190 nan 0.000 0.450 404 S N -1.010 114.784 115.700 0.157 0.000 2.368 404 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 404 S C 1.867 176.447 174.600 -0.032 0.000 1.030 404 S CA 1.767 60.006 58.200 0.065 0.000 0.999 404 S CB -0.387 62.854 63.200 0.069 0.000 0.844 404 S HN 0.732 nan 8.310 nan 0.000 0.459 405 H N 0.207 119.266 119.070 -0.018 0.000 2.395 405 H HA 0.116 4.672 4.556 -0.000 0.000 0.299 405 H C 2.084 177.446 175.328 0.057 0.000 1.070 405 H CA 1.070 57.120 56.048 0.003 0.000 1.356 405 H CB -0.310 29.478 29.762 0.044 0.000 1.401 405 H HN 0.119 nan 8.280 nan 0.000 0.524 406 V N 0.471 120.438 119.914 0.088 0.000 2.343 406 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 406 V C 2.051 178.302 176.094 0.261 0.000 1.051 406 V CA 1.963 64.290 62.300 0.047 0.000 1.036 406 V CB -0.634 31.167 31.823 -0.037 0.000 0.654 406 V HN 0.485 nan 8.190 nan 0.000 0.451 407 Y N 1.202 121.519 120.300 0.029 0.000 2.165 407 Y HA -0.275 4.275 4.550 -0.000 0.000 0.286 407 Y C 2.635 178.476 175.900 -0.100 0.000 1.155 407 Y CA 1.886 59.901 58.100 -0.141 0.000 1.164 407 Y CB -0.297 37.975 38.460 -0.313 0.000 0.978 407 Y HN 0.244 nan 8.280 nan 0.000 0.513 408 Q N -0.220 119.458 119.800 -0.203 0.000 2.170 408 Q HA -0.135 4.205 4.340 -0.000 0.000 0.203 408 Q C 2.524 178.472 176.000 -0.086 0.000 0.976 408 Q CA 1.656 57.308 55.803 -0.251 0.000 0.858 408 Q CB -0.789 27.871 28.738 -0.130 0.000 0.907 408 Q HN 0.512 nan 8.270 nan 0.000 0.433 409 V N 0.777 120.730 119.914 0.066 0.000 2.358 409 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 409 V C 2.409 178.523 176.094 0.033 0.000 1.047 409 V CA 1.776 64.178 62.300 0.170 0.000 1.035 409 V CB -0.808 31.248 31.823 0.389 0.000 0.658 409 V HN 0.462 nan 8.190 nan 0.000 0.452 410 H N 0.560 119.520 119.070 -0.183 0.000 2.319 410 H HA -0.166 4.390 4.556 -0.000 0.000 0.297 410 H C 2.638 177.710 175.328 -0.427 0.000 1.097 410 H CA 2.005 57.715 56.048 -0.563 0.000 1.285 410 H CB 0.045 29.378 29.762 -0.716 0.000 1.368 410 H HN 0.231 nan 8.280 nan 0.000 0.495 411 R N 0.110 120.389 120.500 -0.368 0.000 2.083 411 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 411 R C 2.470 178.753 176.300 -0.028 0.000 1.137 411 R CA 1.151 57.056 56.100 -0.325 0.000 0.951 411 R CB -0.510 29.457 30.300 -0.555 0.000 0.851 411 R HN 0.376 nan 8.270 nan 0.000 0.434 412 A N 1.025 123.884 122.820 0.066 0.000 1.877 412 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 412 A C 2.220 179.727 177.584 -0.128 0.000 1.186 412 A CA 1.212 53.269 52.037 0.032 0.000 0.620 412 A CB -0.495 18.483 19.000 -0.036 0.000 0.822 412 A HN 0.226 nan 8.150 nan 0.000 0.443 413 I N 0.023 120.468 120.570 -0.207 0.000 2.226 413 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 413 I C 2.506 178.456 176.117 -0.279 0.000 1.100 413 I CA 1.499 62.628 61.300 -0.285 0.000 1.374 413 I CB -0.477 37.314 38.000 -0.349 0.000 1.057 413 I HN 0.501 nan 8.210 nan 0.000 0.413 414 N N 0.885 119.409 118.700 -0.293 0.000 2.166 414 N HA -0.188 4.552 4.740 -0.000 0.000 0.186 414 N C 1.851 177.301 175.510 -0.101 0.000 1.019 414 N CA 1.807 54.730 53.050 -0.211 0.000 0.856 414 N CB 0.096 38.469 38.487 -0.191 0.000 0.993 414 N HN 0.373 nan 8.380 nan 0.000 0.426 415 S N -1.252 114.419 115.700 -0.049 0.000 2.603 415 S HA 0.216 4.686 4.470 -0.000 0.000 0.220 415 S C 1.298 175.884 174.600 -0.024 0.000 0.967 415 S CA 0.812 59.022 58.200 0.016 0.000 0.920 415 S CB 0.298 63.578 63.200 0.135 0.000 0.773 415 S HN 0.500 nan 8.310 nan 0.000 0.529 416 G N 0.257 108.982 108.800 -0.125 0.000 2.201 416 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.212 416 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.212 416 G C 0.227 174.792 174.900 -0.557 0.000 0.994 416 G CA -0.236 44.764 45.100 -0.167 0.000 0.644 416 G HN 1.228 nan 8.290 nan 0.000 0.508 417 A N 0.482 122.863 122.820 -0.731 0.000 2.477 417 A HA 0.487 4.807 4.320 -0.000 0.000 0.246 417 A C 0.215 177.172 177.584 -1.045 0.000 1.078 417 A CA 0.600 51.844 52.037 -1.322 0.000 0.770 417 A CB 0.368 19.025 19.000 -0.572 0.000 1.011 417 A HN 0.299 nan 8.150 nan 0.000 0.494 418 D N 2.600 122.142 120.400 -1.430 0.000 2.453 418 D HA 0.376 5.016 4.640 -0.000 0.000 0.223 418 D C -0.809 175.346 176.300 -0.242 0.000 1.183 418 D CA 0.252 53.871 54.000 -0.634 0.000 0.933 418 D CB 0.233 40.769 40.800 -0.441 0.000 1.038 418 D HN 0.117 nan 8.370 nan 0.000 0.513 419 V N 5.186 125.015 119.914 -0.143 0.000 2.448 419 V HA 0.417 4.537 4.120 -0.000 0.000 0.295 419 V C 1.218 177.349 176.094 0.062 0.000 1.025 419 V CA -0.697 61.603 62.300 0.001 0.000 0.859 419 V CB 1.987 33.885 31.823 0.126 0.000 0.988 419 V HN 0.401 nan 8.190 nan 0.000 0.431 420 R N 2.261 122.625 120.500 -0.226 0.000 2.476 420 R HA 0.502 4.842 4.340 -0.000 0.000 0.276 420 R C 0.582 176.453 176.300 -0.715 0.000 0.941 420 R CA 0.332 56.189 56.100 -0.405 0.000 1.088 420 R CB 1.454 31.347 30.300 -0.679 0.000 1.216 420 R HN 0.869 nan 8.270 nan 0.000 0.533 421 G N -0.183 108.160 108.800 -0.763 0.000 2.547 421 G HA2 0.249 4.209 3.960 -0.000 0.000 0.291 421 G HA3 0.249 4.209 3.960 -0.000 0.000 0.291 421 G C -2.408 172.252 174.900 -0.400 0.000 1.471 421 G CA -0.564 43.906 45.100 -1.050 0.000 0.798 421 G HN 0.059 nan 8.290 nan 0.000 0.504 422 Y N 0.704 120.734 120.300 -0.450 0.000 2.346 422 Y HA 0.724 5.274 4.550 -0.000 0.000 0.332 422 Y C -1.532 174.506 175.900 0.230 0.000 0.985 422 Y CA -1.130 57.031 58.100 0.102 0.000 1.112 422 Y CB 1.589 40.253 38.460 0.340 0.000 1.170 422 Y HN 0.407 nan 8.280 nan 0.000 0.447 423 L N 6.800 127.912 121.223 -0.184 0.000 2.316 423 L HA 0.334 4.674 4.340 -0.000 0.000 0.280 423 L C -0.514 176.281 176.870 -0.125 0.000 1.006 423 L CA -0.677 54.157 54.840 -0.010 0.000 0.836 423 L CB 0.961 43.026 42.059 0.010 0.000 1.221 423 L HN 0.693 nan 8.230 nan 0.000 0.418 424 H N 2.906 121.969 119.070 -0.012 0.000 2.764 424 H HA 0.097 4.653 4.556 -0.000 0.000 0.341 424 H C -1.043 174.424 175.328 0.232 0.000 1.072 424 H CA 0.168 56.230 56.048 0.024 0.000 1.444 424 H CB 0.741 30.535 29.762 0.053 0.000 1.458 424 H HN 0.601 nan 8.280 nan 0.000 0.572 425 W N 6.558 127.703 121.300 -0.257 0.000 2.308 425 W HA 0.415 5.075 4.660 -0.000 0.000 0.311 425 W C -1.033 175.524 176.519 0.063 0.000 1.088 425 W CA -0.298 57.045 57.345 -0.003 0.000 1.309 425 W CB 1.064 30.562 29.460 0.064 0.000 1.229 425 W HN 0.533 nan 8.180 nan 0.000 0.427 426 S N 3.789 119.454 115.700 -0.059 0.000 2.720 426 S HA 0.314 4.784 4.470 -0.000 0.000 0.287 426 S C 0.337 174.902 174.600 -0.057 0.000 1.168 426 S CA -0.659 57.358 58.200 -0.305 0.000 0.832 426 S CB 1.265 63.823 63.200 -1.070 0.000 1.166 426 S HN 0.489 nan 8.310 nan 0.000 0.493 427 L N 2.140 123.249 121.223 -0.190 0.000 2.017 427 L HA 0.389 4.729 4.340 -0.000 0.000 0.208 427 L C 0.625 177.261 176.870 -0.390 0.000 1.073 427 L CA 2.377 56.937 54.840 -0.467 0.000 0.745 427 L CB -0.708 40.646 42.059 -1.175 0.000 0.894 427 L HN 0.734 nan 8.230 nan 0.000 0.432 428 A N -1.699 120.931 122.820 -0.316 0.000 2.469 428 A HA 0.525 4.845 4.320 -0.000 0.000 0.299 428 A C -1.056 176.463 177.584 -0.108 0.000 1.098 428 A CA -0.854 51.016 52.037 -0.278 0.000 0.737 428 A CB 0.492 19.213 19.000 -0.464 0.000 1.312 428 A HN 0.155 nan 8.150 nan 0.000 0.414 429 D N 0.842 121.212 120.400 -0.049 0.000 2.419 429 D HA 0.331 4.971 4.640 -0.000 0.000 0.236 429 D C 0.057 176.494 176.300 0.228 0.000 1.165 429 D CA 1.121 55.188 54.000 0.111 0.000 0.882 429 D CB 0.408 41.278 40.800 0.116 0.000 1.201 429 D HN 0.709 nan 8.370 nan 0.000 0.443 430 N N -1.201 117.707 118.700 0.347 0.000 3.277 430 N HA 0.167 4.907 4.740 -0.000 0.000 0.278 430 N C -1.649 174.064 175.510 0.339 0.000 1.544 430 N CA -0.922 52.352 53.050 0.372 0.000 0.869 430 N CB 0.345 38.926 38.487 0.157 0.000 1.584 430 N HN 0.279 nan 8.380 nan 0.000 0.564 431 Y N 0.449 120.728 120.300 -0.034 0.000 2.531 431 Y HA 0.265 4.815 4.550 -0.000 0.000 0.347 431 Y C 0.188 175.799 175.900 -0.483 0.000 1.024 431 Y CA -0.240 57.563 58.100 -0.495 0.000 1.306 431 Y CB 0.625 38.671 38.460 -0.690 0.000 1.149 431 Y HN 0.693 nan 8.280 nan 0.000 0.527 432 E N 6.819 126.679 120.200 -0.567 0.000 2.261 432 E HA 0.153 4.502 4.350 -0.000 0.000 0.308 432 E C -0.560 175.862 176.600 -0.296 0.000 1.400 432 E CA 0.064 56.261 56.400 -0.337 0.000 1.542 432 E CB -0.640 29.047 29.700 -0.022 0.000 1.369 432 E HN 0.748 nan 8.360 nan 0.000 0.493 433 W N 0.698 121.778 121.300 -0.367 0.000 1.922 433 W HA -0.470 4.190 4.660 -0.000 0.000 0.275 433 W C 1.828 178.307 176.519 -0.067 0.000 1.129 433 W CA 0.758 57.947 57.345 -0.260 0.000 1.077 433 W CB -1.642 27.754 29.460 -0.107 0.000 0.883 433 W HN 0.309 nan 8.180 nan 0.000 0.546 434 A N -0.357 122.846 122.820 0.637 0.000 2.070 434 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 434 A C 1.744 179.460 177.584 0.220 0.000 1.159 434 A CA 2.316 54.658 52.037 0.508 0.000 0.656 434 A CB -0.939 18.452 19.000 0.651 0.000 0.800 434 A HN 0.453 nan 8.150 nan 0.000 0.453 435 S N -1.227 114.566 115.700 0.155 0.000 2.489 435 S HA 0.362 4.832 4.470 -0.000 0.000 0.228 435 S C 1.381 175.848 174.600 -0.221 0.000 0.995 435 S CA 0.769 58.961 58.200 -0.012 0.000 0.934 435 S CB -0.421 62.748 63.200 -0.052 0.000 0.771 435 S HN 1.547 nan 8.310 nan 0.000 0.522 436 G N 1.351 109.847 108.800 -0.506 0.000 2.553 436 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.242 436 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.242 436 G C 0.168 174.666 174.900 -0.671 0.000 1.277 436 G CA 0.045 44.674 45.100 -0.786 0.000 0.910 436 G HN 0.304 nan 8.290 nan 0.000 0.576 437 F N 2.123 121.953 119.950 -0.200 0.000 2.780 437 F HA 0.174 4.701 4.527 -0.000 0.000 0.299 437 F C 2.883 178.632 175.800 -0.085 0.000 1.146 437 F CA 1.400 59.299 58.000 -0.168 0.000 1.428 437 F CB 0.087 38.862 39.000 -0.375 0.000 1.115 437 F HN 0.516 nan 8.300 nan 0.000 0.583 438 S N -0.598 115.104 115.700 0.003 0.000 2.447 438 S HA -0.060 4.410 4.470 -0.000 0.000 0.233 438 S C 1.056 175.584 174.600 -0.120 0.000 1.006 438 S CA 0.540 58.718 58.200 -0.038 0.000 0.957 438 S CB -0.316 62.836 63.200 -0.079 0.000 0.773 438 S HN 0.050 nan 8.310 nan 0.000 0.507 439 M N 2.705 122.189 119.600 -0.193 0.000 2.094 439 M HA 0.387 4.867 4.480 -0.000 0.000 0.348 439 M C -0.332 175.956 176.300 -0.020 0.000 1.267 439 M CA 0.310 55.440 55.300 -0.282 0.000 1.125 439 M CB 0.402 32.667 32.600 -0.559 0.000 1.527 439 M HN 0.201 nan 8.290 nan 0.000 0.447 440 R N 2.393 122.834 120.500 -0.098 0.000 2.275 440 R HA 0.346 4.686 4.340 -0.000 0.000 0.326 440 R C -0.227 176.062 176.300 -0.018 0.000 0.973 440 R CA -0.157 55.967 56.100 0.040 0.000 0.854 440 R CB 0.853 31.157 30.300 0.006 0.000 1.156 440 R HN 0.515 nan 8.270 nan 0.000 0.487 441 F N 0.326 120.324 119.950 0.080 0.000 2.695 441 F HA 0.235 4.762 4.527 -0.000 0.000 0.303 441 F C 1.605 177.449 175.800 0.074 0.000 1.091 441 F CA -0.320 57.759 58.000 0.131 0.000 1.300 441 F CB 0.880 40.084 39.000 0.339 0.000 1.071 441 F HN 0.546 nan 8.300 nan 0.000 0.578 442 G N 0.265 109.154 108.800 0.149 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 0.900 175.800 174.900 -0.001 0.000 1.238 442 G CA -0.413 44.700 45.100 0.023 0.000 0.838 442 G HN 0.252 nan 8.290 nan 0.000 0.547 443 L N 0.779 121.972 121.223 -0.051 0.000 2.191 443 L HA 0.067 4.407 4.340 -0.000 0.000 0.212 443 L C 0.851 177.577 176.870 -0.241 0.000 1.103 443 L CA 0.845 55.594 54.840 -0.151 0.000 0.769 443 L CB -0.352 41.574 42.059 -0.221 0.000 0.908 443 L HN 0.310 nan 8.230 nan 0.000 0.438 444 L N -0.220 120.828 121.223 -0.291 0.000 2.322 444 L HA 0.343 4.683 4.340 -0.000 0.000 0.281 444 L C -0.017 176.745 176.870 -0.180 0.000 1.014 444 L CA -0.553 54.109 54.840 -0.297 0.000 0.815 444 L CB 1.591 43.378 42.059 -0.453 0.000 1.247 444 L HN -0.107 nan 8.230 nan 0.000 0.421 445 K N 2.000 122.351 120.400 -0.082 0.000 2.298 445 K HA 0.451 4.771 4.320 -0.000 0.000 0.280 445 K C -1.021 175.531 176.600 -0.080 0.000 1.032 445 K CA -0.471 55.779 56.287 -0.062 0.000 0.958 445 K CB 1.264 33.746 32.500 -0.030 0.000 0.978 445 K HN 0.383 nan 8.250 nan 0.000 0.472 446 V N 4.158 123.940 119.914 -0.219 0.000 2.370 446 V HA 0.068 4.188 4.120 -0.000 0.000 0.283 446 V C -0.399 175.442 176.094 -0.423 0.000 1.023 446 V CA -0.778 61.282 62.300 -0.400 0.000 0.857 446 V CB 1.356 32.727 31.823 -0.752 0.000 0.985 446 V HN 0.821 nan 8.190 nan 0.000 0.443 447 D N 3.631 123.915 120.400 -0.193 0.000 2.365 447 D HA 0.148 4.788 4.640 -0.000 0.000 0.237 447 D C 0.407 176.591 176.300 -0.193 0.000 1.190 447 D CA -0.069 53.862 54.000 -0.114 0.000 0.867 447 D CB 0.833 41.685 40.800 0.087 0.000 1.050 447 D HN 0.488 nan 8.370 nan 0.000 0.491 448 Y N 2.572 122.819 120.300 -0.088 0.000 2.509 448 Y HA -0.067 4.483 4.550 -0.000 0.000 0.293 448 Y C 2.023 177.853 175.900 -0.116 0.000 1.133 448 Y CA 0.429 58.430 58.100 -0.164 0.000 1.283 448 Y CB -0.083 38.171 38.460 -0.344 0.000 1.001 448 Y HN 0.446 nan 8.280 nan 0.000 0.555 449 N N -0.731 117.998 118.700 0.048 0.000 2.188 449 N HA -0.109 4.630 4.740 -0.000 0.000 0.184 449 N C 1.754 177.273 175.510 0.016 0.000 1.018 449 N CA 2.040 55.106 53.050 0.026 0.000 0.858 449 N CB -0.413 38.086 38.487 0.020 0.000 0.989 449 N HN 0.457 nan 8.380 nan 0.000 0.426 450 T N -2.753 111.804 114.554 0.005 0.000 2.975 450 T HA 0.217 4.567 4.350 -0.000 0.000 0.257 450 T C 0.459 175.149 174.700 -0.018 0.000 1.003 450 T CA -0.219 61.880 62.100 -0.003 0.000 0.932 450 T CB 0.603 69.471 68.868 -0.000 0.000 1.087 450 T HN -0.107 nan 8.240 nan 0.000 0.512 451 K N 0.268 120.648 120.400 -0.033 0.000 3.407 451 K HA -0.184 4.136 4.320 -0.000 0.000 0.312 451 K C 0.280 176.827 176.600 -0.089 0.000 1.302 451 K CA 0.640 56.900 56.287 -0.046 0.000 0.931 451 K CB -1.969 30.545 32.500 0.023 0.000 1.257 451 K HN 0.651 nan 8.250 nan 0.000 0.454 452 R N 1.141 121.574 120.500 -0.111 0.000 2.590 452 R HA 0.301 4.641 4.340 -0.000 0.000 0.274 452 R C 0.082 176.217 176.300 -0.274 0.000 1.061 452 R CA -0.096 55.879 56.100 -0.209 0.000 1.081 452 R CB 0.413 30.568 30.300 -0.242 0.000 0.984 452 R HN 0.131 nan 8.270 nan 0.000 0.448 453 L N 4.798 125.811 121.223 -0.351 0.000 2.309 453 L HA 0.425 4.765 4.340 -0.000 0.000 0.282 453 L C -0.967 175.681 176.870 -0.370 0.000 1.036 453 L CA -0.853 53.798 54.840 -0.314 0.000 0.806 453 L CB 1.127 42.982 42.059 -0.341 0.000 1.220 453 L HN 0.597 nan 8.230 nan 0.000 0.429 454 Y N -0.391 119.868 120.300 -0.068 0.000 2.485 454 Y HA 0.353 4.903 4.550 -0.000 0.000 0.345 454 Y C -0.729 175.216 175.900 0.076 0.000 0.998 454 Y CA -0.574 57.555 58.100 0.049 0.000 1.059 454 Y CB 1.622 40.082 38.460 0.001 0.000 1.234 454 Y HN 0.410 nan 8.280 nan 0.000 0.461 455 W N 4.028 125.364 121.300 0.059 0.000 2.416 455 W HA 0.459 5.119 4.660 -0.000 0.000 0.318 455 W C 0.211 176.744 176.519 0.023 0.000 1.150 455 W CA -0.919 56.431 57.345 0.009 0.000 1.392 455 W CB 0.256 29.711 29.460 -0.007 0.000 1.311 455 W HN 0.283 nan 8.180 nan 0.000 0.436 456 R N 4.463 125.028 120.500 0.109 0.000 2.694 456 R HA 0.036 4.376 4.340 -0.000 0.000 0.268 456 R C -1.247 175.121 176.300 0.113 0.000 1.061 456 R CA -1.125 55.017 56.100 0.071 0.000 1.133 456 R CB 0.039 30.340 30.300 0.001 0.000 1.020 456 R HN 0.177 nan 8.270 nan 0.000 0.475 457 P HA -0.195 nan 4.420 nan 0.000 0.217 457 P C 0.832 178.190 177.300 0.097 0.000 1.151 457 P CA 1.447 64.612 63.100 0.110 0.000 0.849 457 P CB 0.193 31.945 31.700 0.086 0.000 0.787 458 S N -0.619 115.118 115.700 0.061 0.000 2.402 458 S HA -0.209 4.261 4.470 -0.000 0.000 0.233 458 S C 2.004 176.620 174.600 0.027 0.000 1.030 458 S CA 1.429 59.649 58.200 0.034 0.000 1.003 458 S CB -0.988 62.218 63.200 0.010 0.000 0.813 458 S HN 0.208 nan 8.310 nan 0.000 0.477 459 A N 1.246 124.074 122.820 0.013 0.000 1.930 459 A HA 0.043 4.363 4.320 -0.000 0.000 0.217 459 A C 2.078 179.769 177.584 0.177 0.000 1.175 459 A CA 0.988 52.989 52.037 -0.059 0.000 0.627 459 A CB -0.594 18.162 19.000 -0.406 0.000 0.815 459 A HN 0.463 nan 8.150 nan 0.000 0.443 460 L N -0.544 120.867 121.223 0.313 0.000 2.083 460 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 460 L C 2.498 179.476 176.870 0.180 0.000 1.083 460 L CA 0.975 56.001 54.840 0.310 0.000 0.752 460 L CB -0.589 41.602 42.059 0.219 0.000 0.899 460 L HN 0.238 nan 8.230 nan 0.000 0.433 461 V N -1.142 118.851 119.914 0.131 0.000 2.295 461 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 461 V C 2.275 178.442 176.094 0.122 0.000 1.049 461 V CA 1.721 64.076 62.300 0.091 0.000 1.024 461 V CB -0.700 31.152 31.823 0.049 0.000 0.648 461 V HN 0.346 nan 8.190 nan 0.000 0.447 462 Y N 1.206 121.481 120.300 -0.042 0.000 2.224 462 Y HA -0.217 4.333 4.550 -0.000 0.000 0.289 462 Y C 2.754 178.619 175.900 -0.059 0.000 1.146 462 Y CA 1.895 59.944 58.100 -0.086 0.000 1.182 462 Y CB -0.537 37.859 38.460 -0.107 0.000 0.983 462 Y HN 0.143 nan 8.280 nan 0.000 0.524 463 R N 0.157 120.696 120.500 0.066 0.000 2.091 463 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 463 R C 2.056 178.346 176.300 -0.017 0.000 1.136 463 R CA 1.799 57.916 56.100 0.028 0.000 0.959 463 R CB -0.103 30.320 30.300 0.206 0.000 0.856 463 R HN 0.229 nan 8.270 nan 0.000 0.437 464 E N 0.666 120.876 120.200 0.017 0.000 2.070 464 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 464 E C 2.062 178.626 176.600 -0.060 0.000 1.004 464 E CA 1.525 57.924 56.400 -0.002 0.000 0.805 464 E CB -0.272 29.442 29.700 0.023 0.000 0.744 464 E HN 0.489 nan 8.360 nan 0.000 0.451 465 I N 0.809 121.307 120.570 -0.120 0.000 2.163 465 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 465 I C 2.501 178.360 176.117 -0.430 0.000 1.081 465 I CA 1.177 62.310 61.300 -0.278 0.000 1.353 465 I CB -0.353 37.431 38.000 -0.361 0.000 1.054 465 I HN 0.008 nan 8.210 nan 0.000 0.407 466 A N 0.801 123.338 122.820 -0.472 0.000 1.873 466 A HA -0.210 4.110 4.320 -0.000 0.000 0.215 466 A C 2.435 179.976 177.584 -0.073 0.000 1.186 466 A CA 2.335 54.167 52.037 -0.341 0.000 0.616 466 A CB -1.238 17.527 19.000 -0.392 0.000 0.823 466 A HN 0.522 nan 8.150 nan 0.000 0.442 467 T N -2.483 112.037 114.554 -0.058 0.000 2.962 467 T HA -0.066 4.284 4.350 -0.000 0.000 0.270 467 T C 1.341 176.059 174.700 0.031 0.000 1.088 467 T CA 1.415 63.519 62.100 0.007 0.000 1.127 467 T CB -0.401 68.474 68.868 0.011 0.000 0.883 467 T HN 0.445 nan 8.240 nan 0.000 0.493 468 N N 0.968 119.680 118.700 0.020 0.000 2.299 468 N HA 0.164 4.904 4.740 -0.000 0.000 0.187 468 N C 1.414 176.993 175.510 0.115 0.000 1.099 468 N CA 0.650 53.733 53.050 0.055 0.000 0.867 468 N CB 0.280 38.791 38.487 0.040 0.000 0.974 468 N HN 0.658 nan 8.380 nan 0.000 0.477 469 G N 1.214 110.102 108.800 0.146 0.000 2.321 469 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.287 469 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.287 469 G C -0.031 175.110 174.900 0.403 0.000 1.018 469 G CA 0.759 46.056 45.100 0.328 0.000 0.855 469 G HN 0.641 nan 8.290 nan 0.000 0.507 470 A N -1.168 121.802 122.820 0.249 0.000 2.605 470 A HA 0.713 5.033 4.320 -0.000 0.000 0.294 470 A C -0.280 177.414 177.584 0.184 0.000 1.062 470 A CA -0.685 51.547 52.037 0.324 0.000 0.682 470 A CB 0.924 20.046 19.000 0.205 0.000 1.278 470 A HN 0.762 nan 8.150 nan 0.000 0.410 471 I N 2.804 123.535 120.570 0.269 0.000 2.421 471 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 471 I C 1.164 177.356 176.117 0.125 0.000 1.089 471 I CA 0.148 61.557 61.300 0.181 0.000 1.354 471 I CB 0.862 39.023 38.000 0.268 0.000 1.413 471 I HN 0.757 nan 8.210 nan 0.000 0.513 472 T N 0.822 115.419 114.554 0.073 0.000 2.828 472 T HA 0.113 4.463 4.350 -0.000 0.000 0.290 472 T C 0.899 175.621 174.700 0.036 0.000 1.019 472 T CA -0.801 61.325 62.100 0.043 0.000 1.031 472 T CB 1.188 70.076 68.868 0.034 0.000 1.001 472 T HN 0.450 nan 8.240 nan 0.000 0.531 473 D N 0.835 121.239 120.400 0.007 0.000 2.133 473 D HA -0.148 4.492 4.640 -0.000 0.000 0.195 473 D C 2.162 178.484 176.300 0.037 0.000 0.997 473 D CA 1.444 55.444 54.000 -0.000 0.000 0.840 473 D CB -0.104 40.684 40.800 -0.019 0.000 0.947 473 D HN 0.833 nan 8.370 nan 0.000 0.452 474 E N 0.863 121.089 120.200 0.042 0.000 2.338 474 E HA -0.129 4.221 4.350 -0.000 0.000 0.197 474 E C 2.079 178.762 176.600 0.137 0.000 1.007 474 E CA 0.562 56.997 56.400 0.059 0.000 0.849 474 E CB -0.410 29.311 29.700 0.036 0.000 0.774 474 E HN 0.544 nan 8.360 nan 0.000 0.506 475 I N -2.805 117.848 120.570 0.138 0.000 4.081 475 I HA 0.297 4.467 4.170 -0.000 0.000 0.333 475 I C 1.592 177.753 176.117 0.073 0.000 1.413 475 I CA -0.355 61.030 61.300 0.142 0.000 1.110 475 I CB 0.290 38.317 38.000 0.046 0.000 1.082 475 I HN -0.234 nan 8.210 nan 0.000 0.402 476 E N 2.056 122.339 120.200 0.140 0.000 2.265 476 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 476 E C 1.921 178.562 176.600 0.068 0.000 0.996 476 E CA 1.416 57.878 56.400 0.104 0.000 0.832 476 E CB -0.119 29.647 29.700 0.111 0.000 0.756 476 E HN 0.746 nan 8.360 nan 0.000 0.491 477 H N -0.138 118.939 119.070 0.012 0.000 2.491 477 H HA -0.087 4.469 4.556 -0.000 0.000 0.290 477 H C 1.797 177.148 175.328 0.039 0.000 1.050 477 H CA 0.691 56.751 56.048 0.021 0.000 1.309 477 H CB -0.477 29.298 29.762 0.021 0.000 1.392 477 H HN 0.230 nan 8.280 nan 0.000 0.554 478 L N 1.003 121.845 121.223 -0.635 0.000 2.551 478 L HA -0.048 4.292 4.340 -0.000 0.000 0.228 478 L C 1.410 178.244 176.870 -0.060 0.000 1.153 478 L CA 0.327 54.883 54.840 -0.472 0.000 0.851 478 L CB -0.403 41.316 42.059 -0.568 0.000 0.959 478 L HN 0.323 nan 8.230 nan 0.000 0.451 479 N N 1.022 119.689 118.700 -0.054 0.000 3.178 479 N HA 0.023 4.763 4.740 -0.000 0.000 0.300 479 N C -0.613 174.898 175.510 0.002 0.000 1.242 479 N CA 0.001 53.023 53.050 -0.047 0.000 1.192 479 N CB 0.175 38.520 38.487 -0.238 0.000 1.463 479 N HN 0.227 nan 8.380 nan 0.000 0.539 480 S N -0.848 114.949 115.700 0.162 0.000 2.636 480 S HA 0.260 4.730 4.470 -0.000 0.000 0.268 480 S C -0.671 174.010 174.600 0.135 0.000 1.159 480 S CA -0.910 57.376 58.200 0.144 0.000 0.815 480 S CB 1.181 64.456 63.200 0.124 0.000 1.130 480 S HN -0.076 nan 8.310 nan 0.000 0.471 481 V N 2.455 122.325 119.914 -0.073 0.000 2.555 481 V HA 0.342 4.462 4.120 -0.000 0.000 0.286 481 V C -2.250 173.428 176.094 -0.694 0.000 1.044 481 V CA -1.350 60.658 62.300 -0.487 0.000 1.026 481 V CB 0.239 31.904 31.823 -0.264 0.000 0.981 481 V HN 0.745 nan 8.190 nan 0.000 0.480 482 P HA 0.089 nan 4.420 nan 0.000 0.260 482 P C -2.547 174.398 177.300 -0.592 0.000 1.172 482 P CA -0.686 61.733 63.100 -1.135 0.000 0.760 482 P CB -0.316 30.970 31.700 -0.691 0.000 0.773 483 P HA -0.078 nan 4.420 nan 0.000 0.263 483 P C 1.090 178.301 177.300 -0.149 0.000 1.195 483 P CA 0.206 63.177 63.100 -0.215 0.000 0.762 483 P CB 0.328 31.953 31.700 -0.125 0.000 0.799 484 V N 2.289 122.145 119.914 -0.097 0.000 2.788 484 V HA -0.104 4.015 4.120 -0.000 0.000 0.251 484 V C 2.008 178.162 176.094 0.100 0.000 1.068 484 V CA 1.081 63.367 62.300 -0.023 0.000 1.090 484 V CB -0.982 30.804 31.823 -0.061 0.000 0.710 484 V HN 0.359 nan 8.190 nan 0.000 0.467 485 K N 1.360 121.795 120.400 0.058 0.000 2.020 485 K HA -0.138 4.182 4.320 -0.000 0.000 0.212 485 K C 0.148 176.810 176.600 0.102 0.000 1.050 485 K CA 2.438 58.798 56.287 0.122 0.000 0.929 485 K CB -1.403 31.123 32.500 0.043 0.000 0.714 485 K HN 0.522 nan 8.250 nan 0.000 0.443 486 P HA 0.025 nan 4.420 nan 0.000 0.233 486 P C 0.213 177.450 177.300 -0.105 0.000 1.167 486 P CA 0.516 63.579 63.100 -0.062 0.000 0.770 486 P CB 0.115 31.760 31.700 -0.091 0.000 0.837 487 L N -0.520 120.675 121.223 -0.047 0.000 2.439 487 L HA 0.322 4.662 4.340 -0.000 0.000 0.259 487 L C 1.140 177.948 176.870 -0.104 0.000 1.129 487 L CA -1.176 53.633 54.840 -0.051 0.000 0.803 487 L CB 0.554 42.625 42.059 0.020 0.000 1.161 487 L HN -0.166 nan 8.230 nan 0.000 0.462 488 R N 0.322 120.776 120.500 -0.077 0.000 2.623 488 R HA 0.132 4.472 4.340 -0.000 0.000 0.271 488 R C -0.718 175.581 176.300 -0.003 0.000 1.043 488 R CA 0.075 56.096 56.100 -0.131 0.000 1.083 488 R CB 0.339 30.620 30.300 -0.032 0.000 0.974 488 R HN 0.592 nan 8.270 nan 0.000 0.436 489 H N 0.000 119.073 119.070 0.005 0.000 2.539 489 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 489 H CA 0.000 56.053 56.048 0.008 0.000 1.023 489 H CB 0.000 29.763 29.762 0.002 0.000 1.292 489 H HN 0.000 nan 8.280 nan 0.000 0.496