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 2bcn_1_C DATA FIRST_RESID 1 DATA SEQUENCE TTPLVHVASV EKGRSYEDFQ KVYNAIALKL REDDEYDNYI GYGPVLVRLA DATA SEQUENCE WHISGTWDKH DNTGGSYGGT YRFKKEFNDP SNAGLQNGFK FLEPIHKEFP DATA SEQUENCE WISSGDLFSL GGVTAVQEMQ GPKIPWRCGR VDTPEDTTPD NGRLPDADKD DATA SEQUENCE AGYVRTFFQR LNMNDREVVA LMGAHALGKT HLKNSGYEGP WGAANNVFTN DATA SEQUENCE EFYLNLLNED WKLEKNDANN EQWDSKSGYM MLPTDYSLIQ DPKYLSIVKE DATA SEQUENCE YANDQDKFFK DFSKAFEKLL ENGITFPKDA PSPFIFKTLE EQGL 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.685 174.700 -0.026 0.000 1.109 1 T CA 0.000 62.086 62.100 -0.024 0.000 1.349 1 T CB 0.000 68.856 68.868 -0.019 0.000 0.612 2 T N 2.406 116.943 114.554 -0.028 0.000 2.856 2 T HA 0.765 5.116 4.350 0.002 0.000 0.283 2 T C -2.826 171.847 174.700 -0.046 0.000 1.008 2 T CA -1.463 60.617 62.100 -0.033 0.000 0.997 2 T CB 1.388 70.238 68.868 -0.030 0.000 0.992 2 T HN 0.500 nan 8.240 nan 0.000 0.454 3 P HA 0.208 nan 4.420 nan 0.000 0.266 3 P C -0.509 176.728 177.300 -0.105 0.000 1.195 3 P CA -0.473 62.584 63.100 -0.072 0.000 0.768 3 P CB 0.603 32.264 31.700 -0.064 0.000 0.838 4 L N 2.377 123.508 121.223 -0.154 0.000 2.361 4 L HA 0.229 4.570 4.340 0.002 0.000 0.278 4 L C 0.401 177.014 176.870 -0.430 0.000 1.113 4 L CA -0.868 53.803 54.840 -0.283 0.000 0.849 4 L CB 0.598 42.452 42.059 -0.341 0.000 1.155 4 L HN 0.116 nan 8.230 nan 0.000 0.452 5 V N 3.375 123.068 119.914 -0.369 0.000 2.432 5 V HA 0.182 4.303 4.120 0.002 0.000 0.275 5 V C -0.032 175.792 176.094 -0.450 0.000 1.043 5 V CA -0.435 61.669 62.300 -0.327 0.000 0.925 5 V CB 0.727 32.445 31.823 -0.175 0.000 0.985 5 V HN 0.549 nan 8.190 nan 0.000 0.466 6 H N 3.697 122.541 119.070 -0.376 0.000 2.697 6 H HA 0.370 4.928 4.556 0.002 0.000 0.270 6 H C -0.472 174.435 175.328 -0.701 0.000 1.188 6 H CA -0.461 55.095 56.048 -0.820 0.000 1.322 6 H CB 1.421 30.436 29.762 -1.245 0.000 1.405 6 H HN 0.392 nan 8.280 nan 0.000 0.502 7 V N 2.225 121.992 119.914 -0.245 0.000 2.488 7 V HA 0.295 4.416 4.120 0.002 0.000 0.277 7 V C 1.016 177.138 176.094 0.047 0.000 1.046 7 V CA -0.836 61.398 62.300 -0.110 0.000 0.986 7 V CB 0.836 32.641 31.823 -0.031 0.000 0.989 7 V HN 0.785 nan 8.190 nan 0.000 0.475 8 A N 4.231 127.005 122.820 -0.077 0.000 2.450 8 A HA 0.515 4.836 4.320 0.002 0.000 0.255 8 A C 0.446 178.070 177.584 0.067 0.000 1.096 8 A CA 0.117 52.148 52.037 -0.009 0.000 0.778 8 A CB 0.413 19.268 19.000 -0.242 0.000 1.031 8 A HN 0.846 nan 8.150 nan 0.000 0.494 9 S N 2.393 118.151 115.700 0.096 0.000 2.707 9 S HA 0.455 4.926 4.470 0.002 0.000 0.303 9 S C -0.545 174.126 174.600 0.119 0.000 1.132 9 S CA -0.571 57.689 58.200 0.100 0.000 1.046 9 S CB 0.627 63.887 63.200 0.100 0.000 1.004 9 S HN 0.721 nan 8.310 nan 0.000 0.483 10 V N 4.960 124.959 119.914 0.141 0.000 2.585 10 V HA 0.121 4.243 4.120 0.002 0.000 0.296 10 V C 0.414 176.641 176.094 0.220 0.000 1.035 10 V CA -0.172 62.252 62.300 0.207 0.000 1.084 10 V CB 0.228 32.179 31.823 0.213 0.000 0.953 10 V HN 0.845 nan 8.190 nan 0.000 0.483 11 E N 4.304 124.692 120.200 0.314 0.000 2.493 11 E HA 0.001 4.352 4.350 0.002 0.000 0.255 11 E C 0.340 177.043 176.600 0.173 0.000 0.999 11 E CA 0.085 56.655 56.400 0.283 0.000 0.934 11 E CB 0.135 30.108 29.700 0.456 0.000 0.940 11 E HN 0.321 nan 8.360 nan 0.000 0.473 12 K N 2.366 122.834 120.400 0.113 0.000 2.438 12 K HA -0.162 4.159 4.320 0.002 0.000 0.270 12 K C 0.996 177.591 176.600 -0.009 0.000 1.095 12 K CA 1.289 57.609 56.287 0.054 0.000 1.174 12 K CB -0.175 32.351 32.500 0.043 0.000 0.830 12 K HN 0.908 nan 8.250 nan 0.000 0.487 13 G N 3.661 112.462 108.800 0.001 0.000 2.166 13 G HA2 -0.276 3.685 3.960 0.002 0.000 0.260 13 G HA3 -0.276 3.685 3.960 0.002 0.000 0.260 13 G C -0.009 174.831 174.900 -0.100 0.000 0.986 13 G CA 0.259 45.333 45.100 -0.043 0.000 0.683 13 G HN 0.534 nan 8.290 nan 0.000 0.527 14 R N 0.474 120.926 120.500 -0.080 0.000 2.368 14 R HA 0.729 5.070 4.340 0.002 0.000 0.302 14 R C 0.512 176.885 176.300 0.123 0.000 1.002 14 R CA 0.358 56.355 56.100 -0.172 0.000 0.929 14 R CB 1.523 31.590 30.300 -0.388 0.000 1.073 14 R HN 0.663 nan 8.270 nan 0.000 0.464 15 S N 0.621 116.361 115.700 0.067 0.000 2.911 15 S HA 0.211 4.682 4.470 0.002 0.000 0.319 15 S C 0.970 175.636 174.600 0.110 0.000 1.154 15 S CA -0.806 57.533 58.200 0.232 0.000 0.857 15 S CB 0.501 63.794 63.200 0.155 0.000 1.279 15 S HN 0.671 nan 8.310 nan 0.000 0.593 16 Y N 1.484 121.625 120.300 -0.266 0.000 2.029 16 Y HA -0.288 4.263 4.550 0.002 0.000 0.269 16 Y C 2.512 178.329 175.900 -0.139 0.000 1.201 16 Y CA 2.651 60.423 58.100 -0.547 0.000 1.115 16 Y CB -0.357 37.906 38.460 -0.329 0.000 0.945 16 Y HN 0.721 nan 8.280 nan 0.000 0.497 17 E N 0.034 120.169 120.200 -0.109 0.000 2.097 17 E HA -0.253 4.098 4.350 0.002 0.000 0.196 17 E C 1.852 178.335 176.600 -0.194 0.000 1.000 17 E CA 1.616 57.922 56.400 -0.156 0.000 0.804 17 E CB -0.394 29.291 29.700 -0.026 0.000 0.740 17 E HN 0.691 nan 8.360 nan 0.000 0.454 18 D N 0.008 120.271 120.400 -0.229 0.000 2.117 18 D HA -0.134 4.508 4.640 0.002 0.000 0.197 18 D C 1.877 178.008 176.300 -0.282 0.000 0.987 18 D CA 0.971 54.771 54.000 -0.334 0.000 0.829 18 D CB -0.286 40.079 40.800 -0.725 0.000 0.961 18 D HN 0.175 nan 8.370 nan 0.000 0.460 19 F N 0.800 120.707 119.950 -0.072 0.000 2.325 19 F HA -0.065 4.463 4.527 0.002 0.000 0.299 19 F C 2.599 178.081 175.800 -0.531 0.000 1.090 19 F CA 0.429 58.330 58.000 -0.166 0.000 1.392 19 F CB -0.355 38.717 39.000 0.120 0.000 1.053 19 F HN -0.135 nan 8.300 nan 0.000 0.521 20 Q N 1.137 120.750 119.800 -0.311 0.000 2.167 20 Q HA -0.151 4.191 4.340 0.002 0.000 0.202 20 Q C 1.839 177.672 176.000 -0.278 0.000 0.970 20 Q CA 1.678 57.243 55.803 -0.396 0.000 0.855 20 Q CB -0.182 28.305 28.738 -0.418 0.000 0.911 20 Q HN 0.275 nan 8.270 nan 0.000 0.438 21 K N -1.002 119.248 120.400 -0.249 0.000 2.097 21 K HA -0.068 4.253 4.320 0.002 0.000 0.206 21 K C 1.904 178.252 176.600 -0.419 0.000 1.049 21 K CA 1.364 57.540 56.287 -0.185 0.000 0.933 21 K CB 0.016 32.497 32.500 -0.031 0.000 0.717 21 K HN 0.059 nan 8.250 nan 0.000 0.442 22 V N 0.373 119.833 119.914 -0.756 0.000 2.453 22 V HA -0.233 3.888 4.120 0.002 0.000 0.247 22 V C 1.971 177.768 176.094 -0.496 0.000 1.048 22 V CA 1.440 63.176 62.300 -0.941 0.000 1.049 22 V CB -0.559 30.724 31.823 -0.900 0.000 0.672 22 V HN 0.267 nan 8.190 nan 0.000 0.457 23 Y N 1.931 121.862 120.300 -0.616 0.000 2.128 23 Y HA -0.274 4.277 4.550 0.002 0.000 0.284 23 Y C 2.318 178.042 175.900 -0.293 0.000 1.154 23 Y CA 2.196 59.973 58.100 -0.538 0.000 1.149 23 Y CB -0.671 37.318 38.460 -0.786 0.000 0.976 23 Y HN 0.341 nan 8.280 nan 0.000 0.505 24 N N -0.124 118.591 118.700 0.024 0.000 2.149 24 N HA -0.206 4.535 4.740 0.002 0.000 0.188 24 N C 1.964 177.453 175.510 -0.035 0.000 1.019 24 N CA 0.851 53.929 53.050 0.047 0.000 0.857 24 N CB -0.318 38.205 38.487 0.059 0.000 0.997 24 N HN 0.490 nan 8.380 nan 0.000 0.426 25 A N 1.225 124.015 122.820 -0.050 0.000 1.898 25 A HA -0.077 4.245 4.320 0.002 0.000 0.216 25 A C 2.115 179.643 177.584 -0.094 0.000 1.181 25 A CA 0.947 52.976 52.037 -0.013 0.000 0.620 25 A CB -0.515 18.576 19.000 0.152 0.000 0.819 25 A HN 0.166 nan 8.150 nan 0.000 0.442 26 I N -0.229 120.253 120.570 -0.147 0.000 2.202 26 I HA -0.248 3.923 4.170 0.002 0.000 0.242 26 I C 2.980 179.075 176.117 -0.038 0.000 1.091 26 I CA 1.041 62.291 61.300 -0.084 0.000 1.368 26 I CB -0.383 37.536 38.000 -0.135 0.000 1.058 26 I HN 0.336 nan 8.210 nan 0.000 0.410 27 A N 0.722 123.421 122.820 -0.202 0.000 1.908 27 A HA -0.197 4.124 4.320 0.002 0.000 0.218 27 A C 2.400 179.969 177.584 -0.026 0.000 1.181 27 A CA 1.449 53.384 52.037 -0.169 0.000 0.627 27 A CB -0.817 18.019 19.000 -0.272 0.000 0.818 27 A HN 0.447 nan 8.150 nan 0.000 0.445 28 L N -0.677 120.535 121.223 -0.018 0.000 2.093 28 L HA -0.132 4.209 4.340 0.002 0.000 0.208 28 L C 2.534 179.417 176.870 0.021 0.000 1.085 28 L CA 2.197 57.043 54.840 0.009 0.000 0.755 28 L CB -0.399 41.660 42.059 0.000 0.000 0.904 28 L HN 0.555 nan 8.230 nan 0.000 0.435 29 K N -0.405 119.991 120.400 -0.007 0.000 2.211 29 K HA -0.203 4.118 4.320 0.002 0.000 0.203 29 K C 2.039 178.775 176.600 0.227 0.000 1.050 29 K CA 0.798 57.063 56.287 -0.036 0.000 0.945 29 K CB 0.092 32.370 32.500 -0.371 0.000 0.732 29 K HN 0.161 nan 8.250 nan 0.000 0.451 30 L N 1.219 122.630 121.223 0.313 0.000 2.093 30 L HA -0.058 4.284 4.340 0.002 0.000 0.208 30 L C 2.365 179.343 176.870 0.180 0.000 1.085 30 L CA 1.554 56.555 54.840 0.269 0.000 0.755 30 L CB -0.519 41.614 42.059 0.123 0.000 0.904 30 L HN 0.114 nan 8.230 nan 0.000 0.435 31 R N -0.868 119.709 120.500 0.128 0.000 2.119 31 R HA -0.082 4.260 4.340 0.002 0.000 0.222 31 R C 2.149 178.517 176.300 0.114 0.000 1.088 31 R CA 0.877 57.043 56.100 0.109 0.000 0.984 31 R CB 0.062 30.410 30.300 0.081 0.000 0.884 31 R HN 0.237 nan 8.270 nan 0.000 0.447 32 E N 0.092 120.354 120.200 0.103 0.000 2.046 32 E HA -0.075 4.276 4.350 0.002 0.000 0.190 32 E C -0.058 176.607 176.600 0.108 0.000 0.982 32 E CA 1.258 57.708 56.400 0.084 0.000 0.800 32 E CB 0.148 29.873 29.700 0.042 0.000 0.756 32 E HN 0.187 nan 8.360 nan 0.000 0.449 33 D N 0.599 121.100 120.400 0.167 0.000 3.085 33 D HA 0.006 4.648 4.640 0.002 0.000 0.243 33 D C -0.173 176.271 176.300 0.239 0.000 1.232 33 D CA 0.117 54.260 54.000 0.239 0.000 0.913 33 D CB 0.112 41.133 40.800 0.369 0.000 1.108 33 D HN 0.240 nan 8.370 nan 0.000 0.468 34 D N -0.952 119.509 120.400 0.102 0.000 2.355 34 D HA -0.113 4.529 4.640 0.002 0.000 0.218 34 D C 1.405 177.494 176.300 -0.352 0.000 1.004 34 D CA 0.351 54.362 54.000 0.019 0.000 0.880 34 D CB 0.181 41.061 40.800 0.133 0.000 0.911 34 D HN 0.130 nan 8.370 nan 0.000 0.528 35 E N -0.389 119.567 120.200 -0.406 0.000 2.072 35 E HA -0.156 4.195 4.350 0.002 0.000 0.191 35 E C -0.043 176.304 176.600 -0.420 0.000 0.985 35 E CA 0.152 56.132 56.400 -0.700 0.000 0.801 35 E CB -0.300 29.196 29.700 -0.340 0.000 0.750 35 E HN 0.387 nan 8.360 nan 0.000 0.452 36 Y N 2.412 122.529 120.300 -0.306 0.000 2.969 36 Y HA -0.209 4.342 4.550 0.002 0.000 0.339 36 Y C 0.163 175.905 175.900 -0.264 0.000 1.272 36 Y CA 0.944 58.851 58.100 -0.322 0.000 1.577 36 Y CB 0.112 38.191 38.460 -0.635 0.000 1.234 36 Y HN 0.102 nan 8.280 nan 0.000 0.590 37 D N 5.322 125.205 120.400 -0.861 0.000 2.737 37 D HA -0.314 4.328 4.640 0.002 0.000 0.238 37 D C -0.298 175.854 176.300 -0.247 0.000 1.157 37 D CA 1.448 55.054 54.000 -0.656 0.000 0.694 37 D CB -1.382 38.899 40.800 -0.865 0.000 1.021 37 D HN 0.873 nan 8.370 nan 0.000 0.420 38 N N 0.308 118.928 118.700 -0.134 0.000 2.740 38 N HA -0.300 4.441 4.740 0.002 0.000 0.248 38 N C -0.211 175.391 175.510 0.153 0.000 1.062 38 N CA 1.069 54.137 53.050 0.030 0.000 0.704 38 N CB -1.273 37.228 38.487 0.023 0.000 0.968 38 N HN 0.660 nan 8.380 nan 0.000 0.547 39 Y N -2.893 117.387 120.300 -0.033 0.000 4.490 39 Y HA -0.282 4.270 4.550 0.004 0.000 0.233 39 Y C 1.528 177.436 175.900 0.012 0.000 1.101 39 Y CA 0.922 59.026 58.100 0.006 0.000 2.010 39 Y CB -1.851 36.622 38.460 0.021 0.000 1.622 39 Y HN 0.419 nan 8.280 nan 0.000 0.675 40 I N -0.498 120.107 120.570 0.057 0.000 2.584 40 I HA 0.143 4.314 4.170 0.002 0.000 0.255 40 I C 1.711 177.866 176.117 0.063 0.000 1.145 40 I CA 1.008 62.341 61.300 0.055 0.000 1.462 40 I CB -0.270 37.737 38.000 0.013 0.000 1.102 40 I HN 0.506 nan 8.210 nan 0.000 0.433 41 G N 0.042 108.864 108.800 0.037 0.000 2.796 41 G HA2 -0.299 3.662 3.960 0.002 0.000 0.571 41 G HA3 -0.299 3.662 3.960 0.002 0.000 0.571 41 G C -0.194 174.788 174.900 0.137 0.000 1.370 41 G CA -0.300 44.861 45.100 0.101 0.000 0.856 41 G HN 0.154 nan 8.290 nan 0.000 0.538 42 Y N 1.617 121.946 120.300 0.048 0.000 2.529 42 Y HA 0.214 4.765 4.550 0.002 0.000 0.290 42 Y C 2.772 178.527 175.900 -0.242 0.000 1.177 42 Y CA 1.457 59.445 58.100 -0.186 0.000 1.305 42 Y CB 0.074 38.114 38.460 -0.700 0.000 1.047 42 Y HN 0.788 nan 8.280 nan 0.000 0.522 43 G N 1.486 110.293 108.800 0.011 0.000 2.514 43 G HA2 -0.250 3.711 3.960 0.002 0.000 0.217 43 G HA3 -0.250 3.711 3.960 0.002 0.000 0.217 43 G C -0.589 174.332 174.900 0.036 0.000 1.198 43 G CA 0.915 46.011 45.100 -0.006 0.000 0.780 43 G HN 0.269 nan 8.290 nan 0.000 0.565 44 P HA -0.053 nan 4.420 nan 0.000 0.215 44 P C 2.103 179.481 177.300 0.129 0.000 1.153 44 P CA 0.685 63.852 63.100 0.111 0.000 0.853 44 P CB -0.104 31.675 31.700 0.131 0.000 0.788 45 V N -0.673 119.315 119.914 0.124 0.000 2.626 45 V HA -0.175 3.946 4.120 0.002 0.000 0.252 45 V C 2.047 178.183 176.094 0.070 0.000 1.067 45 V CA 1.486 63.855 62.300 0.115 0.000 1.081 45 V CB -0.992 30.917 31.823 0.144 0.000 0.686 45 V HN 0.021 nan 8.190 nan 0.000 0.468 46 L N -0.883 120.356 121.223 0.027 0.000 2.093 46 L HA -0.091 4.250 4.340 0.002 0.000 0.208 46 L C 2.394 179.344 176.870 0.134 0.000 1.085 46 L CA 1.187 56.041 54.840 0.024 0.000 0.755 46 L CB -0.493 41.523 42.059 -0.071 0.000 0.904 46 L HN 0.235 nan 8.230 nan 0.000 0.435 47 V N -0.410 119.608 119.914 0.172 0.000 2.719 47 V HA -0.182 3.940 4.120 0.002 0.000 0.252 47 V C 2.566 178.889 176.094 0.382 0.000 1.065 47 V CA 1.257 63.739 62.300 0.303 0.000 1.086 47 V CB -0.586 31.357 31.823 0.200 0.000 0.700 47 V HN 0.426 nan 8.190 nan 0.000 0.467 48 R N -0.140 120.536 120.500 0.292 0.000 2.075 48 R HA -0.130 4.211 4.340 0.002 0.000 0.232 48 R C 2.273 178.738 176.300 0.275 0.000 1.126 48 R CA 1.342 57.667 56.100 0.375 0.000 0.963 48 R CB -0.261 30.182 30.300 0.238 0.000 0.858 48 R HN 0.397 nan 8.270 nan 0.000 0.435 49 L N 0.884 122.160 121.223 0.088 0.000 2.046 49 L HA -0.032 4.310 4.340 0.002 0.000 0.208 49 L C 2.225 179.101 176.870 0.010 0.000 1.077 49 L CA 2.114 56.901 54.840 -0.088 0.000 0.747 49 L CB -1.010 40.965 42.059 -0.141 0.000 0.896 49 L HN 0.241 nan 8.230 nan 0.000 0.432 50 A N -0.591 122.341 122.820 0.185 0.000 1.933 50 A HA -0.264 4.058 4.320 0.002 0.000 0.218 50 A C 2.262 180.005 177.584 0.264 0.000 1.175 50 A CA 1.663 53.836 52.037 0.226 0.000 0.628 50 A CB -1.253 17.934 19.000 0.311 0.000 0.814 50 A HN 0.793 nan 8.150 nan 0.000 0.444 51 W N -0.141 121.303 121.300 0.240 0.000 2.407 51 W HA -0.154 4.507 4.660 0.002 0.000 0.305 51 W C 1.848 178.487 176.519 0.201 0.000 1.196 51 W CA 1.623 59.122 57.345 0.256 0.000 1.311 51 W CB -0.740 28.936 29.460 0.359 0.000 1.135 51 W HN 0.539 nan 8.180 nan 0.000 0.514 52 H N 1.353 120.151 119.070 -0.454 0.000 2.353 52 H HA -0.188 4.369 4.556 0.002 0.000 0.300 52 H C 2.332 177.420 175.328 -0.400 0.000 1.090 52 H CA 2.447 58.108 56.048 -0.645 0.000 1.327 52 H CB -0.075 29.416 29.762 -0.452 0.000 1.383 52 H HN 0.364 nan 8.280 nan 0.000 0.508 53 I N -1.357 119.129 120.570 -0.140 0.000 2.439 53 I HA -0.100 4.071 4.170 0.002 0.000 0.251 53 I C 2.143 178.264 176.117 0.007 0.000 1.139 53 I CA 1.216 62.489 61.300 -0.045 0.000 1.438 53 I CB -0.113 37.910 38.000 0.037 0.000 1.085 53 I HN -0.091 nan 8.210 nan 0.000 0.427 54 S N 1.304 116.999 115.700 -0.009 0.000 2.425 54 S HA 0.123 4.594 4.470 0.002 0.000 0.225 54 S C 1.971 176.590 174.600 0.031 0.000 1.024 54 S CA 0.838 59.053 58.200 0.026 0.000 0.951 54 S CB -0.376 62.855 63.200 0.051 0.000 0.796 54 S HN 0.707 nan 8.310 nan 0.000 0.498 55 G N 1.757 110.460 108.800 -0.161 0.000 2.776 55 G HA2 -0.085 3.876 3.960 0.002 0.000 0.209 55 G HA3 -0.085 3.876 3.960 0.002 0.000 0.209 55 G C 1.366 176.216 174.900 -0.084 0.000 1.145 55 G CA 1.193 46.148 45.100 -0.241 0.000 0.791 55 G HN 0.610 nan 8.290 nan 0.000 0.530 56 T N -3.564 110.970 114.554 -0.034 0.000 3.085 56 T HA -0.042 4.309 4.350 0.002 0.000 0.263 56 T C 0.980 175.764 174.700 0.139 0.000 1.127 56 T CA -0.513 61.612 62.100 0.042 0.000 1.103 56 T CB -0.115 68.788 68.868 0.058 0.000 0.921 56 T HN 0.193 nan 8.240 nan 0.000 0.510 57 W N 2.950 124.228 121.300 -0.035 0.000 2.231 57 W HA 0.364 5.026 4.660 0.002 0.000 0.341 57 W C -0.474 176.004 176.519 -0.069 0.000 1.298 57 W CA -0.184 57.143 57.345 -0.029 0.000 1.266 57 W CB 0.271 29.717 29.460 -0.022 0.000 1.172 57 W HN 0.049 nan 8.180 nan 0.000 0.568 58 D N 4.867 124.902 120.400 -0.608 0.000 2.542 58 D HA 0.073 4.715 4.640 0.002 0.000 0.252 58 D C 0.863 176.401 176.300 -1.270 0.000 1.222 58 D CA -0.405 53.173 54.000 -0.704 0.000 0.895 58 D CB 1.389 42.011 40.800 -0.296 0.000 1.207 58 D HN 0.587 nan 8.370 nan 0.000 0.558 59 K N 2.544 121.997 120.400 -1.578 0.000 2.211 59 K HA -0.145 4.176 4.320 0.002 0.000 0.203 59 K C 0.845 176.972 176.600 -0.788 0.000 1.050 59 K CA 1.134 56.513 56.287 -1.513 0.000 0.945 59 K CB -0.200 31.568 32.500 -1.219 0.000 0.732 59 K HN 0.420 nan 8.250 nan 0.000 0.451 60 H N 1.471 120.294 119.070 -0.412 0.000 2.421 60 H HA -0.080 4.477 4.556 0.002 0.000 0.298 60 H C 0.843 176.058 175.328 -0.189 0.000 1.087 60 H CA 1.530 57.434 56.048 -0.239 0.000 1.330 60 H CB 0.041 29.688 29.762 -0.192 0.000 1.388 60 H HN 0.652 nan 8.280 nan 0.000 0.526 61 D N -1.677 118.648 120.400 -0.125 0.000 2.520 61 D HA -0.023 4.618 4.640 0.002 0.000 0.223 61 D C -0.101 176.137 176.300 -0.103 0.000 1.186 61 D CA -0.196 53.750 54.000 -0.090 0.000 0.821 61 D CB -0.854 39.915 40.800 -0.051 0.000 1.072 61 D HN 0.388 nan 8.370 nan 0.000 0.518 62 N N 0.501 119.098 118.700 -0.172 0.000 2.735 62 N HA -0.191 4.550 4.740 0.002 0.000 0.248 62 N C -0.883 174.707 175.510 0.133 0.000 1.083 62 N CA 0.745 53.796 53.050 0.002 0.000 0.703 62 N CB -1.021 37.497 38.487 0.053 0.000 1.005 62 N HN 0.491 nan 8.380 nan 0.000 0.550 63 T N -1.601 112.974 114.554 0.035 0.000 2.882 63 T HA 0.649 5.000 4.350 0.002 0.000 0.287 63 T C 1.175 176.017 174.700 0.238 0.000 0.992 63 T CA 0.174 62.362 62.100 0.146 0.000 1.076 63 T CB 1.934 70.839 68.868 0.061 0.000 0.961 63 T HN 0.719 nan 8.240 nan 0.000 0.490 64 G N 1.302 110.272 108.800 0.283 0.000 2.562 64 G HA2 0.336 4.298 3.960 0.002 0.000 0.250 64 G HA3 0.336 4.298 3.960 0.002 0.000 0.250 64 G C 0.355 175.467 174.900 0.354 0.000 1.269 64 G CA 0.103 45.369 45.100 0.278 0.000 0.919 64 G HN 2.709 nan 8.290 nan 0.000 0.574 65 G N -2.760 106.212 108.800 0.286 0.000 2.660 65 G HA2 0.297 4.259 3.960 0.002 0.000 0.247 65 G HA3 0.297 4.259 3.960 0.002 0.000 0.247 65 G C 1.266 176.228 174.900 0.104 0.000 1.328 65 G CA 1.454 46.647 45.100 0.155 0.000 0.884 65 G HN 2.497 nan 8.290 nan 0.000 0.531 66 S N -1.395 114.331 115.700 0.043 0.000 2.461 66 S HA -0.038 4.433 4.470 0.002 0.000 0.228 66 S C 1.895 176.551 174.600 0.094 0.000 1.005 66 S CA 1.746 60.000 58.200 0.090 0.000 0.942 66 S CB -0.310 62.927 63.200 0.062 0.000 0.776 66 S HN 1.292 nan 8.310 nan 0.000 0.514 67 Y N 3.006 123.249 120.300 -0.095 0.000 2.002 67 Y HA -0.167 4.384 4.550 0.002 0.000 0.268 67 Y C 2.543 178.384 175.900 -0.099 0.000 1.177 67 Y CA 1.826 59.831 58.100 -0.158 0.000 1.111 67 Y CB -1.102 37.150 38.460 -0.345 0.000 0.952 67 Y HN 0.337 nan 8.280 nan 0.000 0.491 68 G N -1.728 107.076 108.800 0.007 0.000 2.484 68 G HA2 0.068 4.029 3.960 0.002 0.000 0.218 68 G HA3 0.068 4.029 3.960 0.002 0.000 0.218 68 G C 1.407 176.348 174.900 0.069 0.000 1.130 68 G CA 0.609 45.717 45.100 0.015 0.000 0.784 68 G HN 1.079 nan 8.290 nan 0.000 0.543 69 G N -0.056 108.823 108.800 0.131 0.000 2.203 69 G HA2 -0.315 3.646 3.960 0.002 0.000 0.263 69 G HA3 -0.315 3.646 3.960 0.002 0.000 0.263 69 G C 1.153 176.262 174.900 0.348 0.000 1.012 69 G CA 1.494 46.734 45.100 0.233 0.000 0.749 69 G HN 1.303 nan 8.290 nan 0.000 0.512 70 T N -2.875 111.894 114.554 0.357 0.000 3.320 70 T HA -0.031 4.320 4.350 0.002 0.000 0.258 70 T C 1.639 176.600 174.700 0.436 0.000 1.176 70 T CA 1.328 63.704 62.100 0.459 0.000 1.037 70 T CB -0.167 68.965 68.868 0.441 0.000 0.958 70 T HN 0.726 nan 8.240 nan 0.000 0.545 71 Y N 2.984 123.449 120.300 0.275 0.000 2.314 71 Y HA 0.033 4.585 4.550 0.002 0.000 0.293 71 Y C 2.449 178.399 175.900 0.083 0.000 1.129 71 Y CA 0.714 58.914 58.100 0.166 0.000 1.201 71 Y CB -0.370 38.102 38.460 0.020 0.000 0.999 71 Y HN 0.337 nan 8.280 nan 0.000 0.541 72 R N -0.494 119.911 120.500 -0.158 0.000 2.127 72 R HA -0.154 4.187 4.340 0.002 0.000 0.238 72 R C -0.011 175.880 176.300 -0.681 0.000 1.134 72 R CA 0.821 56.582 56.100 -0.565 0.000 0.975 72 R CB -1.151 29.076 30.300 -0.123 0.000 0.865 72 R HN 0.177 nan 8.270 nan 0.000 0.447 73 F N 1.782 121.620 119.950 -0.188 0.000 2.406 73 F HA 0.219 4.747 4.527 0.002 0.000 0.327 73 F C 1.707 177.417 175.800 -0.149 0.000 1.153 73 F CA -0.552 57.358 58.000 -0.149 0.000 1.218 73 F CB 0.702 39.681 39.000 -0.035 0.000 1.215 73 F HN -0.232 nan 8.300 nan 0.000 0.570 74 K N 0.731 121.195 120.400 0.107 0.000 2.089 74 K HA -0.214 4.108 4.320 0.002 0.000 0.210 74 K C 1.948 178.626 176.600 0.130 0.000 1.048 74 K CA 1.666 57.996 56.287 0.072 0.000 0.926 74 K CB -0.043 32.493 32.500 0.061 0.000 0.714 74 K HN 0.440 nan 8.250 nan 0.000 0.448 75 K N 0.490 120.968 120.400 0.129 0.000 2.026 75 K HA -0.188 4.133 4.320 0.002 0.000 0.208 75 K C 2.056 178.743 176.600 0.146 0.000 1.048 75 K CA 1.264 57.621 56.287 0.117 0.000 0.929 75 K CB -0.049 32.503 32.500 0.087 0.000 0.713 75 K HN 0.308 nan 8.250 nan 0.000 0.439 76 E N -0.213 120.104 120.200 0.196 0.000 2.385 76 E HA -0.069 4.282 4.350 0.002 0.000 0.194 76 E C 1.701 178.482 176.600 0.302 0.000 1.013 76 E CA 0.029 56.574 56.400 0.243 0.000 0.866 76 E CB 0.092 29.956 29.700 0.272 0.000 0.832 76 E HN 0.155 nan 8.360 nan 0.000 0.500 77 F N 1.601 121.551 119.950 0.000 0.000 2.206 77 F HA -0.004 4.524 4.527 0.002 0.000 0.298 77 F C 1.635 177.432 175.800 -0.005 0.000 1.090 77 F CA 1.029 58.934 58.000 -0.160 0.000 1.323 77 F CB 0.285 38.993 39.000 -0.486 0.000 1.028 77 F HN -0.039 nan 8.300 nan 0.000 0.492 78 N N 0.624 119.405 118.700 0.136 0.000 2.251 78 N HA -0.025 4.716 4.740 0.002 0.000 0.217 78 N C -0.642 174.905 175.510 0.060 0.000 1.124 78 N CA 0.084 53.178 53.050 0.072 0.000 0.843 78 N CB -0.360 38.190 38.487 0.105 0.000 1.024 78 N HN 0.244 nan 8.380 nan 0.000 0.501 79 D N 1.147 121.594 120.400 0.077 0.000 2.425 79 D HA 0.082 4.724 4.640 0.002 0.000 0.247 79 D C -1.579 174.757 176.300 0.060 0.000 1.147 79 D CA -1.648 52.398 54.000 0.078 0.000 0.879 79 D CB 1.588 42.449 40.800 0.103 0.000 1.179 79 D HN -0.007 nan 8.370 nan 0.000 0.456 80 P HA -0.113 nan 4.420 nan 0.000 0.220 80 P C 1.214 178.558 177.300 0.073 0.000 1.148 80 P CA 1.176 64.308 63.100 0.053 0.000 0.803 80 P CB 0.068 31.798 31.700 0.049 0.000 0.782 81 S N -1.537 114.221 115.700 0.097 0.000 2.469 81 S HA -0.121 4.351 4.470 0.002 0.000 0.238 81 S C 1.656 176.378 174.600 0.204 0.000 0.998 81 S CA 0.924 59.219 58.200 0.158 0.000 0.957 81 S CB -1.204 62.077 63.200 0.135 0.000 0.764 81 S HN 0.172 nan 8.310 nan 0.000 0.514 82 N N 1.780 120.545 118.700 0.108 0.000 2.383 82 N HA 0.242 4.983 4.740 0.002 0.000 0.192 82 N C 0.159 175.617 175.510 -0.086 0.000 1.141 82 N CA 0.334 53.375 53.050 -0.014 0.000 0.851 82 N CB 0.089 38.597 38.487 0.035 0.000 0.976 82 N HN 0.553 nan 8.380 nan 0.000 0.465 83 A N 0.037 122.839 122.820 -0.030 0.000 2.515 83 A HA 0.409 4.730 4.320 0.002 0.000 0.263 83 A C 1.346 178.902 177.584 -0.045 0.000 1.096 83 A CA 0.802 52.817 52.037 -0.037 0.000 0.769 83 A CB -0.215 18.788 19.000 0.005 0.000 1.040 83 A HN 0.401 nan 8.150 nan 0.000 0.505 84 G N 1.370 110.130 108.800 -0.067 0.000 2.238 84 G HA2 -0.228 3.734 3.960 0.002 0.000 0.217 84 G HA3 -0.228 3.734 3.960 0.002 0.000 0.217 84 G C 0.817 175.691 174.900 -0.043 0.000 0.996 84 G CA 0.246 45.311 45.100 -0.057 0.000 0.632 84 G HN 0.688 nan 8.290 nan 0.000 0.503 85 L N 0.718 121.884 121.223 -0.096 0.000 2.376 85 L HA -0.002 4.340 4.340 0.002 0.000 0.219 85 L C 2.901 179.783 176.870 0.020 0.000 1.133 85 L CA 1.553 56.339 54.840 -0.090 0.000 0.816 85 L CB -0.299 41.609 42.059 -0.251 0.000 0.933 85 L HN 0.282 nan 8.230 nan 0.000 0.449 86 Q N -0.030 119.731 119.800 -0.065 0.000 2.197 86 Q HA -0.195 4.146 4.340 0.002 0.000 0.207 86 Q C 1.871 177.998 176.000 0.211 0.000 0.984 86 Q CA 1.363 57.158 55.803 -0.014 0.000 0.869 86 Q CB -0.426 28.253 28.738 -0.099 0.000 0.906 86 Q HN 0.459 nan 8.270 nan 0.000 0.426 87 N N -0.234 118.556 118.700 0.150 0.000 2.223 87 N HA -0.089 4.652 4.740 0.002 0.000 0.185 87 N C 1.765 177.411 175.510 0.225 0.000 1.016 87 N CA 1.408 54.565 53.050 0.177 0.000 0.863 87 N CB -0.357 38.185 38.487 0.092 0.000 0.983 87 N HN 0.446 nan 8.380 nan 0.000 0.429 88 G N 0.123 109.041 108.800 0.196 0.000 2.403 88 G HA2 -0.204 3.757 3.960 0.002 0.000 0.216 88 G HA3 -0.204 3.757 3.960 0.002 0.000 0.216 88 G C 1.342 176.405 174.900 0.271 0.000 1.154 88 G CA 0.009 45.212 45.100 0.171 0.000 0.784 88 G HN 0.244 nan 8.290 nan 0.000 0.538 89 F N 1.436 121.515 119.950 0.216 0.000 2.146 89 F HA 0.130 4.659 4.527 0.002 0.000 0.298 89 F C 2.618 178.552 175.800 0.224 0.000 1.096 89 F CA 1.434 59.609 58.000 0.292 0.000 1.275 89 F CB -0.002 39.265 39.000 0.445 0.000 1.008 89 F HN -0.025 nan 8.300 nan 0.000 0.480 90 K N -0.679 119.856 120.400 0.224 0.000 2.097 90 K HA -0.219 4.102 4.320 0.002 0.000 0.206 90 K C 2.136 178.691 176.600 -0.075 0.000 1.049 90 K CA 1.739 58.062 56.287 0.060 0.000 0.933 90 K CB -0.642 31.936 32.500 0.131 0.000 0.717 90 K HN 0.350 nan 8.250 nan 0.000 0.442 91 F N 1.533 121.335 119.950 -0.246 0.000 2.113 91 F HA -0.124 4.405 4.527 0.002 0.000 0.297 91 F C 1.776 177.410 175.800 -0.277 0.000 1.103 91 F CA 1.239 58.990 58.000 -0.414 0.000 1.248 91 F CB -0.048 38.579 39.000 -0.621 0.000 0.999 91 F HN -0.131 nan 8.300 nan 0.000 0.475 92 L N -0.113 121.126 121.223 0.027 0.000 2.313 92 L HA -0.093 4.248 4.340 0.002 0.000 0.214 92 L C 2.273 179.039 176.870 -0.174 0.000 1.119 92 L CA 1.012 55.833 54.840 -0.033 0.000 0.809 92 L CB -0.691 41.478 42.059 0.183 0.000 0.933 92 L HN 0.218 nan 8.230 nan 0.000 0.449 93 E N 0.611 120.625 120.200 -0.310 0.000 2.153 93 E HA -0.181 4.171 4.350 0.002 0.000 0.194 93 E C -0.720 175.758 176.600 -0.202 0.000 0.988 93 E CA 0.871 57.087 56.400 -0.307 0.000 0.811 93 E CB -0.230 29.210 29.700 -0.434 0.000 0.746 93 E HN 0.361 nan 8.360 nan 0.000 0.466 94 P HA -0.027 nan 4.420 nan 0.000 0.227 94 P C 0.895 178.086 177.300 -0.181 0.000 1.161 94 P CA 0.850 63.828 63.100 -0.204 0.000 0.788 94 P CB 0.142 31.699 31.700 -0.238 0.000 0.822 95 I N -1.841 118.623 120.570 -0.177 0.000 2.500 95 I HA -0.196 3.975 4.170 0.002 0.000 0.252 95 I C 2.360 178.486 176.117 0.015 0.000 1.142 95 I CA 1.198 62.450 61.300 -0.081 0.000 1.451 95 I CB -0.578 37.347 38.000 -0.125 0.000 1.093 95 I HN 0.085 nan 8.210 nan 0.000 0.430 96 H N 0.994 119.968 119.070 -0.161 0.000 2.395 96 H HA -0.111 4.446 4.556 0.002 0.000 0.299 96 H C 2.006 177.221 175.328 -0.189 0.000 1.070 96 H CA 0.992 56.928 56.048 -0.186 0.000 1.356 96 H CB 0.404 30.038 29.762 -0.212 0.000 1.401 96 H HN 0.018 nan 8.280 nan 0.000 0.524 97 K N 0.382 120.735 120.400 -0.078 0.000 2.288 97 K HA -0.085 4.236 4.320 0.002 0.000 0.201 97 K C 1.951 178.441 176.600 -0.183 0.000 1.048 97 K CA 0.777 56.974 56.287 -0.150 0.000 0.956 97 K CB 0.217 32.624 32.500 -0.155 0.000 0.746 97 K HN 0.343 nan 8.250 nan 0.000 0.461 98 E N -0.920 119.138 120.200 -0.236 0.000 2.158 98 E HA -0.032 4.319 4.350 0.002 0.000 0.191 98 E C -0.578 175.586 176.600 -0.726 0.000 0.982 98 E CA 0.612 56.733 56.400 -0.466 0.000 0.823 98 E CB 0.330 29.718 29.700 -0.520 0.000 0.766 98 E HN 0.121 nan 8.360 nan 0.000 0.468 99 F N 0.479 120.299 119.950 -0.216 0.000 2.622 99 F HA 0.283 4.811 4.527 0.002 0.000 0.338 99 F C -1.932 173.529 175.800 -0.565 0.000 1.334 99 F CA -1.970 55.753 58.000 -0.462 0.000 1.179 99 F CB 1.728 40.291 39.000 -0.729 0.000 1.471 99 F HN -0.043 nan 8.300 nan 0.000 0.576 100 P HA -0.138 nan 4.420 nan 0.000 0.230 100 P C 1.331 178.626 177.300 -0.008 0.000 1.158 100 P CA 1.160 64.216 63.100 -0.073 0.000 0.769 100 P CB -0.034 31.640 31.700 -0.044 0.000 0.807 101 W N -0.385 120.975 121.300 0.099 0.000 2.518 101 W HA 0.188 4.849 4.660 0.002 0.000 0.273 101 W C 0.835 177.413 176.519 0.099 0.000 1.247 101 W CA -0.466 56.924 57.345 0.074 0.000 1.288 101 W CB -1.344 28.139 29.460 0.039 0.000 1.107 101 W HN -0.174 nan 8.180 nan 0.000 0.586 102 I N 4.073 124.390 120.570 -0.422 0.000 2.588 102 I HA -0.008 4.163 4.170 0.002 0.000 0.283 102 I C 1.116 177.184 176.117 -0.083 0.000 1.119 102 I CA 0.035 61.160 61.300 -0.293 0.000 1.419 102 I CB 0.980 38.551 38.000 -0.715 0.000 1.394 102 I HN -0.111 nan 8.210 nan 0.000 0.562 103 S N 4.364 120.071 115.700 0.011 0.000 2.593 103 S HA 0.132 4.604 4.470 0.002 0.000 0.269 103 S C 1.043 175.495 174.600 -0.247 0.000 1.334 103 S CA -0.443 57.730 58.200 -0.044 0.000 1.015 103 S CB 1.601 64.780 63.200 -0.036 0.000 0.912 103 S HN 0.728 nan 8.310 nan 0.000 0.541 104 S N 2.187 117.718 115.700 -0.281 0.000 2.370 104 S HA -0.029 4.443 4.470 0.002 0.000 0.226 104 S C 2.138 176.256 174.600 -0.803 0.000 1.033 104 S CA 1.361 59.154 58.200 -0.679 0.000 1.011 104 S CB -1.189 61.738 63.200 -0.454 0.000 0.852 104 S HN 0.960 nan 8.310 nan 0.000 0.457 105 G N 1.585 110.199 108.800 -0.310 0.000 2.418 105 G HA2 -0.226 3.735 3.960 0.002 0.000 0.217 105 G HA3 -0.226 3.735 3.960 0.002 0.000 0.217 105 G C 1.061 175.980 174.900 0.030 0.000 1.158 105 G CA 1.054 46.116 45.100 -0.065 0.000 0.771 105 G HN 0.371 nan 8.290 nan 0.000 0.545 106 D N -0.074 120.348 120.400 0.036 0.000 2.097 106 D HA -0.082 4.559 4.640 0.002 0.000 0.195 106 D C 2.389 178.826 176.300 0.228 0.000 0.989 106 D CA 0.539 54.734 54.000 0.326 0.000 0.827 106 D CB -0.317 40.724 40.800 0.401 0.000 0.966 106 D HN 0.235 nan 8.370 nan 0.000 0.456 107 L N -0.030 121.121 121.223 -0.120 0.000 2.017 107 L HA -0.131 4.210 4.340 0.002 0.000 0.208 107 L C 1.976 178.844 176.870 -0.004 0.000 1.073 107 L CA 1.491 56.195 54.840 -0.228 0.000 0.745 107 L CB -0.594 41.145 42.059 -0.533 0.000 0.894 107 L HN -0.117 nan 8.230 nan 0.000 0.432 108 F N 0.174 120.143 119.950 0.032 0.000 2.095 108 F HA -0.197 4.332 4.527 0.002 0.000 0.298 108 F C 2.952 178.810 175.800 0.096 0.000 1.104 108 F CA 1.257 59.310 58.000 0.088 0.000 1.232 108 F CB -1.813 37.270 39.000 0.139 0.000 0.987 108 F HN 0.368 nan 8.300 nan 0.000 0.475 109 S N 0.051 115.954 115.700 0.338 0.000 2.387 109 S HA -0.124 4.347 4.470 0.002 0.000 0.226 109 S C 1.987 176.714 174.600 0.211 0.000 1.026 109 S CA 0.837 59.221 58.200 0.307 0.000 0.972 109 S CB -0.982 62.464 63.200 0.410 0.000 0.814 109 S HN 0.250 nan 8.310 nan 0.000 0.477 110 L N 2.824 124.050 121.223 0.006 0.000 2.141 110 L HA 0.245 4.586 4.340 0.002 0.000 0.209 110 L C 2.360 179.099 176.870 -0.218 0.000 1.094 110 L CA 1.648 56.193 54.840 -0.492 0.000 0.763 110 L CB -1.459 40.104 42.059 -0.827 0.000 0.908 110 L HN 0.397 nan 8.230 nan 0.000 0.437 111 G N -1.045 107.723 108.800 -0.053 0.000 2.422 111 G HA2 -0.206 3.756 3.960 0.002 0.000 0.218 111 G HA3 -0.206 3.756 3.960 0.002 0.000 0.218 111 G C 1.488 176.418 174.900 0.049 0.000 1.146 111 G CA 0.596 45.696 45.100 0.001 0.000 0.769 111 G HN 0.570 nan 8.290 nan 0.000 0.547 112 G N 0.311 109.208 108.800 0.162 0.000 2.394 112 G HA2 -0.094 3.868 3.960 0.002 0.000 0.214 112 G HA3 -0.094 3.868 3.960 0.002 0.000 0.214 112 G C 1.760 176.873 174.900 0.355 0.000 1.176 112 G CA 1.066 46.367 45.100 0.335 0.000 0.786 112 G HN 0.288 nan 8.290 nan 0.000 0.533 113 V N 1.209 121.314 119.914 0.319 0.000 2.343 113 V HA -0.185 3.936 4.120 0.002 0.000 0.247 113 V C 3.180 179.372 176.094 0.163 0.000 1.051 113 V CA 2.367 64.847 62.300 0.299 0.000 1.036 113 V CB -0.838 31.139 31.823 0.257 0.000 0.654 113 V HN 0.394 nan 8.190 nan 0.000 0.451 114 T N 0.349 114.902 114.554 -0.003 0.000 2.737 114 T HA -0.139 4.212 4.350 0.002 0.000 0.265 114 T C 2.089 176.685 174.700 -0.172 0.000 1.038 114 T CA 1.554 63.493 62.100 -0.269 0.000 1.144 114 T CB -0.452 68.058 68.868 -0.597 0.000 0.866 114 T HN 0.567 nan 8.240 nan 0.000 0.434 115 A N 1.122 123.890 122.820 -0.087 0.000 1.883 115 A HA -0.074 4.247 4.320 0.002 0.000 0.217 115 A C 2.604 180.157 177.584 -0.053 0.000 1.186 115 A CA 1.537 53.541 52.037 -0.055 0.000 0.624 115 A CB -1.112 17.879 19.000 -0.014 0.000 0.822 115 A HN 0.349 nan 8.150 nan 0.000 0.444 116 V N 0.018 119.878 119.914 -0.089 0.000 2.295 116 V HA -0.318 3.803 4.120 0.002 0.000 0.246 116 V C 2.655 178.588 176.094 -0.269 0.000 1.049 116 V CA 2.271 64.396 62.300 -0.291 0.000 1.024 116 V CB -0.949 30.584 31.823 -0.483 0.000 0.648 116 V HN 0.642 nan 8.190 nan 0.000 0.447 117 Q N -0.637 119.104 119.800 -0.100 0.000 2.119 117 Q HA -0.173 4.168 4.340 0.002 0.000 0.201 117 Q C 2.240 178.263 176.000 0.038 0.000 0.972 117 Q CA 1.153 56.953 55.803 -0.005 0.000 0.847 117 Q CB -0.170 28.683 28.738 0.191 0.000 0.903 117 Q HN 0.577 nan 8.270 nan 0.000 0.433 118 E N 0.186 120.404 120.200 0.029 0.000 2.347 118 E HA -0.049 4.302 4.350 0.002 0.000 0.196 118 E C 1.097 177.723 176.600 0.043 0.000 1.008 118 E CA 0.767 57.189 56.400 0.036 0.000 0.852 118 E CB 0.110 29.799 29.700 -0.018 0.000 0.783 118 E HN 0.432 nan 8.360 nan 0.000 0.505 119 M N 0.031 119.648 119.600 0.029 0.000 2.637 119 M HA 0.091 4.572 4.480 0.002 0.000 0.286 119 M C -0.340 176.018 176.300 0.097 0.000 1.246 119 M CA 0.121 55.463 55.300 0.071 0.000 0.978 119 M CB 0.229 32.884 32.600 0.092 0.000 1.417 119 M HN -0.099 nan 8.290 nan 0.000 0.487 120 Q N -0.869 118.973 119.800 0.070 0.000 2.489 120 Q HA -0.142 4.200 4.340 0.002 0.000 0.259 120 Q C 0.443 176.489 176.000 0.077 0.000 0.934 120 Q CA 0.397 56.261 55.803 0.102 0.000 1.131 120 Q CB -1.969 26.863 28.738 0.157 0.000 1.472 120 Q HN 0.774 nan 8.270 nan 0.000 0.560 121 G N 0.886 109.576 108.800 -0.182 0.000 2.543 121 G HA2 0.563 4.524 3.960 0.002 0.000 0.290 121 G HA3 0.563 4.524 3.960 0.002 0.000 0.290 121 G C -2.170 172.318 174.900 -0.687 0.000 1.310 121 G CA -0.805 43.856 45.100 -0.731 0.000 1.025 121 G HN 0.040 nan 8.290 nan 0.000 0.502 122 P HA 0.184 nan 4.420 nan 0.000 0.272 122 P C -0.734 176.423 177.300 -0.239 0.000 1.240 122 P CA -0.376 62.445 63.100 -0.465 0.000 0.791 122 P CB 0.770 32.185 31.700 -0.475 0.000 0.978 123 K N 1.640 121.988 120.400 -0.087 0.000 2.339 123 K HA 0.364 4.686 4.320 0.002 0.000 0.286 123 K C 0.115 176.712 176.600 -0.004 0.000 1.050 123 K CA -0.237 56.038 56.287 -0.019 0.000 0.956 123 K CB 0.089 32.591 32.500 0.003 0.000 0.990 123 K HN 0.464 nan 8.250 nan 0.000 0.475 124 I N 6.041 126.647 120.570 0.059 0.000 2.354 124 I HA 0.200 4.371 4.170 0.002 0.000 0.286 124 I C -2.173 174.029 176.117 0.141 0.000 1.007 124 I CA -2.402 58.962 61.300 0.108 0.000 1.167 124 I CB 1.698 39.824 38.000 0.210 0.000 1.320 124 I HN 0.164 nan 8.210 nan 0.000 0.458 125 P HA -0.005 nan 4.420 nan 0.000 0.268 125 P C -1.307 176.064 177.300 0.118 0.000 1.204 125 P CA 0.097 63.214 63.100 0.029 0.000 0.768 125 P CB 0.406 32.066 31.700 -0.066 0.000 0.842 126 W N 4.554 125.803 121.300 -0.086 0.000 2.883 126 W HA 0.471 5.133 4.660 0.002 0.000 0.335 126 W C -0.976 175.445 176.519 -0.164 0.000 1.083 126 W CA -0.635 56.695 57.345 -0.026 0.000 1.233 126 W CB 1.657 31.259 29.460 0.238 0.000 1.412 126 W HN 0.209 nan 8.180 nan 0.000 0.490 127 R N 4.387 124.303 120.500 -0.974 0.000 2.589 127 R HA 0.592 4.934 4.340 0.002 0.000 0.293 127 R C -0.085 175.353 176.300 -1.437 0.000 0.963 127 R CA -0.720 54.741 56.100 -1.065 0.000 0.905 127 R CB 1.234 30.946 30.300 -0.980 0.000 1.144 127 R HN 0.672 nan 8.270 nan 0.000 0.459 128 C N -0.715 117.961 119.300 -1.041 0.000 2.365 128 C HA 0.911 5.372 4.460 0.002 0.000 0.374 128 C C 1.346 176.206 174.990 -0.216 0.000 1.318 128 C CA 0.463 59.016 59.018 -0.775 0.000 2.239 128 C CB 0.575 27.972 27.740 -0.572 0.000 2.144 128 C HN 1.033 nan 8.230 nan 0.000 0.581 129 G N 0.214 108.984 108.800 -0.050 0.000 2.205 129 G HA2 -0.102 3.859 3.960 0.002 0.000 0.180 129 G HA3 -0.102 3.859 3.960 0.002 0.000 0.180 129 G C -0.002 174.870 174.900 -0.046 0.000 1.004 129 G CA -0.332 44.786 45.100 0.029 0.000 0.670 129 G HN 0.941 nan 8.290 nan 0.000 0.496 130 R N 0.166 120.592 120.500 -0.124 0.000 2.537 130 R HA 0.487 4.828 4.340 0.002 0.000 0.280 130 R C -0.174 175.845 176.300 -0.467 0.000 1.058 130 R CA 0.069 55.946 56.100 -0.371 0.000 1.057 130 R CB 1.340 31.502 30.300 -0.229 0.000 0.973 130 R HN 0.087 nan 8.270 nan 0.000 0.438 131 V N 2.808 122.143 119.914 -0.964 0.000 2.540 131 V HA 0.090 4.211 4.120 0.002 0.000 0.302 131 V C -0.536 175.305 176.094 -0.422 0.000 1.035 131 V CA -1.019 60.976 62.300 -0.509 0.000 0.873 131 V CB 1.970 33.627 31.823 -0.277 0.000 0.992 131 V HN 0.664 nan 8.190 nan 0.000 0.428 132 D N 3.215 123.519 120.400 -0.160 0.000 2.434 132 D HA 0.276 4.917 4.640 0.002 0.000 0.252 132 D C 0.567 176.895 176.300 0.047 0.000 1.185 132 D CA 0.529 54.506 54.000 -0.039 0.000 0.886 132 D CB 0.903 41.709 40.800 0.010 0.000 1.148 132 D HN 0.792 nan 8.370 nan 0.000 0.483 133 T N 0.004 114.628 114.554 0.117 0.000 2.888 133 T HA 0.649 5.000 4.350 0.002 0.000 0.284 133 T C -2.545 172.303 174.700 0.247 0.000 1.017 133 T CA -2.225 59.978 62.100 0.172 0.000 1.022 133 T CB 1.915 70.893 68.868 0.183 0.000 1.013 133 T HN -0.094 nan 8.240 nan 0.000 0.465 134 P HA 0.176 nan 4.420 nan 0.000 0.272 134 P C 0.914 177.982 177.300 -0.387 0.000 1.248 134 P CA -0.360 62.726 63.100 -0.023 0.000 0.799 134 P CB 0.396 32.076 31.700 -0.033 0.000 0.997 135 E N 0.377 120.042 120.200 -0.892 0.000 2.171 135 E HA -0.248 4.103 4.350 0.002 0.000 0.197 135 E C 1.202 177.548 176.600 -0.423 0.000 0.997 135 E CA 1.382 57.143 56.400 -1.064 0.000 0.810 135 E CB -0.133 29.151 29.700 -0.694 0.000 0.738 135 E HN 0.546 nan 8.360 nan 0.000 0.467 136 D N -0.813 119.447 120.400 -0.234 0.000 2.348 136 D HA -0.091 4.551 4.640 0.002 0.000 0.211 136 D C 1.664 177.942 176.300 -0.038 0.000 0.998 136 D CA 1.229 55.165 54.000 -0.106 0.000 0.873 136 D CB -0.102 40.657 40.800 -0.069 0.000 0.925 136 D HN 0.137 nan 8.370 nan 0.000 0.524 137 T N -2.364 112.179 114.554 -0.018 0.000 3.113 137 T HA -0.001 4.350 4.350 0.002 0.000 0.256 137 T C 0.904 175.655 174.700 0.084 0.000 1.131 137 T CA -0.021 62.117 62.100 0.065 0.000 1.074 137 T CB -0.819 68.121 68.868 0.119 0.000 0.944 137 T HN -0.117 nan 8.240 nan 0.000 0.516 138 T N 5.023 119.601 114.554 0.040 0.000 2.792 138 T HA 0.242 4.593 4.350 0.002 0.000 0.286 138 T C -2.359 172.391 174.700 0.083 0.000 0.970 138 T CA -0.679 61.473 62.100 0.087 0.000 1.187 138 T CB 0.478 69.378 68.868 0.053 0.000 0.915 138 T HN 0.326 nan 8.240 nan 0.000 0.529 139 P HA 0.215 nan 4.420 nan 0.000 0.271 139 P C -0.273 177.075 177.300 0.080 0.000 1.218 139 P CA -0.540 62.615 63.100 0.093 0.000 0.780 139 P CB 0.494 32.258 31.700 0.107 0.000 0.901 140 D N 1.432 121.869 120.400 0.062 0.000 2.372 140 D HA 0.097 4.739 4.640 0.002 0.000 0.243 140 D C 0.300 176.636 176.300 0.060 0.000 1.121 140 D CA 0.239 54.272 54.000 0.055 0.000 0.898 140 D CB 0.068 40.894 40.800 0.043 0.000 1.202 140 D HN 0.233 nan 8.370 nan 0.000 0.428 141 N N 0.062 118.798 118.700 0.060 0.000 2.416 141 N HA 0.368 5.109 4.740 0.002 0.000 0.246 141 N C 1.168 176.712 175.510 0.056 0.000 1.260 141 N CA 0.752 53.838 53.050 0.061 0.000 0.897 141 N CB 0.710 39.233 38.487 0.061 0.000 1.110 141 N HN 0.589 nan 8.380 nan 0.000 0.439 142 G N 0.313 109.146 108.800 0.054 0.000 2.134 142 G HA2 -0.253 3.708 3.960 0.002 0.000 0.209 142 G HA3 -0.253 3.708 3.960 0.002 0.000 0.209 142 G C 0.810 175.754 174.900 0.074 0.000 0.993 142 G CA -0.155 44.982 45.100 0.061 0.000 0.669 142 G HN 0.571 nan 8.290 nan 0.000 0.519 143 R N -1.170 119.367 120.500 0.063 0.000 2.290 143 R HA 0.306 4.647 4.340 0.002 0.000 0.197 143 R C 0.765 177.140 176.300 0.124 0.000 0.913 143 R CA -0.064 56.094 56.100 0.098 0.000 1.040 143 R CB 0.191 30.532 30.300 0.068 0.000 0.992 143 R HN 0.276 nan 8.270 nan 0.000 0.500 144 L N 2.328 123.533 121.223 -0.031 0.000 2.399 144 L HA 0.340 4.682 4.340 0.002 0.000 0.266 144 L C -1.930 174.769 176.870 -0.285 0.000 1.114 144 L CA -2.395 52.306 54.840 -0.232 0.000 0.804 144 L CB 0.801 42.640 42.059 -0.366 0.000 1.146 144 L HN -0.059 nan 8.230 nan 0.000 0.451 145 P HA 0.094 nan 4.420 nan 0.000 0.274 145 P C -0.851 176.406 177.300 -0.071 0.000 1.237 145 P CA -0.474 62.340 63.100 -0.475 0.000 0.793 145 P CB 1.028 32.207 31.700 -0.869 0.000 0.977 146 D N 0.625 121.037 120.400 0.020 0.000 2.232 146 D HA 0.256 4.897 4.640 0.002 0.000 0.242 146 D C 0.818 177.065 176.300 -0.088 0.000 1.093 146 D CA -0.440 53.522 54.000 -0.063 0.000 0.845 146 D CB 1.647 42.340 40.800 -0.178 0.000 1.124 146 D HN 0.307 nan 8.370 nan 0.000 0.467 147 A N 3.470 126.294 122.820 0.007 0.000 2.167 147 A HA -0.125 4.196 4.320 0.002 0.000 0.214 147 A C 1.549 179.116 177.584 -0.029 0.000 1.151 147 A CA 0.618 52.642 52.037 -0.022 0.000 0.735 147 A CB 0.030 18.942 19.000 -0.146 0.000 0.802 147 A HN 0.574 nan 8.150 nan 0.000 0.467 148 D N -0.340 120.070 120.400 0.017 0.000 2.363 148 D HA 0.003 4.644 4.640 0.002 0.000 0.226 148 D C 0.589 176.897 176.300 0.014 0.000 1.020 148 D CA 0.514 54.554 54.000 0.068 0.000 0.892 148 D CB 0.076 40.948 40.800 0.121 0.000 0.900 148 D HN 0.114 nan 8.370 nan 0.000 0.531 149 K N 0.748 121.113 120.400 -0.059 0.000 2.177 149 K HA 0.280 4.601 4.320 0.002 0.000 0.238 149 K C 0.265 176.918 176.600 0.087 0.000 1.015 149 K CA -0.561 55.665 56.287 -0.102 0.000 0.922 149 K CB 0.738 32.918 32.500 -0.534 0.000 1.127 149 K HN 0.139 nan 8.250 nan 0.000 0.469 150 D N -1.732 118.763 120.400 0.157 0.000 2.592 150 D HA 0.335 4.976 4.640 0.002 0.000 0.259 150 D C 0.687 177.161 176.300 0.291 0.000 1.144 150 D CA -0.647 53.482 54.000 0.216 0.000 1.080 150 D CB 0.399 41.312 40.800 0.188 0.000 1.225 150 D HN 0.291 nan 8.370 nan 0.000 0.619 151 A N -0.161 122.822 122.820 0.271 0.000 1.908 151 A HA 0.026 4.347 4.320 0.002 0.000 0.218 151 A C 2.058 179.840 177.584 0.329 0.000 1.181 151 A CA 2.248 54.492 52.037 0.345 0.000 0.627 151 A CB -1.576 17.592 19.000 0.281 0.000 0.818 151 A HN 0.682 nan 8.150 nan 0.000 0.445 152 G N -1.906 107.037 108.800 0.239 0.000 2.432 152 G HA2 -0.261 3.701 3.960 0.002 0.000 0.219 152 G HA3 -0.261 3.701 3.960 0.002 0.000 0.219 152 G C 1.535 176.592 174.900 0.262 0.000 1.135 152 G CA 1.280 46.500 45.100 0.200 0.000 0.767 152 G HN 0.626 nan 8.290 nan 0.000 0.550 153 Y N 1.041 121.458 120.300 0.196 0.000 2.220 153 Y HA -0.039 4.512 4.550 0.002 0.000 0.291 153 Y C 2.773 178.857 175.900 0.307 0.000 1.129 153 Y CA 1.371 59.599 58.100 0.215 0.000 1.161 153 Y CB -0.196 38.371 38.460 0.177 0.000 0.997 153 Y HN 0.024 nan 8.280 nan 0.000 0.522 154 V N 1.202 121.435 119.914 0.531 0.000 2.332 154 V HA -0.327 3.794 4.120 0.002 0.000 0.248 154 V C 2.530 178.981 176.094 0.594 0.000 1.055 154 V CA 2.372 65.016 62.300 0.574 0.000 1.038 154 V CB -0.775 31.357 31.823 0.514 0.000 0.651 154 V HN 0.371 nan 8.190 nan 0.000 0.450 155 R N -0.188 120.600 120.500 0.480 0.000 2.062 155 R HA -0.157 4.184 4.340 0.002 0.000 0.231 155 R C 2.408 178.857 176.300 0.248 0.000 1.136 155 R CA 2.137 58.464 56.100 0.379 0.000 0.948 155 R CB -0.541 29.881 30.300 0.204 0.000 0.845 155 R HN 0.500 nan 8.270 nan 0.000 0.430 156 T N 0.711 115.357 114.554 0.153 0.000 2.788 156 T HA -0.151 4.200 4.350 0.002 0.000 0.268 156 T C 1.291 175.980 174.700 -0.019 0.000 1.044 156 T CA 1.443 63.576 62.100 0.054 0.000 1.139 156 T CB -0.334 68.549 68.868 0.025 0.000 0.867 156 T HN 0.296 nan 8.240 nan 0.000 0.454 157 F N 1.108 120.962 119.950 -0.160 0.000 2.075 157 F HA -0.063 4.465 4.527 0.002 0.000 0.297 157 F C 1.636 177.367 175.800 -0.115 0.000 1.113 157 F CA 1.300 59.144 58.000 -0.261 0.000 1.218 157 F CB -0.450 38.274 39.000 -0.460 0.000 0.984 157 F HN 0.088 nan 8.300 nan 0.000 0.472 158 F N 0.924 120.809 119.950 -0.107 0.000 2.546 158 F HA -0.126 4.402 4.527 0.002 0.000 0.298 158 F C 2.395 178.135 175.800 -0.101 0.000 1.120 158 F CA 1.154 59.097 58.000 -0.094 0.000 1.456 158 F CB -0.724 38.364 39.000 0.148 0.000 1.088 158 F HN 0.127 nan 8.300 nan 0.000 0.572 159 Q N -0.375 119.455 119.800 0.050 0.000 2.167 159 Q HA -0.177 4.164 4.340 0.002 0.000 0.202 159 Q C 2.329 178.275 176.000 -0.091 0.000 0.970 159 Q CA 0.894 56.710 55.803 0.023 0.000 0.855 159 Q CB -0.184 28.571 28.738 0.028 0.000 0.911 159 Q HN 0.327 nan 8.270 nan 0.000 0.438 160 R N 0.422 120.785 120.500 -0.228 0.000 2.193 160 R HA -0.064 4.277 4.340 0.002 0.000 0.229 160 R C 1.218 177.315 176.300 -0.339 0.000 1.110 160 R CA 0.738 56.624 56.100 -0.356 0.000 0.988 160 R CB 0.120 30.164 30.300 -0.425 0.000 0.871 160 R HN 0.247 nan 8.270 nan 0.000 0.458 161 L N 0.369 121.508 121.223 -0.140 0.000 2.700 161 L HA 0.110 4.452 4.340 0.002 0.000 0.234 161 L C 0.203 177.285 176.870 0.353 0.000 1.156 161 L CA -0.224 54.747 54.840 0.219 0.000 0.946 161 L CB -0.020 42.173 42.059 0.222 0.000 1.216 161 L HN 0.217 nan 8.230 nan 0.000 0.493 162 N N 0.739 119.553 118.700 0.191 0.000 2.714 162 N HA -0.192 4.549 4.740 0.002 0.000 0.250 162 N C -0.332 175.279 175.510 0.168 0.000 1.117 162 N CA 0.792 53.949 53.050 0.178 0.000 0.719 162 N CB -0.402 38.249 38.487 0.274 0.000 1.081 162 N HN 0.104 nan 8.380 nan 0.000 0.557 163 M N 0.771 120.488 119.600 0.195 0.000 2.238 163 M HA 0.304 4.786 4.480 0.002 0.000 0.350 163 M C 0.730 177.113 176.300 0.138 0.000 1.138 163 M CA -0.630 54.775 55.300 0.175 0.000 1.040 163 M CB 1.149 33.900 32.600 0.251 0.000 1.639 163 M HN 0.313 nan 8.290 nan 0.000 0.451 164 N N 1.279 120.037 118.700 0.096 0.000 2.405 164 N HA 0.206 4.947 4.740 0.002 0.000 0.269 164 N C 0.168 175.743 175.510 0.108 0.000 1.249 164 N CA -0.363 52.742 53.050 0.092 0.000 0.974 164 N CB 0.436 38.963 38.487 0.068 0.000 1.204 164 N HN 0.359 nan 8.380 nan 0.000 0.565 165 D N -0.601 119.877 120.400 0.131 0.000 2.133 165 D HA -0.186 4.455 4.640 0.002 0.000 0.195 165 D C 1.728 178.135 176.300 0.178 0.000 0.997 165 D CA 1.386 55.526 54.000 0.233 0.000 0.840 165 D CB -0.163 40.719 40.800 0.137 0.000 0.947 165 D HN 0.648 nan 8.370 nan 0.000 0.452 166 R N 0.748 121.313 120.500 0.109 0.000 2.081 166 R HA -0.110 4.231 4.340 0.002 0.000 0.235 166 R C 2.008 178.393 176.300 0.142 0.000 1.131 166 R CA 1.337 57.506 56.100 0.116 0.000 0.960 166 R CB 0.027 30.390 30.300 0.105 0.000 0.856 166 R HN 0.177 nan 8.270 nan 0.000 0.436 167 E N -0.149 120.098 120.200 0.078 0.000 2.110 167 E HA -0.177 4.174 4.350 0.002 0.000 0.193 167 E C 1.987 178.532 176.600 -0.092 0.000 0.988 167 E CA 1.552 57.969 56.400 0.028 0.000 0.804 167 E CB -0.025 29.689 29.700 0.022 0.000 0.745 167 E HN 0.382 nan 8.360 nan 0.000 0.458 168 V N -1.080 118.703 119.914 -0.217 0.000 2.453 168 V HA -0.139 3.982 4.120 0.002 0.000 0.247 168 V C 2.105 177.964 176.094 -0.393 0.000 1.048 168 V CA 1.177 63.114 62.300 -0.604 0.000 1.049 168 V CB -0.315 30.950 31.823 -0.932 0.000 0.672 168 V HN 0.057 nan 8.190 nan 0.000 0.457 169 V N 1.309 121.129 119.914 -0.157 0.000 2.407 169 V HA -0.128 3.993 4.120 0.002 0.000 0.248 169 V C 3.149 179.452 176.094 0.348 0.000 1.055 169 V CA 2.134 64.454 62.300 0.033 0.000 1.049 169 V CB -1.374 30.492 31.823 0.071 0.000 0.662 169 V HN 0.693 nan 8.190 nan 0.000 0.455 170 A N -0.180 122.894 122.820 0.422 0.000 1.873 170 A HA -0.126 4.195 4.320 0.002 0.000 0.215 170 A C 2.221 180.125 177.584 0.534 0.000 1.186 170 A CA 1.644 54.009 52.037 0.547 0.000 0.616 170 A CB -0.529 18.697 19.000 0.376 0.000 0.823 170 A HN 0.477 nan 8.150 nan 0.000 0.442 171 L N -1.808 119.520 121.223 0.176 0.000 2.083 171 L HA -0.187 4.155 4.340 0.002 0.000 0.209 171 L C 2.656 179.454 176.870 -0.120 0.000 1.083 171 L CA 1.482 56.358 54.840 0.060 0.000 0.752 171 L CB -0.350 41.610 42.059 -0.165 0.000 0.899 171 L HN 0.350 nan 8.230 nan 0.000 0.433 172 M N -0.124 119.267 119.600 -0.348 0.000 2.549 172 M HA -0.045 4.436 4.480 0.002 0.000 0.260 172 M C 1.895 177.459 176.300 -1.227 0.000 1.076 172 M CA 0.938 55.754 55.300 -0.807 0.000 1.090 172 M CB -0.687 31.534 32.600 -0.632 0.000 1.418 172 M HN 0.154 nan 8.290 nan 0.000 0.486 173 G N -1.089 107.340 108.800 -0.618 0.000 2.559 173 G HA2 -0.023 3.938 3.960 0.002 0.000 0.216 173 G HA3 -0.023 3.938 3.960 0.002 0.000 0.216 173 G C 1.468 175.898 174.900 -0.785 0.000 1.126 173 G CA 0.697 45.315 45.100 -0.803 0.000 0.778 173 G HN 0.575 nan 8.290 nan 0.000 0.543 174 A N -0.036 122.411 122.820 -0.623 0.000 2.172 174 A HA 0.026 4.347 4.320 0.002 0.000 0.216 174 A C 1.711 178.927 177.584 -0.614 0.000 1.154 174 A CA 0.747 52.462 52.037 -0.537 0.000 0.701 174 A CB -0.654 18.228 19.000 -0.197 0.000 0.789 174 A HN 0.607 nan 8.150 nan 0.000 0.465 175 H N -0.966 117.427 119.070 -1.129 0.000 2.567 175 H HA 0.119 4.676 4.556 0.002 0.000 0.276 175 H C 2.113 176.880 175.328 -0.936 0.000 1.016 175 H CA 0.072 55.200 56.048 -1.534 0.000 1.186 175 H CB 0.192 28.526 29.762 -2.379 0.000 1.351 175 H HN 0.604 nan 8.280 nan 0.000 0.605 176 A N 0.796 123.291 122.820 -0.542 0.000 2.066 176 A HA 0.003 4.325 4.320 0.002 0.000 0.218 176 A C 0.962 178.461 177.584 -0.143 0.000 1.157 176 A CA 0.364 52.232 52.037 -0.282 0.000 0.670 176 A CB -0.096 18.659 19.000 -0.408 0.000 0.804 176 A HN 0.197 nan 8.150 nan 0.000 0.453 177 L N -0.772 120.348 121.223 -0.173 0.000 2.334 177 L HA 0.552 4.893 4.340 0.002 0.000 0.277 177 L C 1.359 178.308 176.870 0.132 0.000 1.075 177 L CA 0.071 54.901 54.840 -0.016 0.000 0.804 177 L CB 0.588 42.640 42.059 -0.012 0.000 1.174 177 L HN 0.552 nan 8.230 nan 0.000 0.438 178 G N 2.849 111.740 108.800 0.153 0.000 2.564 178 G HA2 -0.271 3.691 3.960 0.002 0.000 0.273 178 G HA3 -0.271 3.691 3.960 0.002 0.000 0.273 178 G C -0.497 174.532 174.900 0.215 0.000 1.242 178 G CA 0.536 45.748 45.100 0.187 0.000 0.951 178 G HN 0.993 nan 8.290 nan 0.000 0.564 179 K N -2.103 118.361 120.400 0.106 0.000 2.571 179 K HA 0.685 5.007 4.320 0.002 0.000 0.289 179 K C -0.606 175.704 176.600 -0.483 0.000 1.028 179 K CA -0.270 55.848 56.287 -0.282 0.000 0.895 179 K CB 1.084 33.368 32.500 -0.361 0.000 1.534 179 K HN 1.260 nan 8.250 nan 0.000 0.421 180 T N -0.574 113.556 114.554 -0.707 0.000 2.837 180 T HA 0.441 4.793 4.350 0.002 0.000 0.285 180 T C -0.784 173.635 174.700 -0.470 0.000 0.984 180 T CA -0.598 61.236 62.100 -0.444 0.000 1.049 180 T CB 0.383 69.025 68.868 -0.377 0.000 0.947 180 T HN 0.576 nan 8.240 nan 0.000 0.472 181 H N 1.965 121.009 119.070 -0.043 0.000 2.481 181 H HA 0.427 4.984 4.556 0.002 0.000 0.333 181 H C 0.808 176.126 175.328 -0.018 0.000 1.066 181 H CA -1.061 54.964 56.048 -0.038 0.000 1.209 181 H CB 1.565 31.307 29.762 -0.033 0.000 1.445 181 H HN 0.464 nan 8.280 nan 0.000 0.488 182 L N 2.962 124.220 121.223 0.057 0.000 2.043 182 L HA -0.225 4.116 4.340 0.002 0.000 0.212 182 L C 2.227 179.108 176.870 0.018 0.000 1.075 182 L CA 1.855 56.700 54.840 0.008 0.000 0.752 182 L CB -0.294 41.751 42.059 -0.024 0.000 0.891 182 L HN 0.732 nan 8.230 nan 0.000 0.432 183 K N -1.845 118.579 120.400 0.040 0.000 2.283 183 K HA -0.119 4.203 4.320 0.002 0.000 0.202 183 K C 1.482 178.100 176.600 0.029 0.000 1.048 183 K CA 1.446 57.746 56.287 0.023 0.000 0.948 183 K CB -0.266 32.243 32.500 0.015 0.000 0.742 183 K HN 0.362 nan 8.250 nan 0.000 0.458 184 N N 1.036 119.773 118.700 0.063 0.000 2.319 184 N HA -0.082 4.659 4.740 0.002 0.000 0.189 184 N C 1.840 177.402 175.510 0.087 0.000 1.042 184 N CA 1.841 54.931 53.050 0.067 0.000 0.879 184 N CB 0.000 38.542 38.487 0.091 0.000 1.052 184 N HN 0.423 nan 8.380 nan 0.000 0.446 185 S N -1.407 114.371 115.700 0.129 0.000 2.512 185 S HA 0.334 4.805 4.470 0.002 0.000 0.216 185 S C 1.235 175.891 174.600 0.093 0.000 1.006 185 S CA 0.608 58.916 58.200 0.179 0.000 0.915 185 S CB 0.805 64.189 63.200 0.308 0.000 0.824 185 S HN 0.455 nan 8.310 nan 0.000 0.497 186 G N 0.146 108.929 108.800 -0.029 0.000 2.132 186 G HA2 -0.199 3.762 3.960 0.002 0.000 0.234 186 G HA3 -0.199 3.762 3.960 0.002 0.000 0.234 186 G C -0.342 174.248 174.900 -0.517 0.000 0.989 186 G CA 0.194 45.145 45.100 -0.249 0.000 0.676 186 G HN 0.548 nan 8.290 nan 0.000 0.522 187 Y N -0.658 119.622 120.300 -0.033 0.000 2.512 187 Y HA 0.712 5.263 4.550 0.002 0.000 0.348 187 Y C 0.039 175.867 175.900 -0.121 0.000 0.990 187 Y CA -1.227 56.828 58.100 -0.075 0.000 1.033 187 Y CB 2.293 40.705 38.460 -0.079 0.000 1.259 187 Y HN 0.152 nan 8.280 nan 0.000 0.461 188 E N 0.994 121.191 120.200 -0.004 0.000 2.256 188 E HA 0.719 5.070 4.350 0.002 0.000 0.268 188 E C -0.494 176.017 176.600 -0.149 0.000 0.877 188 E CA -0.205 56.138 56.400 -0.096 0.000 0.757 188 E CB 1.874 31.532 29.700 -0.070 0.000 1.183 188 E HN 0.921 nan 8.360 nan 0.000 0.418 189 G N 3.571 112.232 108.800 -0.232 0.000 2.459 189 G HA2 0.044 4.005 3.960 0.002 0.000 0.685 189 G HA3 0.044 4.005 3.960 0.002 0.000 0.685 189 G C -3.005 171.675 174.900 -0.365 0.000 1.303 189 G CA -0.505 44.463 45.100 -0.220 0.000 0.907 189 G HN 0.514 nan 8.290 nan 0.000 0.632 190 P HA 0.339 nan 4.420 nan 0.000 0.281 190 P C 0.347 177.584 177.300 -0.105 0.000 1.264 190 P CA -0.620 62.379 63.100 -0.168 0.000 0.824 190 P CB 1.169 32.880 31.700 0.019 0.000 1.092 191 W N 0.610 121.903 121.300 -0.012 0.000 2.812 191 W HA 0.216 4.877 4.660 0.002 0.000 0.263 191 W C 0.914 177.303 176.519 -0.216 0.000 1.284 191 W CA 0.606 57.955 57.345 0.007 0.000 1.430 191 W CB 0.386 29.883 29.460 0.061 0.000 1.088 191 W HN 0.468 nan 8.180 nan 0.000 0.623 192 G N -1.695 107.044 108.800 -0.102 0.000 2.687 192 G HA2 0.450 4.411 3.960 0.002 0.000 0.291 192 G HA3 0.450 4.411 3.960 0.002 0.000 0.291 192 G C 0.052 174.792 174.900 -0.266 0.000 1.420 192 G CA 0.028 44.807 45.100 -0.535 0.000 0.796 192 G HN -0.125 nan 8.290 nan 0.000 0.485 193 A N -0.667 122.043 122.820 -0.183 0.000 1.935 193 A HA 0.545 4.866 4.320 0.002 0.000 0.214 193 A C 1.891 179.507 177.584 0.054 0.000 1.178 193 A CA 1.767 53.858 52.037 0.091 0.000 0.640 193 A CB -0.379 18.736 19.000 0.192 0.000 0.825 193 A HN 1.775 nan 8.150 nan 0.000 0.447 194 A N 0.632 123.462 122.820 0.017 0.000 3.118 194 A HA 0.239 4.560 4.320 0.002 0.000 0.256 194 A C 0.795 178.398 177.584 0.032 0.000 1.667 194 A CA -0.280 51.777 52.037 0.033 0.000 1.338 194 A CB -1.155 17.864 19.000 0.031 0.000 1.127 194 A HN 0.597 nan 8.150 nan 0.000 0.634 195 N N 1.024 119.752 118.700 0.048 0.000 2.272 195 N HA -0.202 4.539 4.740 0.002 0.000 0.185 195 N C 1.222 176.773 175.510 0.067 0.000 1.014 195 N CA 1.698 54.784 53.050 0.061 0.000 0.870 195 N CB 0.028 38.556 38.487 0.069 0.000 0.975 195 N HN 0.968 nan 8.380 nan 0.000 0.433 196 N N -0.822 117.922 118.700 0.074 0.000 2.203 196 N HA 0.110 4.851 4.740 0.002 0.000 0.207 196 N C -0.961 174.605 175.510 0.092 0.000 1.130 196 N CA -0.270 52.831 53.050 0.085 0.000 0.861 196 N CB 0.728 39.273 38.487 0.096 0.000 1.005 196 N HN -0.191 nan 8.380 nan 0.000 0.507 197 V N 0.969 120.937 119.914 0.089 0.000 2.588 197 V HA 0.340 4.461 4.120 0.002 0.000 0.304 197 V C -0.963 175.209 176.094 0.130 0.000 1.042 197 V CA -0.953 61.418 62.300 0.119 0.000 0.877 197 V CB 1.327 33.217 31.823 0.112 0.000 0.996 197 V HN 0.096 nan 8.190 nan 0.000 0.425 198 F N 5.090 125.048 119.950 0.013 0.000 2.466 198 F HA 0.520 5.048 4.527 0.002 0.000 0.363 198 F C 0.825 176.744 175.800 0.198 0.000 1.109 198 F CA 0.556 58.549 58.000 -0.011 0.000 1.161 198 F CB 0.461 39.336 39.000 -0.208 0.000 1.117 198 F HN 0.777 nan 8.300 nan 0.000 0.539 199 T N 0.752 115.350 114.554 0.074 0.000 2.696 199 T HA 0.271 4.622 4.350 0.002 0.000 0.291 199 T C 0.172 174.988 174.700 0.194 0.000 1.095 199 T CA -0.671 61.578 62.100 0.249 0.000 1.026 199 T CB 1.244 70.178 68.868 0.110 0.000 1.390 199 T HN 0.577 nan 8.240 nan 0.000 0.513 200 N N -0.891 117.922 118.700 0.188 0.000 2.295 200 N HA 0.116 4.857 4.740 0.002 0.000 0.221 200 N C 1.111 176.634 175.510 0.022 0.000 1.129 200 N CA -0.464 52.634 53.050 0.080 0.000 0.836 200 N CB 0.243 38.812 38.487 0.137 0.000 1.040 200 N HN 0.665 nan 8.380 nan 0.000 0.494 201 E N 0.519 120.696 120.200 -0.038 0.000 2.209 201 E HA -0.229 4.122 4.350 0.002 0.000 0.196 201 E C 1.078 177.618 176.600 -0.100 0.000 0.993 201 E CA 0.872 57.237 56.400 -0.058 0.000 0.819 201 E CB -0.085 29.572 29.700 -0.072 0.000 0.745 201 E HN 0.544 nan 8.360 nan 0.000 0.477 202 F N 0.416 120.134 119.950 -0.387 0.000 2.095 202 F HA -0.280 4.248 4.527 0.002 0.000 0.298 202 F C 1.580 177.112 175.800 -0.446 0.000 1.104 202 F CA 1.719 59.416 58.000 -0.506 0.000 1.232 202 F CB -0.512 37.968 39.000 -0.868 0.000 0.987 202 F HN 0.059 nan 8.300 nan 0.000 0.475 203 Y N 0.025 120.164 120.300 -0.269 0.000 2.263 203 Y HA -0.091 4.460 4.550 0.002 0.000 0.292 203 Y C 2.365 178.148 175.900 -0.194 0.000 1.130 203 Y CA 1.155 59.075 58.100 -0.300 0.000 1.179 203 Y CB -0.958 37.400 38.460 -0.170 0.000 0.998 203 Y HN 0.061 nan 8.280 nan 0.000 0.532 204 L N -0.191 121.046 121.223 0.023 0.000 2.093 204 L HA -0.214 4.127 4.340 0.002 0.000 0.208 204 L C 1.897 178.786 176.870 0.031 0.000 1.085 204 L CA 1.131 55.985 54.840 0.024 0.000 0.755 204 L CB -0.410 41.663 42.059 0.024 0.000 0.904 204 L HN 0.243 nan 8.230 nan 0.000 0.435 205 N N -0.237 118.475 118.700 0.020 0.000 2.250 205 N HA -0.120 4.621 4.740 0.002 0.000 0.181 205 N C 1.716 177.459 175.510 0.389 0.000 1.017 205 N CA 0.770 53.919 53.050 0.165 0.000 0.866 205 N CB -0.245 38.331 38.487 0.149 0.000 0.985 205 N HN 0.102 nan 8.380 nan 0.000 0.429 206 L N 0.728 122.011 121.223 0.100 0.000 2.131 206 L HA 0.008 4.350 4.340 0.002 0.000 0.210 206 L C 1.706 178.679 176.870 0.171 0.000 1.092 206 L CA 1.362 56.202 54.840 0.001 0.000 0.759 206 L CB -0.298 41.434 42.059 -0.544 0.000 0.903 206 L HN 0.137 nan 8.230 nan 0.000 0.435 207 L N -1.903 119.375 121.223 0.092 0.000 2.357 207 L HA 0.050 4.391 4.340 0.002 0.000 0.211 207 L C 1.661 178.578 176.870 0.079 0.000 1.075 207 L CA 0.653 55.531 54.840 0.063 0.000 0.830 207 L CB -0.193 41.869 42.059 0.004 0.000 0.996 207 L HN 0.275 nan 8.230 nan 0.000 0.467 208 N N -1.105 117.638 118.700 0.071 0.000 2.373 208 N HA 0.018 4.759 4.740 0.002 0.000 0.181 208 N C 0.079 175.562 175.510 -0.045 0.000 1.082 208 N CA -0.042 53.019 53.050 0.019 0.000 0.885 208 N CB 0.586 39.084 38.487 0.018 0.000 0.977 208 N HN 0.173 nan 8.380 nan 0.000 0.462 209 E N 1.195 121.326 120.200 -0.114 0.000 2.248 209 E HA 0.137 4.488 4.350 0.002 0.000 0.272 209 E C -0.957 175.279 176.600 -0.607 0.000 1.008 209 E CA -0.272 55.861 56.400 -0.443 0.000 0.856 209 E CB 1.001 30.226 29.700 -0.790 0.000 1.120 209 E HN 0.073 nan 8.360 nan 0.000 0.397 210 D N 2.213 122.313 120.400 -0.500 0.000 2.422 210 D HA 0.131 4.772 4.640 0.002 0.000 0.227 210 D C -0.485 175.646 176.300 -0.282 0.000 1.190 210 D CA -0.066 53.769 54.000 -0.275 0.000 0.905 210 D CB -0.172 40.550 40.800 -0.130 0.000 1.034 210 D HN 0.130 nan 8.370 nan 0.000 0.507 211 W N 1.907 123.313 121.300 0.177 0.000 2.315 211 W HA 0.303 4.965 4.660 0.003 0.000 0.316 211 W C 0.986 177.685 176.519 0.299 0.000 1.211 211 W CA -0.873 56.626 57.345 0.258 0.000 1.201 211 W CB 1.300 30.961 29.460 0.335 0.000 1.184 211 W HN -0.008 nan 8.180 nan 0.000 0.544 212 K N 3.500 124.186 120.400 0.478 0.000 2.471 212 K HA 0.398 4.720 4.320 0.002 0.000 0.252 212 K C -1.438 175.139 176.600 -0.038 0.000 0.938 212 K CA -1.061 55.351 56.287 0.208 0.000 0.796 212 K CB 1.407 33.958 32.500 0.085 0.000 1.161 212 K HN 0.478 nan 8.250 nan 0.000 0.425 213 L N 3.472 124.409 121.223 -0.475 0.000 2.418 213 L HA 0.267 4.608 4.340 0.002 0.000 0.274 213 L C -0.756 175.860 176.870 -0.423 0.000 1.135 213 L CA 0.968 55.259 54.840 -0.915 0.000 0.870 213 L CB 0.465 41.763 42.059 -1.269 0.000 1.154 213 L HN 0.777 nan 8.230 nan 0.000 0.462 214 E N 2.977 122.976 120.200 -0.336 0.000 2.383 214 E HA 0.430 4.781 4.350 0.002 0.000 0.275 214 E C -1.399 175.105 176.600 -0.160 0.000 0.918 214 E CA -0.864 55.424 56.400 -0.187 0.000 0.764 214 E CB 1.660 31.295 29.700 -0.108 0.000 1.252 214 E HN 0.514 nan 8.360 nan 0.000 0.449 215 K N 1.393 121.720 120.400 -0.121 0.000 2.144 215 K HA 0.309 4.630 4.320 0.002 0.000 0.270 215 K C -0.300 176.247 176.600 -0.088 0.000 1.005 215 K CA -0.459 55.766 56.287 -0.104 0.000 0.932 215 K CB 0.500 32.945 32.500 -0.091 0.000 1.021 215 K HN 0.518 nan 8.250 nan 0.000 0.462 216 N N 0.736 119.379 118.700 -0.095 0.000 2.725 216 N HA 0.159 4.900 4.740 0.002 0.000 0.312 216 N C -0.173 175.283 175.510 -0.090 0.000 1.295 216 N CA -0.476 52.521 53.050 -0.089 0.000 0.914 216 N CB 0.351 38.779 38.487 -0.097 0.000 1.177 216 N HN 0.359 nan 8.380 nan 0.000 0.601 217 D N -1.178 119.173 120.400 -0.082 0.000 2.348 217 D HA 0.039 4.681 4.640 0.002 0.000 0.216 217 D C 0.609 176.860 176.300 -0.082 0.000 0.970 217 D CA 0.867 54.824 54.000 -0.072 0.000 0.889 217 D CB -0.259 40.507 40.800 -0.057 0.000 0.912 217 D HN 0.660 nan 8.370 nan 0.000 0.524 218 A N 0.358 123.110 122.820 -0.114 0.000 2.423 218 A HA 0.121 4.442 4.320 0.002 0.000 0.246 218 A C 0.470 177.971 177.584 -0.138 0.000 1.278 218 A CA -0.268 51.693 52.037 -0.127 0.000 0.903 218 A CB -0.046 18.854 19.000 -0.167 0.000 0.997 218 A HN -0.020 nan 8.150 nan 0.000 0.510 219 N N -0.042 118.585 118.700 -0.121 0.000 2.828 219 N HA -0.137 4.605 4.740 0.002 0.000 0.248 219 N C -0.569 174.864 175.510 -0.128 0.000 1.044 219 N CA 1.166 54.151 53.050 -0.108 0.000 0.851 219 N CB -1.641 36.799 38.487 -0.078 0.000 1.136 219 N HN 0.623 nan 8.380 nan 0.000 0.572 220 N N 1.202 119.787 118.700 -0.192 0.000 2.495 220 N HA 0.248 4.989 4.740 0.002 0.000 0.280 220 N C 0.031 175.465 175.510 -0.126 0.000 1.168 220 N CA -0.052 52.873 53.050 -0.209 0.000 0.978 220 N CB 0.927 39.102 38.487 -0.520 0.000 1.191 220 N HN 0.172 nan 8.380 nan 0.000 0.497 221 E N 0.722 120.901 120.200 -0.035 0.000 2.179 221 E HA 0.251 4.602 4.350 0.002 0.000 0.275 221 E C -0.423 176.200 176.600 0.038 0.000 0.945 221 E CA -0.574 55.789 56.400 -0.061 0.000 0.792 221 E CB 1.688 31.305 29.700 -0.139 0.000 1.125 221 E HN 0.493 nan 8.360 nan 0.000 0.397 222 Q N 1.242 121.007 119.800 -0.057 0.000 2.501 222 Q HA 0.443 4.785 4.340 0.002 0.000 0.288 222 Q C -1.411 174.485 176.000 -0.175 0.000 1.051 222 Q CA -1.072 54.734 55.803 0.005 0.000 0.788 222 Q CB 1.247 30.086 28.738 0.168 0.000 1.469 222 Q HN 0.410 nan 8.270 nan 0.000 0.416 223 W N 1.402 122.673 121.300 -0.047 0.000 2.335 223 W HA 0.423 5.084 4.660 0.002 0.000 0.307 223 W C -0.822 175.830 176.519 0.221 0.000 1.117 223 W CA 0.111 57.440 57.345 -0.027 0.000 1.228 223 W CB 1.261 30.547 29.460 -0.290 0.000 1.240 223 W HN 0.463 nan 8.180 nan 0.000 0.468 224 D N 1.443 122.123 120.400 0.466 0.000 2.342 224 D HA 0.424 5.065 4.640 0.002 0.000 0.243 224 D C -0.312 176.194 176.300 0.343 0.000 1.019 224 D CA -0.480 53.769 54.000 0.414 0.000 0.864 224 D CB 1.926 42.819 40.800 0.155 0.000 1.315 224 D HN 0.234 nan 8.370 nan 0.000 0.468 225 S N -0.614 115.151 115.700 0.108 0.000 2.621 225 S HA 0.309 4.780 4.470 0.002 0.000 0.302 225 S C 0.883 175.363 174.600 -0.200 0.000 1.093 225 S CA -0.803 57.244 58.200 -0.255 0.000 1.017 225 S CB 2.315 65.092 63.200 -0.705 0.000 1.077 225 S HN 0.493 nan 8.310 nan 0.000 0.517 226 K N 0.532 120.798 120.400 -0.224 0.000 2.362 226 K HA 0.016 4.337 4.320 0.002 0.000 0.200 226 K C 1.190 177.644 176.600 -0.243 0.000 1.046 226 K CA 1.454 57.630 56.287 -0.184 0.000 0.952 226 K CB -0.388 32.028 32.500 -0.140 0.000 0.753 226 K HN 0.401 nan 8.250 nan 0.000 0.466 227 S N 0.107 115.579 115.700 -0.380 0.000 2.603 227 S HA 0.132 4.603 4.470 0.002 0.000 0.220 227 S C 1.068 175.287 174.600 -0.636 0.000 0.967 227 S CA 0.495 58.365 58.200 -0.550 0.000 0.920 227 S CB 0.254 62.973 63.200 -0.803 0.000 0.773 227 S HN 0.738 nan 8.310 nan 0.000 0.529 228 G N 0.511 109.067 108.800 -0.407 0.000 2.131 228 G HA2 -0.224 3.737 3.960 0.002 0.000 0.223 228 G HA3 -0.224 3.737 3.960 0.002 0.000 0.223 228 G C -0.247 174.622 174.900 -0.051 0.000 0.990 228 G CA -0.261 44.710 45.100 -0.215 0.000 0.671 228 G HN 0.413 nan 8.290 nan 0.000 0.521 229 Y N -0.371 119.955 120.300 0.043 0.000 2.432 229 Y HA 0.851 5.402 4.550 0.002 0.000 0.322 229 Y C 0.578 176.661 175.900 0.306 0.000 1.246 229 Y CA -1.266 56.924 58.100 0.151 0.000 1.268 229 Y CB 1.244 39.847 38.460 0.240 0.000 1.276 229 Y HN 0.424 nan 8.280 nan 0.000 0.499 230 M N 0.842 120.697 119.600 0.425 0.000 2.631 230 M HA 0.824 5.305 4.480 0.002 0.000 0.288 230 M C -1.655 174.666 176.300 0.035 0.000 1.260 230 M CA -0.861 54.598 55.300 0.265 0.000 0.842 230 M CB 2.340 34.938 32.600 -0.003 0.000 1.743 230 M HN 0.308 nan 8.290 nan 0.000 0.461 231 M N 2.174 121.746 119.600 -0.047 0.000 2.386 231 M HA 0.558 5.039 4.480 0.002 0.000 0.293 231 M C -1.404 174.952 176.300 0.093 0.000 1.120 231 M CA -0.504 54.782 55.300 -0.024 0.000 0.909 231 M CB 2.197 34.551 32.600 -0.409 0.000 1.661 231 M HN 0.912 nan 8.290 nan 0.000 0.452 232 L N 3.493 124.813 121.223 0.161 0.000 2.453 232 L HA 0.215 4.556 4.340 0.002 0.000 0.261 232 L C -1.295 175.671 176.870 0.160 0.000 1.179 232 L CA -1.371 53.472 54.840 0.006 0.000 0.813 232 L CB 0.195 42.225 42.059 -0.048 0.000 1.110 232 L HN 0.452 nan 8.230 nan 0.000 0.466 233 P HA -0.156 nan 4.420 nan 0.000 0.218 233 P C 1.415 178.848 177.300 0.220 0.000 1.148 233 P CA 1.381 64.662 63.100 0.300 0.000 0.822 233 P CB 0.042 31.880 31.700 0.230 0.000 0.784 234 T N -4.051 110.596 114.554 0.155 0.000 2.915 234 T HA -0.121 4.231 4.350 0.002 0.000 0.269 234 T C 1.419 176.213 174.700 0.155 0.000 1.071 234 T CA 1.204 63.405 62.100 0.168 0.000 1.132 234 T CB -0.843 68.128 68.868 0.173 0.000 0.878 234 T HN 0.045 nan 8.240 nan 0.000 0.479 235 D N 0.312 120.823 120.400 0.185 0.000 2.103 235 D HA -0.025 4.617 4.640 0.002 0.000 0.199 235 D C 1.687 177.982 176.300 -0.009 0.000 0.978 235 D CA 0.963 55.089 54.000 0.210 0.000 0.829 235 D CB -0.502 40.521 40.800 0.372 0.000 0.981 235 D HN 0.446 nan 8.370 nan 0.000 0.464 236 Y N 1.855 122.024 120.300 -0.219 0.000 2.403 236 Y HA -0.202 4.349 4.550 0.002 0.000 0.291 236 Y C 2.389 178.114 175.900 -0.292 0.000 1.143 236 Y CA 1.395 59.205 58.100 -0.483 0.000 1.257 236 Y CB -0.091 37.807 38.460 -0.935 0.000 0.984 236 Y HN -0.059 nan 8.280 nan 0.000 0.550 237 S N -0.514 115.183 115.700 -0.006 0.000 2.442 237 S HA -0.166 4.305 4.470 0.002 0.000 0.236 237 S C 1.776 176.397 174.600 0.036 0.000 1.007 237 S CA 1.192 59.428 58.200 0.059 0.000 0.965 237 S CB -0.874 62.432 63.200 0.176 0.000 0.773 237 S HN 0.552 nan 8.310 nan 0.000 0.504 238 L N 0.992 122.174 121.223 -0.068 0.000 2.362 238 L HA 0.143 4.484 4.340 0.002 0.000 0.219 238 L C 2.125 178.933 176.870 -0.103 0.000 1.134 238 L CA 1.054 55.852 54.840 -0.071 0.000 0.807 238 L CB -0.621 41.355 42.059 -0.138 0.000 0.927 238 L HN 0.555 nan 8.230 nan 0.000 0.447 239 I N -5.230 115.160 120.570 -0.300 0.000 4.018 239 I HA 0.069 4.240 4.170 0.002 0.000 0.337 239 I C 1.740 177.683 176.117 -0.289 0.000 1.327 239 I CA 0.117 61.213 61.300 -0.339 0.000 1.100 239 I CB 0.137 37.834 38.000 -0.505 0.000 1.025 239 I HN 0.103 nan 8.210 nan 0.000 0.396 240 Q N 1.135 120.812 119.800 -0.204 0.000 2.349 240 Q HA 0.113 4.454 4.340 0.002 0.000 0.209 240 Q C 0.493 176.485 176.000 -0.013 0.000 0.920 240 Q CA 0.351 56.102 55.803 -0.088 0.000 0.901 240 Q CB 0.505 29.239 28.738 -0.007 0.000 1.021 240 Q HN 0.523 nan 8.270 nan 0.000 0.519 241 D N 1.053 121.470 120.400 0.028 0.000 2.264 241 D HA 0.040 4.681 4.640 0.002 0.000 0.250 241 D C -1.756 174.530 176.300 -0.022 0.000 1.113 241 D CA -1.983 52.020 54.000 0.005 0.000 0.871 241 D CB 1.794 42.598 40.800 0.006 0.000 1.167 241 D HN -0.068 nan 8.370 nan 0.000 0.447 242 P HA -0.117 nan 4.420 nan 0.000 0.221 242 P C 0.963 178.229 177.300 -0.057 0.000 1.150 242 P CA 0.699 63.770 63.100 -0.048 0.000 0.800 242 P CB 0.528 32.201 31.700 -0.044 0.000 0.787 243 K N -0.625 119.714 120.400 -0.101 0.000 2.062 243 K HA -0.079 4.242 4.320 0.002 0.000 0.205 243 K C 2.305 178.895 176.600 -0.018 0.000 1.051 243 K CA 1.241 57.465 56.287 -0.104 0.000 0.941 243 K CB -1.049 31.338 32.500 -0.188 0.000 0.719 243 K HN 0.213 nan 8.250 nan 0.000 0.440 244 Y N 1.368 121.636 120.300 -0.053 0.000 2.293 244 Y HA -0.044 4.507 4.550 0.002 0.000 0.291 244 Y C 2.276 178.119 175.900 -0.094 0.000 1.137 244 Y CA 0.097 58.160 58.100 -0.062 0.000 1.202 244 Y CB -0.742 37.698 38.460 -0.034 0.000 0.990 244 Y HN -0.034 nan 8.280 nan 0.000 0.537 245 L N -0.213 121.051 121.223 0.068 0.000 2.042 245 L HA -0.271 4.070 4.340 0.002 0.000 0.210 245 L C 2.498 179.331 176.870 -0.063 0.000 1.076 245 L CA 2.161 56.985 54.840 -0.026 0.000 0.749 245 L CB -0.574 41.456 42.059 -0.047 0.000 0.893 245 L HN 0.391 nan 8.230 nan 0.000 0.432 246 S N -0.306 115.355 115.700 -0.063 0.000 2.399 246 S HA -0.187 4.284 4.470 0.002 0.000 0.231 246 S C 1.800 176.303 174.600 -0.161 0.000 1.022 246 S CA 1.274 59.418 58.200 -0.093 0.000 0.983 246 S CB -0.694 62.461 63.200 -0.075 0.000 0.803 246 S HN 0.500 nan 8.310 nan 0.000 0.480 247 I N 1.126 121.580 120.570 -0.192 0.000 2.406 247 I HA -0.044 4.127 4.170 0.002 0.000 0.249 247 I C 2.384 178.174 176.117 -0.544 0.000 1.122 247 I CA 0.542 61.596 61.300 -0.411 0.000 1.431 247 I CB -0.373 37.432 38.000 -0.324 0.000 1.087 247 I HN 0.188 nan 8.210 nan 0.000 0.424 248 V N 1.304 121.061 119.914 -0.262 0.000 2.343 248 V HA -0.267 3.854 4.120 0.002 0.000 0.247 248 V C 2.436 178.426 176.094 -0.172 0.000 1.051 248 V CA 1.820 64.032 62.300 -0.146 0.000 1.036 248 V CB -0.691 31.126 31.823 -0.011 0.000 0.654 248 V HN 0.391 nan 8.190 nan 0.000 0.451 249 K N -0.153 120.157 120.400 -0.149 0.000 2.097 249 K HA -0.240 4.081 4.320 0.002 0.000 0.206 249 K C 2.208 178.733 176.600 -0.124 0.000 1.049 249 K CA 1.704 57.927 56.287 -0.108 0.000 0.933 249 K CB -0.195 32.252 32.500 -0.088 0.000 0.717 249 K HN 0.547 nan 8.250 nan 0.000 0.442 250 E N 0.166 120.245 120.200 -0.202 0.000 2.077 250 E HA -0.191 4.160 4.350 0.002 0.000 0.193 250 E C 1.631 178.186 176.600 -0.074 0.000 0.989 250 E CA 1.172 57.466 56.400 -0.177 0.000 0.800 250 E CB 0.054 29.585 29.700 -0.281 0.000 0.746 250 E HN 0.295 nan 8.360 nan 0.000 0.452 251 Y N -0.246 119.885 120.300 -0.282 0.000 2.395 251 Y HA 0.097 4.648 4.550 0.002 0.000 0.293 251 Y C 2.156 177.872 175.900 -0.307 0.000 1.123 251 Y CA 0.526 58.376 58.100 -0.417 0.000 1.227 251 Y CB -0.851 36.953 38.460 -1.092 0.000 1.012 251 Y HN 0.132 nan 8.280 nan 0.000 0.552 252 A N 0.028 122.813 122.820 -0.059 0.000 1.930 252 A HA -0.180 4.141 4.320 0.002 0.000 0.217 252 A C 2.269 179.861 177.584 0.013 0.000 1.175 252 A CA 1.663 53.713 52.037 0.021 0.000 0.627 252 A CB -0.642 18.372 19.000 0.024 0.000 0.815 252 A HN 0.502 nan 8.150 nan 0.000 0.443 253 N N -0.895 117.805 118.700 0.001 0.000 2.336 253 N HA -0.093 4.648 4.740 0.002 0.000 0.177 253 N C -0.743 174.774 175.510 0.013 0.000 1.018 253 N CA 0.798 53.850 53.050 0.003 0.000 0.878 253 N CB 0.137 38.620 38.487 -0.007 0.000 0.997 253 N HN 0.273 nan 8.380 nan 0.000 0.433 254 D N 0.744 121.166 120.400 0.037 0.000 2.454 254 D HA 0.100 4.742 4.640 0.002 0.000 0.247 254 D C 0.540 176.878 176.300 0.063 0.000 1.129 254 D CA -0.287 53.740 54.000 0.045 0.000 0.877 254 D CB 1.504 42.343 40.800 0.065 0.000 1.082 254 D HN 0.119 nan 8.370 nan 0.000 0.537 255 Q N 2.351 122.144 119.800 -0.011 0.000 2.119 255 Q HA -0.131 4.210 4.340 0.002 0.000 0.201 255 Q C 0.516 176.395 176.000 -0.201 0.000 0.972 255 Q CA 1.202 56.960 55.803 -0.075 0.000 0.847 255 Q CB 0.410 29.004 28.738 -0.241 0.000 0.903 255 Q HN 0.409 nan 8.270 nan 0.000 0.433 256 D N 0.249 120.552 120.400 -0.162 0.000 2.144 256 D HA -0.147 4.495 4.640 0.002 0.000 0.200 256 D C 1.687 178.005 176.300 0.029 0.000 0.978 256 D CA 1.056 54.995 54.000 -0.101 0.000 0.833 256 D CB 0.009 40.776 40.800 -0.055 0.000 0.961 256 D HN 0.075 nan 8.370 nan 0.000 0.470 257 K N 0.251 120.692 120.400 0.067 0.000 2.097 257 K HA -0.100 4.221 4.320 0.002 0.000 0.205 257 K C 1.830 178.476 176.600 0.076 0.000 1.050 257 K CA 0.507 56.870 56.287 0.125 0.000 0.938 257 K CB -0.555 32.068 32.500 0.204 0.000 0.718 257 K HN 0.058 nan 8.250 nan 0.000 0.442 258 F N 0.164 119.998 119.950 -0.193 0.000 2.113 258 F HA -0.037 4.491 4.527 0.002 0.000 0.297 258 F C 1.601 177.417 175.800 0.025 0.000 1.103 258 F CA 1.295 58.968 58.000 -0.545 0.000 1.248 258 F CB -0.761 37.972 39.000 -0.445 0.000 0.999 258 F HN 0.043 nan 8.300 nan 0.000 0.475 259 F N 0.717 120.401 119.950 -0.443 0.000 2.126 259 F HA -0.278 4.250 4.527 0.002 0.000 0.299 259 F C 2.348 178.025 175.800 -0.205 0.000 1.096 259 F CA 0.875 58.644 58.000 -0.385 0.000 1.255 259 F CB -0.252 38.645 39.000 -0.172 0.000 0.997 259 F HN -0.088 nan 8.300 nan 0.000 0.479 260 K N 0.185 120.632 120.400 0.078 0.000 2.025 260 K HA -0.140 4.181 4.320 0.002 0.000 0.207 260 K C 1.458 178.069 176.600 0.018 0.000 1.049 260 K CA 1.329 57.642 56.287 0.044 0.000 0.933 260 K CB -0.809 31.725 32.500 0.057 0.000 0.714 260 K HN 0.209 nan 8.250 nan 0.000 0.438 261 D N -0.017 120.394 120.400 0.019 0.000 2.144 261 D HA -0.103 4.538 4.640 0.002 0.000 0.200 261 D C 1.764 178.078 176.300 0.024 0.000 0.978 261 D CA 0.539 54.569 54.000 0.049 0.000 0.833 261 D CB -0.263 40.620 40.800 0.140 0.000 0.961 261 D HN 0.101 nan 8.370 nan 0.000 0.470 262 F N 1.108 120.945 119.950 -0.189 0.000 2.113 262 F HA -0.191 4.338 4.527 0.003 0.000 0.297 262 F C 2.545 178.281 175.800 -0.108 0.000 1.103 262 F CA 1.311 59.200 58.000 -0.186 0.000 1.248 262 F CB -0.154 38.560 39.000 -0.476 0.000 0.999 262 F HN -0.166 nan 8.300 nan 0.000 0.475 263 S N 0.093 115.760 115.700 -0.057 0.000 2.370 263 S HA -0.225 4.246 4.470 0.002 0.000 0.226 263 S C 2.087 176.641 174.600 -0.077 0.000 1.033 263 S CA 1.667 59.827 58.200 -0.066 0.000 1.011 263 S CB -0.325 62.854 63.200 -0.034 0.000 0.852 263 S HN 0.428 nan 8.310 nan 0.000 0.457 264 K N 0.616 120.977 120.400 -0.065 0.000 2.025 264 K HA 0.014 4.335 4.320 0.002 0.000 0.207 264 K C 2.414 178.971 176.600 -0.071 0.000 1.049 264 K CA 1.218 57.472 56.287 -0.054 0.000 0.933 264 K CB -0.383 32.102 32.500 -0.025 0.000 0.714 264 K HN 0.407 nan 8.250 nan 0.000 0.438 265 A N 0.797 123.562 122.820 -0.092 0.000 1.969 265 A HA -0.138 4.184 4.320 0.002 0.000 0.218 265 A C 1.938 179.457 177.584 -0.109 0.000 1.169 265 A CA 0.976 52.960 52.037 -0.088 0.000 0.635 265 A CB -0.521 18.434 19.000 -0.074 0.000 0.810 265 A HN 0.285 nan 8.150 nan 0.000 0.445 266 F N 0.644 120.311 119.950 -0.471 0.000 2.163 266 F HA -0.049 4.479 4.527 0.003 0.000 0.297 266 F C 2.187 177.877 175.800 -0.182 0.000 1.094 266 F CA 1.726 59.453 58.000 -0.455 0.000 1.290 266 F CB -0.233 38.275 39.000 -0.819 0.000 1.017 266 F HN 0.433 nan 8.300 nan 0.000 0.483 267 E N 0.286 120.429 120.200 -0.095 0.000 2.077 267 E HA -0.281 4.070 4.350 0.002 0.000 0.193 267 E C 2.334 178.846 176.600 -0.148 0.000 0.989 267 E CA 1.338 57.666 56.400 -0.120 0.000 0.800 267 E CB -0.225 29.428 29.700 -0.077 0.000 0.746 267 E HN 0.402 nan 8.360 nan 0.000 0.452 268 K N 0.631 120.962 120.400 -0.115 0.000 2.057 268 K HA -0.142 4.179 4.320 0.002 0.000 0.207 268 K C 2.336 178.862 176.600 -0.123 0.000 1.049 268 K CA 0.954 57.180 56.287 -0.102 0.000 0.931 268 K CB -0.176 32.290 32.500 -0.056 0.000 0.714 268 K HN 0.216 nan 8.250 nan 0.000 0.440 269 L N 1.280 122.445 121.223 -0.097 0.000 2.012 269 L HA -0.176 4.165 4.340 0.002 0.000 0.210 269 L C 2.057 178.843 176.870 -0.139 0.000 1.073 269 L CA 1.552 56.362 54.840 -0.050 0.000 0.748 269 L CB -0.289 41.797 42.059 0.045 0.000 0.891 269 L HN 0.346 nan 8.230 nan 0.000 0.431 270 L N -0.902 120.180 121.223 -0.235 0.000 2.376 270 L HA -0.131 4.211 4.340 0.002 0.000 0.219 270 L C 1.792 178.582 176.870 -0.134 0.000 1.133 270 L CA 0.686 55.409 54.840 -0.194 0.000 0.816 270 L CB -0.200 41.717 42.059 -0.236 0.000 0.933 270 L HN 0.307 nan 8.230 nan 0.000 0.449 271 E N -1.024 119.086 120.200 -0.151 0.000 2.498 271 E HA 0.058 4.409 4.350 0.002 0.000 0.203 271 E C 0.014 176.472 176.600 -0.238 0.000 1.013 271 E CA -0.376 55.973 56.400 -0.085 0.000 0.927 271 E CB 0.409 30.119 29.700 0.017 0.000 1.012 271 E HN 0.290 nan 8.360 nan 0.000 0.482 272 N N 0.851 119.282 118.700 -0.449 0.000 2.411 272 N HA -0.020 4.722 4.740 0.002 0.000 0.261 272 N C 0.896 175.659 175.510 -1.246 0.000 1.248 272 N CA 1.391 53.839 53.050 -1.003 0.000 0.885 272 N CB 1.076 38.826 38.487 -1.229 0.000 1.062 272 N HN 0.360 nan 8.380 nan 0.000 0.471 273 G N 1.855 110.027 108.800 -1.047 0.000 2.213 273 G HA2 -0.254 3.708 3.960 0.002 0.000 0.236 273 G HA3 -0.254 3.708 3.960 0.002 0.000 0.236 273 G C 0.143 174.926 174.900 -0.196 0.000 0.991 273 G CA -0.198 44.685 45.100 -0.362 0.000 0.629 273 G HN 0.543 nan 8.290 nan 0.000 0.517 274 I N 2.218 122.595 120.570 -0.323 0.000 2.353 274 I HA 0.417 4.588 4.170 0.002 0.000 0.293 274 I C 0.114 175.931 176.117 -0.499 0.000 0.992 274 I CA -0.434 60.590 61.300 -0.460 0.000 1.268 274 I CB 1.696 39.325 38.000 -0.619 0.000 1.387 274 I HN -0.036 nan 8.210 nan 0.000 0.478 275 T N 6.546 120.826 114.554 -0.457 0.000 2.743 275 T HA 0.435 4.786 4.350 0.002 0.000 0.292 275 T C -0.407 174.067 174.700 -0.376 0.000 0.972 275 T CA -0.227 61.700 62.100 -0.288 0.000 0.967 275 T CB 0.019 68.784 68.868 -0.172 0.000 0.926 275 T HN 0.112 nan 8.240 nan 0.000 0.459 276 F N 4.254 124.161 119.950 -0.072 0.000 2.410 276 F HA 0.407 4.935 4.527 0.002 0.000 0.349 276 F C -1.689 174.076 175.800 -0.058 0.000 1.117 276 F CA -2.492 55.464 58.000 -0.073 0.000 1.104 276 F CB 0.444 39.376 39.000 -0.113 0.000 1.122 276 F HN 0.348 nan 8.300 nan 0.000 0.483 277 P HA 0.157 nan 4.420 nan 0.000 0.271 277 P C 0.507 177.838 177.300 0.052 0.000 1.216 277 P CA -0.416 62.718 63.100 0.056 0.000 0.776 277 P CB 0.926 32.652 31.700 0.043 0.000 0.881 278 K N 1.440 121.853 120.400 0.022 0.000 2.103 278 K HA -0.206 4.115 4.320 0.002 0.000 0.207 278 K C 0.960 177.563 176.600 0.004 0.000 1.048 278 K CA 1.855 58.146 56.287 0.006 0.000 0.930 278 K CB -0.531 31.967 32.500 -0.003 0.000 0.716 278 K HN 0.762 nan 8.250 nan 0.000 0.444 279 D N 0.855 121.263 120.400 0.012 0.000 2.459 279 D HA -0.333 4.308 4.640 0.002 0.000 0.608 279 D C 0.287 176.591 176.300 0.007 0.000 0.654 279 D CA 1.271 55.281 54.000 0.017 0.000 1.507 279 D CB -0.782 40.032 40.800 0.024 0.000 0.585 279 D HN 0.289 nan 8.370 nan 0.000 0.230 280 A N -0.798 122.034 122.820 0.021 0.000 2.453 280 A HA -0.013 4.308 4.320 0.002 0.000 0.271 280 A C -1.486 176.070 177.584 -0.047 0.000 1.531 280 A CA 0.560 52.607 52.037 0.018 0.000 1.579 280 A CB -1.169 17.872 19.000 0.068 0.000 0.998 280 A HN 0.651 nan 8.150 nan 0.000 0.431 281 P HA 0.187 nan 4.420 nan 0.000 0.271 281 P C 0.215 177.340 177.300 -0.292 0.000 1.233 281 P CA -0.261 62.762 63.100 -0.129 0.000 0.789 281 P CB 0.546 32.214 31.700 -0.054 0.000 0.951 282 S N 1.126 116.661 115.700 -0.275 0.000 2.585 282 S HA 0.253 4.724 4.470 0.002 0.000 0.273 282 S C -1.955 172.324 174.600 -0.535 0.000 1.339 282 S CA -1.022 56.983 58.200 -0.325 0.000 1.028 282 S CB -0.504 62.568 63.200 -0.213 0.000 0.906 282 S HN 0.375 nan 8.310 nan 0.000 0.528 283 P HA 0.112 nan 4.420 nan 0.000 0.266 283 P C -0.993 176.064 177.300 -0.406 0.000 1.195 283 P CA 0.046 62.815 63.100 -0.552 0.000 0.768 283 P CB 0.116 31.589 31.700 -0.377 0.000 0.838 284 F N 1.791 121.635 119.950 -0.176 0.000 2.394 284 F HA 0.401 4.929 4.527 0.002 0.000 0.340 284 F C 0.989 176.525 175.800 -0.439 0.000 1.105 284 F CA -0.750 57.087 58.000 -0.272 0.000 1.124 284 F CB 0.452 39.272 39.000 -0.300 0.000 1.145 284 F HN 0.066 nan 8.300 nan 0.000 0.505 285 I N 4.356 124.830 120.570 -0.160 0.000 2.354 285 I HA 0.261 4.433 4.170 0.002 0.000 0.286 285 I C -0.869 175.155 176.117 -0.156 0.000 1.007 285 I CA -0.571 60.630 61.300 -0.164 0.000 1.167 285 I CB 0.754 38.709 38.000 -0.075 0.000 1.320 285 I HN 0.320 nan 8.210 nan 0.000 0.458 286 F N 4.892 124.876 119.950 0.056 0.000 2.389 286 F HA 0.345 4.873 4.527 0.002 0.000 0.337 286 F C 0.865 176.467 175.800 -0.330 0.000 1.112 286 F CA -0.568 57.284 58.000 -0.247 0.000 1.192 286 F CB 0.597 39.128 39.000 -0.782 0.000 1.185 286 F HN 0.269 nan 8.300 nan 0.000 0.552 287 K N 0.977 121.315 120.400 -0.103 0.000 2.218 287 K HA 0.316 4.637 4.320 0.002 0.000 0.276 287 K C 0.277 176.783 176.600 -0.156 0.000 1.022 287 K CA -0.607 55.639 56.287 -0.069 0.000 0.946 287 K CB 0.757 33.267 32.500 0.017 0.000 1.000 287 K HN 0.764 nan 8.250 nan 0.000 0.468 288 T N -0.498 114.072 114.554 0.026 0.000 2.788 288 T HA 0.056 4.408 4.350 0.002 0.000 0.287 288 T C 1.242 176.056 174.700 0.191 0.000 1.007 288 T CA -0.771 61.448 62.100 0.198 0.000 1.005 288 T CB 0.459 69.431 68.868 0.173 0.000 1.012 288 T HN 0.271 nan 8.240 nan 0.000 0.530 289 L N 0.622 121.982 121.223 0.228 0.000 2.046 289 L HA 0.010 4.351 4.340 0.002 0.000 0.208 289 L C 2.805 179.737 176.870 0.103 0.000 1.077 289 L CA 1.799 56.729 54.840 0.150 0.000 0.747 289 L CB -1.418 40.714 42.059 0.121 0.000 0.896 289 L HN 0.983 nan 8.230 nan 0.000 0.432 290 E N -0.332 119.927 120.200 0.097 0.000 2.077 290 E HA -0.253 4.098 4.350 0.002 0.000 0.193 290 E C 1.811 178.452 176.600 0.067 0.000 0.989 290 E CA 1.398 57.844 56.400 0.076 0.000 0.800 290 E CB 0.011 29.756 29.700 0.075 0.000 0.746 290 E HN 0.589 nan 8.360 nan 0.000 0.452 291 E N -0.170 120.072 120.200 0.071 0.000 2.268 291 E HA -0.160 4.192 4.350 0.002 0.000 0.195 291 E C 1.656 178.288 176.600 0.053 0.000 0.995 291 E CA 0.685 57.120 56.400 0.058 0.000 0.836 291 E CB 0.099 29.832 29.700 0.055 0.000 0.763 291 E HN 0.377 nan 8.360 nan 0.000 0.491 292 Q N -1.006 118.829 119.800 0.059 0.000 2.319 292 Q HA 0.140 4.481 4.340 0.002 0.000 0.202 292 Q C 0.740 176.769 176.000 0.048 0.000 0.896 292 Q CA 0.333 56.168 55.803 0.053 0.000 0.942 292 Q CB 1.303 30.075 28.738 0.057 0.000 1.083 292 Q HN 0.335 nan 8.270 nan 0.000 0.510 293 G N 0.484 109.313 108.800 0.048 0.000 2.159 293 G HA2 -0.224 3.738 3.960 0.002 0.000 0.227 293 G HA3 -0.224 3.738 3.960 0.002 0.000 0.227 293 G C -0.356 174.571 174.900 0.044 0.000 0.986 293 G CA -0.133 44.992 45.100 0.043 0.000 0.651 293 G HN 0.235 nan 8.290 nan 0.000 0.523 294 L N 0.000 121.253 121.223 0.050 0.000 2.949 294 L HA 0.000 4.341 4.340 0.002 0.000 0.249 294 L CA 0.000 54.869 54.840 0.049 0.000 0.813 294 L CB 0.000 42.093 42.059 0.056 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502