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 2d2o_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLLEAIFHEA KGSYAYPISE TQLRVRLRAK KGDVVRCEVL YADRYASPEE DATA SEQUENCE ELAHALAGKA GSDERFDYFE ALLECSTKRV KYVFLLTGPQ GEAVYFGETG DATA SEQUENCE FSAERSKAGV FQYAYIHRSE VFTTPEWAKE AVIYQIFPER FANGDPSNDP DATA SEQUENCE PGTEQWAKDA RPRHDSFYGG DLKGVIDRLP YLEELGVTAL YFTPIFASPS DATA SEQUENCE HHKYDTADYL AIDPQFGDLP TFRRLVDEAH RRGIKIILDA VFNHAGDQFF DATA SEQUENCE AFRDVLQKGE QSRYKDWFFI EDFPVSKTSR TNYETFAVQV PAMPKLRTEN DATA SEQUENCE PEVKEYLFDV ARFWMEQGID GWRLNVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH DTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATDPDCRR PMIWEEKEQN RGLFEFYKEL IRLRHRLASL DATA SEQUENCE TRGNVRSWHA DKQANLYAFV RTVQDQHVGV VLNNRGEKQT VLLQVPESGG DATA SEQUENCE KTWLDCLTGE EVHGKQGQLK LTLRPYQGMI LWNGR 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 0.000 176.237 176.300 -0.105 0.000 1.140 1 M CA 0.000 55.258 55.300 -0.069 0.000 0.988 1 M CB 0.000 32.558 32.600 -0.070 0.000 1.302 2 L N 3.138 124.306 121.223 -0.091 0.000 2.334 2 L HA 0.359 4.698 4.340 -0.002 0.000 0.286 2 L C 0.645 177.416 176.870 -0.164 0.000 1.108 2 L CA 0.028 54.806 54.840 -0.103 0.000 0.875 2 L CB 0.501 42.527 42.059 -0.054 0.000 1.246 2 L HN 0.835 nan 8.230 nan 0.000 0.439 3 L N 1.997 123.041 121.223 -0.300 0.000 2.191 3 L HA -0.166 4.172 4.340 -0.002 0.000 0.212 3 L C 1.554 178.239 176.870 -0.308 0.000 1.103 3 L CA 0.899 55.398 54.840 -0.570 0.000 0.769 3 L CB -0.273 41.196 42.059 -0.983 0.000 0.908 3 L HN 0.620 nan 8.230 nan 0.000 0.438 4 E N 0.381 120.497 120.200 -0.141 0.000 2.409 4 E HA -0.099 4.250 4.350 -0.002 0.000 0.198 4 E C 1.870 178.502 176.600 0.053 0.000 1.024 4 E CA 0.905 57.297 56.400 -0.013 0.000 0.861 4 E CB -0.052 29.648 29.700 -0.000 0.000 0.788 4 E HN 0.446 nan 8.360 nan 0.000 0.521 5 A N 0.185 123.032 122.820 0.045 0.000 2.348 5 A HA 0.214 4.533 4.320 -0.002 0.000 0.224 5 A C 0.645 178.316 177.584 0.144 0.000 1.227 5 A CA -0.270 51.863 52.037 0.160 0.000 0.885 5 A CB 0.122 19.227 19.000 0.175 0.000 0.933 5 A HN 0.077 nan 8.150 nan 0.000 0.506 6 I N -0.051 120.552 120.570 0.055 0.000 2.428 6 I HA 0.392 4.560 4.170 -0.002 0.000 0.289 6 I C -0.486 175.692 176.117 0.102 0.000 1.019 6 I CA -0.123 61.186 61.300 0.016 0.000 1.351 6 I CB 0.986 38.907 38.000 -0.133 0.000 1.412 6 I HN 0.305 nan 8.210 nan 0.000 0.513 7 F N 5.993 125.916 119.950 -0.044 0.000 2.591 7 F HA 0.598 5.124 4.527 -0.002 0.000 0.309 7 F C -0.858 174.989 175.800 0.079 0.000 1.098 7 F CA -0.403 57.597 58.000 -0.000 0.000 0.937 7 F CB 1.589 40.471 39.000 -0.197 0.000 1.250 7 F HN 0.550 nan 8.300 nan 0.000 0.447 8 H N 2.444 120.899 119.070 -1.025 0.000 3.060 8 H HA 0.474 5.029 4.556 -0.002 0.000 0.330 8 H C -2.105 172.560 175.328 -1.106 0.000 1.305 8 H CA -0.466 55.065 56.048 -0.862 0.000 1.209 8 H CB 1.770 31.262 29.762 -0.449 0.000 1.913 8 H HN 0.688 nan 8.280 nan 0.000 0.534 9 E N 2.653 121.896 120.200 -1.596 0.000 2.321 9 E HA 0.589 4.938 4.350 -0.002 0.000 0.278 9 E C -1.157 174.972 176.600 -0.784 0.000 0.902 9 E CA -1.050 54.792 56.400 -0.931 0.000 0.758 9 E CB 1.962 31.382 29.700 -0.467 0.000 1.213 9 E HN 0.660 nan 8.360 nan 0.000 0.426 10 A N 4.126 126.751 122.820 -0.324 0.000 2.711 10 A HA 0.126 4.445 4.320 -0.002 0.000 0.242 10 A C 0.042 177.751 177.584 0.208 0.000 1.607 10 A CA 0.628 52.733 52.037 0.113 0.000 1.370 10 A CB -0.949 18.197 19.000 0.243 0.000 0.934 10 A HN 0.621 nan 8.150 nan 0.000 0.628 11 K N -2.957 117.538 120.400 0.158 0.000 2.756 11 K HA 0.575 4.893 4.320 -0.002 0.000 0.286 11 K C 0.627 177.380 176.600 0.255 0.000 1.029 11 K CA -0.483 55.950 56.287 0.242 0.000 0.791 11 K CB -0.402 32.169 32.500 0.119 0.000 1.481 11 K HN 1.313 nan 8.250 nan 0.000 0.360 12 G N 0.887 109.831 108.800 0.240 0.000 2.611 12 G HA2 -0.413 3.546 3.960 -0.002 0.000 0.301 12 G HA3 -0.413 3.546 3.960 -0.002 0.000 0.301 12 G C 0.753 175.857 174.900 0.341 0.000 1.233 12 G CA 1.512 46.760 45.100 0.245 0.000 0.993 12 G HN 1.456 nan 8.290 nan 0.000 0.553 13 S N -1.123 114.803 115.700 0.376 0.000 2.575 13 S HA 0.310 4.779 4.470 -0.002 0.000 0.215 13 S C 1.643 176.460 174.600 0.361 0.000 0.966 13 S CA 1.296 59.721 58.200 0.375 0.000 0.911 13 S CB 0.114 63.455 63.200 0.236 0.000 0.780 13 S HN 0.596 nan 8.310 nan 0.000 0.514 14 Y N 2.078 122.534 120.300 0.261 0.000 2.500 14 Y HA 0.600 5.148 4.550 -0.002 0.000 0.270 14 Y C 1.043 177.014 175.900 0.117 0.000 1.134 14 Y CA -0.197 58.005 58.100 0.169 0.000 1.293 14 Y CB 0.349 38.830 38.460 0.035 0.000 1.063 14 Y HN 0.448 nan 8.280 nan 0.000 0.534 15 A N 0.073 123.039 122.820 0.243 0.000 2.497 15 A HA 0.658 4.976 4.320 -0.002 0.000 0.280 15 A C -1.793 175.871 177.584 0.133 0.000 1.065 15 A CA -0.535 51.559 52.037 0.095 0.000 0.781 15 A CB 0.108 19.278 19.000 0.283 0.000 1.289 15 A HN 0.232 nan 8.150 nan 0.000 0.415 16 Y N 0.747 120.985 120.300 -0.103 0.000 2.604 16 Y HA 0.831 5.380 4.550 -0.002 0.000 0.331 16 Y C -3.382 172.406 175.900 -0.187 0.000 1.158 16 Y CA -2.684 55.365 58.100 -0.085 0.000 1.056 16 Y CB 1.201 39.709 38.460 0.082 0.000 1.330 16 Y HN 0.387 nan 8.280 nan 0.000 0.457 17 P HA 0.375 nan 4.420 nan 0.000 0.281 17 P C 0.177 177.575 177.300 0.162 0.000 1.249 17 P CA -0.399 62.695 63.100 -0.010 0.000 0.810 17 P CB 2.376 34.078 31.700 0.003 0.000 1.008 18 I N -1.202 119.405 120.570 0.061 0.000 4.227 18 I HA 0.265 4.433 4.170 -0.002 0.000 0.334 18 I C 0.311 176.455 176.117 0.044 0.000 1.341 18 I CA -0.181 61.171 61.300 0.086 0.000 1.123 18 I CB 0.336 38.363 38.000 0.046 0.000 1.097 18 I HN 0.333 nan 8.210 nan 0.000 0.399 19 S N -0.559 115.156 115.700 0.025 0.000 2.703 19 S HA 0.295 4.764 4.470 -0.002 0.000 0.273 19 S C 0.267 174.876 174.600 0.015 0.000 1.178 19 S CA -0.450 57.762 58.200 0.020 0.000 0.838 19 S CB 1.526 64.726 63.200 -0.001 0.000 1.178 19 S HN 0.215 nan 8.310 nan 0.000 0.494 20 E N -0.016 120.194 120.200 0.015 0.000 2.427 20 E HA -0.000 4.349 4.350 -0.002 0.000 0.196 20 E C 0.954 177.533 176.600 -0.035 0.000 1.028 20 E CA 1.421 57.825 56.400 0.008 0.000 0.864 20 E CB -0.014 29.700 29.700 0.022 0.000 0.813 20 E HN 0.769 nan 8.360 nan 0.000 0.514 21 T N -2.932 111.599 114.554 -0.039 0.000 3.111 21 T HA 0.234 4.583 4.350 -0.002 0.000 0.284 21 T C 0.135 174.793 174.700 -0.071 0.000 0.983 21 T CA -0.561 61.506 62.100 -0.055 0.000 0.900 21 T CB 0.394 69.243 68.868 -0.033 0.000 1.132 21 T HN -0.079 nan 8.240 nan 0.000 0.531 22 Q N 1.019 120.767 119.800 -0.087 0.000 2.337 22 Q HA 0.693 5.032 4.340 -0.002 0.000 0.270 22 Q C -1.927 173.958 176.000 -0.191 0.000 1.043 22 Q CA -0.916 54.811 55.803 -0.127 0.000 0.794 22 Q CB 2.927 31.610 28.738 -0.093 0.000 1.281 22 Q HN 0.230 nan 8.270 nan 0.000 0.446 23 L N 2.174 123.223 121.223 -0.290 0.000 2.333 23 L HA 0.548 4.886 4.340 -0.002 0.000 0.280 23 L C -1.051 175.550 176.870 -0.449 0.000 1.004 23 L CA -0.453 54.139 54.840 -0.414 0.000 0.820 23 L CB 1.455 43.199 42.059 -0.525 0.000 1.247 23 L HN 0.466 nan 8.230 nan 0.000 0.416 24 R N 3.713 123.892 120.500 -0.536 0.000 2.297 24 R HA 0.721 5.060 4.340 -0.002 0.000 0.308 24 R C -1.397 174.570 176.300 -0.556 0.000 1.029 24 R CA -0.402 55.363 56.100 -0.558 0.000 0.929 24 R CB 1.077 30.931 30.300 -0.744 0.000 1.046 24 R HN 0.508 nan 8.270 nan 0.000 0.461 25 V N 1.240 120.954 119.914 -0.333 0.000 2.735 25 V HA 0.737 4.856 4.120 -0.002 0.000 0.310 25 V C -0.542 175.580 176.094 0.047 0.000 1.061 25 V CA -1.019 61.209 62.300 -0.121 0.000 0.913 25 V CB 2.149 33.868 31.823 -0.173 0.000 1.005 25 V HN 0.761 nan 8.190 nan 0.000 0.428 26 R N 2.739 123.361 120.500 0.203 0.000 2.807 26 R HA 0.870 5.209 4.340 -0.002 0.000 0.276 26 R C -1.454 175.126 176.300 0.467 0.000 0.979 26 R CA -0.727 55.491 56.100 0.197 0.000 0.928 26 R CB 2.529 32.740 30.300 -0.149 0.000 1.191 26 R HN 0.881 nan 8.270 nan 0.000 0.471 27 L N 1.091 122.533 121.223 0.365 0.000 2.455 27 L HA 0.569 4.907 4.340 -0.002 0.000 0.264 27 L C -1.247 175.848 176.870 0.375 0.000 0.968 27 L CA -0.704 54.310 54.840 0.290 0.000 0.827 27 L CB 1.886 43.820 42.059 -0.207 0.000 1.317 27 L HN 0.523 nan 8.230 nan 0.000 0.407 28 R N 3.894 124.597 120.500 0.337 0.000 2.589 28 R HA 0.924 5.262 4.340 -0.002 0.000 0.293 28 R C -1.614 174.732 176.300 0.077 0.000 0.963 28 R CA -0.102 56.046 56.100 0.081 0.000 0.905 28 R CB 1.945 32.199 30.300 -0.076 0.000 1.144 28 R HN 0.828 nan 8.270 nan 0.000 0.459 29 A N 3.306 126.189 122.820 0.104 0.000 2.594 29 A HA 0.344 4.662 4.320 -0.002 0.000 0.291 29 A C -1.267 176.477 177.584 0.266 0.000 1.105 29 A CA -0.854 51.294 52.037 0.185 0.000 0.694 29 A CB 1.292 20.412 19.000 0.201 0.000 1.291 29 A HN 0.742 nan 8.150 nan 0.000 0.410 30 K N 1.173 121.697 120.400 0.206 0.000 2.484 30 K HA 0.036 4.355 4.320 -0.002 0.000 0.280 30 K C 0.163 176.796 176.600 0.055 0.000 1.013 30 K CA 0.089 56.431 56.287 0.092 0.000 1.029 30 K CB 0.285 32.792 32.500 0.012 0.000 0.902 30 K HN 0.627 nan 8.250 nan 0.000 0.481 31 K N 2.804 123.193 120.400 -0.019 0.000 2.504 31 K HA -0.127 4.192 4.320 -0.002 0.000 0.278 31 K C 0.731 177.341 176.600 0.018 0.000 1.025 31 K CA 1.356 57.640 56.287 -0.005 0.000 1.093 31 K CB -0.110 32.359 32.500 -0.051 0.000 0.873 31 K HN 0.890 nan 8.250 nan 0.000 0.483 32 G N 3.826 112.660 108.800 0.057 0.000 2.234 32 G HA2 -0.284 3.674 3.960 -0.002 0.000 0.260 32 G HA3 -0.284 3.674 3.960 -0.002 0.000 0.260 32 G C 0.584 175.523 174.900 0.066 0.000 0.987 32 G CA 0.490 45.626 45.100 0.060 0.000 0.625 32 G HN 0.787 nan 8.290 nan 0.000 0.532 33 D N -0.260 120.181 120.400 0.069 0.000 2.183 33 D HA 0.197 4.836 4.640 -0.002 0.000 0.203 33 D C 1.182 177.516 176.300 0.057 0.000 0.969 33 D CA 1.268 55.296 54.000 0.048 0.000 0.842 33 D CB 0.245 41.064 40.800 0.032 0.000 0.957 33 D HN 0.391 nan 8.370 nan 0.000 0.484 34 V N 1.135 121.122 119.914 0.121 0.000 2.444 34 V HA 0.153 4.271 4.120 -0.002 0.000 0.294 34 V C 1.171 177.347 176.094 0.136 0.000 1.022 34 V CA -0.521 61.817 62.300 0.064 0.000 0.850 34 V CB 2.060 33.859 31.823 -0.040 0.000 0.992 34 V HN -0.040 nan 8.190 nan 0.000 0.426 35 V N 1.887 121.830 119.914 0.048 0.000 3.431 35 V HA 0.428 4.547 4.120 -0.002 0.000 0.253 35 V C 0.743 176.858 176.094 0.034 0.000 1.184 35 V CA 0.409 62.764 62.300 0.092 0.000 1.104 35 V CB -0.106 31.755 31.823 0.064 0.000 0.799 35 V HN 0.723 nan 8.190 nan 0.000 0.462 36 R N -0.374 120.071 120.500 -0.092 0.000 2.533 36 R HA 0.625 4.964 4.340 -0.002 0.000 0.288 36 R C -2.044 174.104 176.300 -0.253 0.000 1.039 36 R CA -0.240 55.790 56.100 -0.117 0.000 0.909 36 R CB 1.896 32.173 30.300 -0.038 0.000 1.195 36 R HN 0.373 nan 8.270 nan 0.000 0.438 37 C N 4.186 123.303 119.300 -0.304 0.000 2.346 37 C HA 0.530 4.989 4.460 -0.002 0.000 0.326 37 C C -0.672 174.314 174.990 -0.007 0.000 1.224 37 C CA -0.276 58.586 59.018 -0.261 0.000 1.408 37 C CB 0.916 28.296 27.740 -0.599 0.000 2.089 37 C HN 0.996 nan 8.230 nan 0.000 0.456 38 E N 4.086 124.332 120.200 0.077 0.000 2.238 38 E HA 0.720 5.068 4.350 -0.002 0.000 0.267 38 E C -1.495 175.188 176.600 0.139 0.000 0.887 38 E CA -0.509 55.960 56.400 0.115 0.000 0.769 38 E CB 2.055 31.819 29.700 0.106 0.000 1.187 38 E HN 0.575 nan 8.360 nan 0.000 0.416 39 V N 5.051 125.015 119.914 0.082 0.000 2.417 39 V HA 0.366 4.484 4.120 -0.002 0.000 0.291 39 V C -0.243 175.884 176.094 0.054 0.000 1.024 39 V CA -0.707 61.569 62.300 -0.040 0.000 0.861 39 V CB 1.199 32.897 31.823 -0.208 0.000 0.985 39 V HN 0.601 nan 8.190 nan 0.000 0.436 40 L N 6.719 127.949 121.223 0.012 0.000 2.305 40 L HA 0.670 5.009 4.340 -0.002 0.000 0.284 40 L C -0.646 176.268 176.870 0.074 0.000 1.013 40 L CA -0.523 54.278 54.840 -0.064 0.000 0.819 40 L CB 0.972 42.952 42.059 -0.132 0.000 1.227 40 L HN 0.817 nan 8.230 nan 0.000 0.417 41 Y N 2.178 122.406 120.300 -0.121 0.000 2.644 41 Y HA 0.973 5.522 4.550 -0.002 0.000 0.338 41 Y C -0.693 175.183 175.900 -0.041 0.000 1.119 41 Y CA -1.089 56.983 58.100 -0.047 0.000 1.060 41 Y CB 1.902 40.340 38.460 -0.037 0.000 1.294 41 Y HN 0.590 nan 8.280 nan 0.000 0.472 42 A N 0.768 123.633 122.820 0.075 0.000 2.540 42 A HA 0.422 4.741 4.320 -0.002 0.000 0.291 42 A C -1.915 175.719 177.584 0.083 0.000 1.083 42 A CA -0.604 51.423 52.037 -0.017 0.000 0.650 42 A CB 0.839 19.799 19.000 -0.067 0.000 1.292 42 A HN 0.905 nan 8.150 nan 0.000 0.435 43 D N -0.294 120.143 120.400 0.061 0.000 2.449 43 D HA 0.191 4.830 4.640 -0.002 0.000 0.236 43 D C 1.128 177.478 176.300 0.083 0.000 1.149 43 D CA 0.237 54.297 54.000 0.099 0.000 0.878 43 D CB 0.608 41.470 40.800 0.104 0.000 1.198 43 D HN 0.431 nan 8.370 nan 0.000 0.446 44 R N 1.954 122.512 120.500 0.097 0.000 2.285 44 R HA -0.116 4.222 4.340 -0.002 0.000 0.213 44 R C 0.424 176.562 176.300 -0.269 0.000 1.068 44 R CA 0.870 56.929 56.100 -0.067 0.000 1.004 44 R CB -0.043 30.206 30.300 -0.085 0.000 0.873 44 R HN 0.592 nan 8.270 nan 0.000 0.467 45 Y N -0.717 119.595 120.300 0.020 0.000 2.612 45 Y HA 0.360 4.909 4.550 -0.002 0.000 0.250 45 Y C 0.649 176.550 175.900 0.000 0.000 1.175 45 Y CA -0.723 57.384 58.100 0.011 0.000 1.205 45 Y CB 0.424 38.895 38.460 0.019 0.000 1.201 45 Y HN -0.053 nan 8.280 nan 0.000 0.532 46 A N 0.550 123.423 122.820 0.089 0.000 2.483 46 A HA 0.270 4.589 4.320 -0.002 0.000 0.238 46 A C 0.846 178.441 177.584 0.018 0.000 1.070 46 A CA 0.140 52.204 52.037 0.045 0.000 0.770 46 A CB 0.129 19.135 19.000 0.010 0.000 1.008 46 A HN 0.263 nan 8.150 nan 0.000 0.497 47 S N 1.771 117.480 115.700 0.014 0.000 2.584 47 S HA 0.255 4.724 4.470 -0.002 0.000 0.270 47 S C -1.448 173.142 174.600 -0.018 0.000 1.346 47 S CA -0.774 57.427 58.200 0.002 0.000 1.018 47 S CB 0.289 63.491 63.200 0.004 0.000 0.899 47 S HN 0.466 nan 8.310 nan 0.000 0.542 48 P HA -0.055 nan 4.420 nan 0.000 0.220 48 P C 0.705 177.985 177.300 -0.034 0.000 1.148 48 P CA 0.829 63.907 63.100 -0.036 0.000 0.803 48 P CB 0.040 31.719 31.700 -0.034 0.000 0.782 49 E N -0.673 119.513 120.200 -0.024 0.000 2.444 49 E HA 0.071 4.419 4.350 -0.002 0.000 0.191 49 E C -0.016 176.572 176.600 -0.020 0.000 1.041 49 E CA 0.145 56.532 56.400 -0.021 0.000 0.883 49 E CB -0.217 29.474 29.700 -0.015 0.000 1.024 49 E HN 0.353 nan 8.360 nan 0.000 0.470 50 E N 1.742 121.928 120.200 -0.024 0.000 2.331 50 E HA 0.156 4.505 4.350 -0.002 0.000 0.272 50 E C -0.482 176.098 176.600 -0.034 0.000 1.036 50 E CA -0.274 56.111 56.400 -0.025 0.000 0.864 50 E CB 1.007 30.693 29.700 -0.023 0.000 1.035 50 E HN 0.174 nan 8.360 nan 0.000 0.408 51 E N 2.058 122.241 120.200 -0.029 0.000 2.373 51 E HA 0.124 4.473 4.350 -0.002 0.000 0.267 51 E C -0.356 176.207 176.600 -0.061 0.000 1.032 51 E CA -0.155 56.231 56.400 -0.024 0.000 0.889 51 E CB 0.746 30.447 29.700 0.001 0.000 0.984 51 E HN 0.233 nan 8.360 nan 0.000 0.425 52 L N 2.171 123.343 121.223 -0.085 0.000 2.371 52 L HA 0.323 4.662 4.340 -0.002 0.000 0.272 52 L C 0.482 177.213 176.870 -0.232 0.000 1.124 52 L CA -0.603 54.123 54.840 -0.190 0.000 0.816 52 L CB 0.848 42.769 42.059 -0.230 0.000 1.129 52 L HN 0.584 nan 8.230 nan 0.000 0.448 53 A N 2.874 125.435 122.820 -0.431 0.000 2.332 53 A HA 0.394 4.712 4.320 -0.002 0.000 0.258 53 A C -0.425 176.927 177.584 -0.386 0.000 1.087 53 A CA -0.268 51.493 52.037 -0.460 0.000 0.802 53 A CB 0.210 18.618 19.000 -0.987 0.000 1.042 53 A HN 0.766 nan 8.150 nan 0.000 0.489 54 H N -0.315 118.676 119.070 -0.131 0.000 2.572 54 H HA 0.623 5.178 4.556 -0.002 0.000 0.359 54 H C -0.525 174.917 175.328 0.190 0.000 1.134 54 H CA -0.195 55.889 56.048 0.059 0.000 1.187 54 H CB 2.071 31.853 29.762 0.034 0.000 1.597 54 H HN 0.827 nan 8.280 nan 0.000 0.524 55 A N 3.458 126.465 122.820 0.312 0.000 2.414 55 A HA 0.279 4.597 4.320 -0.002 0.000 0.286 55 A C -1.268 176.392 177.584 0.126 0.000 1.073 55 A CA -0.624 51.532 52.037 0.198 0.000 0.727 55 A CB 1.106 20.173 19.000 0.112 0.000 1.215 55 A HN 0.470 nan 8.150 nan 0.000 0.430 56 L N 2.941 124.231 121.223 0.112 0.000 2.319 56 L HA 0.667 5.006 4.340 -0.002 0.000 0.280 56 L C 0.489 177.420 176.870 0.102 0.000 1.099 56 L CA 0.180 55.082 54.840 0.103 0.000 0.828 56 L CB 1.016 43.130 42.059 0.092 0.000 1.150 56 L HN 0.835 nan 8.230 nan 0.000 0.442 57 A N 4.681 127.577 122.820 0.128 0.000 2.279 57 A HA 0.657 4.975 4.320 -0.002 0.000 0.306 57 A C 0.472 178.213 177.584 0.261 0.000 1.300 57 A CA 0.009 52.155 52.037 0.181 0.000 0.925 57 A CB -0.184 18.960 19.000 0.240 0.000 1.152 57 A HN 0.918 nan 8.150 nan 0.000 0.544 58 G N 1.300 110.231 108.800 0.219 0.000 2.539 58 G HA2 0.394 4.352 3.960 -0.002 0.000 0.258 58 G HA3 0.394 4.352 3.960 -0.002 0.000 0.258 58 G C 0.080 175.145 174.900 0.275 0.000 1.202 58 G CA -0.661 44.580 45.100 0.235 0.000 0.851 58 G HN 0.823 nan 8.290 nan 0.000 0.556 59 K N 0.759 121.284 120.400 0.209 0.000 2.363 59 K HA 0.335 4.653 4.320 -0.002 0.000 0.289 59 K C 1.017 177.598 176.600 -0.030 0.000 1.063 59 K CA 0.052 56.292 56.287 -0.078 0.000 0.967 59 K CB 0.540 32.971 32.500 -0.115 0.000 0.987 59 K HN 0.388 nan 8.250 nan 0.000 0.473 60 A N 3.708 126.503 122.820 -0.041 0.000 2.238 60 A HA 0.284 4.603 4.320 -0.002 0.000 0.210 60 A C 0.643 178.232 177.584 0.007 0.000 1.179 60 A CA 0.742 52.781 52.037 0.005 0.000 0.827 60 A CB 0.151 19.159 19.000 0.012 0.000 0.856 60 A HN 0.865 nan 8.150 nan 0.000 0.488 61 G N -2.340 106.470 108.800 0.017 0.000 2.316 61 G HA2 0.469 4.428 3.960 -0.002 0.000 0.296 61 G HA3 0.469 4.428 3.960 -0.002 0.000 0.296 61 G C -1.275 173.731 174.900 0.176 0.000 1.399 61 G CA 0.068 45.213 45.100 0.075 0.000 0.833 61 G HN 0.527 nan 8.290 nan 0.000 0.565 62 S N -0.059 115.756 115.700 0.193 0.000 2.533 62 S HA 0.720 5.189 4.470 -0.002 0.000 0.271 62 S C -0.837 173.893 174.600 0.216 0.000 1.143 62 S CA -0.498 57.828 58.200 0.210 0.000 0.891 62 S CB 2.272 65.521 63.200 0.082 0.000 1.105 62 S HN 1.089 nan 8.310 nan 0.000 0.468 63 D N 0.667 121.228 120.400 0.268 0.000 2.636 63 D HA 0.369 5.008 4.640 -0.002 0.000 0.236 63 D C 0.736 177.088 176.300 0.086 0.000 1.176 63 D CA -0.559 53.553 54.000 0.186 0.000 1.081 63 D CB -0.175 40.794 40.800 0.281 0.000 1.213 63 D HN 0.434 nan 8.370 nan 0.000 0.633 64 E N -0.927 119.299 120.200 0.044 0.000 2.150 64 E HA -0.035 4.314 4.350 -0.002 0.000 0.193 64 E C 1.699 178.229 176.600 -0.117 0.000 0.985 64 E CA 0.876 57.262 56.400 -0.024 0.000 0.814 64 E CB 0.147 29.832 29.700 -0.025 0.000 0.752 64 E HN 0.301 nan 8.360 nan 0.000 0.466 65 R N -1.229 119.126 120.500 -0.241 0.000 2.394 65 R HA 0.209 4.547 4.340 -0.002 0.000 0.220 65 R C -0.042 175.824 176.300 -0.724 0.000 0.887 65 R CA -0.062 55.694 56.100 -0.574 0.000 1.034 65 R CB 0.724 30.462 30.300 -0.936 0.000 1.179 65 R HN -0.052 nan 8.270 nan 0.000 0.561 66 F N 0.043 119.947 119.950 -0.078 0.000 2.631 66 F HA 0.428 4.954 4.527 -0.002 0.000 0.328 66 F C -0.090 175.555 175.800 -0.259 0.000 1.067 66 F CA -1.319 56.552 58.000 -0.215 0.000 0.969 66 F CB 1.293 40.031 39.000 -0.437 0.000 1.332 66 F HN -0.306 nan 8.300 nan 0.000 0.490 67 D N -0.169 120.166 120.400 -0.108 0.000 2.269 67 D HA 0.358 4.996 4.640 -0.002 0.000 0.244 67 D C -1.505 174.511 176.300 -0.474 0.000 0.992 67 D CA -0.275 53.585 54.000 -0.233 0.000 0.894 67 D CB 1.903 42.566 40.800 -0.228 0.000 1.248 67 D HN 0.321 nan 8.370 nan 0.000 0.468 68 Y N 0.700 120.818 120.300 -0.303 0.000 2.338 68 Y HA 0.403 4.952 4.550 -0.003 0.000 0.333 68 Y C -0.426 175.252 175.900 -0.371 0.000 0.968 68 Y CA -0.844 57.147 58.100 -0.183 0.000 1.123 68 Y CB 1.076 39.487 38.460 -0.081 0.000 1.165 68 Y HN 0.146 nan 8.280 nan 0.000 0.452 69 F N 1.557 121.614 119.950 0.179 0.000 2.458 69 F HA 0.562 5.088 4.527 -0.002 0.000 0.330 69 F C 0.078 175.948 175.800 0.116 0.000 1.082 69 F CA -0.918 57.161 58.000 0.130 0.000 0.995 69 F CB 1.776 40.840 39.000 0.107 0.000 1.170 69 F HN 0.376 nan 8.300 nan 0.000 0.478 70 E N 1.258 121.612 120.200 0.257 0.000 2.308 70 E HA 0.770 5.119 4.350 -0.002 0.000 0.275 70 E C -1.718 174.940 176.600 0.098 0.000 0.890 70 E CA -0.734 55.745 56.400 0.132 0.000 0.754 70 E CB 2.014 31.747 29.700 0.055 0.000 1.207 70 E HN 0.761 nan 8.360 nan 0.000 0.426 71 A N 3.109 125.947 122.820 0.029 0.000 2.527 71 A HA 0.733 5.052 4.320 -0.002 0.000 0.293 71 A C -1.952 175.549 177.584 -0.138 0.000 1.117 71 A CA -0.693 51.328 52.037 -0.027 0.000 0.723 71 A CB 1.494 20.485 19.000 -0.015 0.000 1.313 71 A HN 0.447 nan 8.150 nan 0.000 0.411 72 L N 1.135 122.269 121.223 -0.148 0.000 2.325 72 L HA 0.632 4.970 4.340 -0.002 0.000 0.281 72 L C -1.230 175.473 176.870 -0.278 0.000 1.004 72 L CA -0.259 54.460 54.840 -0.202 0.000 0.823 72 L CB 1.062 43.047 42.059 -0.124 0.000 1.236 72 L HN 0.591 nan 8.230 nan 0.000 0.415 73 L N 4.638 125.600 121.223 -0.435 0.000 2.282 73 L HA 0.498 4.836 4.340 -0.002 0.000 0.288 73 L C -0.089 176.582 176.870 -0.332 0.000 1.033 73 L CA -0.731 53.704 54.840 -0.676 0.000 0.807 73 L CB 1.177 42.603 42.059 -1.055 0.000 1.209 73 L HN 0.470 nan 8.230 nan 0.000 0.423 74 E N 2.687 122.836 120.200 -0.084 0.000 2.044 74 E HA 0.201 4.549 4.350 -0.002 0.000 0.282 74 E C -0.996 175.676 176.600 0.120 0.000 1.031 74 E CA -0.216 56.206 56.400 0.037 0.000 0.824 74 E CB 1.319 31.076 29.700 0.094 0.000 1.076 74 E HN 0.518 nan 8.360 nan 0.000 0.395 75 C N 2.786 122.098 119.300 0.020 0.000 2.357 75 C HA 0.132 4.591 4.460 -0.002 0.000 0.300 75 C C 1.862 176.851 174.990 -0.002 0.000 1.074 75 C CA -0.689 58.350 59.018 0.036 0.000 1.566 75 C CB -1.000 26.728 27.740 -0.020 0.000 1.791 75 C HN 0.700 nan 8.230 nan 0.000 0.415 76 S N 0.969 116.679 115.700 0.016 0.000 2.442 76 S HA -0.175 4.294 4.470 -0.002 0.000 0.236 76 S C 1.586 176.174 174.600 -0.020 0.000 1.007 76 S CA 1.894 60.093 58.200 -0.003 0.000 0.965 76 S CB -0.599 62.606 63.200 0.008 0.000 0.773 76 S HN 0.833 nan 8.310 nan 0.000 0.504 77 T N -1.351 113.193 114.554 -0.017 0.000 3.081 77 T HA 0.271 4.620 4.350 -0.002 0.000 0.255 77 T C 0.662 175.284 174.700 -0.129 0.000 1.113 77 T CA 0.300 62.382 62.100 -0.031 0.000 1.082 77 T CB -0.626 68.253 68.868 0.019 0.000 0.939 77 T HN 0.516 nan 8.240 nan 0.000 0.506 78 K N 0.102 120.407 120.400 -0.159 0.000 3.446 78 K HA -0.152 4.167 4.320 -0.002 0.000 0.312 78 K C -0.437 175.958 176.600 -0.342 0.000 1.329 78 K CA 0.717 56.814 56.287 -0.316 0.000 0.935 78 K CB -1.319 30.841 32.500 -0.565 0.000 1.281 78 K HN 0.512 nan 8.250 nan 0.000 0.457 79 R N 0.476 120.908 120.500 -0.113 0.000 2.514 79 R HA 0.576 4.915 4.340 -0.002 0.000 0.296 79 R C -1.264 175.103 176.300 0.111 0.000 1.012 79 R CA -0.718 55.404 56.100 0.036 0.000 0.897 79 R CB 2.645 33.030 30.300 0.142 0.000 1.184 79 R HN -0.009 nan 8.270 nan 0.000 0.440 80 V N 3.250 123.266 119.914 0.169 0.000 2.841 80 V HA 0.567 4.686 4.120 -0.002 0.000 0.310 80 V C -1.462 174.791 176.094 0.265 0.000 1.090 80 V CA -0.744 61.683 62.300 0.211 0.000 0.930 80 V CB 2.227 34.159 31.823 0.181 0.000 1.014 80 V HN 0.791 nan 8.190 nan 0.000 0.425 81 K N 5.579 126.112 120.400 0.221 0.000 2.316 81 K HA 0.821 5.139 4.320 -0.002 0.000 0.251 81 K C -1.640 175.079 176.600 0.198 0.000 0.934 81 K CA -0.668 55.682 56.287 0.105 0.000 0.802 81 K CB 2.183 34.669 32.500 -0.024 0.000 1.171 81 K HN 0.808 nan 8.250 nan 0.000 0.426 82 Y N -1.774 118.512 120.300 -0.024 0.000 2.624 82 Y HA 0.681 5.229 4.550 -0.002 0.000 0.334 82 Y C -1.850 173.948 175.900 -0.170 0.000 1.155 82 Y CA -1.373 56.672 58.100 -0.091 0.000 1.046 82 Y CB 1.350 39.716 38.460 -0.156 0.000 1.316 82 Y HN 0.413 nan 8.280 nan 0.000 0.457 83 V N 2.551 122.413 119.914 -0.086 0.000 2.925 83 V HA 0.675 4.793 4.120 -0.002 0.000 0.311 83 V C -1.756 174.285 176.094 -0.088 0.000 1.104 83 V CA -1.182 61.047 62.300 -0.118 0.000 0.954 83 V CB 2.011 33.791 31.823 -0.072 0.000 1.022 83 V HN 0.712 nan 8.190 nan 0.000 0.427 84 F N 5.225 125.292 119.950 0.195 0.000 2.399 84 F HA 0.578 5.104 4.527 -0.002 0.000 0.334 84 F C 0.097 176.021 175.800 0.207 0.000 1.097 84 F CA -0.554 57.570 58.000 0.207 0.000 1.076 84 F CB 1.619 40.773 39.000 0.257 0.000 1.162 84 F HN 0.268 nan 8.300 nan 0.000 0.495 85 L N 5.269 126.649 121.223 0.262 0.000 2.318 85 L HA 0.507 4.845 4.340 -0.002 0.000 0.277 85 L C -1.436 175.433 176.870 -0.002 0.000 1.008 85 L CA -0.518 54.306 54.840 -0.028 0.000 0.846 85 L CB 0.746 42.735 42.059 -0.117 0.000 1.220 85 L HN 0.563 nan 8.230 nan 0.000 0.423 86 L N 4.440 125.659 121.223 -0.008 0.000 2.282 86 L HA 0.492 4.831 4.340 -0.002 0.000 0.288 86 L C -0.108 176.719 176.870 -0.072 0.000 1.033 86 L CA -0.361 54.458 54.840 -0.035 0.000 0.807 86 L CB 1.711 43.782 42.059 0.020 0.000 1.209 86 L HN 0.489 nan 8.230 nan 0.000 0.423 87 T N 1.788 116.290 114.554 -0.086 0.000 2.779 87 T HA 0.515 4.864 4.350 -0.002 0.000 0.280 87 T C 0.436 175.108 174.700 -0.045 0.000 0.987 87 T CA -0.516 61.547 62.100 -0.063 0.000 0.966 87 T CB 1.789 70.626 68.868 -0.052 0.000 0.933 87 T HN 0.738 nan 8.240 nan 0.000 0.442 88 G N 2.633 111.415 108.800 -0.029 0.000 2.557 88 G HA2 0.439 4.398 3.960 -0.002 0.000 0.292 88 G HA3 0.439 4.398 3.960 -0.002 0.000 0.292 88 G C -1.713 173.187 174.900 -0.001 0.000 1.237 88 G CA -1.636 43.456 45.100 -0.013 0.000 0.978 88 G HN 0.376 nan 8.290 nan 0.000 0.498 89 P HA -0.078 nan 4.420 nan 0.000 0.216 89 P C 1.400 178.704 177.300 0.007 0.000 1.150 89 P CA 1.185 64.293 63.100 0.013 0.000 0.837 89 P CB 0.213 31.922 31.700 0.015 0.000 0.786 90 Q N -1.589 118.212 119.800 0.001 0.000 2.365 90 Q HA 0.232 4.571 4.340 -0.002 0.000 0.203 90 Q C 1.161 177.160 176.000 -0.001 0.000 0.929 90 Q CA 0.525 56.328 55.803 -0.000 0.000 0.948 90 Q CB -0.304 28.432 28.738 -0.003 0.000 1.043 90 Q HN 0.219 nan 8.270 nan 0.000 0.505 91 G N 1.793 110.591 108.800 -0.003 0.000 2.179 91 G HA2 -0.280 3.678 3.960 -0.002 0.000 0.260 91 G HA3 -0.280 3.678 3.960 -0.002 0.000 0.260 91 G C 0.033 174.926 174.900 -0.012 0.000 0.977 91 G CA 0.306 45.402 45.100 -0.006 0.000 0.641 91 G HN 0.475 nan 8.290 nan 0.000 0.533 92 E N 0.725 120.917 120.200 -0.014 0.000 2.384 92 E HA 0.555 4.904 4.350 -0.002 0.000 0.266 92 E C 0.103 176.686 176.600 -0.029 0.000 1.012 92 E CA 0.420 56.810 56.400 -0.017 0.000 0.901 92 E CB 1.399 31.089 29.700 -0.017 0.000 0.967 92 E HN 1.281 nan 8.360 nan 0.000 0.435 93 A N 2.813 125.612 122.820 -0.035 0.000 2.423 93 A HA 0.727 5.046 4.320 -0.002 0.000 0.304 93 A C -1.083 176.464 177.584 -0.062 0.000 1.104 93 A CA -0.708 51.287 52.037 -0.070 0.000 0.757 93 A CB 2.312 21.248 19.000 -0.107 0.000 1.313 93 A HN 0.562 nan 8.150 nan 0.000 0.423 94 V N 0.709 120.571 119.914 -0.087 0.000 3.077 94 V HA 0.567 4.685 4.120 -0.002 0.000 0.299 94 V C -2.089 174.005 176.094 -0.000 0.000 1.276 94 V CA -0.602 61.706 62.300 0.014 0.000 0.993 94 V CB 2.058 33.952 31.823 0.119 0.000 1.076 94 V HN 0.873 nan 8.190 nan 0.000 0.434 95 Y N 4.412 124.835 120.300 0.205 0.000 2.352 95 Y HA 0.620 5.169 4.550 -0.002 0.000 0.326 95 Y C -0.360 175.722 175.900 0.303 0.000 1.166 95 Y CA -0.282 57.943 58.100 0.208 0.000 1.182 95 Y CB 1.812 40.335 38.460 0.105 0.000 1.216 95 Y HN 0.621 nan 8.280 nan 0.000 0.474 96 F N 2.431 122.535 119.950 0.256 0.000 2.553 96 F HA 0.745 5.271 4.527 -0.002 0.000 0.335 96 F C -0.216 175.611 175.800 0.046 0.000 1.148 96 F CA -0.353 57.655 58.000 0.014 0.000 0.963 96 F CB 0.810 39.865 39.000 0.091 0.000 1.217 96 F HN 0.585 nan 8.300 nan 0.000 0.441 97 G N 3.723 112.178 108.800 -0.575 0.000 3.022 97 G HA2 0.157 4.116 3.960 -0.002 0.000 0.284 97 G HA3 0.157 4.116 3.960 -0.002 0.000 0.284 97 G C -0.081 173.871 174.900 -1.580 0.000 1.375 97 G CA -0.503 43.953 45.100 -1.072 0.000 0.902 97 G HN 0.661 nan 8.290 nan 0.000 0.538 98 E N -1.006 118.163 120.200 -1.717 0.000 2.118 98 E HA -0.162 4.187 4.350 -0.002 0.000 0.195 98 E C 2.230 178.515 176.600 -0.523 0.000 0.992 98 E CA 1.935 57.669 56.400 -1.111 0.000 0.804 98 E CB -0.032 29.275 29.700 -0.655 0.000 0.741 98 E HN 0.440 nan 8.360 nan 0.000 0.458 99 T N -0.515 113.788 114.554 -0.419 0.000 2.821 99 T HA 0.116 4.464 4.350 -0.002 0.000 0.267 99 T C 0.746 175.354 174.700 -0.154 0.000 1.046 99 T CA 0.929 62.895 62.100 -0.223 0.000 1.139 99 T CB 0.220 68.984 68.868 -0.174 0.000 0.871 99 T HN 0.468 nan 8.240 nan 0.000 0.454 100 G N -0.121 108.557 108.800 -0.204 0.000 2.398 100 G HA2 0.362 4.321 3.960 -0.002 0.000 0.251 100 G HA3 0.362 4.321 3.960 -0.002 0.000 0.251 100 G C -1.853 172.969 174.900 -0.129 0.000 1.277 100 G CA -1.103 43.932 45.100 -0.109 0.000 0.927 100 G HN 0.152 nan 8.290 nan 0.000 0.477 101 F N 0.853 120.921 119.950 0.197 0.000 2.458 101 F HA 0.860 5.386 4.527 -0.002 0.000 0.330 101 F C 0.750 176.630 175.800 0.133 0.000 1.082 101 F CA -0.161 57.959 58.000 0.198 0.000 0.995 101 F CB 2.312 41.388 39.000 0.126 0.000 1.170 101 F HN 0.614 nan 8.300 nan 0.000 0.478 102 S N 0.190 116.095 115.700 0.341 0.000 2.565 102 S HA 0.589 5.058 4.470 -0.002 0.000 0.274 102 S C 0.053 174.825 174.600 0.287 0.000 1.144 102 S CA -0.035 58.307 58.200 0.237 0.000 0.849 102 S CB 1.111 64.399 63.200 0.147 0.000 1.103 102 S HN 0.831 nan 8.310 nan 0.000 0.455 103 A N 1.716 124.666 122.820 0.216 0.000 2.067 103 A HA 0.248 4.567 4.320 -0.002 0.000 0.217 103 A C 0.732 178.500 177.584 0.306 0.000 1.156 103 A CA 0.812 52.991 52.037 0.238 0.000 0.683 103 A CB -0.330 18.752 19.000 0.136 0.000 0.808 103 A HN 0.742 nan 8.150 nan 0.000 0.455 104 E N 0.112 120.418 120.200 0.176 0.000 2.081 104 E HA 0.309 4.657 4.350 -0.002 0.000 0.281 104 E C 0.977 177.509 176.600 -0.114 0.000 0.986 104 E CA -0.545 55.884 56.400 0.048 0.000 0.796 104 E CB 0.607 30.315 29.700 0.013 0.000 1.085 104 E HN 0.376 nan 8.360 nan 0.000 0.398 105 R N 2.694 122.902 120.500 -0.486 0.000 2.134 105 R HA -0.259 4.079 4.340 -0.002 0.000 0.248 105 R C 1.948 178.001 176.300 -0.411 0.000 1.143 105 R CA 2.684 58.235 56.100 -0.916 0.000 0.957 105 R CB -0.292 29.319 30.300 -1.149 0.000 0.867 105 R HN 0.644 nan 8.270 nan 0.000 0.441 106 S N 0.046 115.585 115.700 -0.269 0.000 2.400 106 S HA -0.098 4.371 4.470 -0.002 0.000 0.232 106 S C 1.610 176.124 174.600 -0.143 0.000 1.025 106 S CA 1.013 59.103 58.200 -0.182 0.000 0.993 106 S CB -0.114 63.007 63.200 -0.131 0.000 0.808 106 S HN 0.275 nan 8.310 nan 0.000 0.478 107 K N 1.581 121.915 120.400 -0.109 0.000 2.365 107 K HA 0.289 4.608 4.320 -0.002 0.000 0.199 107 K C 2.134 178.693 176.600 -0.068 0.000 1.045 107 K CA 0.934 57.182 56.287 -0.065 0.000 0.962 107 K CB -0.677 31.813 32.500 -0.018 0.000 0.759 107 K HN 0.549 nan 8.250 nan 0.000 0.469 108 A N 1.002 123.770 122.820 -0.088 0.000 2.072 108 A HA 0.246 4.565 4.320 -0.002 0.000 0.216 108 A C 1.060 178.505 177.584 -0.232 0.000 1.156 108 A CA 1.054 53.032 52.037 -0.099 0.000 0.701 108 A CB -0.351 18.643 19.000 -0.010 0.000 0.816 108 A HN 0.359 nan 8.150 nan 0.000 0.458 109 G N -1.501 107.160 108.800 -0.231 0.000 2.750 109 G HA2 0.105 4.064 3.960 -0.002 0.000 0.228 109 G HA3 0.105 4.064 3.960 -0.002 0.000 0.228 109 G C -0.135 174.542 174.900 -0.371 0.000 1.367 109 G CA 0.200 45.130 45.100 -0.284 0.000 0.871 109 G HN 1.824 nan 8.290 nan 0.000 0.560 110 V N -3.383 116.288 119.914 -0.405 0.000 2.760 110 V HA 0.798 4.916 4.120 -0.002 0.000 0.309 110 V C 0.204 175.969 176.094 -0.549 0.000 1.077 110 V CA -1.443 60.586 62.300 -0.453 0.000 0.910 110 V CB 1.566 33.215 31.823 -0.289 0.000 1.008 110 V HN 1.018 nan 8.190 nan 0.000 0.424 111 F N 2.028 121.605 119.950 -0.621 0.000 2.450 111 F HA 0.530 5.055 4.527 -0.002 0.000 0.339 111 F C 0.945 176.369 175.800 -0.625 0.000 1.146 111 F CA 0.279 57.884 58.000 -0.659 0.000 1.267 111 F CB 0.950 39.398 39.000 -0.920 0.000 1.178 111 F HN 0.554 nan 8.300 nan 0.000 0.585 112 Q N 2.096 121.847 119.800 -0.081 0.000 2.304 112 Q HA 0.215 4.554 4.340 -0.002 0.000 0.270 112 Q C -1.746 174.362 176.000 0.180 0.000 1.035 112 Q CA -0.872 54.943 55.803 0.021 0.000 0.781 112 Q CB 2.618 31.340 28.738 -0.025 0.000 1.261 112 Q HN 0.607 nan 8.270 nan 0.000 0.444 113 Y N 1.653 122.071 120.300 0.197 0.000 2.717 113 Y HA 0.338 4.887 4.550 -0.002 0.000 0.329 113 Y C 0.920 176.903 175.900 0.139 0.000 1.017 113 Y CA -0.198 58.016 58.100 0.189 0.000 1.275 113 Y CB 0.322 38.907 38.460 0.207 0.000 1.109 113 Y HN 0.945 nan 8.280 nan 0.000 0.511 114 A N 4.744 127.568 122.820 0.007 0.000 1.882 114 A HA -0.257 4.062 4.320 -0.002 0.000 0.220 114 A C -0.224 177.495 177.584 0.225 0.000 1.253 114 A CA 2.252 54.345 52.037 0.093 0.000 0.664 114 A CB -0.682 18.347 19.000 0.049 0.000 0.838 114 A HN 0.718 nan 8.150 nan 0.000 0.460 115 Y N -2.690 117.637 120.300 0.045 0.000 2.521 115 Y HA 0.527 5.076 4.550 -0.002 0.000 0.332 115 Y C -1.153 174.801 175.900 0.091 0.000 1.121 115 Y CA -1.060 57.060 58.100 0.034 0.000 1.037 115 Y CB 1.276 39.679 38.460 -0.095 0.000 1.330 115 Y HN 0.163 nan 8.280 nan 0.000 0.452 116 I N 6.097 126.571 120.570 -0.159 0.000 2.307 116 I HA 0.221 4.390 4.170 -0.002 0.000 0.287 116 I C -0.781 175.365 176.117 0.049 0.000 1.054 116 I CA -0.375 60.966 61.300 0.068 0.000 1.218 116 I CB 0.255 38.240 38.000 -0.024 0.000 1.398 116 I HN 0.603 nan 8.210 nan 0.000 0.475 117 H N 4.216 123.480 119.070 0.323 0.000 2.580 117 H HA 0.184 4.739 4.556 -0.002 0.000 0.322 117 H C 1.111 176.546 175.328 0.179 0.000 1.082 117 H CA -0.411 55.809 56.048 0.288 0.000 1.383 117 H CB 1.122 31.018 29.762 0.224 0.000 1.450 117 H HN 0.393 nan 8.280 nan 0.000 0.505 118 R N 1.809 122.460 120.500 0.251 0.000 2.103 118 R HA -0.196 4.143 4.340 -0.002 0.000 0.242 118 R C 1.814 178.210 176.300 0.160 0.000 1.142 118 R CA 2.129 58.329 56.100 0.167 0.000 0.960 118 R CB -0.764 29.615 30.300 0.132 0.000 0.858 118 R HN 0.688 nan 8.270 nan 0.000 0.439 119 S N -0.664 115.137 115.700 0.168 0.000 2.500 119 S HA -0.090 4.379 4.470 -0.002 0.000 0.239 119 S C 1.281 175.947 174.600 0.110 0.000 0.989 119 S CA 1.284 59.554 58.200 0.115 0.000 0.951 119 S CB -0.182 63.066 63.200 0.081 0.000 0.759 119 S HN 0.588 nan 8.310 nan 0.000 0.523 120 E N 0.427 120.724 120.200 0.162 0.000 2.481 120 E HA 0.210 4.559 4.350 -0.002 0.000 0.198 120 E C -0.771 175.926 176.600 0.161 0.000 1.027 120 E CA -0.206 56.282 56.400 0.147 0.000 0.900 120 E CB 0.854 30.671 29.700 0.196 0.000 0.993 120 E HN 0.313 nan 8.360 nan 0.000 0.482 121 V N 2.860 122.874 119.914 0.166 0.000 2.415 121 V HA -0.024 4.094 4.120 -0.002 0.000 0.267 121 V C 0.151 176.374 176.094 0.214 0.000 1.042 121 V CA -0.249 62.159 62.300 0.181 0.000 1.000 121 V CB -0.335 31.574 31.823 0.143 0.000 1.015 121 V HN 0.145 nan 8.190 nan 0.000 0.478 122 F N 5.209 125.187 119.950 0.047 0.000 2.569 122 F HA 0.158 4.683 4.527 -0.002 0.000 0.395 122 F C 0.731 176.530 175.800 -0.001 0.000 1.028 122 F CA 0.426 58.429 58.000 0.004 0.000 1.158 122 F CB -0.158 38.812 39.000 -0.050 0.000 1.023 122 F HN 0.504 nan 8.300 nan 0.000 0.547 123 T N 4.736 119.568 114.554 0.465 0.000 2.881 123 T HA 0.537 4.885 4.350 -0.002 0.000 0.290 123 T C -0.184 174.627 174.700 0.185 0.000 1.000 123 T CA -0.688 61.535 62.100 0.205 0.000 0.978 123 T CB 1.602 70.548 68.868 0.130 0.000 0.997 123 T HN 0.671 nan 8.240 nan 0.000 0.443 124 T N 0.485 115.056 114.554 0.029 0.000 2.930 124 T HA 0.722 5.071 4.350 -0.002 0.000 0.290 124 T C -3.025 171.625 174.700 -0.083 0.000 1.052 124 T CA -2.570 59.515 62.100 -0.026 0.000 1.017 124 T CB 1.019 69.802 68.868 -0.142 0.000 1.137 124 T HN 0.153 nan 8.240 nan 0.000 0.511 125 P HA 0.199 nan 4.420 nan 0.000 0.264 125 P C 0.854 177.993 177.300 -0.269 0.000 1.193 125 P CA -0.128 62.852 63.100 -0.199 0.000 0.763 125 P CB 0.496 31.961 31.700 -0.392 0.000 0.810 126 E N 2.790 122.942 120.200 -0.079 0.000 2.118 126 E HA -0.174 4.175 4.350 -0.002 0.000 0.195 126 E C 1.766 178.352 176.600 -0.023 0.000 0.992 126 E CA 1.426 57.803 56.400 -0.037 0.000 0.804 126 E CB -0.359 29.366 29.700 0.042 0.000 0.741 126 E HN 0.711 nan 8.360 nan 0.000 0.458 127 W N 0.494 121.794 121.300 0.000 0.000 2.402 127 W HA 0.104 4.762 4.660 -0.002 0.000 0.286 127 W C 1.805 178.333 176.519 0.015 0.000 1.221 127 W CA 0.868 58.213 57.345 -0.000 0.000 1.257 127 W CB -0.940 28.517 29.460 -0.005 0.000 1.120 127 W HN -0.022 nan 8.180 nan 0.000 0.551 128 A N 1.943 124.223 122.820 -0.901 0.000 2.076 128 A HA -0.203 4.116 4.320 -0.002 0.000 0.220 128 A C 2.115 179.534 177.584 -0.276 0.000 1.160 128 A CA 1.914 53.469 52.037 -0.803 0.000 0.653 128 A CB -0.652 17.771 19.000 -0.962 0.000 0.801 128 A HN 0.408 nan 8.150 nan 0.000 0.455 129 K N 0.162 120.444 120.400 -0.198 0.000 2.097 129 K HA -0.109 4.210 4.320 -0.002 0.000 0.205 129 K C 0.775 177.338 176.600 -0.062 0.000 1.050 129 K CA 1.313 57.526 56.287 -0.123 0.000 0.938 129 K CB -0.037 32.398 32.500 -0.107 0.000 0.718 129 K HN 0.720 nan 8.250 nan 0.000 0.442 130 E N 0.645 120.847 120.200 0.003 0.000 2.609 130 E HA 0.262 4.611 4.350 -0.002 0.000 0.208 130 E C -0.529 176.144 176.600 0.122 0.000 1.013 130 E CA -0.297 56.133 56.400 0.051 0.000 1.093 130 E CB 0.497 30.244 29.700 0.078 0.000 1.129 130 E HN 0.081 nan 8.360 nan 0.000 0.450 131 A N 0.470 123.351 122.820 0.102 0.000 2.293 131 A HA 0.577 4.895 4.320 -0.002 0.000 0.302 131 A C -0.273 177.334 177.584 0.039 0.000 1.119 131 A CA -0.632 51.499 52.037 0.156 0.000 0.823 131 A CB 1.339 20.504 19.000 0.274 0.000 1.097 131 A HN 0.117 nan 8.150 nan 0.000 0.491 132 V N 3.813 123.760 119.914 0.055 0.000 2.409 132 V HA 0.278 4.396 4.120 -0.002 0.000 0.290 132 V C -0.585 175.478 176.094 -0.050 0.000 1.017 132 V CA -0.474 61.806 62.300 -0.033 0.000 0.841 132 V CB 1.026 32.854 31.823 0.009 0.000 1.003 132 V HN 0.672 nan 8.190 nan 0.000 0.426 133 I N 4.273 124.725 120.570 -0.196 0.000 2.499 133 I HA 0.409 4.578 4.170 -0.002 0.000 0.296 133 I C -0.568 175.494 176.117 -0.092 0.000 0.992 133 I CA -0.651 60.501 61.300 -0.246 0.000 1.297 133 I CB 0.975 38.536 38.000 -0.732 0.000 1.410 133 I HN 0.627 nan 8.210 nan 0.000 0.507 134 Y N 4.490 124.685 120.300 -0.174 0.000 2.326 134 Y HA 0.297 4.846 4.550 -0.002 0.000 0.329 134 Y C 0.076 175.877 175.900 -0.166 0.000 0.973 134 Y CA -0.592 57.434 58.100 -0.122 0.000 1.162 134 Y CB 1.353 39.748 38.460 -0.108 0.000 1.147 134 Y HN 0.623 nan 8.280 nan 0.000 0.456 135 Q N 6.533 126.166 119.800 -0.278 0.000 2.279 135 Q HA 0.500 4.839 4.340 -0.002 0.000 0.256 135 Q C -1.442 174.367 176.000 -0.320 0.000 0.937 135 Q CA -0.351 55.325 55.803 -0.212 0.000 0.933 135 Q CB 0.752 29.555 28.738 0.108 0.000 1.189 135 Q HN 0.792 nan 8.270 nan 0.000 0.417 136 I N 4.466 124.744 120.570 -0.486 0.000 2.389 136 I HA 0.239 4.407 4.170 -0.002 0.000 0.288 136 I C -0.957 174.956 176.117 -0.340 0.000 0.999 136 I CA -0.756 60.245 61.300 -0.499 0.000 1.129 136 I CB 1.219 38.743 38.000 -0.794 0.000 1.288 136 I HN 0.644 nan 8.210 nan 0.000 0.444 137 F N 9.576 129.282 119.950 -0.406 0.000 2.309 137 F HA 0.408 4.934 4.527 -0.002 0.000 0.366 137 F C -1.741 173.930 175.800 -0.216 0.000 1.104 137 F CA -2.129 55.727 58.000 -0.240 0.000 1.179 137 F CB 0.707 39.668 39.000 -0.065 0.000 1.437 137 F HN 0.322 nan 8.300 nan 0.000 0.528 138 P HA -0.306 nan 4.420 nan 0.000 0.222 138 P C 1.471 178.721 177.300 -0.083 0.000 1.159 138 P CA 1.579 64.459 63.100 -0.366 0.000 0.920 138 P CB 0.202 31.258 31.700 -1.073 0.000 0.793 139 E N -1.302 118.982 120.200 0.140 0.000 2.396 139 E HA -0.169 4.180 4.350 -0.002 0.000 0.200 139 E C 1.160 178.044 176.600 0.473 0.000 1.023 139 E CA 0.991 57.707 56.400 0.527 0.000 0.857 139 E CB -0.045 30.015 29.700 0.599 0.000 0.775 139 E HN 0.059 nan 8.360 nan 0.000 0.525 140 R N -2.060 118.657 120.500 0.362 0.000 2.549 140 R HA 0.193 4.532 4.340 -0.002 0.000 0.344 140 R C 1.147 177.539 176.300 0.154 0.000 0.979 140 R CA -0.181 55.984 56.100 0.108 0.000 1.140 140 R CB -0.239 30.058 30.300 -0.006 0.000 1.377 140 R HN 0.074 nan 8.270 nan 0.000 0.541 141 F N 0.086 120.125 119.950 0.149 0.000 2.188 141 F HA 0.434 4.960 4.527 -0.002 0.000 0.289 141 F C 0.150 176.339 175.800 0.648 0.000 1.082 141 F CA 0.643 58.766 58.000 0.205 0.000 1.282 141 F CB 0.510 39.548 39.000 0.063 0.000 1.060 141 F HN -0.059 nan 8.300 nan 0.000 0.493 142 A N 0.575 123.660 122.820 0.443 0.000 2.530 142 A HA 0.298 4.616 4.320 -0.002 0.000 0.297 142 A C -1.638 175.882 177.584 -0.105 0.000 1.059 142 A CA -0.686 51.329 52.037 -0.037 0.000 0.782 142 A CB 0.208 19.063 19.000 -0.241 0.000 1.301 142 A HN 0.155 nan 8.150 nan 0.000 0.394 143 N N 1.999 120.420 118.700 -0.465 0.000 2.602 143 N HA 0.319 5.058 4.740 -0.002 0.000 0.238 143 N C 1.090 176.480 175.510 -0.200 0.000 1.084 143 N CA 0.546 53.485 53.050 -0.185 0.000 0.952 143 N CB 1.041 39.428 38.487 -0.166 0.000 1.244 143 N HN 0.781 nan 8.380 nan 0.000 0.512 144 G N 1.248 109.985 108.800 -0.105 0.000 2.683 144 G HA2 -0.081 3.877 3.960 -0.002 0.000 0.213 144 G HA3 -0.081 3.877 3.960 -0.002 0.000 0.213 144 G C 0.041 174.904 174.900 -0.061 0.000 1.142 144 G CA 0.067 45.099 45.100 -0.112 0.000 0.793 144 G HN 0.552 nan 8.290 nan 0.000 0.534 145 D N -0.701 119.692 120.400 -0.012 0.000 2.330 145 D HA 0.236 4.875 4.640 -0.002 0.000 0.249 145 D C -1.844 174.477 176.300 0.035 0.000 1.306 145 D CA -1.834 52.172 54.000 0.010 0.000 0.956 145 D CB 2.072 42.891 40.800 0.031 0.000 1.261 145 D HN -0.038 nan 8.370 nan 0.000 0.544 146 P HA -0.105 nan 4.420 nan 0.000 0.230 146 P C 1.099 178.424 177.300 0.043 0.000 1.158 146 P CA 0.512 63.638 63.100 0.043 0.000 0.769 146 P CB 0.192 31.908 31.700 0.026 0.000 0.807 147 S N 0.793 116.512 115.700 0.032 0.000 2.481 147 S HA -0.108 4.360 4.470 -0.002 0.000 0.231 147 S C 1.448 176.068 174.600 0.034 0.000 0.996 147 S CA 0.940 59.157 58.200 0.028 0.000 0.942 147 S CB -1.251 61.961 63.200 0.021 0.000 0.768 147 S HN 0.231 nan 8.310 nan 0.000 0.520 148 N N 0.391 119.122 118.700 0.051 0.000 2.205 148 N HA 0.154 4.893 4.740 -0.002 0.000 0.201 148 N C -1.057 174.490 175.510 0.061 0.000 1.128 148 N CA -0.297 52.786 53.050 0.056 0.000 0.867 148 N CB -0.479 38.056 38.487 0.080 0.000 0.996 148 N HN 0.113 nan 8.380 nan 0.000 0.503 149 D N 2.776 123.219 120.400 0.072 0.000 2.472 149 D HA 0.082 4.721 4.640 -0.002 0.000 0.237 149 D C -1.906 174.403 176.300 0.014 0.000 1.141 149 D CA -0.596 53.456 54.000 0.086 0.000 0.875 149 D CB 0.533 41.394 40.800 0.101 0.000 1.192 149 D HN 0.295 nan 8.370 nan 0.000 0.450 150 P HA 0.207 nan 4.420 nan 0.000 0.274 150 P C -2.582 174.627 177.300 -0.153 0.000 1.237 150 P CA -1.267 61.719 63.100 -0.191 0.000 0.793 150 P CB 0.004 31.411 31.700 -0.489 0.000 0.977 151 P HA 0.049 nan 4.420 nan 0.000 0.271 151 P C 0.726 177.970 177.300 -0.094 0.000 1.216 151 P CA 0.701 63.742 63.100 -0.099 0.000 0.776 151 P CB 0.083 31.730 31.700 -0.088 0.000 0.881 152 G N 1.348 110.125 108.800 -0.037 0.000 2.136 152 G HA2 -0.203 3.755 3.960 -0.002 0.000 0.242 152 G HA3 -0.203 3.755 3.960 -0.002 0.000 0.242 152 G C 0.291 175.191 174.900 0.000 0.000 0.989 152 G CA 0.064 45.156 45.100 -0.013 0.000 0.682 152 G HN 0.672 nan 8.290 nan 0.000 0.522 153 T N 1.229 115.790 114.554 0.012 0.000 2.934 153 T HA 0.354 4.703 4.350 -0.002 0.000 0.306 153 T C 0.745 175.428 174.700 -0.029 0.000 1.042 153 T CA 0.731 62.846 62.100 0.025 0.000 1.145 153 T CB 1.013 69.940 68.868 0.099 0.000 0.982 153 T HN 0.504 nan 8.240 nan 0.000 0.544 154 E N 1.324 121.414 120.200 -0.182 0.000 2.292 154 E HA 0.205 4.554 4.350 -0.002 0.000 0.258 154 E C 0.183 176.822 176.600 0.064 0.000 1.115 154 E CA -0.842 55.468 56.400 -0.151 0.000 0.929 154 E CB 0.664 30.146 29.700 -0.363 0.000 1.161 154 E HN 0.484 nan 8.360 nan 0.000 0.453 155 Q N 1.200 121.090 119.800 0.151 0.000 2.313 155 Q HA -0.042 4.297 4.340 -0.002 0.000 0.266 155 Q C -0.996 175.235 176.000 0.385 0.000 0.989 155 Q CA 0.013 55.964 55.803 0.246 0.000 0.890 155 Q CB 0.493 29.331 28.738 0.167 0.000 1.200 155 Q HN 0.537 nan 8.270 nan 0.000 0.396 156 W N 4.572 126.008 121.300 0.227 0.000 2.290 156 W HA 0.405 5.064 4.660 -0.002 0.000 0.408 156 W C -1.327 175.242 176.519 0.083 0.000 0.966 156 W CA -0.220 57.232 57.345 0.180 0.000 1.579 156 W CB -0.224 29.326 29.460 0.151 0.000 1.662 156 W HN 0.563 nan 8.180 nan 0.000 0.341 157 A N 4.049 126.936 122.820 0.111 0.000 2.515 157 A HA 0.300 4.619 4.320 -0.002 0.000 0.296 157 A C 0.941 178.504 177.584 -0.035 0.000 1.094 157 A CA -0.682 51.406 52.037 0.084 0.000 0.718 157 A CB 1.726 20.780 19.000 0.089 0.000 1.307 157 A HN 0.503 nan 8.150 nan 0.000 0.408 158 K N 0.029 120.420 120.400 -0.016 0.000 2.211 158 K HA -0.203 4.116 4.320 -0.002 0.000 0.204 158 K C 0.599 177.156 176.600 -0.071 0.000 1.047 158 K CA 2.254 58.504 56.287 -0.062 0.000 0.935 158 K CB -0.112 32.364 32.500 -0.040 0.000 0.728 158 K HN 0.818 nan 8.250 nan 0.000 0.452 159 D N -0.368 120.009 120.400 -0.039 0.000 2.328 159 D HA 0.082 4.721 4.640 -0.002 0.000 0.226 159 D C 0.005 176.286 176.300 -0.031 0.000 1.066 159 D CA -0.173 53.807 54.000 -0.032 0.000 0.861 159 D CB 0.278 41.072 40.800 -0.009 0.000 0.912 159 D HN 0.192 nan 8.370 nan 0.000 0.521 160 A N 0.979 123.766 122.820 -0.056 0.000 2.511 160 A HA 0.386 4.704 4.320 -0.002 0.000 0.242 160 A C 0.369 177.920 177.584 -0.055 0.000 1.069 160 A CA -0.308 51.709 52.037 -0.034 0.000 0.763 160 A CB 0.320 19.233 19.000 -0.145 0.000 1.001 160 A HN 0.136 nan 8.150 nan 0.000 0.498 161 R N 2.466 122.971 120.500 0.008 0.000 2.547 161 R HA 0.293 4.631 4.340 -0.002 0.000 0.280 161 R C -2.967 173.342 176.300 0.016 0.000 1.630 161 R CA -1.700 54.390 56.100 -0.016 0.000 1.470 161 R CB 0.365 30.654 30.300 -0.018 0.000 1.178 161 R HN 0.504 nan 8.270 nan 0.000 0.591 162 P HA 0.009 nan 4.420 nan 0.000 0.264 162 P C 0.061 177.317 177.300 -0.074 0.000 1.179 162 P CA 0.358 63.484 63.100 0.044 0.000 0.763 162 P CB 0.796 32.489 31.700 -0.011 0.000 0.806 163 R N 1.341 121.786 120.500 -0.092 0.000 2.797 163 R HA 0.300 4.639 4.340 -0.002 0.000 0.251 163 R C 1.444 177.636 176.300 -0.180 0.000 1.107 163 R CA -0.841 55.182 56.100 -0.128 0.000 1.084 163 R CB 0.498 30.776 30.300 -0.036 0.000 1.205 163 R HN 0.583 nan 8.270 nan 0.000 0.515 164 H N 0.903 119.973 119.070 -0.001 0.000 2.518 164 H HA -0.102 4.453 4.556 -0.003 0.000 0.289 164 H C 0.285 175.639 175.328 0.043 0.000 1.051 164 H CA 1.618 57.704 56.048 0.063 0.000 1.280 164 H CB 0.149 29.988 29.762 0.128 0.000 1.380 164 H HN 0.563 nan 8.280 nan 0.000 0.566 165 D N -1.112 119.338 120.400 0.084 0.000 2.479 165 D HA 0.068 4.706 4.640 -0.002 0.000 0.218 165 D C 0.196 176.461 176.300 -0.059 0.000 1.177 165 D CA -0.278 53.770 54.000 0.080 0.000 0.830 165 D CB 0.049 40.959 40.800 0.182 0.000 1.014 165 D HN -0.148 nan 8.370 nan 0.000 0.503 166 S N -0.054 115.508 115.700 -0.231 0.000 2.593 166 S HA 0.499 4.967 4.470 -0.002 0.000 0.269 166 S C -0.468 173.869 174.600 -0.439 0.000 1.334 166 S CA -0.216 57.842 58.200 -0.236 0.000 1.015 166 S CB 0.424 63.496 63.200 -0.213 0.000 0.912 166 S HN 0.169 nan 8.310 nan 0.000 0.541 167 F N 0.032 119.843 119.950 -0.232 0.000 2.578 167 F HA 0.431 4.956 4.527 -0.002 0.000 0.311 167 F C -0.174 175.455 175.800 -0.285 0.000 1.094 167 F CA -0.664 57.300 58.000 -0.061 0.000 0.923 167 F CB 1.492 40.504 39.000 0.019 0.000 1.230 167 F HN 0.575 nan 8.300 nan 0.000 0.450 168 Y N -0.081 120.403 120.300 0.307 0.000 2.499 168 Y HA 0.362 4.910 4.550 -0.003 0.000 0.253 168 Y C 1.449 177.637 175.900 0.481 0.000 1.105 168 Y CA 0.140 58.409 58.100 0.282 0.000 1.240 168 Y CB 1.313 39.769 38.460 -0.007 0.000 1.289 168 Y HN 0.793 nan 8.280 nan 0.000 0.534 169 G N 0.373 109.521 108.800 0.581 0.000 2.159 169 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.227 169 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.227 169 G C 0.664 175.877 174.900 0.522 0.000 0.986 169 G CA -0.250 45.144 45.100 0.489 0.000 0.651 169 G HN 0.662 nan 8.290 nan 0.000 0.523 170 G N 0.358 109.560 108.800 0.669 0.000 2.414 170 G HA2 0.542 4.501 3.960 -0.002 0.000 0.236 170 G HA3 0.542 4.501 3.960 -0.002 0.000 0.236 170 G C 0.052 175.197 174.900 0.409 0.000 1.293 170 G CA 1.052 46.485 45.100 0.555 0.000 0.869 170 G HN 1.174 nan 8.290 nan 0.000 0.556 171 D N -0.176 120.367 120.400 0.237 0.000 2.677 171 D HA 0.183 4.822 4.640 -0.002 0.000 0.298 171 D C 1.095 177.428 176.300 0.056 0.000 1.250 171 D CA -0.910 53.194 54.000 0.173 0.000 0.888 171 D CB 0.362 41.303 40.800 0.235 0.000 1.397 171 D HN 0.178 nan 8.370 nan 0.000 0.461 172 L N -0.534 120.714 121.223 0.041 0.000 2.141 172 L HA -0.030 4.308 4.340 -0.002 0.000 0.209 172 L C 2.349 179.250 176.870 0.052 0.000 1.094 172 L CA 0.738 55.594 54.840 0.027 0.000 0.763 172 L CB -0.497 41.589 42.059 0.044 0.000 0.908 172 L HN 0.475 nan 8.230 nan 0.000 0.437 173 K N 1.056 121.487 120.400 0.052 0.000 2.097 173 K HA -0.138 4.180 4.320 -0.002 0.000 0.206 173 K C 1.947 178.547 176.600 -0.000 0.000 1.049 173 K CA 1.513 57.812 56.287 0.021 0.000 0.933 173 K CB -0.326 32.184 32.500 0.015 0.000 0.717 173 K HN 0.332 nan 8.250 nan 0.000 0.442 174 G N 0.891 109.699 108.800 0.013 0.000 2.421 174 G HA2 -0.203 3.755 3.960 -0.002 0.000 0.216 174 G HA3 -0.203 3.755 3.960 -0.002 0.000 0.216 174 G C 1.669 176.605 174.900 0.061 0.000 1.171 174 G CA 0.990 46.071 45.100 -0.032 0.000 0.775 174 G HN 0.183 nan 8.290 nan 0.000 0.543 175 V N 1.402 121.443 119.914 0.213 0.000 2.282 175 V HA -0.226 3.892 4.120 -0.002 0.000 0.249 175 V C 2.817 179.009 176.094 0.163 0.000 1.057 175 V CA 1.805 64.299 62.300 0.323 0.000 1.032 175 V CB -0.483 31.498 31.823 0.263 0.000 0.645 175 V HN 0.415 nan 8.190 nan 0.000 0.447 176 I N 0.246 120.856 120.570 0.067 0.000 2.163 176 I HA -0.270 3.899 4.170 -0.002 0.000 0.243 176 I C 2.272 178.377 176.117 -0.020 0.000 1.085 176 I CA 1.804 63.111 61.300 0.011 0.000 1.347 176 I CB -0.626 37.364 38.000 -0.017 0.000 1.044 176 I HN 0.356 nan 8.210 nan 0.000 0.408 177 D N 0.646 121.009 120.400 -0.062 0.000 2.218 177 D HA -0.122 4.516 4.640 -0.002 0.000 0.204 177 D C 1.917 178.112 176.300 -0.174 0.000 0.976 177 D CA 0.939 54.859 54.000 -0.133 0.000 0.853 177 D CB -0.200 40.478 40.800 -0.204 0.000 0.939 177 D HN 0.282 nan 8.370 nan 0.000 0.481 178 R N 0.287 120.704 120.500 -0.138 0.000 2.359 178 R HA 0.217 4.556 4.340 -0.002 0.000 0.231 178 R C 2.158 178.523 176.300 0.110 0.000 0.913 178 R CA -0.183 55.833 56.100 -0.141 0.000 1.075 178 R CB -0.154 29.975 30.300 -0.285 0.000 1.087 178 R HN 0.280 nan 8.270 nan 0.000 0.515 179 L N 0.993 122.261 121.223 0.076 0.000 2.042 179 L HA -0.138 4.201 4.340 -0.002 0.000 0.210 179 L C -0.631 176.281 176.870 0.069 0.000 1.076 179 L CA 1.702 56.586 54.840 0.072 0.000 0.749 179 L CB -1.469 40.604 42.059 0.023 0.000 0.893 179 L HN 0.050 nan 8.230 nan 0.000 0.432 180 P HA -0.242 nan 4.420 nan 0.000 0.216 180 P C 1.312 178.682 177.300 0.117 0.000 1.150 180 P CA 1.408 64.541 63.100 0.054 0.000 0.843 180 P CB -0.058 31.658 31.700 0.026 0.000 0.787 181 Y N 0.356 120.679 120.300 0.039 0.000 2.133 181 Y HA -0.168 4.380 4.550 -0.002 0.000 0.287 181 Y C 2.034 178.027 175.900 0.154 0.000 1.134 181 Y CA 1.501 59.677 58.100 0.127 0.000 1.133 181 Y CB -1.082 37.486 38.460 0.181 0.000 0.987 181 Y HN -0.231 nan 8.280 nan 0.000 0.502 182 L N 0.375 121.682 121.223 0.140 0.000 2.042 182 L HA -0.234 4.105 4.340 -0.002 0.000 0.210 182 L C 2.602 179.406 176.870 -0.110 0.000 1.076 182 L CA 2.029 56.810 54.840 -0.098 0.000 0.749 182 L CB -0.687 41.317 42.059 -0.093 0.000 0.893 182 L HN 0.354 nan 8.230 nan 0.000 0.432 183 E N 0.436 120.612 120.200 -0.039 0.000 2.077 183 E HA -0.293 4.055 4.350 -0.002 0.000 0.193 183 E C 2.105 178.678 176.600 -0.044 0.000 0.989 183 E CA 1.412 57.788 56.400 -0.040 0.000 0.800 183 E CB 0.046 29.735 29.700 -0.018 0.000 0.746 183 E HN 0.516 nan 8.360 nan 0.000 0.452 184 E N 0.224 120.409 120.200 -0.024 0.000 2.106 184 E HA -0.206 4.143 4.350 -0.002 0.000 0.192 184 E C 2.207 178.758 176.600 -0.080 0.000 0.984 184 E CA 0.804 57.201 56.400 -0.004 0.000 0.806 184 E CB -0.103 29.651 29.700 0.089 0.000 0.750 184 E HN 0.274 nan 8.360 nan 0.000 0.458 185 L N 0.088 121.215 121.223 -0.161 0.000 2.131 185 L HA 0.010 4.349 4.340 -0.002 0.000 0.210 185 L C 1.603 178.370 176.870 -0.172 0.000 1.092 185 L CA 2.398 57.055 54.840 -0.305 0.000 0.759 185 L CB -0.207 41.666 42.059 -0.309 0.000 0.903 185 L HN 0.401 nan 8.230 nan 0.000 0.435 186 G N -2.145 106.603 108.800 -0.087 0.000 2.168 186 G HA2 -0.189 3.769 3.960 -0.002 0.000 0.197 186 G HA3 -0.189 3.769 3.960 -0.002 0.000 0.197 186 G C 0.225 175.164 174.900 0.064 0.000 0.997 186 G CA 0.005 45.111 45.100 0.011 0.000 0.658 186 G HN 0.260 nan 8.290 nan 0.000 0.513 187 V N 1.598 121.506 119.914 -0.010 0.000 2.763 187 V HA 0.404 4.523 4.120 -0.002 0.000 0.306 187 V C 1.799 177.896 176.094 0.005 0.000 1.059 187 V CA 1.647 63.951 62.300 0.007 0.000 1.138 187 V CB 1.382 33.169 31.823 -0.061 0.000 0.940 187 V HN 0.830 nan 8.190 nan 0.000 0.489 188 T N 0.215 114.789 114.554 0.034 0.000 3.003 188 T HA 0.636 4.985 4.350 -0.002 0.000 0.261 188 T C 0.111 174.819 174.700 0.012 0.000 1.003 188 T CA 0.420 62.528 62.100 0.013 0.000 0.917 188 T CB 0.485 69.383 68.868 0.050 0.000 1.084 188 T HN 1.098 nan 8.240 nan 0.000 0.522 189 A N 1.028 123.867 122.820 0.031 0.000 2.589 189 A HA 0.727 5.046 4.320 -0.002 0.000 0.296 189 A C -1.749 175.845 177.584 0.017 0.000 1.062 189 A CA -0.913 51.151 52.037 0.046 0.000 0.686 189 A CB 1.137 20.236 19.000 0.166 0.000 1.282 189 A HN 0.357 nan 8.150 nan 0.000 0.404 190 L N 2.188 123.416 121.223 0.007 0.000 2.333 190 L HA 0.489 4.828 4.340 -0.002 0.000 0.280 190 L C -1.069 175.738 176.870 -0.106 0.000 1.004 190 L CA -0.797 53.950 54.840 -0.154 0.000 0.820 190 L CB 1.777 43.622 42.059 -0.357 0.000 1.247 190 L HN 0.794 nan 8.230 nan 0.000 0.416 191 Y N 4.088 124.243 120.300 -0.243 0.000 2.342 191 Y HA 0.560 5.109 4.550 -0.002 0.000 0.338 191 Y C -1.364 174.402 175.900 -0.223 0.000 0.965 191 Y CA -1.514 56.564 58.100 -0.037 0.000 1.159 191 Y CB 0.698 39.251 38.460 0.154 0.000 1.157 191 Y HN 0.266 nan 8.280 nan 0.000 0.486 192 F N 3.932 123.757 119.950 -0.208 0.000 2.421 192 F HA 0.447 4.973 4.527 -0.002 0.000 0.337 192 F C 0.940 176.417 175.800 -0.538 0.000 1.105 192 F CA -0.604 57.130 58.000 -0.442 0.000 1.049 192 F CB 1.555 40.399 39.000 -0.260 0.000 1.139 192 F HN 0.580 nan 8.300 nan 0.000 0.479 193 T N 0.325 114.614 114.554 -0.441 0.000 2.754 193 T HA 0.316 4.665 4.350 -0.002 0.000 0.286 193 T C -2.653 171.816 174.700 -0.385 0.000 0.997 193 T CA -2.006 59.873 62.100 -0.369 0.000 0.982 193 T CB 0.342 68.924 68.868 -0.477 0.000 1.027 193 T HN 0.195 nan 8.240 nan 0.000 0.529 194 P HA 0.045 nan 4.420 nan 0.000 0.261 194 P C 0.392 177.455 177.300 -0.395 0.000 1.165 194 P CA 0.396 63.147 63.100 -0.583 0.000 0.759 194 P CB -0.036 31.244 31.700 -0.700 0.000 0.772 195 I N -1.326 118.929 120.570 -0.526 0.000 4.338 195 I HA 0.308 4.476 4.170 -0.002 0.000 0.329 195 I C -0.056 176.065 176.117 0.006 0.000 1.378 195 I CA -0.267 60.956 61.300 -0.129 0.000 1.170 195 I CB -0.018 37.798 38.000 -0.307 0.000 1.206 195 I HN 0.031 nan 8.210 nan 0.000 0.432 196 F N 2.631 122.492 119.950 -0.147 0.000 2.370 196 F HA 0.659 5.184 4.527 -0.002 0.000 0.324 196 F C 1.423 177.167 175.800 -0.093 0.000 1.116 196 F CA -1.251 56.685 58.000 -0.106 0.000 1.123 196 F CB 0.904 39.846 39.000 -0.097 0.000 1.238 196 F HN -0.010 nan 8.300 nan 0.000 0.536 197 A N 2.354 125.277 122.820 0.171 0.000 2.583 197 A HA 0.250 4.568 4.320 -0.002 0.000 0.249 197 A C 0.188 177.777 177.584 0.009 0.000 1.035 197 A CA 0.707 52.778 52.037 0.056 0.000 0.777 197 A CB -0.356 18.696 19.000 0.086 0.000 0.942 197 A HN 0.646 nan 8.150 nan 0.000 0.516 198 S N 3.281 118.950 115.700 -0.052 0.000 2.556 198 S HA 0.616 5.084 4.470 -0.002 0.000 0.280 198 S C -2.324 172.239 174.600 -0.062 0.000 1.141 198 S CA -0.315 57.852 58.200 -0.055 0.000 0.883 198 S CB 1.654 64.793 63.200 -0.100 0.000 1.103 198 S HN 0.426 nan 8.310 nan 0.000 0.453 199 P HA 0.038 nan 4.420 nan 0.000 0.225 199 P C 0.701 178.071 177.300 0.117 0.000 1.156 199 P CA 0.510 63.627 63.100 0.027 0.000 0.787 199 P CB -0.156 31.573 31.700 0.048 0.000 0.802 200 S N 0.273 115.979 115.700 0.010 0.000 2.655 200 S HA 0.076 4.544 4.470 -0.002 0.000 0.265 200 S C 1.598 176.162 174.600 -0.061 0.000 1.240 200 S CA -0.407 57.767 58.200 -0.043 0.000 0.986 200 S CB -0.225 62.653 63.200 -0.536 0.000 0.985 200 S HN 0.299 nan 8.310 nan 0.000 0.562 201 H N 0.469 119.385 119.070 -0.257 0.000 2.482 201 H HA -0.025 4.530 4.556 -0.002 0.000 0.286 201 H C 1.695 177.030 175.328 0.013 0.000 1.017 201 H CA 1.553 57.448 56.048 -0.254 0.000 1.322 201 H CB -0.721 28.735 29.762 -0.509 0.000 1.426 201 H HN 0.964 nan 8.280 nan 0.000 0.546 202 H N 1.120 119.862 119.070 -0.546 0.000 2.486 202 H HA 0.175 4.730 4.556 -0.002 0.000 0.287 202 H C 0.236 175.411 175.328 -0.254 0.000 1.010 202 H CA 0.410 56.305 56.048 -0.255 0.000 1.324 202 H CB 0.159 29.936 29.762 0.024 0.000 1.446 202 H HN 0.111 nan 8.280 nan 0.000 0.537 203 K N -0.173 119.936 120.400 -0.486 0.000 3.192 203 K HA -0.219 4.099 4.320 -0.002 0.000 0.278 203 K C -0.500 176.004 176.600 -0.160 0.000 1.164 203 K CA 0.693 56.807 56.287 -0.289 0.000 0.816 203 K CB -2.117 30.223 32.500 -0.266 0.000 1.256 203 K HN 0.352 nan 8.250 nan 0.000 0.497 204 Y N 1.266 121.733 120.300 0.277 0.000 2.490 204 Y HA -0.021 4.528 4.550 -0.002 0.000 0.281 204 Y C 0.954 176.968 175.900 0.189 0.000 1.174 204 Y CA 0.489 58.718 58.100 0.214 0.000 1.295 204 Y CB 0.386 38.967 38.460 0.202 0.000 1.062 204 Y HN 0.196 nan 8.280 nan 0.000 0.522 205 D N -0.303 120.250 120.400 0.255 0.000 2.505 205 D HA 0.089 4.728 4.640 -0.002 0.000 0.242 205 D C -0.439 175.902 176.300 0.068 0.000 1.136 205 D CA -0.337 53.777 54.000 0.190 0.000 0.954 205 D CB 0.224 41.138 40.800 0.190 0.000 1.002 205 D HN -0.107 nan 8.370 nan 0.000 0.512 206 T N 0.975 115.525 114.554 -0.006 0.000 2.817 206 T HA 0.344 4.693 4.350 -0.002 0.000 0.295 206 T C 1.327 176.015 174.700 -0.020 0.000 0.958 206 T CA -0.165 61.836 62.100 -0.165 0.000 1.157 206 T CB 1.536 69.992 68.868 -0.687 0.000 0.898 206 T HN 0.505 nan 8.240 nan 0.000 0.536 207 A N 2.780 125.629 122.820 0.048 0.000 1.956 207 A HA 0.234 4.552 4.320 -0.002 0.000 0.212 207 A C 0.864 178.616 177.584 0.279 0.000 1.188 207 A CA 0.266 52.409 52.037 0.176 0.000 0.675 207 A CB 0.293 19.364 19.000 0.120 0.000 0.845 207 A HN 0.694 nan 8.150 nan 0.000 0.455 208 D N -2.206 118.312 120.400 0.198 0.000 2.478 208 D HA 0.355 4.993 4.640 -0.002 0.000 0.240 208 D C -0.475 175.975 176.300 0.250 0.000 1.364 208 D CA -0.555 53.628 54.000 0.304 0.000 0.987 208 D CB 0.371 41.303 40.800 0.220 0.000 1.328 208 D HN 0.128 nan 8.370 nan 0.000 0.584 209 Y N 2.015 122.562 120.300 0.412 0.000 2.421 209 Y HA 0.008 4.557 4.550 -0.002 0.000 0.292 209 Y C 1.699 177.637 175.900 0.063 0.000 1.136 209 Y CA 0.514 58.801 58.100 0.311 0.000 1.255 209 Y CB 0.353 39.099 38.460 0.476 0.000 0.991 209 Y HN 0.419 nan 8.280 nan 0.000 0.552 210 L N -0.858 120.486 121.223 0.201 0.000 2.700 210 L HA 0.402 4.741 4.340 -0.002 0.000 0.234 210 L C 0.367 177.241 176.870 0.006 0.000 1.156 210 L CA 0.014 54.795 54.840 -0.098 0.000 0.946 210 L CB -1.280 40.528 42.059 -0.419 0.000 1.216 210 L HN 0.015 nan 8.230 nan 0.000 0.493 211 A N 0.140 123.070 122.820 0.184 0.000 2.398 211 A HA 0.611 4.929 4.320 -0.002 0.000 0.301 211 A C -0.115 177.654 177.584 0.308 0.000 1.041 211 A CA -0.477 51.700 52.037 0.232 0.000 0.711 211 A CB 1.728 20.809 19.000 0.135 0.000 1.240 211 A HN -0.051 nan 8.150 nan 0.000 0.420 212 I N 2.206 122.990 120.570 0.357 0.000 2.692 212 I HA -0.001 4.168 4.170 -0.002 0.000 0.284 212 I C 0.761 177.000 176.117 0.203 0.000 1.159 212 I CA 0.291 61.767 61.300 0.294 0.000 1.423 212 I CB 0.432 38.592 38.000 0.268 0.000 1.380 212 I HN 0.715 nan 8.210 nan 0.000 0.580 213 D N 8.221 128.715 120.400 0.156 0.000 2.458 213 D HA 0.026 4.664 4.640 -0.002 0.000 0.243 213 D C -1.671 174.637 176.300 0.015 0.000 1.146 213 D CA -1.214 52.784 54.000 -0.003 0.000 0.877 213 D CB 1.792 42.426 40.800 -0.277 0.000 1.176 213 D HN 0.223 nan 8.370 nan 0.000 0.461 214 P HA -0.209 nan 4.420 nan 0.000 0.216 214 P C 1.255 178.571 177.300 0.027 0.000 1.154 214 P CA 1.640 64.755 63.100 0.025 0.000 0.865 214 P CB -0.006 31.696 31.700 0.003 0.000 0.789 215 Q N -2.360 117.409 119.800 -0.052 0.000 2.369 215 Q HA -0.092 4.246 4.340 -0.002 0.000 0.206 215 Q C 1.185 177.300 176.000 0.193 0.000 0.963 215 Q CA 1.115 56.919 55.803 0.002 0.000 0.894 215 Q CB -0.636 28.052 28.738 -0.082 0.000 0.965 215 Q HN 0.179 nan 8.270 nan 0.000 0.475 216 F N 0.446 120.441 119.950 0.075 0.000 2.582 216 F HA 0.423 4.948 4.527 -0.002 0.000 0.290 216 F C 1.472 177.316 175.800 0.075 0.000 1.115 216 F CA 0.493 58.537 58.000 0.072 0.000 1.445 216 F CB 0.592 39.613 39.000 0.035 0.000 1.126 216 F HN 0.303 nan 8.300 nan 0.000 0.574 217 G N -0.271 108.685 108.800 0.261 0.000 2.366 217 G HA2 0.260 4.218 3.960 -0.002 0.000 0.190 217 G HA3 0.260 4.218 3.960 -0.002 0.000 0.190 217 G C -1.935 173.068 174.900 0.172 0.000 1.299 217 G CA -0.175 45.037 45.100 0.187 0.000 1.056 217 G HN 0.172 nan 8.290 nan 0.000 0.468 218 D N -1.413 119.093 120.400 0.177 0.000 2.664 218 D HA 0.594 5.233 4.640 -0.002 0.000 0.292 218 D C 1.060 177.501 176.300 0.235 0.000 1.214 218 D CA -0.505 53.603 54.000 0.181 0.000 0.932 218 D CB 0.901 41.780 40.800 0.132 0.000 1.420 218 D HN 0.797 nan 8.370 nan 0.000 0.471 219 L N 0.108 121.476 121.223 0.241 0.000 2.042 219 L HA 0.064 4.403 4.340 -0.002 0.000 0.210 219 L C -1.083 175.931 176.870 0.240 0.000 1.076 219 L CA 2.057 57.074 54.840 0.295 0.000 0.749 219 L CB -1.545 40.657 42.059 0.237 0.000 0.893 219 L HN 0.374 nan 8.230 nan 0.000 0.432 220 P HA -0.115 nan 4.420 nan 0.000 0.216 220 P C 1.542 178.896 177.300 0.090 0.000 1.150 220 P CA 1.803 64.963 63.100 0.099 0.000 0.837 220 P CB -0.099 31.643 31.700 0.071 0.000 0.786 221 T N -1.236 113.389 114.554 0.118 0.000 2.857 221 T HA -0.121 4.228 4.350 -0.002 0.000 0.266 221 T C 1.424 176.185 174.700 0.101 0.000 1.048 221 T CA 0.834 62.990 62.100 0.094 0.000 1.139 221 T CB -0.910 68.023 68.868 0.109 0.000 0.874 221 T HN 0.021 nan 8.240 nan 0.000 0.455 222 F N 2.419 122.391 119.950 0.036 0.000 2.102 222 F HA -0.028 4.497 4.527 -0.002 0.000 0.298 222 F C 2.352 178.142 175.800 -0.017 0.000 1.105 222 F CA 1.153 59.159 58.000 0.010 0.000 1.239 222 F CB -0.243 38.826 39.000 0.115 0.000 0.991 222 F HN -0.079 nan 8.300 nan 0.000 0.474 223 R N -0.222 120.250 120.500 -0.047 0.000 2.105 223 R HA -0.187 4.151 4.340 -0.002 0.000 0.239 223 R C 2.438 178.611 176.300 -0.212 0.000 1.135 223 R CA 1.666 57.666 56.100 -0.166 0.000 0.967 223 R CB -0.456 29.829 30.300 -0.025 0.000 0.861 223 R HN 0.271 nan 8.270 nan 0.000 0.442 224 R N 0.677 121.098 120.500 -0.131 0.000 2.092 224 R HA -0.121 4.217 4.340 -0.002 0.000 0.231 224 R C 2.199 178.395 176.300 -0.172 0.000 1.119 224 R CA 1.011 57.041 56.100 -0.117 0.000 0.970 224 R CB -0.234 30.031 30.300 -0.058 0.000 0.864 224 R HN 0.116 nan 8.270 nan 0.000 0.440 225 L N 0.388 121.479 121.223 -0.220 0.000 2.017 225 L HA -0.127 4.212 4.340 -0.002 0.000 0.208 225 L C 1.964 178.624 176.870 -0.350 0.000 1.073 225 L CA 1.643 56.339 54.840 -0.241 0.000 0.745 225 L CB -0.582 41.326 42.059 -0.252 0.000 0.894 225 L HN 0.005 nan 8.230 nan 0.000 0.432 226 V N 0.195 119.773 119.914 -0.560 0.000 2.332 226 V HA -0.311 3.808 4.120 -0.002 0.000 0.248 226 V C 2.346 178.059 176.094 -0.635 0.000 1.055 226 V CA 2.071 63.955 62.300 -0.693 0.000 1.038 226 V CB -0.855 30.519 31.823 -0.748 0.000 0.651 226 V HN 0.471 nan 8.190 nan 0.000 0.450 227 D N -0.527 119.654 120.400 -0.364 0.000 2.097 227 D HA -0.116 4.523 4.640 -0.002 0.000 0.197 227 D C 2.317 178.540 176.300 -0.128 0.000 0.984 227 D CA 0.941 54.826 54.000 -0.193 0.000 0.826 227 D CB -0.223 40.505 40.800 -0.119 0.000 0.973 227 D HN 0.374 nan 8.370 nan 0.000 0.460 228 E N 0.648 120.768 120.200 -0.134 0.000 2.106 228 E HA -0.080 4.269 4.350 -0.002 0.000 0.192 228 E C 2.020 178.578 176.600 -0.070 0.000 0.984 228 E CA 0.737 57.087 56.400 -0.083 0.000 0.806 228 E CB -0.236 29.419 29.700 -0.074 0.000 0.750 228 E HN 0.217 nan 8.360 nan 0.000 0.458 229 A N 0.668 123.422 122.820 -0.110 0.000 1.872 229 A HA -0.169 4.150 4.320 -0.002 0.000 0.214 229 A C 1.934 179.521 177.584 0.004 0.000 1.187 229 A CA 1.449 53.447 52.037 -0.066 0.000 0.614 229 A CB -0.888 18.055 19.000 -0.093 0.000 0.826 229 A HN 0.339 nan 8.150 nan 0.000 0.442 230 H N -0.152 118.857 119.070 -0.101 0.000 2.319 230 H HA -0.154 4.400 4.556 -0.002 0.000 0.299 230 H C 2.313 177.583 175.328 -0.097 0.000 1.092 230 H CA 1.394 57.374 56.048 -0.113 0.000 1.302 230 H CB -0.038 29.652 29.762 -0.119 0.000 1.373 230 H HN 0.598 nan 8.280 nan 0.000 0.497 231 R N 1.292 121.823 120.500 0.051 0.000 2.285 231 R HA -0.032 4.307 4.340 -0.002 0.000 0.213 231 R C 1.259 177.547 176.300 -0.019 0.000 1.068 231 R CA 0.934 57.034 56.100 -0.001 0.000 1.004 231 R CB -0.052 30.241 30.300 -0.011 0.000 0.873 231 R HN 0.257 nan 8.270 nan 0.000 0.467 232 R N 0.382 120.872 120.500 -0.016 0.000 2.427 232 R HA 0.134 4.472 4.340 -0.002 0.000 0.262 232 R C 0.318 176.594 176.300 -0.041 0.000 0.943 232 R CA 0.421 56.504 56.100 -0.028 0.000 1.081 232 R CB 0.855 31.141 30.300 -0.024 0.000 1.166 232 R HN 0.527 nan 8.270 nan 0.000 0.534 233 G N 1.672 110.445 108.800 -0.045 0.000 2.160 233 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.251 233 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.251 233 G C 0.045 174.902 174.900 -0.073 0.000 1.008 233 G CA -0.033 45.022 45.100 -0.076 0.000 0.724 233 G HN 0.272 nan 8.290 nan 0.000 0.514 234 I N 0.178 120.731 120.570 -0.030 0.000 2.406 234 I HA 0.379 4.548 4.170 -0.002 0.000 0.290 234 I C 0.547 176.688 176.117 0.039 0.000 0.999 234 I CA -0.840 60.448 61.300 -0.019 0.000 1.124 234 I CB 1.600 39.591 38.000 -0.016 0.000 1.289 234 I HN -0.057 nan 8.210 nan 0.000 0.441 235 K N 5.490 125.866 120.400 -0.040 0.000 2.098 235 K HA 0.598 4.917 4.320 -0.002 0.000 0.244 235 K C -0.759 175.883 176.600 0.070 0.000 1.014 235 K CA -0.753 55.513 56.287 -0.036 0.000 0.917 235 K CB 1.461 33.722 32.500 -0.399 0.000 1.072 235 K HN 0.359 nan 8.250 nan 0.000 0.477 236 I N 2.877 123.519 120.570 0.121 0.000 2.389 236 I HA 0.309 4.478 4.170 -0.002 0.000 0.288 236 I C -0.609 175.638 176.117 0.217 0.000 0.999 236 I CA -0.632 60.787 61.300 0.199 0.000 1.129 236 I CB 1.292 39.352 38.000 0.100 0.000 1.288 236 I HN 0.409 nan 8.210 nan 0.000 0.444 237 I N 6.988 127.756 120.570 0.330 0.000 2.418 237 I HA 0.448 4.616 4.170 -0.002 0.000 0.287 237 I C -0.020 176.319 176.117 0.369 0.000 1.008 237 I CA -0.511 60.979 61.300 0.318 0.000 1.104 237 I CB 1.871 40.160 38.000 0.482 0.000 1.264 237 I HN 0.298 nan 8.210 nan 0.000 0.438 238 L N 4.305 125.606 121.223 0.131 0.000 2.344 238 L HA 0.455 4.793 4.340 -0.002 0.000 0.272 238 L C 0.190 177.215 176.870 0.258 0.000 1.035 238 L CA -0.804 54.100 54.840 0.107 0.000 0.807 238 L CB 1.608 43.558 42.059 -0.181 0.000 1.237 238 L HN 0.440 nan 8.230 nan 0.000 0.442 239 D N 1.771 122.278 120.400 0.179 0.000 2.316 239 D HA 0.344 4.982 4.640 -0.002 0.000 0.245 239 D C -0.505 175.842 176.300 0.078 0.000 1.171 239 D CA -0.046 54.066 54.000 0.188 0.000 0.856 239 D CB 1.638 42.514 40.800 0.127 0.000 1.090 239 D HN 0.544 nan 8.370 nan 0.000 0.476 240 A N 3.895 126.746 122.820 0.053 0.000 2.252 240 A HA 0.384 4.702 4.320 -0.002 0.000 0.309 240 A C -0.053 177.271 177.584 -0.434 0.000 1.285 240 A CA -0.633 51.174 52.037 -0.383 0.000 0.900 240 A CB 0.669 19.078 19.000 -0.985 0.000 1.157 240 A HN 0.382 nan 8.150 nan 0.000 0.536 241 V N 4.520 124.333 119.914 -0.169 0.000 2.154 241 V HA 0.143 4.262 4.120 -0.002 0.000 0.265 241 V C -0.134 176.077 176.094 0.194 0.000 1.293 241 V CA 0.046 62.352 62.300 0.010 0.000 1.205 241 V CB -1.023 30.865 31.823 0.109 0.000 1.306 241 V HN 0.828 nan 8.190 nan 0.000 0.479 242 F N 0.682 120.596 119.950 -0.059 0.000 2.727 242 F HA 0.166 4.692 4.527 -0.002 0.000 0.302 242 F C 1.984 177.609 175.800 -0.293 0.000 1.097 242 F CA -0.196 57.680 58.000 -0.207 0.000 1.330 242 F CB -0.596 38.217 39.000 -0.311 0.000 1.084 242 F HN 0.452 nan 8.300 nan 0.000 0.578 243 N N 0.231 118.883 118.700 -0.079 0.000 2.354 243 N HA -0.102 4.637 4.740 -0.002 0.000 0.179 243 N C -0.360 175.189 175.510 0.065 0.000 1.021 243 N CA 0.688 53.716 53.050 -0.036 0.000 0.887 243 N CB 0.135 38.679 38.487 0.095 0.000 0.974 243 N HN 0.401 nan 8.380 nan 0.000 0.437 244 H N -2.635 116.520 119.070 0.142 0.000 3.042 244 H HA 0.709 5.263 4.556 -0.002 0.000 0.346 244 H C -1.253 174.180 175.328 0.175 0.000 1.294 244 H CA -0.848 55.297 56.048 0.162 0.000 1.141 244 H CB 1.117 30.987 29.762 0.180 0.000 1.872 244 H HN 0.039 nan 8.280 nan 0.000 0.541 245 A N 0.899 123.886 122.820 0.279 0.000 2.303 245 A HA 0.846 5.164 4.320 -0.002 0.000 0.309 245 A C 0.486 178.182 177.584 0.186 0.000 1.132 245 A CA -0.516 51.630 52.037 0.181 0.000 0.919 245 A CB 0.555 19.554 19.000 -0.001 0.000 1.348 245 A HN 1.087 nan 8.150 nan 0.000 0.492 246 G N -0.974 107.913 108.800 0.145 0.000 2.477 246 G HA2 0.423 4.381 3.960 -0.002 0.000 0.304 246 G HA3 0.423 4.381 3.960 -0.002 0.000 0.304 246 G C -0.004 174.951 174.900 0.091 0.000 1.175 246 G CA 0.320 45.496 45.100 0.126 0.000 0.907 246 G HN 0.724 nan 8.290 nan 0.000 0.509 247 D N -0.973 119.459 120.400 0.053 0.000 2.378 247 D HA -0.096 4.543 4.640 -0.002 0.000 0.227 247 D C 1.405 177.869 176.300 0.272 0.000 1.012 247 D CA 0.635 54.699 54.000 0.107 0.000 0.905 247 D CB 0.207 41.107 40.800 0.167 0.000 0.895 247 D HN 0.516 nan 8.370 nan 0.000 0.532 248 Q N -1.023 118.909 119.800 0.221 0.000 2.282 248 Q HA 0.121 4.460 4.340 -0.002 0.000 0.206 248 Q C -0.142 176.012 176.000 0.257 0.000 0.878 248 Q CA -0.623 55.299 55.803 0.199 0.000 0.944 248 Q CB 0.291 29.116 28.738 0.146 0.000 1.100 248 Q HN 0.232 nan 8.270 nan 0.000 0.509 249 F N 1.718 121.757 119.950 0.148 0.000 2.608 249 F HA -0.116 4.410 4.527 -0.002 0.000 0.380 249 F C 0.990 176.839 175.800 0.081 0.000 1.083 249 F CA -0.898 57.203 58.000 0.169 0.000 1.266 249 F CB 0.345 39.475 39.000 0.217 0.000 1.076 249 F HN 0.098 nan 8.300 nan 0.000 0.574 250 F N 4.665 124.361 119.950 -0.424 0.000 2.091 250 F HA -0.153 4.373 4.527 -0.002 0.000 0.299 250 F C 1.855 177.234 175.800 -0.701 0.000 1.103 250 F CA 1.624 59.325 58.000 -0.499 0.000 1.228 250 F CB -1.480 37.246 39.000 -0.457 0.000 0.984 250 F HN 0.424 nan 8.300 nan 0.000 0.477 251 A N 0.096 121.387 122.820 -2.547 0.000 1.940 251 A HA -0.160 4.158 4.320 -0.002 0.000 0.219 251 A C 2.179 179.433 177.584 -0.550 0.000 1.176 251 A CA 1.683 52.583 52.037 -1.894 0.000 0.631 251 A CB -1.583 16.240 19.000 -1.962 0.000 0.814 251 A HN 0.566 nan 8.150 nan 0.000 0.446 252 F N 0.342 120.055 119.950 -0.396 0.000 2.206 252 F HA -0.025 4.500 4.527 -0.002 0.000 0.298 252 F C 2.386 177.982 175.800 -0.340 0.000 1.090 252 F CA 1.307 59.034 58.000 -0.455 0.000 1.323 252 F CB -0.206 38.529 39.000 -0.442 0.000 1.028 252 F HN 0.100 nan 8.300 nan 0.000 0.492 253 R N 0.007 120.374 120.500 -0.222 0.000 2.096 253 R HA -0.193 4.145 4.340 -0.002 0.000 0.235 253 R C 2.138 178.286 176.300 -0.254 0.000 1.127 253 R CA 1.538 57.510 56.100 -0.213 0.000 0.968 253 R CB -0.810 29.443 30.300 -0.079 0.000 0.861 253 R HN 0.361 nan 8.270 nan 0.000 0.440 254 D N 0.412 120.663 120.400 -0.248 0.000 2.104 254 D HA -0.132 4.507 4.640 -0.002 0.000 0.194 254 D C 1.778 177.966 176.300 -0.187 0.000 0.994 254 D CA 1.253 55.151 54.000 -0.170 0.000 0.830 254 D CB 0.233 40.959 40.800 -0.124 0.000 0.959 254 D HN 0.002 nan 8.370 nan 0.000 0.452 255 V N 1.269 121.026 119.914 -0.263 0.000 2.407 255 V HA -0.207 3.912 4.120 -0.002 0.000 0.248 255 V C 2.770 178.666 176.094 -0.330 0.000 1.055 255 V CA 0.890 63.037 62.300 -0.254 0.000 1.049 255 V CB -0.406 31.245 31.823 -0.286 0.000 0.662 255 V HN 0.257 nan 8.190 nan 0.000 0.455 256 L N -0.791 120.131 121.223 -0.501 0.000 2.083 256 L HA -0.238 4.101 4.340 -0.002 0.000 0.209 256 L C 2.600 179.347 176.870 -0.205 0.000 1.083 256 L CA 1.617 56.220 54.840 -0.395 0.000 0.752 256 L CB -0.257 41.550 42.059 -0.420 0.000 0.899 256 L HN 0.369 nan 8.230 nan 0.000 0.433 257 Q N -0.677 119.014 119.800 -0.182 0.000 2.134 257 Q HA -0.084 4.255 4.340 -0.002 0.000 0.195 257 Q C 2.010 177.940 176.000 -0.117 0.000 0.958 257 Q CA 1.076 56.807 55.803 -0.121 0.000 0.840 257 Q CB 0.247 28.926 28.738 -0.098 0.000 0.918 257 Q HN 0.294 nan 8.270 nan 0.000 0.467 258 K N -0.625 119.695 120.400 -0.133 0.000 2.356 258 K HA 0.181 4.500 4.320 -0.002 0.000 0.195 258 K C 0.965 177.432 176.600 -0.222 0.000 1.037 258 K CA 0.439 56.639 56.287 -0.144 0.000 1.014 258 K CB 0.531 32.960 32.500 -0.118 0.000 0.815 258 K HN 0.286 nan 8.250 nan 0.000 0.507 259 G N 2.433 111.086 108.800 -0.246 0.000 2.622 259 G HA2 -0.464 3.495 3.960 -0.002 0.000 0.307 259 G HA3 -0.464 3.495 3.960 -0.002 0.000 0.307 259 G C 0.791 175.193 174.900 -0.829 0.000 1.226 259 G CA 0.707 45.530 45.100 -0.462 0.000 0.997 259 G HN 0.427 nan 8.290 nan 0.000 0.551 260 E N 0.046 119.427 120.200 -1.365 0.000 2.267 260 E HA -0.144 4.205 4.350 -0.002 0.000 0.197 260 E C 2.134 178.491 176.600 -0.406 0.000 0.998 260 E CA 1.555 57.350 56.400 -1.008 0.000 0.830 260 E CB -0.102 29.151 29.700 -0.745 0.000 0.751 260 E HN 0.470 nan 8.360 nan 0.000 0.491 261 Q N 0.082 119.686 119.800 -0.327 0.000 2.360 261 Q HA 0.094 4.433 4.340 -0.002 0.000 0.202 261 Q C 0.541 176.446 176.000 -0.157 0.000 0.915 261 Q CA 0.121 55.809 55.803 -0.192 0.000 0.943 261 Q CB 0.611 29.255 28.738 -0.156 0.000 1.064 261 Q HN 0.002 nan 8.270 nan 0.000 0.511 262 S N 0.924 116.522 115.700 -0.169 0.000 2.549 262 S HA 0.137 4.605 4.470 -0.002 0.000 0.279 262 S C 1.007 175.533 174.600 -0.123 0.000 1.321 262 S CA -0.372 57.765 58.200 -0.106 0.000 1.054 262 S CB 0.967 64.128 63.200 -0.065 0.000 0.899 262 S HN 0.097 nan 8.310 nan 0.000 0.497 263 R N 3.320 123.694 120.500 -0.211 0.000 2.316 263 R HA 0.115 4.454 4.340 -0.002 0.000 0.202 263 R C 0.148 176.081 176.300 -0.612 0.000 1.029 263 R CA 1.414 57.273 56.100 -0.402 0.000 1.018 263 R CB -0.378 29.595 30.300 -0.544 0.000 0.888 263 R HN 0.824 nan 8.270 nan 0.000 0.471 264 Y N -0.431 119.695 120.300 -0.290 0.000 2.531 264 Y HA 0.168 4.717 4.550 -0.002 0.000 0.249 264 Y C 1.424 177.308 175.900 -0.026 0.000 1.168 264 Y CA -0.248 57.549 58.100 -0.505 0.000 1.226 264 Y CB 0.257 38.252 38.460 -0.774 0.000 1.177 264 Y HN 0.064 nan 8.280 nan 0.000 0.527 265 K N -0.332 120.178 120.400 0.182 0.000 2.113 265 K HA -0.194 4.125 4.320 -0.002 0.000 0.208 265 K C 0.340 177.147 176.600 0.346 0.000 1.047 265 K CA 2.129 58.611 56.287 0.324 0.000 0.928 265 K CB -0.190 32.486 32.500 0.293 0.000 0.716 265 K HN 0.102 nan 8.250 nan 0.000 0.446 266 D N -0.325 120.230 120.400 0.258 0.000 2.336 266 D HA -0.041 4.597 4.640 -0.002 0.000 0.229 266 D C 0.577 176.978 176.300 0.168 0.000 1.061 266 D CA 0.378 54.482 54.000 0.174 0.000 0.875 266 D CB -0.113 40.756 40.800 0.115 0.000 0.904 266 D HN 0.378 nan 8.370 nan 0.000 0.525 267 W N -0.087 121.135 121.300 -0.131 0.000 2.905 267 W HA 0.173 4.831 4.660 -0.002 0.000 0.251 267 W C 0.340 176.404 176.519 -0.759 0.000 1.305 267 W CA -0.147 56.925 57.345 -0.456 0.000 1.465 267 W CB -0.186 28.938 29.460 -0.560 0.000 1.122 267 W HN -0.177 nan 8.180 nan 0.000 0.659 268 F N -2.313 117.763 119.950 0.209 0.000 2.814 268 F HA 0.473 4.999 4.527 -0.002 0.000 0.353 268 F C -0.641 175.136 175.800 -0.038 0.000 1.177 268 F CA -1.644 56.470 58.000 0.190 0.000 1.036 268 F CB 0.273 39.491 39.000 0.364 0.000 1.455 268 F HN -0.543 nan 8.300 nan 0.000 0.520 269 F N 2.644 122.840 119.950 0.411 0.000 2.371 269 F HA 0.395 4.920 4.527 -0.002 0.000 0.343 269 F C -0.615 175.326 175.800 0.235 0.000 1.150 269 F CA -0.531 57.619 58.000 0.249 0.000 1.220 269 F CB 0.326 39.438 39.000 0.187 0.000 1.475 269 F HN -0.075 nan 8.300 nan 0.000 0.521 270 I N 2.125 122.859 120.570 0.274 0.000 2.352 270 I HA 0.129 4.298 4.170 -0.002 0.000 0.290 270 I C 1.134 177.237 176.117 -0.023 0.000 1.036 270 I CA 0.033 61.397 61.300 0.106 0.000 1.336 270 I CB 1.007 38.934 38.000 -0.122 0.000 1.407 270 I HN 0.599 nan 8.210 nan 0.000 0.497 271 E N 3.577 123.777 120.200 0.001 0.000 2.076 271 E HA -0.109 4.240 4.350 -0.002 0.000 0.190 271 E C -0.503 176.017 176.600 -0.134 0.000 0.979 271 E CA 0.959 57.340 56.400 -0.031 0.000 0.807 271 E CB 0.263 29.965 29.700 0.004 0.000 0.761 271 E HN 0.851 nan 8.360 nan 0.000 0.454 272 D N -1.926 118.331 120.400 -0.239 0.000 2.694 272 D HA 0.254 4.892 4.640 -0.002 0.000 0.260 272 D C -1.239 174.837 176.300 -0.374 0.000 1.250 272 D CA -0.720 53.107 54.000 -0.288 0.000 0.763 272 D CB 0.221 40.972 40.800 -0.081 0.000 1.311 272 D HN -0.213 nan 8.370 nan 0.000 0.420 273 F N 0.310 120.287 119.950 0.045 0.000 2.458 273 F HA 0.602 5.127 4.527 -0.002 0.000 0.330 273 F C -1.385 174.427 175.800 0.021 0.000 1.082 273 F CA -1.498 56.518 58.000 0.026 0.000 0.995 273 F CB 0.598 39.603 39.000 0.010 0.000 1.170 273 F HN 0.222 nan 8.300 nan 0.000 0.478 274 P HA 0.073 nan 4.420 nan 0.000 0.272 274 P C 0.699 178.118 177.300 0.199 0.000 1.254 274 P CA -0.285 62.949 63.100 0.224 0.000 0.795 274 P CB 0.843 32.609 31.700 0.110 0.000 1.022 275 V N -0.964 119.054 119.914 0.173 0.000 2.759 275 V HA -0.064 4.055 4.120 -0.002 0.000 0.256 275 V C 1.270 177.487 176.094 0.205 0.000 1.080 275 V CA 1.886 64.258 62.300 0.120 0.000 1.101 275 V CB -1.157 30.619 31.823 -0.078 0.000 0.698 275 V HN 0.955 nan 8.190 nan 0.000 0.477 276 S N -2.187 113.606 115.700 0.156 0.000 2.688 276 S HA 0.544 5.012 4.470 -0.002 0.000 0.266 276 S C -0.473 174.191 174.600 0.107 0.000 1.061 276 S CA -0.670 57.635 58.200 0.175 0.000 0.844 276 S CB 2.052 65.430 63.200 0.297 0.000 1.103 276 S HN -0.096 nan 8.310 nan 0.000 0.471 277 K N -0.434 120.020 120.400 0.091 0.000 2.631 277 K HA 0.552 4.871 4.320 -0.002 0.000 0.200 277 K C 0.697 177.333 176.600 0.059 0.000 1.481 277 K CA 1.091 57.415 56.287 0.062 0.000 1.087 277 K CB 0.968 33.494 32.500 0.043 0.000 1.502 277 K HN 0.877 nan 8.250 nan 0.000 0.560 278 T N -2.941 111.650 114.554 0.061 0.000 2.640 278 T HA 0.077 4.426 4.350 -0.002 0.000 0.268 278 T C 0.190 174.917 174.700 0.046 0.000 1.406 278 T CA 0.302 62.434 62.100 0.053 0.000 1.078 278 T CB 0.146 69.033 68.868 0.032 0.000 1.923 278 T HN -0.179 nan 8.240 nan 0.000 0.431 279 S N -0.134 115.579 115.700 0.022 0.000 2.447 279 S HA -0.003 4.466 4.470 -0.002 0.000 0.233 279 S C 1.221 175.793 174.600 -0.048 0.000 1.006 279 S CA 1.195 59.393 58.200 -0.003 0.000 0.957 279 S CB -0.495 62.701 63.200 -0.007 0.000 0.773 279 S HN 0.511 nan 8.310 nan 0.000 0.507 280 R N 3.486 123.965 120.500 -0.035 0.000 2.824 280 R HA 0.067 4.405 4.340 -0.002 0.000 0.240 280 R C -0.208 176.040 176.300 -0.086 0.000 1.548 280 R CA 0.273 56.339 56.100 -0.057 0.000 1.119 280 R CB -1.187 29.097 30.300 -0.028 0.000 1.189 280 R HN 0.339 nan 8.270 nan 0.000 0.596 281 T N 0.294 114.730 114.554 -0.197 0.000 2.851 281 T HA 0.106 4.455 4.350 -0.002 0.000 0.298 281 T C 0.658 175.175 174.700 -0.305 0.000 0.977 281 T CA -0.512 61.343 62.100 -0.409 0.000 1.126 281 T CB 0.705 68.996 68.868 -0.962 0.000 0.916 281 T HN 0.723 nan 8.240 nan 0.000 0.529 282 N N 1.478 120.099 118.700 -0.132 0.000 2.451 282 N HA 0.242 4.981 4.740 -0.002 0.000 0.264 282 N C -0.884 174.685 175.510 0.098 0.000 1.167 282 N CA -1.025 52.016 53.050 -0.015 0.000 0.898 282 N CB -0.012 38.494 38.487 0.031 0.000 1.176 282 N HN 0.820 nan 8.380 nan 0.000 0.507 283 Y N -2.533 117.802 120.300 0.059 0.000 2.513 283 Y HA 0.444 4.993 4.550 -0.002 0.000 0.340 283 Y C -0.609 175.351 175.900 0.099 0.000 1.055 283 Y CA -1.558 56.611 58.100 0.114 0.000 1.020 283 Y CB 0.802 39.378 38.460 0.194 0.000 1.301 283 Y HN -0.081 nan 8.280 nan 0.000 0.453 284 E N 2.022 122.384 120.200 0.270 0.000 2.384 284 E HA 0.374 4.723 4.350 -0.002 0.000 0.266 284 E C -0.388 176.313 176.600 0.168 0.000 1.012 284 E CA 0.270 56.733 56.400 0.104 0.000 0.901 284 E CB 0.794 30.489 29.700 -0.007 0.000 0.967 284 E HN 0.874 nan 8.360 nan 0.000 0.435 285 T N 1.047 115.613 114.554 0.020 0.000 2.831 285 T HA 0.351 4.700 4.350 -0.002 0.000 0.287 285 T C -0.281 174.403 174.700 -0.027 0.000 1.070 285 T CA -0.922 61.210 62.100 0.053 0.000 1.010 285 T CB 0.535 69.403 68.868 -0.000 0.000 1.264 285 T HN 0.412 nan 8.240 nan 0.000 0.532 286 F N 2.138 121.969 119.950 -0.199 0.000 2.553 286 F HA 0.428 4.953 4.527 -0.002 0.000 0.356 286 F C 1.154 176.830 175.800 -0.207 0.000 1.142 286 F CA 0.755 58.584 58.000 -0.286 0.000 1.322 286 F CB -0.360 38.230 39.000 -0.683 0.000 1.126 286 F HN 1.342 nan 8.300 nan 0.000 0.599 287 A N 2.432 124.462 122.820 -1.317 0.000 5.578 287 A HA -0.247 4.072 4.320 -0.002 0.000 0.312 287 A C -0.495 176.805 177.584 -0.473 0.000 1.861 287 A CA 1.064 52.504 52.037 -0.996 0.000 0.719 287 A CB -2.132 16.184 19.000 -1.141 0.000 1.323 287 A HN 1.356 nan 8.150 nan 0.000 0.387 288 V N 0.610 120.314 119.914 -0.350 0.000 2.409 288 V HA 0.568 4.687 4.120 -0.002 0.000 0.291 288 V C 0.011 176.002 176.094 -0.173 0.000 1.020 288 V CA 0.298 62.461 62.300 -0.227 0.000 0.848 288 V CB 1.341 33.050 31.823 -0.190 0.000 0.990 288 V HN 1.000 nan 8.190 nan 0.000 0.430 289 Q N 2.062 121.764 119.800 -0.164 0.000 2.452 289 Q HA -0.153 4.186 4.340 -0.002 0.000 0.318 289 Q C -0.278 175.659 176.000 -0.105 0.000 1.386 289 Q CA 0.398 56.113 55.803 -0.147 0.000 0.872 289 Q CB -1.089 27.579 28.738 -0.117 0.000 1.151 289 Q HN 0.641 nan 8.270 nan 0.000 0.417 290 V N 1.671 121.533 119.914 -0.086 0.000 2.217 290 V HA 0.079 4.198 4.120 -0.002 0.000 0.264 290 V C -0.803 175.312 176.094 0.034 0.000 1.107 290 V CA -0.765 61.533 62.300 -0.004 0.000 0.913 290 V CB 1.017 32.877 31.823 0.060 0.000 1.153 290 V HN 0.151 nan 8.190 nan 0.000 0.469 291 P HA -0.241 nan 4.420 nan 0.000 0.217 291 P C 1.330 178.770 177.300 0.233 0.000 1.148 291 P CA 1.877 65.078 63.100 0.168 0.000 0.834 291 P CB 0.448 32.234 31.700 0.144 0.000 0.783 292 A N -1.189 121.722 122.820 0.152 0.000 2.206 292 A HA 0.070 4.389 4.320 -0.002 0.000 0.211 292 A C 1.537 179.181 177.584 0.100 0.000 1.158 292 A CA 0.597 52.714 52.037 0.133 0.000 0.761 292 A CB -0.802 18.286 19.000 0.146 0.000 0.801 292 A HN 0.209 nan 8.150 nan 0.000 0.473 293 M N 1.538 121.194 119.600 0.093 0.000 2.236 293 M HA 0.241 4.720 4.480 -0.002 0.000 0.228 293 M C -2.927 173.428 176.300 0.091 0.000 0.906 293 M CA -1.710 53.634 55.300 0.074 0.000 0.761 293 M CB 1.706 34.263 32.600 -0.072 0.000 1.439 293 M HN -0.058 nan 8.290 nan 0.000 0.394 294 P HA 0.062 nan 4.420 nan 0.000 0.271 294 P C -0.728 176.749 177.300 0.295 0.000 1.220 294 P CA 0.007 63.122 63.100 0.024 0.000 0.768 294 P CB 0.835 32.008 31.700 -0.878 0.000 0.848 295 K N 4.027 124.653 120.400 0.376 0.000 2.448 295 K HA 0.132 4.451 4.320 -0.002 0.000 0.278 295 K C -0.334 176.574 176.600 0.512 0.000 1.009 295 K CA -0.280 56.247 56.287 0.400 0.000 0.995 295 K CB 0.073 32.704 32.500 0.218 0.000 0.917 295 K HN 0.473 nan 8.250 nan 0.000 0.481 296 L N 4.497 125.911 121.223 0.318 0.000 2.312 296 L HA 0.303 4.642 4.340 -0.002 0.000 0.281 296 L C 0.804 177.751 176.870 0.128 0.000 1.070 296 L CA -0.416 54.484 54.840 0.101 0.000 0.805 296 L CB 1.159 43.170 42.059 -0.079 0.000 1.174 296 L HN 0.607 nan 8.230 nan 0.000 0.434 297 R N 1.497 121.968 120.500 -0.049 0.000 3.266 297 R HA 0.038 4.377 4.340 -0.002 0.000 0.224 297 R C 1.063 177.238 176.300 -0.208 0.000 1.525 297 R CA 0.027 56.065 56.100 -0.105 0.000 1.364 297 R CB 0.125 30.148 30.300 -0.462 0.000 1.276 297 R HN 0.832 nan 8.270 nan 0.000 0.660 298 T N -1.155 113.287 114.554 -0.187 0.000 3.077 298 T HA -0.101 4.248 4.350 -0.002 0.000 0.269 298 T C 0.974 175.589 174.700 -0.142 0.000 1.146 298 T CA 1.027 62.963 62.100 -0.274 0.000 1.091 298 T CB 0.020 68.531 68.868 -0.595 0.000 0.892 298 T HN 0.580 nan 8.240 nan 0.000 0.533 299 E N 1.011 121.144 120.200 -0.111 0.000 2.358 299 E HA 0.054 4.402 4.350 -0.002 0.000 0.195 299 E C 0.742 177.264 176.600 -0.129 0.000 1.010 299 E CA -0.170 56.186 56.400 -0.073 0.000 0.856 299 E CB 0.040 29.728 29.700 -0.020 0.000 0.795 299 E HN 0.432 nan 8.360 nan 0.000 0.504 300 N N 1.706 120.281 118.700 -0.209 0.000 2.442 300 N HA -0.000 4.739 4.740 -0.002 0.000 0.265 300 N C -1.644 173.689 175.510 -0.296 0.000 1.138 300 N CA -1.626 51.273 53.050 -0.251 0.000 0.956 300 N CB 1.182 39.460 38.487 -0.349 0.000 1.067 300 N HN -0.126 nan 8.380 nan 0.000 0.474 301 P HA -0.159 nan 4.420 nan 0.000 0.218 301 P C 0.498 177.628 177.300 -0.283 0.000 1.146 301 P CA 1.381 64.342 63.100 -0.231 0.000 0.813 301 P CB 0.514 32.130 31.700 -0.141 0.000 0.778 302 E N -0.247 119.773 120.200 -0.300 0.000 2.072 302 E HA -0.081 4.268 4.350 -0.002 0.000 0.191 302 E C 2.187 178.367 176.600 -0.700 0.000 0.985 302 E CA 0.908 57.120 56.400 -0.313 0.000 0.801 302 E CB -0.450 29.197 29.700 -0.088 0.000 0.750 302 E HN 0.077 nan 8.360 nan 0.000 0.452 303 V N 1.763 121.053 119.914 -1.040 0.000 2.358 303 V HA -0.267 3.852 4.120 -0.002 0.000 0.246 303 V C 2.403 178.160 176.094 -0.561 0.000 1.047 303 V CA 1.894 63.562 62.300 -1.053 0.000 1.035 303 V CB -0.424 30.876 31.823 -0.872 0.000 0.658 303 V HN 0.202 nan 8.190 nan 0.000 0.452 304 K N 0.134 120.233 120.400 -0.501 0.000 2.057 304 K HA -0.255 4.064 4.320 -0.002 0.000 0.207 304 K C 2.232 178.344 176.600 -0.812 0.000 1.049 304 K CA 1.960 57.851 56.287 -0.659 0.000 0.931 304 K CB -0.161 31.883 32.500 -0.760 0.000 0.714 304 K HN 0.569 nan 8.250 nan 0.000 0.440 305 E N -0.501 119.407 120.200 -0.486 0.000 2.051 305 E HA -0.248 4.101 4.350 -0.002 0.000 0.192 305 E C 1.927 178.472 176.600 -0.091 0.000 0.991 305 E CA 1.337 57.591 56.400 -0.244 0.000 0.799 305 E CB -0.247 29.391 29.700 -0.104 0.000 0.748 305 E HN 0.430 nan 8.360 nan 0.000 0.449 306 Y N 1.204 121.394 120.300 -0.184 0.000 2.097 306 Y HA -0.224 4.325 4.550 -0.002 0.000 0.282 306 Y C 2.113 177.959 175.900 -0.091 0.000 1.152 306 Y CA 1.885 59.966 58.100 -0.033 0.000 1.136 306 Y CB -0.300 38.195 38.460 0.057 0.000 0.975 306 Y HN 0.020 nan 8.280 nan 0.000 0.498 307 L N -1.067 120.091 121.223 -0.108 0.000 2.083 307 L HA -0.248 4.091 4.340 -0.002 0.000 0.209 307 L C 2.426 179.206 176.870 -0.150 0.000 1.083 307 L CA 1.387 55.986 54.840 -0.402 0.000 0.752 307 L CB -0.752 40.847 42.059 -0.766 0.000 0.899 307 L HN 0.292 nan 8.230 nan 0.000 0.433 308 F N 0.193 120.001 119.950 -0.237 0.000 2.171 308 F HA -0.237 4.289 4.527 -0.002 0.000 0.300 308 F C 2.325 178.115 175.800 -0.018 0.000 1.090 308 F CA 0.379 58.326 58.000 -0.089 0.000 1.293 308 F CB -0.102 38.829 39.000 -0.116 0.000 1.013 308 F HN 0.186 nan 8.300 nan 0.000 0.486 309 D N 0.135 120.601 120.400 0.110 0.000 2.117 309 D HA -0.133 4.505 4.640 -0.002 0.000 0.198 309 D C 2.375 178.719 176.300 0.073 0.000 0.982 309 D CA 0.931 54.956 54.000 0.042 0.000 0.828 309 D CB -0.502 40.251 40.800 -0.079 0.000 0.967 309 D HN 0.030 nan 8.370 nan 0.000 0.464 310 V N 1.536 121.455 119.914 0.010 0.000 2.287 310 V HA -0.287 3.832 4.120 -0.002 0.000 0.248 310 V C 2.548 178.981 176.094 0.566 0.000 1.053 310 V CA 1.970 64.401 62.300 0.219 0.000 1.027 310 V CB -0.864 31.093 31.823 0.223 0.000 0.646 310 V HN 0.193 nan 8.190 nan 0.000 0.447 311 A N -0.158 122.967 122.820 0.510 0.000 1.902 311 A HA -0.239 4.080 4.320 -0.002 0.000 0.217 311 A C 2.372 180.341 177.584 0.641 0.000 1.181 311 A CA 1.933 54.368 52.037 0.663 0.000 0.623 311 A CB -0.517 18.755 19.000 0.452 0.000 0.818 311 A HN 0.525 nan 8.150 nan 0.000 0.443 312 R N -1.908 118.814 120.500 0.369 0.000 2.083 312 R HA -0.142 4.197 4.340 -0.002 0.000 0.237 312 R C 2.066 178.513 176.300 0.246 0.000 1.137 312 R CA 1.654 57.909 56.100 0.258 0.000 0.951 312 R CB -0.608 29.787 30.300 0.159 0.000 0.851 312 R HN 0.621 nan 8.270 nan 0.000 0.434 313 F N 0.215 120.200 119.950 0.059 0.000 2.069 313 F HA -0.267 4.259 4.527 -0.002 0.000 0.298 313 F C 1.737 177.438 175.800 -0.165 0.000 1.113 313 F CA 1.634 59.542 58.000 -0.154 0.000 1.214 313 F CB -0.282 38.488 39.000 -0.384 0.000 0.978 313 F HN 0.014 nan 8.300 nan 0.000 0.474 314 W N 0.119 121.594 121.300 0.292 0.000 2.388 314 W HA -0.138 4.520 4.660 -0.002 0.000 0.294 314 W C 2.419 179.012 176.519 0.124 0.000 1.212 314 W CA 0.956 58.413 57.345 0.188 0.000 1.271 314 W CB -0.472 29.281 29.460 0.489 0.000 1.126 314 W HN 0.014 nan 8.180 nan 0.000 0.535 315 M N -0.091 119.744 119.600 0.391 0.000 2.296 315 M HA -0.163 4.316 4.480 -0.002 0.000 0.265 315 M C 1.619 177.983 176.300 0.108 0.000 1.064 315 M CA 1.483 56.929 55.300 0.244 0.000 1.109 315 M CB -0.394 32.385 32.600 0.298 0.000 1.396 315 M HN 0.062 nan 8.290 nan 0.000 0.430 316 E N 0.028 120.239 120.200 0.018 0.000 2.204 316 E HA -0.168 4.181 4.350 -0.002 0.000 0.194 316 E C 1.744 178.289 176.600 -0.093 0.000 0.989 316 E CA 0.661 57.022 56.400 -0.066 0.000 0.824 316 E CB 0.044 29.654 29.700 -0.150 0.000 0.756 316 E HN 0.468 nan 8.360 nan 0.000 0.477 317 Q N -0.616 119.128 119.800 -0.093 0.000 2.482 317 Q HA 0.014 4.353 4.340 -0.002 0.000 0.209 317 Q C 1.206 177.234 176.000 0.047 0.000 0.961 317 Q CA 0.905 56.706 55.803 -0.004 0.000 0.945 317 Q CB 0.660 29.527 28.738 0.215 0.000 1.012 317 Q HN 0.422 nan 8.270 nan 0.000 0.515 318 G N 1.450 110.286 108.800 0.060 0.000 2.131 318 G HA2 -0.249 3.709 3.960 -0.002 0.000 0.223 318 G HA3 -0.249 3.709 3.960 -0.002 0.000 0.223 318 G C 0.346 175.312 174.900 0.110 0.000 0.990 318 G CA 0.259 45.403 45.100 0.074 0.000 0.671 318 G HN 0.466 nan 8.290 nan 0.000 0.521 319 I N -2.880 117.753 120.570 0.104 0.000 3.194 319 I HA 0.495 4.664 4.170 -0.002 0.000 0.283 319 I C 0.531 176.675 176.117 0.046 0.000 1.199 319 I CA -0.119 61.220 61.300 0.066 0.000 1.328 319 I CB 0.537 38.537 38.000 0.000 0.000 1.404 319 I HN -0.082 nan 8.210 nan 0.000 0.618 320 D N 1.709 122.132 120.400 0.038 0.000 2.431 320 D HA 0.351 4.989 4.640 -0.002 0.000 0.213 320 D C 0.489 176.886 176.300 0.160 0.000 1.130 320 D CA 0.311 54.346 54.000 0.059 0.000 0.834 320 D CB 1.271 42.032 40.800 -0.065 0.000 0.985 320 D HN 0.906 nan 8.370 nan 0.000 0.504 321 G N 0.290 109.090 108.800 0.000 0.000 2.324 321 G HA2 0.287 4.245 3.960 -0.002 0.000 0.293 321 G HA3 0.287 4.245 3.960 -0.002 0.000 0.293 321 G C -2.229 172.565 174.900 -0.176 0.000 1.297 321 G CA -1.087 44.041 45.100 0.047 0.000 0.853 321 G HN 0.035 nan 8.290 nan 0.000 0.535 322 W N -0.443 120.963 121.300 0.175 0.000 2.962 322 W HA 0.811 5.470 4.660 -0.002 0.000 0.341 322 W C 0.032 176.483 176.519 -0.113 0.000 1.155 322 W CA -0.931 56.478 57.345 0.107 0.000 1.165 322 W CB 2.019 31.601 29.460 0.204 0.000 1.435 322 W HN 0.481 nan 8.180 nan 0.000 0.546 323 R N 2.955 123.524 120.500 0.116 0.000 2.388 323 R HA 0.444 4.783 4.340 -0.002 0.000 0.314 323 R C -1.536 174.658 176.300 -0.176 0.000 0.959 323 R CA -0.522 55.441 56.100 -0.229 0.000 0.851 323 R CB 0.605 30.689 30.300 -0.361 0.000 1.168 323 R HN 0.760 nan 8.270 nan 0.000 0.472 324 L N 4.290 125.274 121.223 -0.398 0.000 2.295 324 L HA 0.264 4.602 4.340 -0.002 0.000 0.288 324 L C 0.539 177.244 176.870 -0.276 0.000 1.079 324 L CA -0.710 53.865 54.840 -0.441 0.000 0.830 324 L CB 0.374 41.886 42.059 -0.912 0.000 1.200 324 L HN 0.488 nan 8.230 nan 0.000 0.438 325 N N 2.178 120.816 118.700 -0.104 0.000 2.483 325 N HA 0.067 4.806 4.740 -0.002 0.000 0.264 325 N C 0.581 176.095 175.510 0.007 0.000 1.197 325 N CA 0.019 53.080 53.050 0.018 0.000 0.927 325 N CB 0.768 39.333 38.487 0.129 0.000 1.065 325 N HN 0.382 nan 8.380 nan 0.000 0.461 326 V N 2.000 121.943 119.914 0.047 0.000 5.043 326 V HA -0.341 3.777 4.120 -0.002 0.000 0.267 326 V C 1.668 177.801 176.094 0.065 0.000 0.597 326 V CA 1.138 63.494 62.300 0.094 0.000 0.703 326 V CB -2.861 29.090 31.823 0.213 0.000 0.558 326 V HN 0.834 nan 8.190 nan 0.000 1.038 327 A N 1.318 124.102 122.820 -0.059 0.000 1.997 327 A HA -0.268 4.050 4.320 -0.002 0.000 0.221 327 A C 1.857 179.471 177.584 0.049 0.000 1.172 327 A CA 2.252 54.253 52.037 -0.059 0.000 0.645 327 A CB -0.674 17.954 19.000 -0.620 0.000 0.813 327 A HN 1.101 nan 8.150 nan 0.000 0.454 328 N N -0.989 117.599 118.700 -0.186 0.000 2.571 328 N HA -0.064 4.675 4.740 -0.002 0.000 0.189 328 N C 0.762 176.403 175.510 0.219 0.000 1.154 328 N CA 0.792 53.755 53.050 -0.144 0.000 0.907 328 N CB -0.088 38.239 38.487 -0.266 0.000 0.977 328 N HN 0.635 nan 8.380 nan 0.000 0.449 329 E N 0.430 120.738 120.200 0.180 0.000 2.548 329 E HA 0.163 4.511 4.350 -0.002 0.000 0.206 329 E C -0.734 175.928 176.600 0.104 0.000 1.005 329 E CA -0.220 56.268 56.400 0.147 0.000 0.951 329 E CB 1.115 30.882 29.700 0.111 0.000 1.035 329 E HN 0.111 nan 8.360 nan 0.000 0.470 330 V N 3.190 123.190 119.914 0.142 0.000 2.513 330 V HA 0.050 4.169 4.120 -0.002 0.000 0.299 330 V C 0.122 176.182 176.094 -0.057 0.000 1.035 330 V CA -1.085 61.151 62.300 -0.105 0.000 0.889 330 V CB 1.668 33.264 31.823 -0.379 0.000 0.988 330 V HN 0.223 nan 8.190 nan 0.000 0.440 331 D N 2.513 122.833 120.400 -0.133 0.000 2.419 331 D HA -0.059 4.579 4.640 -0.002 0.000 0.236 331 D C 0.729 177.057 176.300 0.047 0.000 1.165 331 D CA 0.074 54.067 54.000 -0.011 0.000 0.882 331 D CB 0.966 41.787 40.800 0.036 0.000 1.201 331 D HN 0.633 nan 8.370 nan 0.000 0.443 332 H N 1.081 120.296 119.070 0.242 0.000 2.387 332 H HA -0.056 4.499 4.556 -0.002 0.000 0.299 332 H C 2.142 177.612 175.328 0.238 0.000 1.090 332 H CA 2.214 58.428 56.048 0.277 0.000 1.332 332 H CB -0.029 29.788 29.762 0.091 0.000 1.386 332 H HN 0.644 nan 8.280 nan 0.000 0.516 333 A N 0.721 123.700 122.820 0.266 0.000 1.883 333 A HA -0.230 4.088 4.320 -0.002 0.000 0.217 333 A C 2.134 179.852 177.584 0.224 0.000 1.186 333 A CA 1.626 53.779 52.037 0.193 0.000 0.624 333 A CB -1.029 18.042 19.000 0.117 0.000 0.822 333 A HN 0.470 nan 8.150 nan 0.000 0.444 334 F N -0.736 119.216 119.950 0.003 0.000 2.091 334 F HA -0.232 4.294 4.527 -0.002 0.000 0.299 334 F C 2.077 177.986 175.800 0.182 0.000 1.103 334 F CA 1.890 59.855 58.000 -0.059 0.000 1.228 334 F CB -0.566 38.167 39.000 -0.445 0.000 0.984 334 F HN 0.439 nan 8.300 nan 0.000 0.477 335 W N 0.337 122.021 121.300 0.641 0.000 2.402 335 W HA -0.088 4.570 4.660 -0.002 0.000 0.286 335 W C 2.594 179.348 176.519 0.392 0.000 1.221 335 W CA 0.553 58.250 57.345 0.587 0.000 1.257 335 W CB -0.318 29.467 29.460 0.541 0.000 1.120 335 W HN -0.155 nan 8.180 nan 0.000 0.551 336 R N 0.541 121.326 120.500 0.476 0.000 2.075 336 R HA -0.124 4.214 4.340 -0.002 0.000 0.232 336 R C 1.797 178.227 176.300 0.216 0.000 1.126 336 R CA 1.500 57.765 56.100 0.275 0.000 0.963 336 R CB -0.462 29.944 30.300 0.177 0.000 0.858 336 R HN 0.324 nan 8.270 nan 0.000 0.435 337 E N -0.143 120.191 120.200 0.223 0.000 2.152 337 E HA -0.159 4.190 4.350 -0.002 0.000 0.192 337 E C 1.610 178.200 176.600 -0.017 0.000 0.983 337 E CA 0.719 57.206 56.400 0.146 0.000 0.818 337 E CB -0.102 29.746 29.700 0.247 0.000 0.758 337 E HN 0.175 nan 8.360 nan 0.000 0.467 338 F N 1.977 121.860 119.950 -0.112 0.000 2.134 338 F HA -0.158 4.367 4.527 -0.002 0.000 0.299 338 F C 2.370 178.127 175.800 -0.071 0.000 1.097 338 F CA 1.530 59.342 58.000 -0.314 0.000 1.264 338 F CB -0.013 39.126 39.000 0.231 0.000 1.001 338 F HN -0.210 nan 8.300 nan 0.000 0.479 339 R N 0.189 120.780 120.500 0.152 0.000 2.073 339 R HA -0.154 4.184 4.340 -0.002 0.000 0.234 339 R C 2.559 178.821 176.300 -0.062 0.000 1.134 339 R CA 1.430 57.561 56.100 0.052 0.000 0.952 339 R CB -0.344 30.052 30.300 0.160 0.000 0.850 339 R HN 0.217 nan 8.270 nan 0.000 0.433 340 R N 0.331 120.804 120.500 -0.045 0.000 2.083 340 R HA -0.168 4.171 4.340 -0.002 0.000 0.237 340 R C 2.366 178.597 176.300 -0.115 0.000 1.137 340 R CA 1.559 57.627 56.100 -0.054 0.000 0.951 340 R CB -0.485 29.801 30.300 -0.024 0.000 0.851 340 R HN 0.213 nan 8.270 nan 0.000 0.434 341 L N 0.719 121.805 121.223 -0.228 0.000 1.970 341 L HA -0.165 4.173 4.340 -0.002 0.000 0.212 341 L C 2.165 178.893 176.870 -0.236 0.000 1.071 341 L CA 1.694 56.368 54.840 -0.276 0.000 0.751 341 L CB -0.795 40.948 42.059 -0.527 0.000 0.889 341 L HN -0.086 nan 8.230 nan 0.000 0.432 342 V N 0.329 120.027 119.914 -0.360 0.000 2.252 342 V HA -0.310 3.808 4.120 -0.002 0.000 0.249 342 V C 2.729 178.787 176.094 -0.061 0.000 1.056 342 V CA 2.120 64.286 62.300 -0.223 0.000 1.022 342 V CB -0.851 30.771 31.823 -0.335 0.000 0.641 342 V HN 0.462 nan 8.190 nan 0.000 0.445 343 K N 0.711 121.081 120.400 -0.051 0.000 2.211 343 K HA -0.085 4.234 4.320 -0.002 0.000 0.203 343 K C 2.419 179.024 176.600 0.009 0.000 1.050 343 K CA 1.577 57.869 56.287 0.008 0.000 0.945 343 K CB -0.659 31.852 32.500 0.020 0.000 0.732 343 K HN 0.699 nan 8.250 nan 0.000 0.451 344 S N 0.959 116.649 115.700 -0.015 0.000 2.387 344 S HA -0.035 4.434 4.470 -0.002 0.000 0.226 344 S C 2.173 176.777 174.600 0.007 0.000 1.026 344 S CA 0.567 58.765 58.200 -0.004 0.000 0.972 344 S CB -0.464 62.726 63.200 -0.017 0.000 0.814 344 S HN 0.175 nan 8.310 nan 0.000 0.477 345 L N 0.856 122.082 121.223 0.005 0.000 2.072 345 L HA 0.198 4.536 4.340 -0.002 0.000 0.205 345 L C 0.778 177.674 176.870 0.043 0.000 1.079 345 L CA 0.787 55.643 54.840 0.027 0.000 0.752 345 L CB -0.327 41.755 42.059 0.039 0.000 0.906 345 L HN 0.371 nan 8.230 nan 0.000 0.436 346 N N -1.327 117.404 118.700 0.052 0.000 2.599 346 N HA 0.175 4.914 4.740 -0.002 0.000 0.283 346 N C -2.335 173.225 175.510 0.082 0.000 1.160 346 N CA -1.465 51.626 53.050 0.069 0.000 0.869 346 N CB 1.684 40.224 38.487 0.088 0.000 1.448 346 N HN -0.296 nan 8.380 nan 0.000 0.535 347 P HA -0.002 nan 4.420 nan 0.000 0.219 347 P C 0.050 177.422 177.300 0.119 0.000 1.146 347 P CA 1.049 64.198 63.100 0.081 0.000 0.808 347 P CB 0.401 32.141 31.700 0.068 0.000 0.779 348 D N -1.234 119.263 120.400 0.161 0.000 2.340 348 D HA 0.144 4.782 4.640 -0.002 0.000 0.217 348 D C 0.608 177.145 176.300 0.395 0.000 1.081 348 D CA 0.082 54.252 54.000 0.284 0.000 0.842 348 D CB -0.056 40.935 40.800 0.319 0.000 0.934 348 D HN 0.060 nan 8.370 nan 0.000 0.511 349 A N 1.040 124.015 122.820 0.258 0.000 2.454 349 A HA 0.294 4.613 4.320 -0.002 0.000 0.260 349 A C -0.030 177.714 177.584 0.267 0.000 1.106 349 A CA -0.321 51.881 52.037 0.274 0.000 0.780 349 A CB 0.287 19.409 19.000 0.203 0.000 1.044 349 A HN 0.180 nan 8.150 nan 0.000 0.498 350 L N 3.484 124.903 121.223 0.326 0.000 2.350 350 L HA 0.578 4.916 4.340 -0.002 0.000 0.275 350 L C -0.428 176.539 176.870 0.162 0.000 1.099 350 L CA 0.090 55.037 54.840 0.178 0.000 0.808 350 L CB 0.731 42.881 42.059 0.152 0.000 1.149 350 L HN 0.579 nan 8.230 nan 0.000 0.442 351 I N 5.823 126.438 120.570 0.075 0.000 2.420 351 I HA 0.334 4.502 4.170 -0.002 0.000 0.282 351 I C -1.037 174.954 176.117 -0.211 0.000 1.019 351 I CA -0.675 60.658 61.300 0.055 0.000 1.130 351 I CB 1.591 39.708 38.000 0.195 0.000 1.262 351 I HN 0.210 nan 8.210 nan 0.000 0.454 352 V N 5.198 124.845 119.914 -0.445 0.000 2.357 352 V HA 0.535 4.654 4.120 -0.002 0.000 0.284 352 V C 0.697 176.274 176.094 -0.862 0.000 1.018 352 V CA -0.574 61.279 62.300 -0.746 0.000 0.841 352 V CB 1.506 32.569 31.823 -1.266 0.000 0.991 352 V HN 0.836 nan 8.190 nan 0.000 0.437 353 G N 2.571 110.765 108.800 -1.010 0.000 2.395 353 G HA2 0.421 4.380 3.960 -0.002 0.000 0.283 353 G HA3 0.421 4.380 3.960 -0.002 0.000 0.283 353 G C -0.303 174.227 174.900 -0.617 0.000 1.178 353 G CA -0.287 44.083 45.100 -1.218 0.000 0.837 353 G HN 0.677 nan 8.290 nan 0.000 0.518 354 E N 2.132 122.059 120.200 -0.456 0.000 1.993 354 E HA 0.336 4.685 4.350 -0.002 0.000 0.271 354 E C -0.666 175.898 176.600 -0.061 0.000 1.008 354 E CA -0.161 56.141 56.400 -0.163 0.000 0.814 354 E CB 0.315 30.004 29.700 -0.018 0.000 1.098 354 E HN 0.322 nan 8.360 nan 0.000 0.407 355 I N 3.635 124.187 120.570 -0.030 0.000 2.569 355 I HA 0.167 4.336 4.170 -0.002 0.000 0.290 355 I C -0.231 175.995 176.117 0.181 0.000 1.088 355 I CA -0.817 60.475 61.300 -0.012 0.000 1.047 355 I CB 1.416 39.200 38.000 -0.361 0.000 1.237 355 I HN 0.575 nan 8.210 nan 0.000 0.421 356 W N 3.344 124.596 121.300 -0.080 0.000 2.942 356 W HA 0.076 4.734 4.660 -0.003 0.000 0.263 356 W C 1.373 177.969 176.519 0.128 0.000 1.296 356 W CA 0.116 57.462 57.345 0.002 0.000 1.504 356 W CB -0.146 29.182 29.460 -0.220 0.000 1.096 356 W HN 0.527 nan 8.180 nan 0.000 0.639 357 H N -1.613 117.647 119.070 0.317 0.000 3.065 357 H HA 0.204 4.758 4.556 -0.002 0.000 0.279 357 H C -0.284 175.225 175.328 0.302 0.000 1.594 357 H CA -0.816 55.394 56.048 0.269 0.000 1.547 357 H CB -0.424 29.468 29.762 0.218 0.000 1.771 357 H HN -0.289 nan 8.280 nan 0.000 0.871 358 D N -0.043 120.608 120.400 0.418 0.000 2.502 358 D HA 0.027 4.665 4.640 -0.002 0.000 0.249 358 D C 0.166 176.716 176.300 0.418 0.000 1.188 358 D CA 0.325 54.567 54.000 0.404 0.000 0.890 358 D CB 0.214 41.235 40.800 0.369 0.000 1.140 358 D HN 0.625 nan 8.370 nan 0.000 0.505 359 A N 3.221 126.307 122.820 0.444 0.000 2.545 359 A HA 0.120 4.439 4.320 -0.002 0.000 0.277 359 A C 1.856 179.680 177.584 0.400 0.000 1.301 359 A CA 0.331 52.618 52.037 0.417 0.000 0.935 359 A CB -0.250 18.819 19.000 0.115 0.000 1.093 359 A HN 0.549 nan 8.150 nan 0.000 0.519 360 S N -0.433 115.556 115.700 0.483 0.000 2.387 360 S HA -0.147 4.322 4.470 -0.002 0.000 0.230 360 S C 1.951 176.627 174.600 0.127 0.000 1.035 360 S CA 1.557 59.968 58.200 0.352 0.000 1.014 360 S CB -1.025 62.420 63.200 0.409 0.000 0.836 360 S HN 0.780 nan 8.310 nan 0.000 0.466 361 G N -0.269 108.552 108.800 0.035 0.000 2.501 361 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.220 361 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.220 361 G C 0.910 175.536 174.900 -0.457 0.000 1.114 361 G CA 0.573 45.469 45.100 -0.339 0.000 0.757 361 G HN 0.672 nan 8.290 nan 0.000 0.559 362 W N -0.674 120.565 121.300 -0.102 0.000 2.870 362 W HA 0.443 5.101 4.660 -0.003 0.000 0.358 362 W C 0.406 176.684 176.519 -0.402 0.000 1.043 362 W CA -0.363 56.765 57.345 -0.360 0.000 1.692 362 W CB 0.391 29.465 29.460 -0.644 0.000 1.100 362 W HN 0.032 nan 8.180 nan 0.000 0.557 363 L N 1.028 122.217 121.223 -0.058 0.000 3.141 363 L HA 0.197 4.536 4.340 -0.002 0.000 0.263 363 L C 1.280 178.121 176.870 -0.047 0.000 1.312 363 L CA -0.135 54.662 54.840 -0.072 0.000 1.012 363 L CB 0.112 42.050 42.059 -0.201 0.000 1.408 363 L HN -0.211 nan 8.230 nan 0.000 0.559 364 M N -0.545 118.926 119.600 -0.215 0.000 2.371 364 M HA 0.333 4.812 4.480 -0.002 0.000 0.246 364 M C 1.501 177.475 176.300 -0.544 0.000 1.103 364 M CA 0.511 55.690 55.300 -0.201 0.000 1.010 364 M CB 0.234 32.770 32.600 -0.107 0.000 1.457 364 M HN 0.421 nan 8.290 nan 0.000 0.486 365 G N 1.066 109.178 108.800 -1.147 0.000 2.336 365 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.194 365 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.194 365 G C 0.300 174.821 174.900 -0.631 0.000 0.999 365 G CA 0.315 44.519 45.100 -1.493 0.000 0.669 365 G HN 0.489 nan 8.290 nan 0.000 0.482 366 D N 0.062 120.243 120.400 -0.366 0.000 2.363 366 D HA 0.312 4.950 4.640 -0.002 0.000 0.214 366 D C 1.348 177.606 176.300 -0.070 0.000 1.093 366 D CA 0.634 54.539 54.000 -0.158 0.000 0.837 366 D CB 0.221 40.967 40.800 -0.091 0.000 0.948 366 D HN 0.550 nan 8.370 nan 0.000 0.507 367 Q N -1.018 118.702 119.800 -0.133 0.000 1.845 367 Q HA 0.283 4.622 4.340 -0.002 0.000 0.152 367 Q C -0.457 175.610 176.000 0.112 0.000 0.453 367 Q CA -0.483 55.302 55.803 -0.031 0.000 0.693 367 Q CB 0.543 29.130 28.738 -0.252 0.000 0.936 367 Q HN 0.043 nan 8.270 nan 0.000 0.323 368 F N 1.611 121.556 119.950 -0.008 0.000 2.378 368 F HA 0.232 4.758 4.527 -0.002 0.000 0.325 368 F C 0.997 176.804 175.800 0.013 0.000 1.097 368 F CA -1.023 56.943 58.000 -0.056 0.000 1.079 368 F CB 0.265 39.161 39.000 -0.172 0.000 1.240 368 F HN 0.193 nan 8.300 nan 0.000 0.519 369 D N -0.685 119.853 120.400 0.231 0.000 2.271 369 D HA 0.034 4.672 4.640 -0.002 0.000 0.206 369 D C 0.750 177.105 176.300 0.093 0.000 0.967 369 D CA 0.884 55.020 54.000 0.227 0.000 0.867 369 D CB 0.749 41.588 40.800 0.066 0.000 0.960 369 D HN 0.359 nan 8.370 nan 0.000 0.509 370 S N -0.853 114.825 115.700 -0.038 0.000 2.703 370 S HA 0.538 5.006 4.470 -0.002 0.000 0.273 370 S C -1.811 172.628 174.600 -0.268 0.000 1.178 370 S CA -0.551 57.541 58.200 -0.180 0.000 0.838 370 S CB 1.221 64.236 63.200 -0.310 0.000 1.178 370 S HN -0.044 nan 8.310 nan 0.000 0.494 371 V N -0.387 119.343 119.914 -0.305 0.000 3.188 371 V HA 0.764 4.882 4.120 -0.002 0.000 0.305 371 V C -0.726 175.205 176.094 -0.272 0.000 1.232 371 V CA -1.069 61.042 62.300 -0.314 0.000 1.043 371 V CB 1.624 33.343 31.823 -0.172 0.000 1.068 371 V HN 0.930 nan 8.190 nan 0.000 0.439 372 M N 3.237 122.690 119.600 -0.245 0.000 2.435 372 M HA 0.269 4.747 4.480 -0.002 0.000 0.338 372 M C 0.462 176.669 176.300 -0.155 0.000 1.628 372 M CA 0.650 55.842 55.300 -0.180 0.000 1.215 372 M CB -0.877 31.623 32.600 -0.166 0.000 1.905 372 M HN 0.858 nan 8.290 nan 0.000 0.457 373 N N 3.357 121.982 118.700 -0.125 0.000 2.819 373 N HA -0.028 4.710 4.740 -0.002 0.000 0.284 373 N C -0.145 175.352 175.510 -0.023 0.000 1.196 373 N CA -0.026 53.017 53.050 -0.013 0.000 1.114 373 N CB 0.120 38.623 38.487 0.028 0.000 1.437 373 N HN 0.704 nan 8.380 nan 0.000 0.518 374 Y N 1.113 121.402 120.300 -0.018 0.000 2.509 374 Y HA -0.076 4.473 4.550 -0.002 0.000 0.293 374 Y C 1.794 177.760 175.900 0.111 0.000 1.133 374 Y CA 0.583 58.663 58.100 -0.033 0.000 1.283 374 Y CB 0.283 38.623 38.460 -0.199 0.000 1.001 374 Y HN 0.535 nan 8.280 nan 0.000 0.555 375 L N -1.759 119.632 121.223 0.280 0.000 2.093 375 L HA -0.210 4.129 4.340 -0.002 0.000 0.208 375 L C 2.246 179.246 176.870 0.217 0.000 1.085 375 L CA 1.277 56.257 54.840 0.233 0.000 0.755 375 L CB -0.692 41.489 42.059 0.203 0.000 0.904 375 L HN 0.249 nan 8.230 nan 0.000 0.435 376 F N 1.230 121.233 119.950 0.088 0.000 2.134 376 F HA -0.227 4.299 4.527 -0.002 0.000 0.299 376 F C 2.808 178.672 175.800 0.107 0.000 1.097 376 F CA 1.588 59.639 58.000 0.085 0.000 1.264 376 F CB -0.266 38.779 39.000 0.074 0.000 1.001 376 F HN -0.125 nan 8.300 nan 0.000 0.479 377 R N 0.440 121.094 120.500 0.257 0.000 2.083 377 R HA -0.174 4.164 4.340 -0.002 0.000 0.237 377 R C 2.212 178.578 176.300 0.111 0.000 1.137 377 R CA 1.881 58.065 56.100 0.141 0.000 0.951 377 R CB -0.434 29.945 30.300 0.131 0.000 0.851 377 R HN 0.248 nan 8.270 nan 0.000 0.434 378 E N 0.381 120.672 120.200 0.151 0.000 2.058 378 E HA -0.162 4.186 4.350 -0.002 0.000 0.194 378 E C 2.088 178.744 176.600 0.092 0.000 0.997 378 E CA 1.670 58.154 56.400 0.139 0.000 0.801 378 E CB -0.264 29.527 29.700 0.151 0.000 0.746 378 E HN 0.325 nan 8.360 nan 0.000 0.450 379 S N 0.390 116.123 115.700 0.054 0.000 2.368 379 S HA -0.093 4.376 4.470 -0.002 0.000 0.224 379 S C 2.248 176.932 174.600 0.140 0.000 1.029 379 S CA 0.944 59.193 58.200 0.080 0.000 0.988 379 S CB -0.125 63.072 63.200 -0.006 0.000 0.838 379 S HN 0.053 nan 8.310 nan 0.000 0.462 380 V N 2.211 122.147 119.914 0.037 0.000 2.427 380 V HA -0.122 3.997 4.120 -0.002 0.000 0.248 380 V C 2.174 178.438 176.094 0.283 0.000 1.051 380 V CA 1.108 63.475 62.300 0.111 0.000 1.048 380 V CB -0.573 31.152 31.823 -0.164 0.000 0.666 380 V HN 0.413 nan 8.190 nan 0.000 0.456 381 I N 0.097 120.822 120.570 0.260 0.000 2.113 381 I HA -0.218 3.950 4.170 -0.002 0.000 0.238 381 I C 2.676 178.847 176.117 0.090 0.000 1.070 381 I CA 1.765 63.216 61.300 0.252 0.000 1.332 381 I CB -0.951 37.159 38.000 0.184 0.000 1.044 381 I HN 0.251 nan 8.210 nan 0.000 0.402 382 R N -0.261 120.272 120.500 0.055 0.000 2.120 382 R HA -0.193 4.146 4.340 -0.002 0.000 0.234 382 R C 2.051 178.318 176.300 -0.054 0.000 1.123 382 R CA 1.350 57.450 56.100 -0.000 0.000 0.975 382 R CB -0.500 29.806 30.300 0.011 0.000 0.866 382 R HN 0.272 nan 8.270 nan 0.000 0.446 383 F N -1.202 118.528 119.950 -0.366 0.000 2.220 383 F HA 0.109 4.635 4.527 -0.002 0.000 0.290 383 F C 1.231 176.628 175.800 -0.672 0.000 1.080 383 F CA 0.957 58.514 58.000 -0.738 0.000 1.318 383 F CB -0.021 37.980 39.000 -1.665 0.000 1.063 383 F HN -0.106 nan 8.300 nan 0.000 0.498 384 F N -0.643 119.066 119.950 -0.402 0.000 2.505 384 F HA 0.286 4.811 4.527 -0.002 0.000 0.289 384 F C 2.237 177.915 175.800 -0.204 0.000 1.101 384 F CA 0.661 58.455 58.000 -0.343 0.000 1.446 384 F CB -0.818 38.117 39.000 -0.109 0.000 1.123 384 F HN 0.016 nan 8.300 nan 0.000 0.564 385 A N 0.233 123.058 122.820 0.007 0.000 1.859 385 A HA -0.053 4.265 4.320 -0.002 0.000 0.212 385 A C 2.163 179.657 177.584 -0.151 0.000 1.238 385 A CA 1.751 53.675 52.037 -0.188 0.000 0.613 385 A CB -1.260 17.511 19.000 -0.381 0.000 0.904 385 A HN 0.287 nan 8.150 nan 0.000 0.457 386 T N -4.067 110.420 114.554 -0.112 0.000 3.057 386 T HA 0.375 4.724 4.350 -0.002 0.000 0.254 386 T C 1.381 176.029 174.700 -0.087 0.000 1.094 386 T CA 1.183 63.229 62.100 -0.089 0.000 1.088 386 T CB -0.069 68.763 68.868 -0.061 0.000 0.934 386 T HN 1.805 nan 8.240 nan 0.000 0.497 387 G N 1.803 110.533 108.800 -0.117 0.000 2.198 387 G HA2 -0.333 3.625 3.960 -0.002 0.000 0.260 387 G HA3 -0.333 3.625 3.960 -0.002 0.000 0.260 387 G C 0.437 175.295 174.900 -0.071 0.000 1.025 387 G CA 0.632 45.658 45.100 -0.123 0.000 0.769 387 G HN 0.674 nan 8.290 nan 0.000 0.507 388 E N -0.414 119.749 120.200 -0.060 0.000 2.274 388 E HA 0.094 4.443 4.350 -0.002 0.000 0.194 388 E C 1.443 178.007 176.600 -0.060 0.000 0.996 388 E CA 0.943 57.316 56.400 -0.046 0.000 0.840 388 E CB -0.062 29.617 29.700 -0.035 0.000 0.772 388 E HN 0.922 nan 8.360 nan 0.000 0.491 389 I N -1.505 119.027 120.570 -0.062 0.000 2.934 389 I HA 0.426 4.595 4.170 -0.002 0.000 0.306 389 I C -0.476 175.628 176.117 -0.022 0.000 1.110 389 I CA -1.393 59.828 61.300 -0.131 0.000 1.019 389 I CB 1.609 39.526 38.000 -0.138 0.000 1.227 389 I HN -0.098 nan 8.210 nan 0.000 0.434 390 H N 2.993 122.105 119.070 0.070 0.000 2.530 390 H HA 0.739 5.294 4.556 -0.003 0.000 0.342 390 H C 1.012 176.379 175.328 0.064 0.000 1.312 390 H CA -0.370 55.752 56.048 0.123 0.000 1.376 390 H CB 0.548 30.344 29.762 0.056 0.000 1.692 390 H HN 0.720 nan 8.280 nan 0.000 0.622 391 A N 0.156 123.192 122.820 0.360 0.000 1.948 391 A HA -0.233 4.086 4.320 -0.002 0.000 0.220 391 A C 1.937 179.551 177.584 0.049 0.000 1.177 391 A CA 1.965 54.013 52.037 0.019 0.000 0.636 391 A CB -0.969 18.162 19.000 0.217 0.000 0.815 391 A HN 0.864 nan 8.150 nan 0.000 0.449 392 E N -1.203 119.152 120.200 0.259 0.000 2.107 392 E HA -0.183 4.166 4.350 -0.002 0.000 0.191 392 E C 2.258 178.928 176.600 0.117 0.000 0.982 392 E CA 1.098 57.599 56.400 0.168 0.000 0.809 392 E CB -0.125 29.640 29.700 0.109 0.000 0.756 392 E HN 0.469 nan 8.360 nan 0.000 0.459 393 R N 0.939 121.498 120.500 0.098 0.000 2.115 393 R HA -0.088 4.251 4.340 -0.002 0.000 0.226 393 R C 1.785 177.993 176.300 -0.153 0.000 1.100 393 R CA 1.045 57.067 56.100 -0.129 0.000 0.980 393 R CB -0.758 29.295 30.300 -0.413 0.000 0.875 393 R HN 0.222 nan 8.270 nan 0.000 0.445 394 F N 0.691 120.368 119.950 -0.455 0.000 2.075 394 F HA -0.201 4.324 4.527 -0.002 0.000 0.297 394 F C 1.978 177.415 175.800 -0.606 0.000 1.113 394 F CA 1.877 59.448 58.000 -0.716 0.000 1.218 394 F CB -0.342 37.770 39.000 -1.480 0.000 0.984 394 F HN 0.175 nan 8.300 nan 0.000 0.472 395 D N 0.619 120.697 120.400 -0.537 0.000 2.133 395 D HA -0.240 4.399 4.640 -0.002 0.000 0.195 395 D C 2.145 178.314 176.300 -0.219 0.000 0.997 395 D CA 1.619 55.410 54.000 -0.348 0.000 0.840 395 D CB -0.406 40.423 40.800 0.048 0.000 0.947 395 D HN 0.360 nan 8.370 nan 0.000 0.452 396 A N 0.516 123.251 122.820 -0.142 0.000 1.877 396 A HA -0.175 4.144 4.320 -0.002 0.000 0.216 396 A C 2.188 179.712 177.584 -0.100 0.000 1.186 396 A CA 1.713 53.712 52.037 -0.064 0.000 0.620 396 A CB -0.656 18.332 19.000 -0.021 0.000 0.822 396 A HN 0.354 nan 8.150 nan 0.000 0.443 397 E N -0.590 119.510 120.200 -0.167 0.000 2.077 397 E HA -0.188 4.160 4.350 -0.002 0.000 0.193 397 E C 1.874 178.358 176.600 -0.194 0.000 0.989 397 E CA 1.115 57.424 56.400 -0.152 0.000 0.800 397 E CB -0.268 29.343 29.700 -0.150 0.000 0.746 397 E HN 0.395 nan 8.360 nan 0.000 0.452 398 L N 0.761 121.778 121.223 -0.343 0.000 2.017 398 L HA -0.157 4.182 4.340 -0.002 0.000 0.208 398 L C 2.444 179.238 176.870 -0.127 0.000 1.073 398 L CA 1.819 56.488 54.840 -0.285 0.000 0.745 398 L CB -1.193 40.564 42.059 -0.503 0.000 0.894 398 L HN 0.111 nan 8.230 nan 0.000 0.432 399 T N -1.055 113.421 114.554 -0.129 0.000 2.708 399 T HA -0.240 4.109 4.350 -0.002 0.000 0.266 399 T C 2.067 176.632 174.700 -0.225 0.000 1.037 399 T CA 1.434 63.459 62.100 -0.126 0.000 1.146 399 T CB -0.184 68.649 68.868 -0.059 0.000 0.865 399 T HN 0.229 nan 8.240 nan 0.000 0.435 400 R N 0.832 121.246 120.500 -0.144 0.000 2.091 400 R HA -0.081 4.258 4.340 -0.002 0.000 0.238 400 R C 2.567 178.763 176.300 -0.175 0.000 1.136 400 R CA 1.475 57.499 56.100 -0.127 0.000 0.959 400 R CB -0.425 29.884 30.300 0.014 0.000 0.856 400 R HN 0.396 nan 8.270 nan 0.000 0.437 401 A N 0.915 123.646 122.820 -0.148 0.000 1.898 401 A HA -0.177 4.142 4.320 -0.002 0.000 0.216 401 A C 2.158 179.585 177.584 -0.262 0.000 1.181 401 A CA 1.391 53.322 52.037 -0.178 0.000 0.620 401 A CB -0.524 18.432 19.000 -0.073 0.000 0.819 401 A HN 0.402 nan 8.150 nan 0.000 0.442 402 R N -1.091 119.300 120.500 -0.182 0.000 2.127 402 R HA -0.087 4.251 4.340 -0.002 0.000 0.238 402 R C 1.544 177.700 176.300 -0.239 0.000 1.134 402 R CA 1.722 57.720 56.100 -0.170 0.000 0.975 402 R CB -0.212 30.016 30.300 -0.119 0.000 0.865 402 R HN 0.373 nan 8.270 nan 0.000 0.447 403 M N 0.185 119.588 119.600 -0.329 0.000 2.595 403 M HA -0.025 4.454 4.480 -0.002 0.000 0.248 403 M C 1.426 177.588 176.300 -0.230 0.000 1.119 403 M CA 0.494 55.583 55.300 -0.350 0.000 1.079 403 M CB -0.242 31.984 32.600 -0.624 0.000 1.472 403 M HN 0.173 nan 8.290 nan 0.000 0.501 404 L N -1.005 120.029 121.223 -0.315 0.000 2.217 404 L HA -0.026 4.313 4.340 -0.002 0.000 0.211 404 L C 0.294 177.068 176.870 -0.160 0.000 1.107 404 L CA 1.308 55.947 54.840 -0.335 0.000 0.783 404 L CB -0.361 41.269 42.059 -0.714 0.000 0.919 404 L HN 0.180 nan 8.230 nan 0.000 0.442 405 Y N -2.553 117.755 120.300 0.014 0.000 2.634 405 Y HA 0.478 5.027 4.550 -0.002 0.000 0.340 405 Y C -2.145 173.701 175.900 -0.090 0.000 1.058 405 Y CA -3.130 54.969 58.100 -0.002 0.000 1.081 405 Y CB 0.399 38.864 38.460 0.009 0.000 1.295 405 Y HN -0.283 nan 8.280 nan 0.000 0.487 406 P HA 0.003 nan 4.420 nan 0.000 0.272 406 P C 0.373 177.489 177.300 -0.307 0.000 1.223 406 P CA -0.031 62.714 63.100 -0.591 0.000 0.784 406 P CB 0.637 31.836 31.700 -0.835 0.000 0.923 407 E N 1.688 121.765 120.200 -0.205 0.000 2.171 407 E HA -0.312 4.037 4.350 -0.002 0.000 0.197 407 E C 0.971 177.427 176.600 -0.242 0.000 0.997 407 E CA 1.452 57.786 56.400 -0.109 0.000 0.810 407 E CB -0.524 29.186 29.700 0.018 0.000 0.738 407 E HN 0.415 nan 8.360 nan 0.000 0.467 408 Q N 0.960 120.507 119.800 -0.421 0.000 2.170 408 Q HA -0.041 4.298 4.340 -0.002 0.000 0.203 408 Q C 2.137 177.704 176.000 -0.722 0.000 0.976 408 Q CA 1.954 57.369 55.803 -0.646 0.000 0.858 408 Q CB -0.214 27.904 28.738 -1.033 0.000 0.907 408 Q HN 0.487 nan 8.270 nan 0.000 0.433 409 A N 0.586 123.033 122.820 -0.622 0.000 1.855 409 A HA 0.080 4.398 4.320 -0.002 0.000 0.213 409 A C 2.283 179.780 177.584 -0.146 0.000 1.195 409 A CA 1.230 53.076 52.037 -0.317 0.000 0.610 409 A CB -1.074 17.877 19.000 -0.081 0.000 0.837 409 A HN 0.351 nan 8.150 nan 0.000 0.444 410 A N -0.744 122.046 122.820 -0.050 0.000 1.892 410 A HA -0.295 4.024 4.320 -0.002 0.000 0.218 410 A C 2.120 179.641 177.584 -0.106 0.000 1.188 410 A CA 2.344 54.379 52.037 -0.005 0.000 0.631 410 A CB -0.667 18.322 19.000 -0.019 0.000 0.822 410 A HN 0.529 nan 8.150 nan 0.000 0.447 411 Q N -0.631 119.073 119.800 -0.160 0.000 2.297 411 Q HA -0.059 4.280 4.340 -0.002 0.000 0.208 411 Q C 1.365 177.267 176.000 -0.164 0.000 0.981 411 Q CA 1.671 57.368 55.803 -0.176 0.000 0.876 411 Q CB -0.429 28.197 28.738 -0.186 0.000 0.921 411 Q HN 0.562 nan 8.270 nan 0.000 0.446 412 G N -1.454 107.256 108.800 -0.151 0.000 3.839 412 G HA2 0.270 4.229 3.960 -0.002 0.000 0.286 412 G HA3 0.270 4.229 3.960 -0.002 0.000 0.286 412 G C -0.456 174.430 174.900 -0.022 0.000 1.005 412 G CA -0.464 44.574 45.100 -0.104 0.000 0.824 412 G HN 0.149 nan 8.290 nan 0.000 0.489 413 L N 0.631 121.830 121.223 -0.041 0.000 2.485 413 L HA 0.151 4.490 4.340 -0.002 0.000 0.275 413 L C 0.076 176.996 176.870 0.083 0.000 1.207 413 L CA -0.625 54.212 54.840 -0.006 0.000 0.855 413 L CB 0.553 42.617 42.059 0.009 0.000 1.114 413 L HN 0.131 nan 8.230 nan 0.000 0.485 414 W N 3.473 124.639 121.300 -0.223 0.000 2.497 414 W HA 0.156 4.815 4.660 -0.003 0.000 0.354 414 W C 0.073 176.379 176.519 -0.355 0.000 1.111 414 W CA -0.947 56.242 57.345 -0.259 0.000 1.510 414 W CB -0.574 28.748 29.460 -0.230 0.000 1.466 414 W HN 0.358 nan 8.180 nan 0.000 0.409 415 N N 5.208 123.695 118.700 -0.354 0.000 2.482 415 N HA 0.153 4.891 4.740 -0.002 0.000 0.242 415 N C -0.192 175.023 175.510 -0.493 0.000 1.100 415 N CA -0.106 52.450 53.050 -0.823 0.000 0.946 415 N CB 0.352 37.864 38.487 -1.625 0.000 1.227 415 N HN 0.380 nan 8.380 nan 0.000 0.508 416 L N -1.126 119.956 121.223 -0.236 0.000 2.352 416 L HA 0.553 4.892 4.340 -0.002 0.000 0.269 416 L C 0.521 177.401 176.870 0.016 0.000 1.034 416 L CA -0.834 53.927 54.840 -0.132 0.000 0.806 416 L CB 1.242 43.168 42.059 -0.221 0.000 1.244 416 L HN 0.198 nan 8.230 nan 0.000 0.447 417 L N 0.038 121.234 121.223 -0.044 0.000 2.463 417 L HA 0.248 4.586 4.340 -0.002 0.000 0.219 417 L C -0.386 176.513 176.870 0.048 0.000 1.088 417 L CA 0.255 55.023 54.840 -0.120 0.000 0.849 417 L CB -0.140 41.675 42.059 -0.406 0.000 1.012 417 L HN 0.923 nan 8.230 nan 0.000 0.468 418 D N -2.122 118.274 120.400 -0.006 0.000 2.769 418 D HA 0.375 5.014 4.640 -0.002 0.000 0.309 418 D C -0.690 175.475 176.300 -0.225 0.000 1.315 418 D CA -0.271 53.711 54.000 -0.030 0.000 0.780 418 D CB 1.024 41.864 40.800 0.065 0.000 1.312 418 D HN -0.074 nan 8.370 nan 0.000 0.437 419 S N -2.090 113.394 115.700 -0.359 0.000 2.790 419 S HA 0.369 4.838 4.470 -0.002 0.000 0.292 419 S C 0.455 174.660 174.600 -0.659 0.000 1.197 419 S CA -0.494 57.407 58.200 -0.497 0.000 0.851 419 S CB 0.613 63.775 63.200 -0.063 0.000 1.217 419 S HN 0.870 nan 8.310 nan 0.000 0.526 420 H N 0.038 118.919 119.070 -0.315 0.000 2.556 420 H HA 0.279 4.833 4.556 -0.002 0.000 0.268 420 H C -0.411 174.961 175.328 0.073 0.000 0.996 420 H CA 0.631 56.667 56.048 -0.020 0.000 1.157 420 H CB -0.512 29.421 29.762 0.286 0.000 1.355 420 H HN 0.578 nan 8.280 nan 0.000 0.597 421 D N 1.258 121.519 120.400 -0.231 0.000 2.431 421 D HA 0.064 4.702 4.640 -0.002 0.000 0.213 421 D C 0.655 177.017 176.300 0.104 0.000 1.130 421 D CA 0.385 54.361 54.000 -0.040 0.000 0.834 421 D CB 1.151 41.990 40.800 0.066 0.000 0.985 421 D HN 0.520 nan 8.370 nan 0.000 0.504 422 T N -2.094 112.488 114.554 0.046 0.000 2.864 422 T HA 0.427 4.775 4.350 -0.002 0.000 0.289 422 T C -0.148 174.575 174.700 0.038 0.000 1.082 422 T CA -0.925 61.227 62.100 0.087 0.000 1.009 422 T CB 2.660 71.607 68.868 0.131 0.000 1.234 422 T HN -0.003 nan 8.240 nan 0.000 0.526 423 E N 0.886 121.120 120.200 0.057 0.000 2.392 423 E HA 0.284 4.633 4.350 -0.002 0.000 0.259 423 E C -0.250 176.389 176.600 0.066 0.000 1.108 423 E CA -0.985 55.441 56.400 0.042 0.000 0.916 423 E CB 0.637 30.353 29.700 0.028 0.000 0.989 423 E HN 0.393 nan 8.360 nan 0.000 0.432 424 R N 1.076 121.620 120.500 0.073 0.000 2.694 424 R HA 0.012 4.351 4.340 -0.002 0.000 0.268 424 R C 0.717 177.131 176.300 0.190 0.000 1.061 424 R CA -0.008 56.179 56.100 0.144 0.000 1.133 424 R CB 0.034 30.392 30.300 0.098 0.000 1.020 424 R HN 0.697 nan 8.270 nan 0.000 0.475 425 F N 1.708 121.770 119.950 0.187 0.000 2.234 425 F HA -0.192 4.334 4.527 -0.002 0.000 0.299 425 F C 2.004 177.980 175.800 0.293 0.000 1.087 425 F CA 1.114 59.251 58.000 0.229 0.000 1.340 425 F CB -0.086 39.062 39.000 0.246 0.000 1.031 425 F HN 0.450 nan 8.300 nan 0.000 0.500 426 L N -0.109 121.329 121.223 0.359 0.000 2.083 426 L HA -0.176 4.162 4.340 -0.002 0.000 0.209 426 L C 2.149 178.983 176.870 -0.060 0.000 1.083 426 L CA 2.330 57.213 54.840 0.071 0.000 0.752 426 L CB -1.298 40.611 42.059 -0.252 0.000 0.899 426 L HN 0.097 nan 8.230 nan 0.000 0.433 427 T N -1.258 113.266 114.554 -0.051 0.000 2.904 427 T HA -0.087 4.262 4.350 -0.002 0.000 0.267 427 T C 1.953 176.583 174.700 -0.117 0.000 1.059 427 T CA 1.357 63.412 62.100 -0.075 0.000 1.137 427 T CB -0.182 68.660 68.868 -0.044 0.000 0.879 427 T HN 0.384 nan 8.240 nan 0.000 0.467 428 S N 0.645 116.236 115.700 -0.182 0.000 2.402 428 S HA -0.082 4.386 4.470 -0.002 0.000 0.229 428 S C 1.988 176.402 174.600 -0.309 0.000 1.021 428 S CA 0.651 58.693 58.200 -0.262 0.000 0.974 428 S CB -0.380 62.574 63.200 -0.409 0.000 0.800 428 S HN 0.566 nan 8.310 nan 0.000 0.484 429 C N 1.611 120.698 119.300 -0.354 0.000 2.573 429 C HA 0.392 4.851 4.460 -0.002 0.000 0.273 429 C C 1.887 176.784 174.990 -0.156 0.000 1.346 429 C CA -0.292 58.572 59.018 -0.257 0.000 1.702 429 C CB -1.728 25.899 27.740 -0.187 0.000 1.751 429 C HN 0.738 nan 8.230 nan 0.000 0.583 430 G N 0.514 109.233 108.800 -0.135 0.000 2.249 430 G HA2 0.008 3.967 3.960 -0.002 0.000 0.273 430 G HA3 0.008 3.967 3.960 -0.002 0.000 0.273 430 G C 0.975 175.820 174.900 -0.092 0.000 1.036 430 G CA 0.584 45.624 45.100 -0.099 0.000 0.824 430 G HN 1.499 nan 8.290 nan 0.000 0.504 431 G N -1.099 107.641 108.800 -0.100 0.000 2.179 431 G HA2 -0.331 3.627 3.960 -0.002 0.000 0.260 431 G HA3 -0.331 3.627 3.960 -0.002 0.000 0.260 431 G C 0.323 175.163 174.900 -0.100 0.000 0.977 431 G CA 0.761 45.800 45.100 -0.100 0.000 0.641 431 G HN 1.469 nan 8.290 nan 0.000 0.533 432 N N 1.049 119.689 118.700 -0.100 0.000 2.399 432 N HA 0.168 4.907 4.740 -0.002 0.000 0.259 432 N C 1.162 176.623 175.510 -0.082 0.000 1.160 432 N CA 0.510 53.493 53.050 -0.112 0.000 0.946 432 N CB 0.669 39.060 38.487 -0.159 0.000 1.156 432 N HN 0.589 nan 8.380 nan 0.000 0.489 433 E N 3.242 123.393 120.200 -0.081 0.000 2.150 433 E HA -0.140 4.209 4.350 -0.002 0.000 0.193 433 E C 1.416 178.008 176.600 -0.014 0.000 0.985 433 E CA 0.858 57.237 56.400 -0.035 0.000 0.814 433 E CB 0.152 29.811 29.700 -0.068 0.000 0.752 433 E HN 0.739 nan 8.360 nan 0.000 0.466 434 A N 1.413 124.159 122.820 -0.123 0.000 1.902 434 A HA -0.213 4.105 4.320 -0.002 0.000 0.217 434 A C 1.992 179.425 177.584 -0.252 0.000 1.181 434 A CA 1.588 53.514 52.037 -0.184 0.000 0.623 434 A CB -0.281 18.569 19.000 -0.251 0.000 0.818 434 A HN 0.117 nan 8.150 nan 0.000 0.443 435 K N -1.671 118.514 120.400 -0.358 0.000 2.057 435 K HA -0.057 4.262 4.320 -0.002 0.000 0.206 435 K C 1.815 178.440 176.600 0.041 0.000 1.050 435 K CA 1.389 57.532 56.287 -0.241 0.000 0.935 435 K CB -0.331 32.018 32.500 -0.252 0.000 0.715 435 K HN 0.502 nan 8.250 nan 0.000 0.439 436 F N 2.432 122.372 119.950 -0.017 0.000 2.095 436 F HA -0.205 4.321 4.527 -0.003 0.000 0.298 436 F C 2.224 178.069 175.800 0.075 0.000 1.104 436 F CA 1.479 59.574 58.000 0.159 0.000 1.232 436 F CB 0.041 39.123 39.000 0.137 0.000 0.987 436 F HN -0.129 nan 8.300 nan 0.000 0.475 437 R N 0.217 120.837 120.500 0.200 0.000 2.081 437 R HA -0.167 4.172 4.340 -0.002 0.000 0.235 437 R C 2.407 178.723 176.300 0.027 0.000 1.131 437 R CA 1.608 57.758 56.100 0.084 0.000 0.960 437 R CB -0.850 29.337 30.300 -0.190 0.000 0.856 437 R HN 0.404 nan 8.270 nan 0.000 0.436 438 L N 0.378 121.578 121.223 -0.039 0.000 2.046 438 L HA -0.194 4.145 4.340 -0.002 0.000 0.208 438 L C 2.528 179.111 176.870 -0.478 0.000 1.077 438 L CA 1.397 56.198 54.840 -0.064 0.000 0.747 438 L CB -0.513 41.608 42.059 0.104 0.000 0.896 438 L HN 0.245 nan 8.230 nan 0.000 0.432 439 A N -0.671 121.663 122.820 -0.811 0.000 1.883 439 A HA -0.190 4.129 4.320 -0.002 0.000 0.217 439 A C 2.198 179.456 177.584 -0.545 0.000 1.186 439 A CA 1.955 53.330 52.037 -1.104 0.000 0.624 439 A CB -0.870 17.671 19.000 -0.765 0.000 0.822 439 A HN 0.281 nan 8.150 nan 0.000 0.444 440 V N -0.176 119.449 119.914 -0.482 0.000 2.343 440 V HA -0.250 3.869 4.120 -0.002 0.000 0.247 440 V C 2.501 178.443 176.094 -0.253 0.000 1.051 440 V CA 1.909 63.959 62.300 -0.418 0.000 1.036 440 V CB -0.759 30.757 31.823 -0.511 0.000 0.654 440 V HN 0.635 nan 8.190 nan 0.000 0.451 441 L N -0.909 120.262 121.223 -0.086 0.000 2.083 441 L HA -0.202 4.137 4.340 -0.002 0.000 0.209 441 L C 2.270 179.211 176.870 0.119 0.000 1.083 441 L CA 1.906 56.744 54.840 -0.003 0.000 0.752 441 L CB -0.311 41.854 42.059 0.177 0.000 0.899 441 L HN 0.388 nan 8.230 nan 0.000 0.433 442 F N 0.190 120.155 119.950 0.025 0.000 2.113 442 F HA -0.284 4.242 4.527 -0.002 0.000 0.297 442 F C 2.672 178.615 175.800 0.238 0.000 1.103 442 F CA 1.975 60.121 58.000 0.242 0.000 1.248 442 F CB -0.239 38.898 39.000 0.229 0.000 0.999 442 F HN 0.162 nan 8.300 nan 0.000 0.475 443 Q N -0.134 119.689 119.800 0.038 0.000 2.152 443 Q HA -0.232 4.106 4.340 -0.002 0.000 0.206 443 Q C 1.912 177.824 176.000 -0.148 0.000 0.985 443 Q CA 1.786 57.577 55.803 -0.020 0.000 0.863 443 Q CB -0.103 28.625 28.738 -0.017 0.000 0.904 443 Q HN 0.377 nan 8.270 nan 0.000 0.422 444 M N -0.033 119.476 119.600 -0.151 0.000 2.562 444 M HA -0.021 4.458 4.480 -0.002 0.000 0.257 444 M C 1.558 177.795 176.300 -0.104 0.000 1.099 444 M CA 1.314 56.510 55.300 -0.174 0.000 1.099 444 M CB -0.210 32.239 32.600 -0.251 0.000 1.427 444 M HN 0.348 nan 8.290 nan 0.000 0.489 445 T N -4.730 109.825 114.554 0.002 0.000 3.004 445 T HA 0.109 4.458 4.350 -0.002 0.000 0.266 445 T C 0.316 175.158 174.700 0.236 0.000 0.986 445 T CA -0.364 61.820 62.100 0.139 0.000 0.902 445 T CB -0.061 68.975 68.868 0.279 0.000 1.118 445 T HN 0.093 nan 8.240 nan 0.000 0.522 446 Y N 2.026 122.217 120.300 -0.182 0.000 2.298 446 Y HA 0.555 5.104 4.550 -0.002 0.000 0.329 446 Y C 0.172 175.910 175.900 -0.270 0.000 1.293 446 Y CA -2.396 55.446 58.100 -0.430 0.000 1.388 446 Y CB 0.566 38.464 38.460 -0.936 0.000 1.309 446 Y HN 0.145 nan 8.280 nan 0.000 0.544 447 L N 3.901 124.396 121.223 -1.215 0.000 2.477 447 L HA 0.450 4.789 4.340 -0.002 0.000 0.272 447 L C 0.197 176.750 176.870 -0.528 0.000 1.157 447 L CA 1.433 55.805 54.840 -0.781 0.000 0.889 447 L CB -0.715 40.848 42.059 -0.827 0.000 1.158 447 L HN 0.831 nan 8.230 nan 0.000 0.473 448 G N 2.565 111.175 108.800 -0.317 0.000 2.359 448 G HA2 0.234 4.193 3.960 -0.002 0.000 0.303 448 G HA3 0.234 4.193 3.960 -0.002 0.000 0.303 448 G C -0.759 174.014 174.900 -0.212 0.000 1.293 448 G CA -0.400 44.558 45.100 -0.236 0.000 0.964 448 G HN 0.955 nan 8.290 nan 0.000 0.531 449 T N -0.090 114.356 114.554 -0.179 0.000 2.770 449 T HA 0.765 5.113 4.350 -0.002 0.000 0.283 449 T C -2.611 171.914 174.700 -0.292 0.000 0.988 449 T CA -1.578 60.406 62.100 -0.192 0.000 0.957 449 T CB 2.452 71.249 68.868 -0.118 0.000 0.930 449 T HN 0.552 nan 8.240 nan 0.000 0.443 450 P HA 0.282 nan 4.420 nan 0.000 0.271 450 P C -0.913 176.194 177.300 -0.322 0.000 1.216 450 P CA -0.643 62.282 63.100 -0.293 0.000 0.771 450 P CB 0.923 32.491 31.700 -0.220 0.000 0.864 451 L N 5.032 126.074 121.223 -0.300 0.000 2.319 451 L HA 0.469 4.807 4.340 -0.002 0.000 0.281 451 L C -0.647 176.147 176.870 -0.125 0.000 1.005 451 L CA -0.691 53.972 54.840 -0.294 0.000 0.828 451 L CB 0.719 42.597 42.059 -0.301 0.000 1.227 451 L HN 0.233 nan 8.230 nan 0.000 0.415 452 I N 5.140 125.660 120.570 -0.084 0.000 2.331 452 I HA 0.198 4.366 4.170 -0.002 0.000 0.292 452 I C -1.008 175.022 176.117 -0.146 0.000 0.998 452 I CA -0.752 60.529 61.300 -0.032 0.000 1.267 452 I CB 1.097 39.132 38.000 0.058 0.000 1.386 452 I HN 0.553 nan 8.210 nan 0.000 0.476 453 Y N 8.473 128.657 120.300 -0.193 0.000 2.365 453 Y HA 0.190 4.739 4.550 -0.002 0.000 0.340 453 Y C -0.013 175.669 175.900 -0.363 0.000 1.016 453 Y CA -1.393 56.578 58.100 -0.215 0.000 1.196 453 Y CB 0.223 38.629 38.460 -0.091 0.000 1.167 453 Y HN 0.456 nan 8.280 nan 0.000 0.509 454 Y N 4.909 124.706 120.300 -0.838 0.000 2.996 454 Y HA 0.242 4.790 4.550 -0.002 0.000 0.347 454 Y C 1.056 176.724 175.900 -0.387 0.000 1.276 454 Y CA 0.406 58.136 58.100 -0.616 0.000 1.601 454 Y CB -0.170 38.123 38.460 -0.278 0.000 1.193 454 Y HN 0.951 nan 8.280 nan 0.000 0.582 455 G N 2.869 111.550 108.800 -0.199 0.000 2.317 455 G HA2 -0.365 3.593 3.960 -0.002 0.000 0.227 455 G HA3 -0.365 3.593 3.960 -0.002 0.000 0.227 455 G C 0.786 175.574 174.900 -0.187 0.000 1.042 455 G CA 0.317 45.253 45.100 -0.273 0.000 0.623 455 G HN 0.612 nan 8.290 nan 0.000 0.509 456 D N 1.410 121.722 120.400 -0.146 0.000 2.149 456 D HA -0.061 4.578 4.640 -0.002 0.000 0.198 456 D C 2.474 178.810 176.300 0.061 0.000 0.990 456 D CA 1.532 55.577 54.000 0.075 0.000 0.839 456 D CB -0.141 40.840 40.800 0.302 0.000 0.948 456 D HN 0.735 nan 8.370 nan 0.000 0.460 457 E N 1.025 121.124 120.200 -0.169 0.000 2.338 457 E HA -0.158 4.191 4.350 -0.002 0.000 0.197 457 E C 1.307 177.915 176.600 0.014 0.000 1.007 457 E CA 0.689 56.817 56.400 -0.452 0.000 0.849 457 E CB -0.306 29.060 29.700 -0.558 0.000 0.774 457 E HN 0.438 nan 8.360 nan 0.000 0.506 458 I N -3.405 117.185 120.570 0.034 0.000 3.762 458 I HA 0.601 4.770 4.170 -0.002 0.000 0.333 458 I C 1.066 177.156 176.117 -0.046 0.000 1.566 458 I CA -0.256 61.068 61.300 0.039 0.000 1.129 458 I CB 0.817 38.810 38.000 -0.012 0.000 1.218 458 I HN 0.031 nan 8.210 nan 0.000 0.456 459 G N 0.746 109.493 108.800 -0.088 0.000 2.159 459 G HA2 -0.273 3.685 3.960 -0.002 0.000 0.256 459 G HA3 -0.273 3.685 3.960 -0.002 0.000 0.256 459 G C 0.305 175.090 174.900 -0.191 0.000 0.977 459 G CA 0.191 45.185 45.100 -0.177 0.000 0.652 459 G HN 0.410 nan 8.290 nan 0.000 0.531 460 M N 0.584 120.078 119.600 -0.177 0.000 2.250 460 M HA 0.438 4.917 4.480 -0.002 0.000 0.325 460 M C 0.784 176.990 176.300 -0.156 0.000 1.084 460 M CA 1.289 56.480 55.300 -0.181 0.000 1.161 460 M CB 0.774 33.232 32.600 -0.237 0.000 1.481 460 M HN 0.670 nan 8.290 nan 0.000 0.449 461 A N 1.271 124.011 122.820 -0.133 0.000 2.486 461 A HA 1.032 5.351 4.320 -0.002 0.000 0.289 461 A C -0.399 177.139 177.584 -0.077 0.000 1.176 461 A CA -0.144 51.835 52.037 -0.096 0.000 0.757 461 A CB 1.918 20.857 19.000 -0.102 0.000 1.337 461 A HN 0.972 nan 8.150 nan 0.000 0.423 462 G N -1.980 106.791 108.800 -0.050 0.000 2.368 462 G HA2 0.630 4.588 3.960 -0.002 0.000 0.303 462 G HA3 0.630 4.588 3.960 -0.002 0.000 0.303 462 G C -0.388 174.500 174.900 -0.021 0.000 1.590 462 G CA 0.218 45.292 45.100 -0.043 0.000 0.938 462 G HN 1.889 nan 8.290 nan 0.000 0.675 463 A N 0.202 123.006 122.820 -0.025 0.000 2.260 463 A HA 0.877 5.196 4.320 -0.002 0.000 0.278 463 A C 1.172 178.756 177.584 -0.001 0.000 1.269 463 A CA 0.815 52.843 52.037 -0.014 0.000 0.824 463 A CB 0.318 19.306 19.000 -0.020 0.000 1.238 463 A HN 1.774 nan 8.150 nan 0.000 0.507 464 T N -0.713 113.846 114.554 0.009 0.000 2.766 464 T HA 0.246 4.594 4.350 -0.002 0.000 0.295 464 T C 0.192 174.903 174.700 0.018 0.000 1.024 464 T CA 0.123 62.237 62.100 0.024 0.000 1.018 464 T CB 0.033 68.925 68.868 0.040 0.000 1.002 464 T HN 0.730 nan 8.240 nan 0.000 0.532 465 D N 1.824 122.248 120.400 0.039 0.000 2.877 465 D HA -0.061 4.577 4.640 -0.002 0.000 0.220 465 D C -1.355 174.955 176.300 0.017 0.000 1.089 465 D CA -0.897 53.137 54.000 0.057 0.000 0.811 465 D CB 0.829 41.698 40.800 0.115 0.000 1.162 465 D HN 0.317 nan 8.370 nan 0.000 0.513 466 P HA 0.059 nan 4.420 nan 0.000 0.261 466 P C 0.462 177.704 177.300 -0.097 0.000 1.268 466 P CA -0.009 63.030 63.100 -0.101 0.000 0.833 466 P CB 0.452 32.010 31.700 -0.237 0.000 1.231 467 D N 0.364 120.713 120.400 -0.086 0.000 2.350 467 D HA -0.109 4.530 4.640 -0.002 0.000 0.216 467 D C 1.530 177.797 176.300 -0.055 0.000 0.968 467 D CA 0.732 54.687 54.000 -0.075 0.000 0.894 467 D CB -0.423 40.340 40.800 -0.062 0.000 0.909 467 D HN 0.210 nan 8.370 nan 0.000 0.520 468 C N -1.082 118.208 119.300 -0.017 0.000 2.618 468 C HA 0.336 4.795 4.460 -0.002 0.000 0.264 468 C C 1.428 176.454 174.990 0.060 0.000 1.334 468 C CA -0.650 58.394 59.018 0.042 0.000 1.731 468 C CB -1.084 26.703 27.740 0.079 0.000 1.852 468 C HN 0.025 nan 8.230 nan 0.000 0.566 469 R N 1.316 121.796 120.500 -0.034 0.000 3.179 469 R HA 0.265 4.604 4.340 -0.002 0.000 0.317 469 R C 0.026 176.243 176.300 -0.138 0.000 1.331 469 R CA -0.144 55.895 56.100 -0.102 0.000 1.184 469 R CB -0.052 30.054 30.300 -0.323 0.000 1.408 469 R HN 0.602 nan 8.270 nan 0.000 0.598 470 R N 1.142 121.541 120.500 -0.167 0.000 2.615 470 R HA 0.198 4.536 4.340 -0.002 0.000 0.270 470 R C -2.356 173.693 176.300 -0.419 0.000 1.081 470 R CA -1.981 53.914 56.100 -0.342 0.000 1.154 470 R CB -0.050 30.084 30.300 -0.277 0.000 1.063 470 R HN -0.101 nan 8.270 nan 0.000 0.519 471 P HA -0.097 nan 4.420 nan 0.000 0.264 471 P C -0.261 176.734 177.300 -0.509 0.000 1.183 471 P CA 0.057 62.488 63.100 -1.115 0.000 0.763 471 P CB 0.408 30.980 31.700 -1.879 0.000 0.807 472 M N 4.491 123.995 119.600 -0.160 0.000 2.250 472 M HA 0.080 4.558 4.480 -0.002 0.000 0.337 472 M C -0.642 175.517 176.300 -0.235 0.000 1.161 472 M CA 0.628 55.853 55.300 -0.126 0.000 1.088 472 M CB -0.430 32.016 32.600 -0.257 0.000 1.639 472 M HN 0.202 nan 8.290 nan 0.000 0.447 473 I N 5.969 126.291 120.570 -0.414 0.000 2.291 473 I HA 0.066 4.235 4.170 -0.002 0.000 0.292 473 I C -0.402 175.420 176.117 -0.491 0.000 1.064 473 I CA 0.185 61.306 61.300 -0.298 0.000 1.269 473 I CB 0.444 38.316 38.000 -0.213 0.000 1.418 473 I HN 0.908 nan 8.210 nan 0.000 0.485 474 W N 2.724 123.982 121.300 -0.070 0.000 2.907 474 W HA 0.096 4.754 4.660 -0.002 0.000 0.271 474 W C 0.637 177.064 176.519 -0.152 0.000 1.253 474 W CA -0.431 56.796 57.345 -0.197 0.000 1.501 474 W CB 0.419 29.727 29.460 -0.254 0.000 1.047 474 W HN 0.329 nan 8.180 nan 0.000 0.610 475 E N 1.487 121.745 120.200 0.097 0.000 2.341 475 E HA -0.078 4.270 4.350 -0.002 0.000 0.256 475 E C 0.957 177.562 176.600 0.009 0.000 1.125 475 E CA 0.300 56.728 56.400 0.046 0.000 0.939 475 E CB 0.381 30.104 29.700 0.039 0.000 0.991 475 E HN 0.125 nan 8.360 nan 0.000 0.458 476 E N 3.894 124.100 120.200 0.009 0.000 2.136 476 E HA -0.336 4.013 4.350 -0.002 0.000 0.202 476 E C 1.503 178.099 176.600 -0.008 0.000 1.019 476 E CA 1.764 58.160 56.400 -0.006 0.000 0.819 476 E CB 0.133 29.832 29.700 -0.001 0.000 0.739 476 E HN 0.424 nan 8.360 nan 0.000 0.458 477 K N -0.040 120.359 120.400 -0.002 0.000 2.283 477 K HA -0.140 4.178 4.320 -0.002 0.000 0.202 477 K C 1.022 177.616 176.600 -0.009 0.000 1.048 477 K CA 1.336 57.622 56.287 -0.002 0.000 0.948 477 K CB 0.081 32.581 32.500 0.002 0.000 0.742 477 K HN 0.247 nan 8.250 nan 0.000 0.458 478 E N 0.057 120.247 120.200 -0.016 0.000 2.474 478 E HA 0.012 4.361 4.350 -0.002 0.000 0.195 478 E C -0.267 176.305 176.600 -0.047 0.000 1.039 478 E CA -0.048 56.335 56.400 -0.028 0.000 0.881 478 E CB 0.605 30.289 29.700 -0.026 0.000 0.970 478 E HN 0.335 nan 8.360 nan 0.000 0.486 479 Q N 1.091 120.864 119.800 -0.045 0.000 2.222 479 Q HA 0.209 4.548 4.340 -0.002 0.000 0.252 479 Q C -0.198 175.793 176.000 -0.015 0.000 0.926 479 Q CA -0.637 55.135 55.803 -0.052 0.000 0.899 479 Q CB 0.991 29.685 28.738 -0.074 0.000 1.250 479 Q HN -0.096 nan 8.270 nan 0.000 0.441 480 N N 2.143 120.843 118.700 0.000 0.000 2.605 480 N HA 0.010 4.748 4.740 -0.002 0.000 0.258 480 N C 0.306 175.883 175.510 0.111 0.000 1.156 480 N CA 0.074 53.147 53.050 0.037 0.000 1.008 480 N CB 0.373 38.871 38.487 0.019 0.000 1.354 480 N HN 0.469 nan 8.380 nan 0.000 0.509 481 R N 1.990 122.554 120.500 0.106 0.000 2.115 481 R HA -0.031 4.307 4.340 -0.002 0.000 0.230 481 R C 1.762 178.210 176.300 0.246 0.000 1.111 481 R CA 1.038 57.244 56.100 0.178 0.000 0.976 481 R CB -0.913 29.457 30.300 0.117 0.000 0.870 481 R HN 0.554 nan 8.270 nan 0.000 0.445 482 G N 1.492 110.395 108.800 0.173 0.000 2.418 482 G HA2 -0.245 3.713 3.960 -0.002 0.000 0.217 482 G HA3 -0.245 3.713 3.960 -0.002 0.000 0.217 482 G C 1.454 176.499 174.900 0.242 0.000 1.158 482 G CA 0.453 45.655 45.100 0.170 0.000 0.771 482 G HN 0.249 nan 8.290 nan 0.000 0.545 483 L N -0.318 121.058 121.223 0.255 0.000 2.056 483 L HA 0.149 4.487 4.340 -0.002 0.000 0.207 483 L C 2.454 179.633 176.870 0.516 0.000 1.078 483 L CA 1.586 56.656 54.840 0.383 0.000 0.749 483 L CB -0.665 41.585 42.059 0.318 0.000 0.901 483 L HN 0.253 nan 8.230 nan 0.000 0.433 484 F N 0.277 120.371 119.950 0.241 0.000 2.095 484 F HA -0.222 4.303 4.527 -0.002 0.000 0.298 484 F C 2.355 178.281 175.800 0.210 0.000 1.104 484 F CA 1.815 59.924 58.000 0.182 0.000 1.232 484 F CB -0.033 39.041 39.000 0.123 0.000 0.987 484 F HN 0.143 nan 8.300 nan 0.000 0.475 485 E N -0.087 120.264 120.200 0.252 0.000 2.204 485 E HA -0.220 4.129 4.350 -0.002 0.000 0.194 485 E C 2.069 178.752 176.600 0.138 0.000 0.989 485 E CA 1.043 57.517 56.400 0.123 0.000 0.824 485 E CB -0.744 29.071 29.700 0.192 0.000 0.756 485 E HN 0.578 nan 8.360 nan 0.000 0.477 486 F N 0.291 120.296 119.950 0.093 0.000 2.075 486 F HA -0.282 4.243 4.527 -0.002 0.000 0.297 486 F C 2.149 177.970 175.800 0.034 0.000 1.113 486 F CA 1.270 59.313 58.000 0.073 0.000 1.218 486 F CB -0.208 38.864 39.000 0.120 0.000 0.984 486 F HN -0.056 nan 8.300 nan 0.000 0.472 487 Y N 1.117 121.355 120.300 -0.104 0.000 2.128 487 Y HA -0.263 4.286 4.550 -0.002 0.000 0.284 487 Y C 2.404 178.113 175.900 -0.319 0.000 1.154 487 Y CA 2.099 60.051 58.100 -0.247 0.000 1.149 487 Y CB -0.583 37.797 38.460 -0.132 0.000 0.976 487 Y HN 0.002 nan 8.280 nan 0.000 0.505 488 K N -0.161 120.129 120.400 -0.184 0.000 2.063 488 K HA -0.263 4.056 4.320 -0.002 0.000 0.208 488 K C 2.092 178.590 176.600 -0.170 0.000 1.048 488 K CA 1.830 57.977 56.287 -0.234 0.000 0.928 488 K CB -0.216 32.104 32.500 -0.299 0.000 0.713 488 K HN 0.386 nan 8.250 nan 0.000 0.442 489 E N 1.011 121.114 120.200 -0.162 0.000 2.072 489 E HA -0.162 4.187 4.350 -0.002 0.000 0.191 489 E C 1.993 178.464 176.600 -0.216 0.000 0.985 489 E CA 0.773 57.084 56.400 -0.148 0.000 0.801 489 E CB 0.058 29.699 29.700 -0.099 0.000 0.750 489 E HN 0.214 nan 8.360 nan 0.000 0.452 490 L N 0.596 121.615 121.223 -0.340 0.000 2.046 490 L HA -0.180 4.159 4.340 -0.002 0.000 0.208 490 L C 2.531 179.222 176.870 -0.299 0.000 1.077 490 L CA 0.914 55.534 54.840 -0.365 0.000 0.747 490 L CB -0.320 41.409 42.059 -0.551 0.000 0.896 490 L HN 0.252 nan 8.230 nan 0.000 0.432 491 I N -0.633 119.768 120.570 -0.280 0.000 2.252 491 I HA -0.264 3.905 4.170 -0.002 0.000 0.245 491 I C 2.754 178.663 176.117 -0.346 0.000 1.102 491 I CA 1.145 62.252 61.300 -0.322 0.000 1.385 491 I CB -0.294 37.589 38.000 -0.196 0.000 1.064 491 I HN 0.211 nan 8.210 nan 0.000 0.414 492 R N 0.565 120.968 120.500 -0.162 0.000 2.081 492 R HA -0.114 4.224 4.340 -0.002 0.000 0.235 492 R C 2.338 178.574 176.300 -0.107 0.000 1.131 492 R CA 1.203 57.269 56.100 -0.057 0.000 0.960 492 R CB -0.425 29.846 30.300 -0.049 0.000 0.856 492 R HN 0.351 nan 8.270 nan 0.000 0.436 493 L N 0.196 121.325 121.223 -0.157 0.000 2.046 493 L HA -0.180 4.159 4.340 -0.002 0.000 0.208 493 L C 2.827 179.593 176.870 -0.174 0.000 1.077 493 L CA 1.315 56.059 54.840 -0.160 0.000 0.747 493 L CB -0.411 41.559 42.059 -0.150 0.000 0.896 493 L HN 0.182 nan 8.230 nan 0.000 0.432 494 R N -0.775 119.586 120.500 -0.232 0.000 2.083 494 R HA -0.194 4.145 4.340 -0.002 0.000 0.237 494 R C 2.409 178.596 176.300 -0.189 0.000 1.137 494 R CA 1.562 57.515 56.100 -0.244 0.000 0.951 494 R CB -0.191 29.900 30.300 -0.348 0.000 0.851 494 R HN 0.431 nan 8.270 nan 0.000 0.434 495 H N -0.690 118.322 119.070 -0.097 0.000 2.457 495 H HA -0.038 4.517 4.556 -0.002 0.000 0.294 495 H C 2.006 177.274 175.328 -0.101 0.000 1.064 495 H CA 1.115 57.112 56.048 -0.085 0.000 1.330 495 H CB -0.033 29.683 29.762 -0.077 0.000 1.395 495 H HN 0.224 nan 8.280 nan 0.000 0.541 496 R N 0.141 120.627 120.500 -0.023 0.000 2.127 496 R HA 0.110 4.449 4.340 -0.002 0.000 0.217 496 R C 0.159 176.354 176.300 -0.175 0.000 1.074 496 R CA 0.228 56.264 56.100 -0.107 0.000 0.991 496 R CB 0.288 30.498 30.300 -0.151 0.000 0.895 496 R HN 0.068 nan 8.270 nan 0.000 0.450 497 L N 0.502 121.622 121.223 -0.172 0.000 2.277 497 L HA 0.338 4.677 4.340 -0.002 0.000 0.284 497 L C 1.001 177.813 176.870 -0.095 0.000 1.028 497 L CA -0.605 54.125 54.840 -0.183 0.000 0.835 497 L CB 1.769 43.710 42.059 -0.195 0.000 1.215 497 L HN 0.123 nan 8.230 nan 0.000 0.425 498 A N 2.199 124.976 122.820 -0.071 0.000 1.948 498 A HA -0.227 4.092 4.320 -0.002 0.000 0.220 498 A C 2.339 179.899 177.584 -0.040 0.000 1.177 498 A CA 2.318 54.329 52.037 -0.043 0.000 0.636 498 A CB -0.484 18.498 19.000 -0.030 0.000 0.815 498 A HN 0.825 nan 8.150 nan 0.000 0.449 499 S N -0.073 115.609 115.700 -0.030 0.000 2.419 499 S HA -0.053 4.415 4.470 -0.002 0.000 0.233 499 S C 1.724 176.309 174.600 -0.026 0.000 1.016 499 S CA 1.355 59.538 58.200 -0.029 0.000 0.974 499 S CB -0.661 62.533 63.200 -0.009 0.000 0.786 499 S HN 0.488 nan 8.310 nan 0.000 0.492 500 L N 1.677 122.883 121.223 -0.029 0.000 2.291 500 L HA -0.021 4.318 4.340 -0.002 0.000 0.214 500 L C 2.875 179.704 176.870 -0.068 0.000 1.120 500 L CA 1.506 56.326 54.840 -0.033 0.000 0.799 500 L CB -0.940 41.090 42.059 -0.049 0.000 0.925 500 L HN 0.645 nan 8.230 nan 0.000 0.446 501 T N -4.196 110.318 114.554 -0.067 0.000 3.038 501 T HA 0.053 4.402 4.350 -0.002 0.000 0.244 501 T C 1.777 176.429 174.700 -0.080 0.000 1.016 501 T CA -0.144 61.911 62.100 -0.075 0.000 1.098 501 T CB 0.116 68.957 68.868 -0.045 0.000 0.954 501 T HN 0.161 nan 8.240 nan 0.000 0.469 502 R N 1.022 121.481 120.500 -0.068 0.000 2.508 502 R HA 0.427 4.766 4.340 -0.002 0.000 0.300 502 R C 0.976 177.231 176.300 -0.074 0.000 0.970 502 R CA -0.250 55.807 56.100 -0.072 0.000 1.102 502 R CB 0.922 31.188 30.300 -0.056 0.000 1.246 502 R HN 0.437 nan 8.270 nan 0.000 0.539 503 G N 0.746 109.503 108.800 -0.072 0.000 2.504 503 G HA2 0.105 4.063 3.960 -0.002 0.000 0.288 503 G HA3 0.105 4.063 3.960 -0.002 0.000 0.288 503 G C -0.248 174.604 174.900 -0.079 0.000 1.182 503 G CA -0.700 44.357 45.100 -0.071 0.000 0.894 503 G HN 0.342 nan 8.290 nan 0.000 0.521 504 N N -2.272 116.386 118.700 -0.070 0.000 2.374 504 N HA 0.476 5.215 4.740 -0.002 0.000 0.284 504 N C -0.956 174.525 175.510 -0.049 0.000 1.280 504 N CA -0.761 52.248 53.050 -0.069 0.000 0.963 504 N CB 1.586 40.044 38.487 -0.047 0.000 1.141 504 N HN 0.467 nan 8.380 nan 0.000 0.565 505 V N -0.597 119.292 119.914 -0.042 0.000 2.888 505 V HA 0.562 4.681 4.120 -0.002 0.000 0.309 505 V C -1.500 174.636 176.094 0.070 0.000 1.114 505 V CA -0.684 61.630 62.300 0.023 0.000 0.940 505 V CB 1.823 33.583 31.823 -0.105 0.000 1.021 505 V HN 0.754 nan 8.190 nan 0.000 0.426 506 R N 3.239 123.834 120.500 0.158 0.000 2.651 506 R HA 0.524 4.862 4.340 -0.002 0.000 0.278 506 R C -0.642 175.804 176.300 0.243 0.000 1.010 506 R CA -0.641 55.550 56.100 0.151 0.000 0.896 506 R CB 2.124 32.485 30.300 0.102 0.000 1.211 506 R HN 0.753 nan 8.270 nan 0.000 0.456 507 S N 1.169 117.007 115.700 0.229 0.000 2.562 507 S HA 0.062 4.531 4.470 -0.002 0.000 0.281 507 S C 0.157 174.933 174.600 0.293 0.000 1.333 507 S CA -0.211 58.153 58.200 0.274 0.000 1.052 507 S CB 0.666 64.002 63.200 0.226 0.000 0.884 507 S HN 0.641 nan 8.310 nan 0.000 0.506 508 W N 2.441 123.770 121.300 0.047 0.000 3.298 508 W HA 0.278 4.937 4.660 -0.002 0.000 0.239 508 W C 0.369 176.930 176.519 0.070 0.000 1.082 508 W CA 0.695 58.055 57.345 0.027 0.000 1.711 508 W CB -0.032 29.409 29.460 -0.033 0.000 0.944 508 W HN 0.728 nan 8.180 nan 0.000 0.712 509 H N -0.363 118.717 119.070 0.017 0.000 3.085 509 H HA 0.520 5.075 4.556 -0.002 0.000 0.356 509 H C -1.715 173.594 175.328 -0.032 0.000 1.178 509 H CA 0.141 56.128 56.048 -0.101 0.000 1.214 509 H CB 1.736 31.294 29.762 -0.341 0.000 1.881 509 H HN -0.056 nan 8.280 nan 0.000 0.538 510 A N 4.010 126.605 122.820 -0.376 0.000 2.442 510 A HA 0.312 4.630 4.320 -0.002 0.000 0.284 510 A C -1.581 175.846 177.584 -0.263 0.000 1.058 510 A CA -0.688 51.300 52.037 -0.082 0.000 0.738 510 A CB 1.214 20.270 19.000 0.093 0.000 1.242 510 A HN 0.576 nan 8.150 nan 0.000 0.421 511 D N 2.778 123.122 120.400 -0.094 0.000 2.462 511 D HA 0.213 4.851 4.640 -0.002 0.000 0.245 511 D C 1.015 177.293 176.300 -0.036 0.000 1.122 511 D CA -0.445 53.512 54.000 -0.073 0.000 0.864 511 D CB 1.402 42.252 40.800 0.084 0.000 1.098 511 D HN 0.590 nan 8.370 nan 0.000 0.541 512 K N 2.879 123.185 120.400 -0.156 0.000 2.209 512 K HA -0.181 4.137 4.320 -0.002 0.000 0.204 512 K C 1.356 177.850 176.600 -0.178 0.000 1.048 512 K CA 1.121 57.215 56.287 -0.322 0.000 0.940 512 K CB 0.037 32.025 32.500 -0.853 0.000 0.729 512 K HN 0.436 nan 8.250 nan 0.000 0.451 513 Q N 0.409 120.141 119.800 -0.113 0.000 2.123 513 Q HA 0.092 4.431 4.340 -0.002 0.000 0.196 513 Q C 2.035 178.018 176.000 -0.028 0.000 0.958 513 Q CA 1.007 56.771 55.803 -0.065 0.000 0.841 513 Q CB -0.124 28.579 28.738 -0.058 0.000 0.915 513 Q HN 0.347 nan 8.270 nan 0.000 0.455 514 A N 1.233 124.048 122.820 -0.008 0.000 2.178 514 A HA -0.007 4.311 4.320 -0.002 0.000 0.211 514 A C 0.677 178.274 177.584 0.022 0.000 1.157 514 A CA 0.509 52.547 52.037 0.002 0.000 0.780 514 A CB -0.365 18.645 19.000 0.016 0.000 0.828 514 A HN 0.544 nan 8.150 nan 0.000 0.476 515 N N -2.048 116.687 118.700 0.060 0.000 2.735 515 N HA -0.140 4.599 4.740 -0.002 0.000 0.248 515 N C -1.083 174.545 175.510 0.197 0.000 1.083 515 N CA 0.472 53.605 53.050 0.137 0.000 0.703 515 N CB -1.615 36.918 38.487 0.077 0.000 1.005 515 N HN 0.297 nan 8.380 nan 0.000 0.550 516 L N 0.840 122.178 121.223 0.192 0.000 2.309 516 L HA 0.529 4.867 4.340 -0.002 0.000 0.282 516 L C -0.160 176.913 176.870 0.339 0.000 1.036 516 L CA -0.525 54.449 54.840 0.223 0.000 0.806 516 L CB 1.183 43.314 42.059 0.120 0.000 1.220 516 L HN 0.232 nan 8.230 nan 0.000 0.429 517 Y N 2.899 123.346 120.300 0.245 0.000 2.442 517 Y HA 0.810 5.359 4.550 -0.002 0.000 0.344 517 Y C -0.883 175.201 175.900 0.308 0.000 0.976 517 Y CA -0.770 57.483 58.100 0.254 0.000 1.040 517 Y CB 1.726 40.321 38.460 0.225 0.000 1.228 517 Y HN 0.673 nan 8.280 nan 0.000 0.451 518 A N 5.967 128.457 122.820 -0.550 0.000 2.486 518 A HA 0.802 5.120 4.320 -0.002 0.000 0.300 518 A C -1.950 175.532 177.584 -0.171 0.000 1.048 518 A CA -0.555 51.299 52.037 -0.305 0.000 0.696 518 A CB 0.877 19.734 19.000 -0.238 0.000 1.278 518 A HN 0.895 nan 8.150 nan 0.000 0.405 519 F N -0.241 119.739 119.950 0.049 0.000 2.629 519 F HA 0.863 5.389 4.527 -0.002 0.000 0.316 519 F C -1.138 174.797 175.800 0.226 0.000 1.081 519 F CA -1.371 56.734 58.000 0.175 0.000 0.954 519 F CB 1.335 40.487 39.000 0.254 0.000 1.337 519 F HN 0.348 nan 8.300 nan 0.000 0.474 520 V N 2.302 122.365 119.914 0.247 0.000 2.604 520 V HA 0.611 4.730 4.120 -0.002 0.000 0.305 520 V C -0.600 175.603 176.094 0.182 0.000 1.043 520 V CA -0.824 61.495 62.300 0.032 0.000 0.888 520 V CB 1.800 33.516 31.823 -0.178 0.000 0.995 520 V HN 0.691 nan 8.190 nan 0.000 0.429 521 R N 2.315 122.900 120.500 0.142 0.000 2.393 521 R HA 0.748 5.087 4.340 -0.002 0.000 0.310 521 R C -0.628 175.676 176.300 0.007 0.000 0.968 521 R CA -0.401 55.765 56.100 0.109 0.000 0.867 521 R CB 1.745 32.121 30.300 0.127 0.000 1.124 521 R HN 0.754 nan 8.270 nan 0.000 0.450 522 T N 0.900 115.415 114.554 -0.065 0.000 2.916 522 T HA 0.482 4.830 4.350 -0.002 0.000 0.298 522 T C -1.189 173.407 174.700 -0.172 0.000 1.031 522 T CA -0.635 61.334 62.100 -0.220 0.000 0.993 522 T CB 2.186 70.867 68.868 -0.311 0.000 1.045 522 T HN 0.273 nan 8.240 nan 0.000 0.454 523 V N 3.554 123.350 119.914 -0.195 0.000 2.789 523 V HA 0.520 4.639 4.120 -0.002 0.000 0.300 523 V C -0.454 175.569 176.094 -0.119 0.000 1.184 523 V CA -0.194 62.033 62.300 -0.121 0.000 0.930 523 V CB 1.452 33.228 31.823 -0.078 0.000 1.041 523 V HN 0.982 nan 8.190 nan 0.000 0.430 524 Q N 3.767 123.513 119.800 -0.089 0.000 1.308 524 Q HA -0.263 4.076 4.340 -0.002 0.000 0.337 524 Q C 0.535 176.490 176.000 -0.075 0.000 0.978 524 Q CA 2.501 58.269 55.803 -0.060 0.000 0.716 524 Q CB -0.947 27.769 28.738 -0.037 0.000 4.272 524 Q HN 1.001 nan 8.270 nan 0.000 0.541 525 D N -0.032 120.344 120.400 -0.040 0.000 2.349 525 D HA 0.074 4.712 4.640 -0.002 0.000 0.215 525 D C 0.054 176.351 176.300 -0.006 0.000 1.016 525 D CA 0.461 54.458 54.000 -0.006 0.000 0.870 525 D CB 0.144 40.941 40.800 -0.005 0.000 0.917 525 D HN 0.244 nan 8.370 nan 0.000 0.524 526 Q N 1.137 120.899 119.800 -0.063 0.000 2.286 526 Q HA 0.106 4.444 4.340 -0.002 0.000 0.257 526 Q C -0.861 175.038 176.000 -0.168 0.000 0.941 526 Q CA -0.160 55.631 55.803 -0.021 0.000 0.912 526 Q CB 0.503 29.289 28.738 0.079 0.000 1.192 526 Q HN 0.235 nan 8.270 nan 0.000 0.410 527 H N 2.708 121.762 119.070 -0.027 0.000 2.689 527 H HA 0.404 4.958 4.556 -0.002 0.000 0.346 527 H C -1.327 174.089 175.328 0.147 0.000 1.037 527 H CA -0.592 55.476 56.048 0.034 0.000 1.234 527 H CB 1.907 31.695 29.762 0.042 0.000 1.572 527 H HN 0.378 nan 8.280 nan 0.000 0.524 528 V N 2.675 122.746 119.914 0.262 0.000 2.443 528 V HA 0.362 4.481 4.120 -0.002 0.000 0.293 528 V C 0.457 176.635 176.094 0.140 0.000 1.021 528 V CA -0.814 61.649 62.300 0.272 0.000 0.848 528 V CB 1.740 33.676 31.823 0.189 0.000 0.998 528 V HN 0.918 nan 8.190 nan 0.000 0.424 529 G N 3.687 112.574 108.800 0.145 0.000 2.322 529 G HA2 0.572 4.531 3.960 -0.002 0.000 0.309 529 G HA3 0.572 4.531 3.960 -0.002 0.000 0.309 529 G C -0.817 174.134 174.900 0.084 0.000 1.121 529 G CA -0.359 44.716 45.100 -0.042 0.000 0.886 529 G HN 0.530 nan 8.290 nan 0.000 0.447 530 V N 3.075 122.874 119.914 -0.192 0.000 2.370 530 V HA 0.385 4.503 4.120 -0.002 0.000 0.283 530 V C -0.156 175.868 176.094 -0.118 0.000 1.023 530 V CA -0.645 61.503 62.300 -0.253 0.000 0.857 530 V CB 1.482 32.900 31.823 -0.675 0.000 0.985 530 V HN 0.517 nan 8.190 nan 0.000 0.443 531 V N 6.695 126.624 119.914 0.025 0.000 2.409 531 V HA 0.500 4.619 4.120 -0.002 0.000 0.291 531 V C -0.291 175.879 176.094 0.126 0.000 1.020 531 V CA -0.497 61.806 62.300 0.005 0.000 0.848 531 V CB 1.627 33.380 31.823 -0.116 0.000 0.990 531 V HN 0.649 nan 8.190 nan 0.000 0.430 532 L N 4.372 125.734 121.223 0.232 0.000 2.298 532 L HA 0.525 4.863 4.340 -0.002 0.000 0.284 532 L C 0.403 177.425 176.870 0.254 0.000 1.013 532 L CA -0.236 54.805 54.840 0.336 0.000 0.824 532 L CB 1.322 43.740 42.059 0.598 0.000 1.221 532 L HN 0.676 nan 8.230 nan 0.000 0.418 533 N N 2.546 121.343 118.700 0.161 0.000 2.868 533 N HA 0.009 4.748 4.740 -0.002 0.000 0.252 533 N C 0.079 175.600 175.510 0.019 0.000 1.130 533 N CA -0.335 52.750 53.050 0.059 0.000 1.026 533 N CB 0.374 38.854 38.487 -0.012 0.000 1.335 533 N HN 0.521 nan 8.380 nan 0.000 0.516 534 N N 2.495 121.229 118.700 0.057 0.000 3.210 534 N HA 0.025 4.764 4.740 -0.002 0.000 0.314 534 N C -1.046 174.336 175.510 -0.214 0.000 1.291 534 N CA 0.151 53.175 53.050 -0.044 0.000 1.202 534 N CB -0.187 38.081 38.487 -0.366 0.000 1.475 534 N HN 0.534 nan 8.380 nan 0.000 0.554 535 R N -1.082 119.130 120.500 -0.479 0.000 2.626 535 R HA 0.411 4.749 4.340 -0.002 0.000 0.274 535 R C 0.199 175.919 176.300 -0.968 0.000 1.031 535 R CA -0.787 54.998 56.100 -0.526 0.000 0.898 535 R CB 0.926 31.075 30.300 -0.252 0.000 1.222 535 R HN 0.211 nan 8.270 nan 0.000 0.455 536 G N 2.451 110.845 108.800 -0.676 0.000 3.375 536 G HA2 0.041 3.999 3.960 -0.002 0.000 0.247 536 G HA3 0.041 3.999 3.960 -0.002 0.000 0.247 536 G C -0.297 174.475 174.900 -0.214 0.000 1.343 536 G CA 0.347 45.197 45.100 -0.417 0.000 1.368 536 G HN 0.380 nan 8.290 nan 0.000 0.549 537 E N 0.101 120.149 120.200 -0.253 0.000 2.308 537 E HA 0.201 4.549 4.350 -0.002 0.000 0.275 537 E C -0.763 175.760 176.600 -0.127 0.000 0.890 537 E CA -0.745 55.572 56.400 -0.138 0.000 0.754 537 E CB 1.916 31.554 29.700 -0.104 0.000 1.207 537 E HN 0.207 nan 8.360 nan 0.000 0.426 538 K N 2.701 123.053 120.400 -0.080 0.000 2.412 538 K HA 0.092 4.411 4.320 -0.002 0.000 0.281 538 K C -0.460 176.103 176.600 -0.063 0.000 1.027 538 K CA 0.477 56.726 56.287 -0.063 0.000 0.989 538 K CB 0.554 33.031 32.500 -0.038 0.000 0.935 538 K HN 0.399 nan 8.250 nan 0.000 0.475 539 Q N 1.850 121.612 119.800 -0.063 0.000 2.501 539 Q HA 0.346 4.684 4.340 -0.002 0.000 0.288 539 Q C -1.259 174.702 176.000 -0.065 0.000 1.051 539 Q CA -1.078 54.687 55.803 -0.063 0.000 0.788 539 Q CB 2.599 31.295 28.738 -0.070 0.000 1.469 539 Q HN 0.540 nan 8.270 nan 0.000 0.416 540 T N 0.738 115.250 114.554 -0.069 0.000 2.876 540 T HA 0.629 4.978 4.350 -0.002 0.000 0.289 540 T C -1.456 173.179 174.700 -0.108 0.000 1.014 540 T CA -0.553 61.499 62.100 -0.080 0.000 0.986 540 T CB 1.814 70.646 68.868 -0.061 0.000 1.021 540 T HN 0.337 nan 8.240 nan 0.000 0.458 541 V N 3.674 123.498 119.914 -0.150 0.000 3.049 541 V HA 0.645 4.764 4.120 -0.002 0.000 0.309 541 V C -1.845 174.111 176.094 -0.229 0.000 1.148 541 V CA -0.952 61.221 62.300 -0.212 0.000 0.990 541 V CB 2.169 33.796 31.823 -0.325 0.000 1.039 541 V HN 0.651 nan 8.190 nan 0.000 0.430 542 L N 5.943 127.028 121.223 -0.230 0.000 2.294 542 L HA 0.593 4.931 4.340 -0.002 0.000 0.283 542 L C -0.621 176.090 176.870 -0.265 0.000 1.015 542 L CA -0.104 54.619 54.840 -0.196 0.000 0.831 542 L CB 1.166 43.157 42.059 -0.114 0.000 1.217 542 L HN 0.584 nan 8.230 nan 0.000 0.420 543 L N 2.834 123.870 121.223 -0.313 0.000 2.325 543 L HA 0.419 4.757 4.340 -0.002 0.000 0.278 543 L C 0.069 176.879 176.870 -0.099 0.000 1.023 543 L CA -0.981 53.641 54.840 -0.363 0.000 0.811 543 L CB 1.973 43.543 42.059 -0.814 0.000 1.249 543 L HN 0.478 nan 8.230 nan 0.000 0.431 544 Q N 1.111 120.935 119.800 0.039 0.000 2.332 544 Q HA 0.185 4.524 4.340 -0.002 0.000 0.263 544 Q C -0.669 175.464 176.000 0.221 0.000 0.979 544 Q CA -0.051 55.824 55.803 0.119 0.000 0.885 544 Q CB 1.323 30.142 28.738 0.135 0.000 1.218 544 Q HN 0.354 nan 8.270 nan 0.000 0.405 545 V N 7.801 127.766 119.914 0.086 0.000 2.509 545 V HA 0.048 4.166 4.120 -0.002 0.000 0.297 545 V C -1.750 174.319 176.094 -0.042 0.000 1.014 545 V CA -0.926 61.371 62.300 -0.004 0.000 1.127 545 V CB -0.101 31.739 31.823 0.030 0.000 0.925 545 V HN 0.841 nan 8.190 nan 0.000 0.480 546 P HA -0.030 nan 4.420 nan 0.000 0.265 546 P C 0.057 177.242 177.300 -0.192 0.000 1.187 546 P CA -0.129 62.742 63.100 -0.382 0.000 0.766 546 P CB 0.430 31.654 31.700 -0.793 0.000 0.820 547 E N 2.487 122.612 120.200 -0.126 0.000 3.072 547 E HA -0.099 4.250 4.350 -0.002 0.000 0.241 547 E C 0.128 176.642 176.600 -0.142 0.000 0.962 547 E CA 0.485 56.845 56.400 -0.066 0.000 0.955 547 E CB -0.533 29.170 29.700 0.005 0.000 0.899 547 E HN 0.497 nan 8.360 nan 0.000 0.547 548 S N 2.456 118.086 115.700 -0.117 0.000 3.631 548 S HA -0.199 4.269 4.470 -0.002 0.000 0.366 548 S C 0.673 175.039 174.600 -0.390 0.000 0.993 548 S CA 0.749 58.867 58.200 -0.136 0.000 1.167 548 S CB -1.353 61.839 63.200 -0.014 0.000 0.909 548 S HN 0.849 nan 8.310 nan 0.000 0.478 549 G N 0.037 108.603 108.800 -0.391 0.000 2.743 549 G HA2 0.554 4.512 3.960 -0.002 0.000 0.206 549 G HA3 0.554 4.512 3.960 -0.002 0.000 0.206 549 G C 0.987 175.726 174.900 -0.269 0.000 1.115 549 G CA 0.704 45.522 45.100 -0.471 0.000 0.782 549 G HN 1.841 nan 8.290 nan 0.000 0.524 550 G N 0.089 108.844 108.800 -0.075 0.000 2.423 550 G HA2 0.162 4.120 3.960 -0.002 0.000 0.684 550 G HA3 0.162 4.120 3.960 -0.002 0.000 0.684 550 G C 0.145 175.104 174.900 0.099 0.000 1.309 550 G CA 0.227 45.254 45.100 -0.121 0.000 0.950 550 G HN 0.756 nan 8.290 nan 0.000 0.587 551 K N -1.379 119.038 120.400 0.028 0.000 2.358 551 K HA 0.469 4.787 4.320 -0.002 0.000 0.197 551 K C 0.813 177.483 176.600 0.116 0.000 1.025 551 K CA 0.956 57.332 56.287 0.148 0.000 1.104 551 K CB 0.919 33.477 32.500 0.097 0.000 0.855 551 K HN 0.847 nan 8.250 nan 0.000 0.531 552 T N 0.386 114.855 114.554 -0.140 0.000 2.809 552 T HA 0.557 4.906 4.350 -0.002 0.000 0.284 552 T C -1.824 172.582 174.700 -0.491 0.000 0.992 552 T CA -0.612 61.311 62.100 -0.294 0.000 0.957 552 T CB 0.249 68.905 68.868 -0.354 0.000 0.942 552 T HN 0.318 nan 8.240 nan 0.000 0.439 553 W N 3.775 124.917 121.300 -0.263 0.000 2.781 553 W HA 0.762 5.421 4.660 -0.002 0.000 0.345 553 W C -0.941 175.517 176.519 -0.101 0.000 1.085 553 W CA -1.030 56.217 57.345 -0.164 0.000 1.198 553 W CB 1.605 31.026 29.460 -0.066 0.000 1.423 553 W HN 0.539 nan 8.180 nan 0.000 0.532 554 L N 2.728 124.062 121.223 0.184 0.000 2.406 554 L HA 0.406 4.744 4.340 -0.002 0.000 0.272 554 L C -0.706 176.318 176.870 0.257 0.000 0.980 554 L CA -0.406 54.552 54.840 0.197 0.000 0.831 554 L CB 1.273 43.462 42.059 0.215 0.000 1.253 554 L HN 0.315 nan 8.230 nan 0.000 0.406 555 D N 3.743 124.262 120.400 0.198 0.000 2.359 555 D HA 0.071 4.710 4.640 -0.002 0.000 0.250 555 D C 0.900 177.291 176.300 0.152 0.000 1.264 555 D CA -0.020 54.085 54.000 0.175 0.000 0.911 555 D CB 0.875 41.756 40.800 0.135 0.000 1.056 555 D HN 0.744 nan 8.370 nan 0.000 0.499 556 C N 3.573 122.964 119.300 0.152 0.000 2.409 556 C HA -0.081 4.378 4.460 -0.002 0.000 0.288 556 C C 2.581 177.608 174.990 0.061 0.000 1.395 556 C CA 0.103 59.177 59.018 0.093 0.000 1.792 556 C CB -0.975 26.786 27.740 0.035 0.000 1.847 556 C HN 0.685 nan 8.230 nan 0.000 0.534 557 L N 0.644 121.912 121.223 0.076 0.000 2.341 557 L HA -0.027 4.312 4.340 -0.002 0.000 0.214 557 L C 2.492 179.412 176.870 0.084 0.000 1.115 557 L CA 1.825 56.711 54.840 0.076 0.000 0.820 557 L CB -0.385 41.735 42.059 0.102 0.000 0.944 557 L HN 0.571 nan 8.230 nan 0.000 0.452 558 T N -6.418 108.188 114.554 0.086 0.000 2.969 558 T HA 0.270 4.619 4.350 -0.002 0.000 0.258 558 T C 1.349 176.095 174.700 0.078 0.000 0.962 558 T CA 0.514 62.663 62.100 0.080 0.000 0.903 558 T CB 1.083 69.999 68.868 0.081 0.000 1.177 558 T HN 0.255 nan 8.240 nan 0.000 0.511 559 G N 1.657 110.509 108.800 0.088 0.000 2.157 559 G HA2 -0.258 3.700 3.960 -0.002 0.000 0.248 559 G HA3 -0.258 3.700 3.960 -0.002 0.000 0.248 559 G C -0.182 174.773 174.900 0.093 0.000 0.979 559 G CA 0.250 45.404 45.100 0.090 0.000 0.650 559 G HN 0.874 nan 8.290 nan 0.000 0.529 560 E N 0.767 121.024 120.200 0.095 0.000 2.376 560 E HA 0.361 4.709 4.350 -0.002 0.000 0.266 560 E C 0.099 176.763 176.600 0.106 0.000 1.009 560 E CA -0.214 56.242 56.400 0.094 0.000 0.902 560 E CB 0.319 30.071 29.700 0.087 0.000 0.972 560 E HN 0.455 nan 8.360 nan 0.000 0.439 561 E N 3.228 123.491 120.200 0.106 0.000 2.197 561 E HA 0.323 4.672 4.350 -0.002 0.000 0.281 561 E C -1.442 175.231 176.600 0.122 0.000 0.995 561 E CA -0.762 55.696 56.400 0.096 0.000 0.808 561 E CB 1.375 31.147 29.700 0.120 0.000 1.093 561 E HN 0.245 nan 8.360 nan 0.000 0.394 562 V N 4.350 124.309 119.914 0.076 0.000 2.531 562 V HA 0.294 4.413 4.120 -0.002 0.000 0.301 562 V C -1.028 175.097 176.094 0.052 0.000 1.034 562 V CA -0.900 61.475 62.300 0.126 0.000 0.865 562 V CB 1.546 33.439 31.823 0.116 0.000 0.995 562 V HN 0.717 nan 8.190 nan 0.000 0.424 563 H N 1.490 120.627 119.070 0.111 0.000 2.499 563 H HA 0.644 5.199 4.556 -0.002 0.000 0.340 563 H C 0.631 176.019 175.328 0.101 0.000 1.148 563 H CA 0.065 56.184 56.048 0.119 0.000 1.215 563 H CB 1.660 31.464 29.762 0.069 0.000 1.529 563 H HN 0.876 nan 8.280 nan 0.000 0.510 564 G N 1.476 110.411 108.800 0.224 0.000 2.360 564 G HA2 0.309 4.268 3.960 -0.002 0.000 0.279 564 G HA3 0.309 4.268 3.960 -0.002 0.000 0.279 564 G C -0.509 174.456 174.900 0.110 0.000 1.189 564 G CA -0.746 44.438 45.100 0.140 0.000 0.941 564 G HN 0.589 nan 8.290 nan 0.000 0.445 565 K N 1.994 122.436 120.400 0.070 0.000 2.281 565 K HA 0.385 4.704 4.320 -0.002 0.000 0.272 565 K C 0.374 176.994 176.600 0.033 0.000 1.048 565 K CA -0.682 55.633 56.287 0.048 0.000 0.898 565 K CB 1.086 33.605 32.500 0.031 0.000 1.128 565 K HN 0.599 nan 8.250 nan 0.000 0.460 566 Q N 2.432 122.252 119.800 0.033 0.000 2.416 566 Q HA -0.247 4.091 4.340 -0.002 0.000 0.319 566 Q C 0.482 176.499 176.000 0.027 0.000 1.318 566 Q CA 0.827 56.645 55.803 0.026 0.000 0.915 566 Q CB -2.188 26.560 28.738 0.017 0.000 1.184 566 Q HN 1.301 nan 8.270 nan 0.000 0.444 567 G N -0.531 108.291 108.800 0.037 0.000 2.176 567 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.252 567 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.252 567 G C -0.147 174.771 174.900 0.031 0.000 1.024 567 G CA 0.662 45.785 45.100 0.038 0.000 0.755 567 G HN 0.434 nan 8.290 nan 0.000 0.507 568 Q N -1.633 118.181 119.800 0.022 0.000 2.511 568 Q HA 0.754 5.092 4.340 -0.002 0.000 0.289 568 Q C -0.767 175.223 176.000 -0.017 0.000 1.021 568 Q CA -0.944 54.858 55.803 -0.002 0.000 0.785 568 Q CB 2.100 30.830 28.738 -0.012 0.000 1.472 568 Q HN 0.232 nan 8.270 nan 0.000 0.411 569 L N 1.591 122.778 121.223 -0.060 0.000 2.376 569 L HA 0.517 4.856 4.340 -0.002 0.000 0.275 569 L C -0.929 175.880 176.870 -0.102 0.000 0.987 569 L CA -0.697 54.096 54.840 -0.078 0.000 0.828 569 L CB 1.753 43.729 42.059 -0.138 0.000 1.249 569 L HN 0.340 nan 8.230 nan 0.000 0.409 570 K N 5.243 125.606 120.400 -0.061 0.000 2.248 570 K HA 0.639 4.957 4.320 -0.002 0.000 0.281 570 K C -1.080 175.478 176.600 -0.071 0.000 1.054 570 K CA -0.321 55.923 56.287 -0.070 0.000 0.903 570 K CB 1.280 33.758 32.500 -0.037 0.000 1.077 570 K HN 0.435 nan 8.250 nan 0.000 0.474 571 L N 2.273 123.431 121.223 -0.107 0.000 2.385 571 L HA 0.390 4.729 4.340 -0.002 0.000 0.273 571 L C -0.409 176.413 176.870 -0.081 0.000 0.990 571 L CA -0.848 53.937 54.840 -0.092 0.000 0.821 571 L CB 2.253 44.228 42.059 -0.140 0.000 1.279 571 L HN 0.526 nan 8.230 nan 0.000 0.412 572 T N 4.381 118.907 114.554 -0.046 0.000 2.772 572 T HA 0.549 4.898 4.350 -0.002 0.000 0.288 572 T C -0.405 174.279 174.700 -0.027 0.000 0.994 572 T CA -0.448 61.629 62.100 -0.038 0.000 0.951 572 T CB 1.067 69.922 68.868 -0.022 0.000 0.933 572 T HN 0.159 nan 8.240 nan 0.000 0.447 573 L N 3.708 124.910 121.223 -0.035 0.000 2.322 573 L HA 0.537 4.876 4.340 -0.002 0.000 0.281 573 L C 0.753 177.610 176.870 -0.021 0.000 1.014 573 L CA -0.685 54.144 54.840 -0.019 0.000 0.815 573 L CB 1.620 43.664 42.059 -0.025 0.000 1.247 573 L HN 0.530 nan 8.230 nan 0.000 0.421 574 R N 2.447 122.947 120.500 -0.001 0.000 2.637 574 R HA 0.322 4.661 4.340 -0.002 0.000 0.269 574 R C -2.229 174.059 176.300 -0.021 0.000 1.089 574 R CA -1.703 54.394 56.100 -0.004 0.000 1.177 574 R CB -0.170 30.142 30.300 0.019 0.000 1.091 574 R HN 0.331 nan 8.270 nan 0.000 0.540 575 P HA -0.127 nan 4.420 nan 0.000 0.260 575 P C -0.931 176.368 177.300 -0.002 0.000 1.172 575 P CA 0.808 63.831 63.100 -0.128 0.000 0.760 575 P CB -0.024 31.645 31.700 -0.052 0.000 0.773 576 Y N -0.946 119.367 120.300 0.022 0.000 4.079 576 Y HA -0.293 4.256 4.550 -0.003 0.000 0.223 576 Y C 1.007 176.941 175.900 0.057 0.000 1.155 576 Y CA 0.417 58.542 58.100 0.041 0.000 1.805 576 Y CB -1.926 36.550 38.460 0.026 0.000 1.571 576 Y HN 0.457 nan 8.280 nan 0.000 0.654 577 Q N 0.924 120.807 119.800 0.137 0.000 2.260 577 Q HA 0.602 4.940 4.340 -0.002 0.000 0.242 577 Q C 0.478 176.568 176.000 0.150 0.000 0.932 577 Q CA 0.117 55.996 55.803 0.127 0.000 0.891 577 Q CB 1.478 30.264 28.738 0.080 0.000 1.222 577 Q HN 0.368 nan 8.270 nan 0.000 0.453 578 G N 2.534 111.435 108.800 0.168 0.000 2.591 578 G HA2 0.616 4.575 3.960 -0.002 0.000 0.306 578 G HA3 0.616 4.575 3.960 -0.002 0.000 0.306 578 G C -1.159 173.830 174.900 0.148 0.000 1.334 578 G CA -0.703 44.508 45.100 0.184 0.000 0.981 578 G HN 0.584 nan 8.290 nan 0.000 0.491 579 M N 1.310 120.983 119.600 0.123 0.000 2.528 579 M HA 0.508 4.987 4.480 -0.002 0.000 0.321 579 M C -0.752 175.617 176.300 0.115 0.000 1.153 579 M CA -0.563 54.803 55.300 0.110 0.000 0.951 579 M CB 2.840 35.491 32.600 0.085 0.000 1.705 579 M HN 0.237 nan 8.290 nan 0.000 0.451 580 I N 4.294 124.938 120.570 0.124 0.000 2.555 580 I HA 0.299 4.468 4.170 -0.002 0.000 0.275 580 I C -1.050 175.184 176.117 0.195 0.000 1.082 580 I CA -0.342 61.033 61.300 0.125 0.000 1.167 580 I CB 0.626 38.677 38.000 0.085 0.000 1.312 580 I HN 0.514 nan 8.210 nan 0.000 0.493 581 L N 4.687 126.063 121.223 0.256 0.000 2.283 581 L HA 0.242 4.580 4.340 -0.002 0.000 0.287 581 L C -0.581 176.618 176.870 0.549 0.000 1.073 581 L CA -0.218 54.861 54.840 0.398 0.000 0.822 581 L CB 0.302 42.607 42.059 0.410 0.000 1.186 581 L HN 0.537 nan 8.230 nan 0.000 0.436 582 W N 5.568 126.995 121.300 0.213 0.000 2.361 582 W HA 0.242 4.901 4.660 -0.002 0.000 0.309 582 W C 1.129 177.539 176.519 -0.182 0.000 1.122 582 W CA -0.994 56.380 57.345 0.047 0.000 1.208 582 W CB 0.778 30.233 29.460 -0.008 0.000 1.246 582 W HN 0.605 nan 8.180 nan 0.000 0.490 583 N N 3.867 122.024 118.700 -0.905 0.000 2.521 583 N HA 0.018 4.757 4.740 -0.002 0.000 0.188 583 N C 1.240 175.891 175.510 -1.433 0.000 1.146 583 N CA 0.961 53.058 53.050 -1.588 0.000 0.893 583 N CB -0.222 37.279 38.487 -1.645 0.000 0.975 583 N HN 0.986 nan 8.380 nan 0.000 0.451 584 G N -0.195 107.210 108.800 -2.324 0.000 2.179 584 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.260 584 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.260 584 G C 0.128 174.383 174.900 -1.075 0.000 0.977 584 G CA 0.289 43.979 45.100 -2.351 0.000 0.641 584 G HN 0.515 nan 8.290 nan 0.000 0.533 585 R N 0.000 120.151 120.500 -0.582 0.000 2.786 585 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 585 R CA 0.000 56.045 56.100 -0.091 0.000 0.921 585 R CB 0.000 30.219 30.300 -0.135 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535