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 1ji2_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 GWRLDVANEV 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 0.000 176.221 176.300 -0.132 0.000 1.140 1 M CA 0.000 55.243 55.300 -0.095 0.000 0.988 1 M CB 0.000 32.540 32.600 -0.100 0.000 1.302 2 L N 3.204 124.350 121.223 -0.129 0.000 2.302 2 L HA 0.410 4.748 4.340 -0.003 0.000 0.285 2 L C 0.305 177.042 176.870 -0.220 0.000 1.090 2 L CA -0.075 54.678 54.840 -0.144 0.000 0.866 2 L CB 0.438 42.438 42.059 -0.098 0.000 1.244 2 L HN 0.901 nan 8.230 nan 0.000 0.435 3 L N 2.183 123.190 121.223 -0.361 0.000 2.131 3 L HA -0.132 4.206 4.340 -0.003 0.000 0.210 3 L C 1.447 178.042 176.870 -0.457 0.000 1.092 3 L CA 0.861 55.275 54.840 -0.709 0.000 0.759 3 L CB -0.250 41.156 42.059 -1.089 0.000 0.903 3 L HN 0.598 nan 8.230 nan 0.000 0.435 4 E N 0.277 120.352 120.200 -0.209 0.000 2.478 4 E HA -0.062 4.286 4.350 -0.003 0.000 0.198 4 E C 1.675 178.291 176.600 0.027 0.000 1.046 4 E CA 0.771 57.145 56.400 -0.044 0.000 0.870 4 E CB -0.018 29.672 29.700 -0.017 0.000 0.818 4 E HN 0.408 nan 8.360 nan 0.000 0.527 5 A N 0.077 122.901 122.820 0.006 0.000 2.390 5 A HA 0.251 4.569 4.320 -0.003 0.000 0.232 5 A C 0.522 178.198 177.584 0.154 0.000 1.233 5 A CA -0.315 51.796 52.037 0.124 0.000 0.907 5 A CB 0.143 19.204 19.000 0.101 0.000 0.967 5 A HN 0.086 nan 8.150 nan 0.000 0.512 6 I N 0.074 120.676 120.570 0.054 0.000 2.365 6 I HA 0.415 4.583 4.170 -0.003 0.000 0.291 6 I C -0.548 175.656 176.117 0.145 0.000 1.004 6 I CA -0.261 61.063 61.300 0.040 0.000 1.311 6 I CB 1.114 39.039 38.000 -0.125 0.000 1.401 6 I HN 0.293 nan 8.210 nan 0.000 0.491 7 F N 6.031 125.980 119.950 -0.001 0.000 2.601 7 F HA 0.617 5.142 4.527 -0.003 0.000 0.309 7 F C -0.764 175.076 175.800 0.066 0.000 1.089 7 F CA -0.386 57.625 58.000 0.018 0.000 0.940 7 F CB 1.613 40.504 39.000 -0.181 0.000 1.273 7 F HN 0.541 nan 8.300 nan 0.000 0.450 8 H N 2.131 120.450 119.070 -1.252 0.000 3.060 8 H HA 0.499 5.052 4.556 -0.003 0.000 0.330 8 H C -2.108 172.487 175.328 -1.222 0.000 1.305 8 H CA -0.471 54.992 56.048 -0.975 0.000 1.209 8 H CB 1.750 31.187 29.762 -0.541 0.000 1.913 8 H HN 0.679 nan 8.280 nan 0.000 0.534 9 E N 2.200 121.456 120.200 -1.573 0.000 2.352 9 E HA 0.586 4.934 4.350 -0.003 0.000 0.280 9 E C -1.275 174.878 176.600 -0.746 0.000 0.930 9 E CA -1.001 54.882 56.400 -0.861 0.000 0.765 9 E CB 1.861 31.368 29.700 -0.321 0.000 1.219 9 E HN 0.658 nan 8.360 nan 0.000 0.434 10 A N 3.547 126.209 122.820 -0.264 0.000 2.810 10 A HA 0.187 4.505 4.320 -0.003 0.000 0.247 10 A C 0.046 177.774 177.584 0.241 0.000 1.576 10 A CA 0.650 52.770 52.037 0.138 0.000 1.294 10 A CB -0.943 18.216 19.000 0.266 0.000 0.976 10 A HN 0.613 nan 8.150 nan 0.000 0.631 11 K N -2.896 117.626 120.400 0.202 0.000 2.756 11 K HA 0.572 4.890 4.320 -0.003 0.000 0.286 11 K C 0.660 177.432 176.600 0.287 0.000 1.029 11 K CA -0.461 55.996 56.287 0.284 0.000 0.791 11 K CB -0.439 32.153 32.500 0.154 0.000 1.481 11 K HN 1.307 nan 8.250 nan 0.000 0.360 12 G N 0.751 109.708 108.800 0.261 0.000 2.651 12 G HA2 -0.359 3.599 3.960 -0.003 0.000 0.315 12 G HA3 -0.359 3.599 3.960 -0.003 0.000 0.315 12 G C 0.617 175.706 174.900 0.315 0.000 1.258 12 G CA 0.748 45.999 45.100 0.253 0.000 1.002 12 G HN 0.760 nan 8.290 nan 0.000 0.551 13 S N -0.109 115.790 115.700 0.331 0.000 2.593 13 S HA 0.289 4.757 4.470 -0.003 0.000 0.217 13 S C 1.344 176.029 174.600 0.141 0.000 0.966 13 S CA 1.212 59.552 58.200 0.233 0.000 0.914 13 S CB 0.039 63.304 63.200 0.109 0.000 0.776 13 S HN 0.484 nan 8.310 nan 0.000 0.523 14 Y N 1.180 121.651 120.300 0.285 0.000 2.462 14 Y HA 0.559 5.107 4.550 -0.004 0.000 0.253 14 Y C 0.821 176.810 175.900 0.149 0.000 1.095 14 Y CA -0.354 57.866 58.100 0.200 0.000 1.283 14 Y CB 0.555 39.059 38.460 0.073 0.000 1.138 14 Y HN 0.198 nan 8.280 nan 0.000 0.522 15 A N 0.266 123.239 122.820 0.256 0.000 2.476 15 A HA 0.675 4.993 4.320 -0.003 0.000 0.280 15 A C -1.806 175.869 177.584 0.152 0.000 1.081 15 A CA -0.529 51.582 52.037 0.123 0.000 0.753 15 A CB 0.064 19.247 19.000 0.306 0.000 1.248 15 A HN 0.245 nan 8.150 nan 0.000 0.424 16 Y N 0.855 121.095 120.300 -0.100 0.000 2.558 16 Y HA 0.820 5.368 4.550 -0.003 0.000 0.333 16 Y C -3.356 172.422 175.900 -0.202 0.000 1.125 16 Y CA -2.713 55.327 58.100 -0.101 0.000 1.039 16 Y CB 1.300 39.795 38.460 0.060 0.000 1.331 16 Y HN 0.385 nan 8.280 nan 0.000 0.456 17 P HA 0.335 nan 4.420 nan 0.000 0.281 17 P C 0.256 177.626 177.300 0.117 0.000 1.249 17 P CA -0.373 62.693 63.100 -0.058 0.000 0.810 17 P CB 2.311 33.982 31.700 -0.048 0.000 1.008 18 I N -0.965 119.621 120.570 0.027 0.000 4.139 18 I HA 0.250 4.418 4.170 -0.003 0.000 0.335 18 I C 0.317 176.453 176.117 0.031 0.000 1.327 18 I CA -0.169 61.170 61.300 0.065 0.000 1.112 18 I CB 0.305 38.320 38.000 0.024 0.000 1.058 18 I HN 0.341 nan 8.210 nan 0.000 0.396 19 S N -0.679 115.025 115.700 0.007 0.000 2.661 19 S HA 0.280 4.748 4.470 -0.003 0.000 0.268 19 S C 0.268 174.863 174.600 -0.008 0.000 1.162 19 S CA -0.533 57.670 58.200 0.005 0.000 0.817 19 S CB 1.544 64.737 63.200 -0.011 0.000 1.141 19 S HN 0.199 nan 8.310 nan 0.000 0.477 20 E N 0.127 120.324 120.200 -0.005 0.000 2.268 20 E HA -0.050 4.298 4.350 -0.003 0.000 0.195 20 E C 1.012 177.572 176.600 -0.068 0.000 0.995 20 E CA 1.579 57.966 56.400 -0.022 0.000 0.836 20 E CB -0.042 29.656 29.700 -0.004 0.000 0.763 20 E HN 0.766 nan 8.360 nan 0.000 0.491 21 T N -2.773 111.745 114.554 -0.061 0.000 3.145 21 T HA 0.241 4.589 4.350 -0.003 0.000 0.281 21 T C 0.115 174.763 174.700 -0.086 0.000 1.003 21 T CA -0.520 61.537 62.100 -0.072 0.000 0.901 21 T CB 0.416 69.257 68.868 -0.044 0.000 1.112 21 T HN -0.094 nan 8.240 nan 0.000 0.535 22 Q N 1.027 120.763 119.800 -0.107 0.000 2.304 22 Q HA 0.655 4.993 4.340 -0.003 0.000 0.270 22 Q C -1.946 173.924 176.000 -0.216 0.000 1.035 22 Q CA -0.870 54.846 55.803 -0.145 0.000 0.781 22 Q CB 2.833 31.507 28.738 -0.107 0.000 1.261 22 Q HN 0.229 nan 8.270 nan 0.000 0.444 23 L N 2.406 123.442 121.223 -0.311 0.000 2.305 23 L HA 0.538 4.876 4.340 -0.003 0.000 0.284 23 L C -0.933 175.657 176.870 -0.468 0.000 1.013 23 L CA -0.408 54.172 54.840 -0.434 0.000 0.819 23 L CB 1.254 42.997 42.059 -0.526 0.000 1.227 23 L HN 0.461 nan 8.230 nan 0.000 0.417 24 R N 3.779 123.950 120.500 -0.547 0.000 2.357 24 R HA 0.713 5.051 4.340 -0.003 0.000 0.296 24 R C -1.358 174.602 176.300 -0.568 0.000 1.052 24 R CA -0.351 55.403 56.100 -0.577 0.000 0.988 24 R CB 1.042 30.863 30.300 -0.798 0.000 1.025 24 R HN 0.508 nan 8.270 nan 0.000 0.469 25 V N 1.195 120.898 119.914 -0.352 0.000 2.735 25 V HA 0.730 4.848 4.120 -0.003 0.000 0.310 25 V C -0.531 175.589 176.094 0.043 0.000 1.061 25 V CA -1.013 61.205 62.300 -0.138 0.000 0.913 25 V CB 2.117 33.793 31.823 -0.244 0.000 1.005 25 V HN 0.769 nan 8.190 nan 0.000 0.428 26 R N 2.733 123.371 120.500 0.229 0.000 2.807 26 R HA 0.865 5.203 4.340 -0.003 0.000 0.276 26 R C -1.521 175.091 176.300 0.521 0.000 0.979 26 R CA -0.757 55.505 56.100 0.269 0.000 0.928 26 R CB 2.608 32.922 30.300 0.023 0.000 1.191 26 R HN 0.875 nan 8.270 nan 0.000 0.471 27 L N 1.114 122.585 121.223 0.414 0.000 2.455 27 L HA 0.574 4.911 4.340 -0.003 0.000 0.264 27 L C -1.224 175.883 176.870 0.394 0.000 0.968 27 L CA -0.709 54.313 54.840 0.303 0.000 0.827 27 L CB 2.055 44.007 42.059 -0.179 0.000 1.317 27 L HN 0.564 nan 8.230 nan 0.000 0.407 28 R N 3.816 124.508 120.500 0.320 0.000 2.589 28 R HA 0.916 5.254 4.340 -0.003 0.000 0.293 28 R C -1.546 174.840 176.300 0.143 0.000 0.963 28 R CA -0.198 55.970 56.100 0.113 0.000 0.905 28 R CB 1.932 32.212 30.300 -0.032 0.000 1.144 28 R HN 0.798 nan 8.270 nan 0.000 0.459 29 A N 3.344 126.276 122.820 0.186 0.000 2.587 29 A HA 0.317 4.635 4.320 -0.003 0.000 0.293 29 A C -1.356 176.382 177.584 0.256 0.000 1.087 29 A CA -0.886 51.284 52.037 0.222 0.000 0.692 29 A CB 1.385 20.501 19.000 0.193 0.000 1.291 29 A HN 0.779 nan 8.150 nan 0.000 0.407 30 K N 1.200 121.679 120.400 0.131 0.000 2.489 30 K HA 0.028 4.345 4.320 -0.003 0.000 0.278 30 K C 0.151 176.730 176.600 -0.035 0.000 1.000 30 K CA 0.121 56.367 56.287 -0.069 0.000 1.012 30 K CB 0.302 32.736 32.500 -0.110 0.000 0.903 30 K HN 0.632 nan 8.250 nan 0.000 0.485 31 K N 2.787 123.121 120.400 -0.109 0.000 2.466 31 K HA -0.101 4.217 4.320 -0.003 0.000 0.278 31 K C 0.695 177.287 176.600 -0.013 0.000 1.048 31 K CA 1.313 57.574 56.287 -0.043 0.000 1.088 31 K CB -0.149 32.305 32.500 -0.077 0.000 0.884 31 K HN 0.879 nan 8.250 nan 0.000 0.478 32 G N 3.879 112.704 108.800 0.041 0.000 2.241 32 G HA2 -0.267 3.690 3.960 -0.003 0.000 0.244 32 G HA3 -0.267 3.690 3.960 -0.003 0.000 0.244 32 G C 0.636 175.562 174.900 0.044 0.000 0.998 32 G CA 0.356 45.482 45.100 0.042 0.000 0.621 32 G HN 0.754 nan 8.290 nan 0.000 0.519 33 D N -0.028 120.394 120.400 0.038 0.000 2.144 33 D HA 0.164 4.802 4.640 -0.003 0.000 0.200 33 D C 1.288 177.599 176.300 0.017 0.000 0.978 33 D CA 1.429 55.436 54.000 0.011 0.000 0.833 33 D CB 0.167 40.960 40.800 -0.011 0.000 0.961 33 D HN 0.421 nan 8.370 nan 0.000 0.470 34 V N 0.972 120.929 119.914 0.072 0.000 2.448 34 V HA 0.187 4.305 4.120 -0.003 0.000 0.295 34 V C 1.174 177.321 176.094 0.088 0.000 1.025 34 V CA -0.521 61.776 62.300 -0.006 0.000 0.859 34 V CB 2.089 33.804 31.823 -0.179 0.000 0.988 34 V HN -0.019 nan 8.190 nan 0.000 0.431 35 V N 1.808 121.733 119.914 0.018 0.000 3.621 35 V HA 0.470 4.588 4.120 -0.003 0.000 0.263 35 V C 0.646 176.772 176.094 0.053 0.000 1.272 35 V CA 0.361 62.712 62.300 0.087 0.000 1.080 35 V CB -0.024 31.833 31.823 0.056 0.000 0.816 35 V HN 0.764 nan 8.190 nan 0.000 0.451 36 R N -0.495 119.955 120.500 -0.084 0.000 2.548 36 R HA 0.632 4.970 4.340 -0.003 0.000 0.280 36 R C -2.157 174.004 176.300 -0.232 0.000 1.061 36 R CA -0.147 55.900 56.100 -0.090 0.000 0.915 36 R CB 2.006 32.293 30.300 -0.021 0.000 1.210 36 R HN 0.343 nan 8.270 nan 0.000 0.442 37 C N 3.838 122.997 119.300 -0.235 0.000 2.381 37 C HA 0.553 5.011 4.460 -0.003 0.000 0.328 37 C C -0.718 174.286 174.990 0.023 0.000 1.190 37 C CA -0.253 58.642 59.018 -0.205 0.000 1.369 37 C CB 1.028 28.468 27.740 -0.500 0.000 2.029 37 C HN 1.008 nan 8.230 nan 0.000 0.448 38 E N 3.670 123.917 120.200 0.079 0.000 2.277 38 E HA 0.777 5.125 4.350 -0.003 0.000 0.266 38 E C -1.466 175.206 176.600 0.119 0.000 0.901 38 E CA -0.544 55.919 56.400 0.105 0.000 0.782 38 E CB 2.179 31.932 29.700 0.089 0.000 1.228 38 E HN 0.587 nan 8.360 nan 0.000 0.424 39 V N 4.214 124.163 119.914 0.058 0.000 2.495 39 V HA 0.385 4.502 4.120 -0.003 0.000 0.298 39 V C -0.419 175.689 176.094 0.024 0.000 1.031 39 V CA -0.755 61.512 62.300 -0.055 0.000 0.871 39 V CB 1.356 33.051 31.823 -0.213 0.000 0.988 39 V HN 0.573 nan 8.190 nan 0.000 0.432 40 L N 6.415 127.633 121.223 -0.008 0.000 2.298 40 L HA 0.663 5.001 4.340 -0.003 0.000 0.284 40 L C -0.686 176.235 176.870 0.085 0.000 1.013 40 L CA -0.525 54.275 54.840 -0.067 0.000 0.824 40 L CB 0.980 42.956 42.059 -0.139 0.000 1.221 40 L HN 0.825 nan 8.230 nan 0.000 0.418 41 Y N 2.198 122.443 120.300 -0.092 0.000 2.669 41 Y HA 0.983 5.531 4.550 -0.003 0.000 0.335 41 Y C -0.562 175.328 175.900 -0.017 0.000 1.116 41 Y CA -1.081 57.004 58.100 -0.025 0.000 1.081 41 Y CB 1.909 40.353 38.460 -0.026 0.000 1.297 41 Y HN 0.574 nan 8.280 nan 0.000 0.484 42 A N 0.661 123.556 122.820 0.125 0.000 2.540 42 A HA 0.413 4.731 4.320 -0.003 0.000 0.291 42 A C -1.941 175.712 177.584 0.115 0.000 1.083 42 A CA -0.570 51.481 52.037 0.024 0.000 0.650 42 A CB 0.777 19.759 19.000 -0.030 0.000 1.292 42 A HN 0.907 nan 8.150 nan 0.000 0.435 43 D N -0.363 120.089 120.400 0.087 0.000 2.423 43 D HA 0.252 4.890 4.640 -0.003 0.000 0.238 43 D C 1.161 177.525 176.300 0.106 0.000 1.142 43 D CA 0.138 54.209 54.000 0.120 0.000 0.884 43 D CB 0.648 41.520 40.800 0.121 0.000 1.199 43 D HN 0.440 nan 8.370 nan 0.000 0.438 44 R N 1.789 122.359 120.500 0.117 0.000 2.193 44 R HA -0.139 4.198 4.340 -0.003 0.000 0.229 44 R C 0.693 176.894 176.300 -0.164 0.000 1.110 44 R CA 1.019 57.102 56.100 -0.029 0.000 0.988 44 R CB -0.142 30.113 30.300 -0.075 0.000 0.871 44 R HN 0.599 nan 8.270 nan 0.000 0.458 45 Y N -0.138 120.181 120.300 0.031 0.000 2.524 45 Y HA 0.335 4.883 4.550 -0.003 0.000 0.266 45 Y C 0.703 176.608 175.900 0.009 0.000 1.180 45 Y CA -0.675 57.436 58.100 0.020 0.000 1.244 45 Y CB 0.138 38.614 38.460 0.025 0.000 1.125 45 Y HN -0.019 nan 8.280 nan 0.000 0.524 46 A N 0.297 123.180 122.820 0.104 0.000 2.445 46 A HA 0.269 4.587 4.320 -0.003 0.000 0.242 46 A C 0.761 178.362 177.584 0.029 0.000 1.075 46 A CA -0.099 51.974 52.037 0.058 0.000 0.777 46 A CB 0.151 19.167 19.000 0.028 0.000 1.013 46 A HN 0.242 nan 8.150 nan 0.000 0.493 47 S N 1.973 117.687 115.700 0.023 0.000 2.572 47 S HA 0.236 4.704 4.470 -0.003 0.000 0.279 47 S C -1.338 173.255 174.600 -0.010 0.000 1.341 47 S CA -0.886 57.319 58.200 0.009 0.000 1.043 47 S CB 0.297 63.502 63.200 0.008 0.000 0.887 47 S HN 0.481 nan 8.310 nan 0.000 0.516 48 P HA -0.138 nan 4.420 nan 0.000 0.217 48 P C 0.688 177.970 177.300 -0.031 0.000 1.148 48 P CA 1.377 64.457 63.100 -0.032 0.000 0.828 48 P CB 0.018 31.699 31.700 -0.032 0.000 0.783 49 E N -0.906 119.282 120.200 -0.021 0.000 2.478 49 E HA 0.023 4.371 4.350 -0.003 0.000 0.194 49 E C 0.349 176.939 176.600 -0.017 0.000 1.045 49 E CA 0.158 56.547 56.400 -0.019 0.000 0.868 49 E CB -0.865 28.827 29.700 -0.014 0.000 0.885 49 E HN 0.292 nan 8.360 nan 0.000 0.505 50 E N 1.242 121.432 120.200 -0.016 0.000 2.398 50 E HA 0.034 4.382 4.350 -0.003 0.000 0.263 50 E C -0.405 176.181 176.600 -0.022 0.000 1.046 50 E CA -0.174 56.217 56.400 -0.016 0.000 0.908 50 E CB 0.500 30.192 29.700 -0.013 0.000 0.963 50 E HN 0.098 nan 8.360 nan 0.000 0.431 51 E N 2.104 122.293 120.200 -0.018 0.000 2.344 51 E HA 0.061 4.409 4.350 -0.003 0.000 0.270 51 E C -0.834 175.746 176.600 -0.034 0.000 1.021 51 E CA -0.066 56.327 56.400 -0.012 0.000 0.887 51 E CB 0.456 30.156 29.700 -0.001 0.000 0.997 51 E HN 0.292 nan 8.360 nan 0.000 0.429 52 L N 3.108 124.309 121.223 -0.037 0.000 2.395 52 L HA 0.411 4.749 4.340 -0.003 0.000 0.269 52 L C 0.482 177.279 176.870 -0.121 0.000 1.133 52 L CA -0.761 54.012 54.840 -0.113 0.000 0.812 52 L CB 1.082 43.057 42.059 -0.140 0.000 1.125 52 L HN 0.626 nan 8.230 nan 0.000 0.452 53 A N 2.699 125.311 122.820 -0.346 0.000 2.304 53 A HA 0.400 4.717 4.320 -0.003 0.000 0.271 53 A C -0.440 176.960 177.584 -0.307 0.000 1.091 53 A CA -0.254 51.529 52.037 -0.424 0.000 0.812 53 A CB 0.245 18.617 19.000 -1.047 0.000 1.056 53 A HN 0.776 nan 8.150 nan 0.000 0.489 54 H N -0.434 118.539 119.070 -0.162 0.000 2.572 54 H HA 0.627 5.181 4.556 -0.003 0.000 0.359 54 H C -0.539 174.894 175.328 0.176 0.000 1.134 54 H CA -0.212 55.859 56.048 0.039 0.000 1.187 54 H CB 2.099 31.876 29.762 0.025 0.000 1.597 54 H HN 0.847 nan 8.280 nan 0.000 0.524 55 A N 3.339 126.337 122.820 0.297 0.000 2.429 55 A HA 0.300 4.618 4.320 -0.003 0.000 0.289 55 A C -1.345 176.318 177.584 0.131 0.000 1.043 55 A CA -0.618 51.541 52.037 0.202 0.000 0.722 55 A CB 1.261 20.344 19.000 0.138 0.000 1.243 55 A HN 0.479 nan 8.150 nan 0.000 0.415 56 L N 2.715 124.009 121.223 0.118 0.000 2.331 56 L HA 0.703 5.041 4.340 -0.003 0.000 0.278 56 L C 0.437 177.373 176.870 0.110 0.000 1.106 56 L CA 0.232 55.139 54.840 0.112 0.000 0.824 56 L CB 1.210 43.331 42.059 0.103 0.000 1.142 56 L HN 0.886 nan 8.230 nan 0.000 0.443 57 A N 4.536 127.441 122.820 0.141 0.000 2.253 57 A HA 0.675 4.992 4.320 -0.003 0.000 0.316 57 A C 0.345 178.088 177.584 0.265 0.000 1.327 57 A CA -0.039 52.113 52.037 0.191 0.000 0.917 57 A CB -0.095 19.055 19.000 0.250 0.000 1.162 57 A HN 0.926 nan 8.150 nan 0.000 0.535 58 G N 1.273 110.199 108.800 0.211 0.000 2.503 58 G HA2 0.388 4.346 3.960 -0.003 0.000 0.257 58 G HA3 0.388 4.346 3.960 -0.003 0.000 0.257 58 G C 0.095 175.136 174.900 0.235 0.000 1.214 58 G CA -0.629 44.599 45.100 0.213 0.000 0.839 58 G HN 0.811 nan 8.290 nan 0.000 0.559 59 K N 1.174 121.678 120.400 0.173 0.000 2.363 59 K HA 0.306 4.624 4.320 -0.003 0.000 0.289 59 K C 1.192 177.750 176.600 -0.070 0.000 1.063 59 K CA 0.070 56.276 56.287 -0.134 0.000 0.967 59 K CB 0.451 32.851 32.500 -0.166 0.000 0.987 59 K HN 0.400 nan 8.250 nan 0.000 0.473 60 A N 3.824 126.602 122.820 -0.070 0.000 2.169 60 A HA 0.217 4.535 4.320 -0.003 0.000 0.212 60 A C 0.787 178.362 177.584 -0.015 0.000 1.153 60 A CA 1.005 53.033 52.037 -0.015 0.000 0.756 60 A CB -0.057 18.943 19.000 -0.001 0.000 0.813 60 A HN 0.902 nan 8.150 nan 0.000 0.471 61 G N -2.679 106.111 108.800 -0.016 0.000 2.320 61 G HA2 0.454 4.412 3.960 -0.003 0.000 0.297 61 G HA3 0.454 4.412 3.960 -0.003 0.000 0.297 61 G C -1.202 173.773 174.900 0.125 0.000 1.344 61 G CA 0.052 45.175 45.100 0.039 0.000 0.851 61 G HN 0.589 nan 8.290 nan 0.000 0.567 62 S N 0.011 115.799 115.700 0.146 0.000 2.536 62 S HA 0.733 5.201 4.470 -0.003 0.000 0.271 62 S C -0.858 173.853 174.600 0.185 0.000 1.134 62 S CA -0.428 57.882 58.200 0.182 0.000 0.897 62 S CB 2.244 65.486 63.200 0.069 0.000 1.094 62 S HN 1.097 nan 8.310 nan 0.000 0.473 63 D N 0.407 120.958 120.400 0.252 0.000 2.658 63 D HA 0.388 5.026 4.640 -0.003 0.000 0.243 63 D C 0.895 177.257 176.300 0.105 0.000 1.159 63 D CA -0.524 53.583 54.000 0.178 0.000 1.084 63 D CB -0.150 40.813 40.800 0.271 0.000 1.227 63 D HN 0.295 nan 8.370 nan 0.000 0.636 64 E N -0.345 119.903 120.200 0.080 0.000 2.070 64 E HA -0.156 4.192 4.350 -0.003 0.000 0.197 64 E C 1.780 178.355 176.600 -0.042 0.000 1.004 64 E CA 1.372 57.784 56.400 0.020 0.000 0.805 64 E CB -0.011 29.699 29.700 0.016 0.000 0.744 64 E HN 0.425 nan 8.360 nan 0.000 0.451 65 R N -1.617 118.830 120.500 -0.088 0.000 2.419 65 R HA 0.206 4.544 4.340 -0.003 0.000 0.235 65 R C 0.060 175.982 176.300 -0.630 0.000 0.899 65 R CA -0.127 55.727 56.100 -0.410 0.000 1.048 65 R CB 0.711 30.608 30.300 -0.672 0.000 1.182 65 R HN -0.043 nan 8.270 nan 0.000 0.544 66 F N 0.086 119.986 119.950 -0.082 0.000 2.593 66 F HA 0.398 4.923 4.527 -0.003 0.000 0.320 66 F C 0.015 175.664 175.800 -0.253 0.000 1.060 66 F CA -1.355 56.521 58.000 -0.208 0.000 0.940 66 F CB 1.176 39.930 39.000 -0.411 0.000 1.268 66 F HN -0.303 nan 8.300 nan 0.000 0.475 67 D N 0.022 120.385 120.400 -0.062 0.000 2.217 67 D HA 0.349 4.987 4.640 -0.003 0.000 0.248 67 D C -1.376 174.697 176.300 -0.379 0.000 1.008 67 D CA -0.126 53.769 54.000 -0.175 0.000 0.914 67 D CB 1.568 42.283 40.800 -0.141 0.000 1.182 67 D HN 0.343 nan 8.370 nan 0.000 0.451 68 Y N 0.477 120.594 120.300 -0.306 0.000 2.361 68 Y HA 0.403 4.951 4.550 -0.004 0.000 0.337 68 Y C -0.507 175.150 175.900 -0.404 0.000 0.965 68 Y CA -0.843 57.157 58.100 -0.167 0.000 1.091 68 Y CB 1.178 39.601 38.460 -0.061 0.000 1.182 68 Y HN 0.145 nan 8.280 nan 0.000 0.450 69 F N 1.500 121.577 119.950 0.212 0.000 2.492 69 F HA 0.558 5.083 4.527 -0.003 0.000 0.327 69 F C -0.029 175.854 175.800 0.137 0.000 1.079 69 F CA -0.929 57.161 58.000 0.149 0.000 0.967 69 F CB 1.943 41.012 39.000 0.115 0.000 1.169 69 F HN 0.368 nan 8.300 nan 0.000 0.472 70 E N 1.420 121.776 120.200 0.260 0.000 2.292 70 E HA 0.797 5.145 4.350 -0.003 0.000 0.272 70 E C -1.715 174.947 176.600 0.102 0.000 0.881 70 E CA -0.772 55.712 56.400 0.141 0.000 0.754 70 E CB 2.075 31.813 29.700 0.063 0.000 1.201 70 E HN 0.772 nan 8.360 nan 0.000 0.425 71 A N 3.132 125.970 122.820 0.031 0.000 2.527 71 A HA 0.724 5.042 4.320 -0.003 0.000 0.293 71 A C -1.972 175.527 177.584 -0.142 0.000 1.117 71 A CA -0.698 51.322 52.037 -0.029 0.000 0.723 71 A CB 1.529 20.516 19.000 -0.021 0.000 1.313 71 A HN 0.448 nan 8.150 nan 0.000 0.411 72 L N 1.110 122.241 121.223 -0.154 0.000 2.343 72 L HA 0.651 4.989 4.340 -0.003 0.000 0.278 72 L C -1.657 175.040 176.870 -0.287 0.000 0.996 72 L CA -0.444 54.269 54.840 -0.212 0.000 0.831 72 L CB 1.226 43.207 42.059 -0.130 0.000 1.232 72 L HN 0.533 nan 8.230 nan 0.000 0.413 73 L N 4.983 125.930 121.223 -0.461 0.000 2.265 73 L HA 0.423 4.761 4.340 -0.003 0.000 0.288 73 L C 0.164 176.814 176.870 -0.366 0.000 1.058 73 L CA -0.061 54.345 54.840 -0.724 0.000 0.809 73 L CB 0.951 42.365 42.059 -1.074 0.000 1.179 73 L HN 0.484 nan 8.230 nan 0.000 0.429 74 E N 2.819 122.958 120.200 -0.103 0.000 2.105 74 E HA 0.175 4.523 4.350 -0.003 0.000 0.285 74 E C -0.822 175.848 176.600 0.117 0.000 1.055 74 E CA -0.011 56.411 56.400 0.036 0.000 0.843 74 E CB 0.829 30.592 29.700 0.106 0.000 1.067 74 E HN 0.476 nan 8.360 nan 0.000 0.398 75 C N 3.096 122.404 119.300 0.014 0.000 2.787 75 C HA 0.181 4.639 4.460 -0.003 0.000 0.265 75 C C 1.894 176.882 174.990 -0.003 0.000 1.190 75 C CA -0.623 58.413 59.018 0.031 0.000 1.616 75 C CB -0.779 26.945 27.740 -0.027 0.000 1.732 75 C HN 0.645 nan 8.230 nan 0.000 0.433 76 S N 1.916 117.626 115.700 0.017 0.000 2.392 76 S HA -0.208 4.259 4.470 -0.003 0.000 0.232 76 S C 2.150 176.740 174.600 -0.016 0.000 1.041 76 S CA 2.443 60.643 58.200 -0.000 0.000 1.026 76 S CB -0.236 62.970 63.200 0.011 0.000 0.845 76 S HN 0.935 nan 8.310 nan 0.000 0.465 77 T N -1.057 113.495 114.554 -0.004 0.000 3.118 77 T HA 0.146 4.494 4.350 -0.003 0.000 0.260 77 T C 0.664 175.308 174.700 -0.094 0.000 1.139 77 T CA 0.634 62.728 62.100 -0.010 0.000 1.085 77 T CB -0.444 68.450 68.868 0.042 0.000 0.934 77 T HN 0.453 nan 8.240 nan 0.000 0.518 78 K N -0.099 120.216 120.400 -0.141 0.000 3.407 78 K HA -0.162 4.156 4.320 -0.003 0.000 0.312 78 K C -0.348 176.070 176.600 -0.303 0.000 1.302 78 K CA 0.834 56.934 56.287 -0.312 0.000 0.931 78 K CB -1.187 30.952 32.500 -0.602 0.000 1.257 78 K HN 0.541 nan 8.250 nan 0.000 0.454 79 R N 0.310 120.768 120.500 -0.070 0.000 2.575 79 R HA 0.649 4.987 4.340 -0.003 0.000 0.293 79 R C -1.213 175.165 176.300 0.129 0.000 0.983 79 R CA -0.796 55.353 56.100 0.080 0.000 0.887 79 R CB 2.803 33.223 30.300 0.200 0.000 1.184 79 R HN -0.010 nan 8.270 nan 0.000 0.445 80 V N 2.675 122.697 119.914 0.179 0.000 2.932 80 V HA 0.530 4.648 4.120 -0.003 0.000 0.307 80 V C -1.667 174.586 176.094 0.264 0.000 1.147 80 V CA -0.767 61.660 62.300 0.212 0.000 0.951 80 V CB 2.285 34.217 31.823 0.180 0.000 1.031 80 V HN 0.820 nan 8.190 nan 0.000 0.426 81 K N 5.540 126.073 120.400 0.222 0.000 2.259 81 K HA 0.838 5.156 4.320 -0.003 0.000 0.252 81 K C -1.562 175.168 176.600 0.216 0.000 0.936 81 K CA -0.672 55.689 56.287 0.124 0.000 0.810 81 K CB 2.120 34.617 32.500 -0.005 0.000 1.143 81 K HN 0.850 nan 8.250 nan 0.000 0.427 82 Y N -1.745 118.550 120.300 -0.009 0.000 2.609 82 Y HA 0.699 5.247 4.550 -0.004 0.000 0.336 82 Y C -1.753 174.060 175.900 -0.145 0.000 1.129 82 Y CA -1.412 56.640 58.100 -0.079 0.000 1.040 82 Y CB 1.501 39.860 38.460 -0.168 0.000 1.310 82 Y HN 0.403 nan 8.280 nan 0.000 0.460 83 V N 2.834 122.709 119.914 -0.065 0.000 2.841 83 V HA 0.645 4.763 4.120 -0.003 0.000 0.310 83 V C -1.720 174.335 176.094 -0.065 0.000 1.090 83 V CA -1.135 61.114 62.300 -0.086 0.000 0.930 83 V CB 1.841 33.642 31.823 -0.036 0.000 1.014 83 V HN 0.711 nan 8.190 nan 0.000 0.425 84 F N 5.790 125.845 119.950 0.174 0.000 2.385 84 F HA 0.649 5.174 4.527 -0.003 0.000 0.336 84 F C -0.080 175.820 175.800 0.167 0.000 1.100 84 F CA -0.584 57.519 58.000 0.172 0.000 1.116 84 F CB 1.659 40.786 39.000 0.213 0.000 1.166 84 F HN 0.371 nan 8.300 nan 0.000 0.511 85 L N 5.098 126.458 121.223 0.228 0.000 2.318 85 L HA 0.536 4.874 4.340 -0.003 0.000 0.277 85 L C -1.323 175.529 176.870 -0.030 0.000 1.008 85 L CA -0.549 54.255 54.840 -0.060 0.000 0.846 85 L CB 0.553 42.534 42.059 -0.130 0.000 1.220 85 L HN 0.456 nan 8.230 nan 0.000 0.423 86 L N 4.534 125.728 121.223 -0.049 0.000 2.295 86 L HA 0.613 4.951 4.340 -0.003 0.000 0.285 86 L C 0.019 176.828 176.870 -0.102 0.000 1.035 86 L CA -0.466 54.333 54.840 -0.069 0.000 0.806 86 L CB 1.648 43.696 42.059 -0.019 0.000 1.214 86 L HN 0.513 nan 8.230 nan 0.000 0.426 87 T N 1.600 116.091 114.554 -0.106 0.000 2.779 87 T HA 0.522 4.870 4.350 -0.003 0.000 0.280 87 T C 0.424 175.087 174.700 -0.062 0.000 0.987 87 T CA -0.518 61.536 62.100 -0.077 0.000 0.966 87 T CB 1.755 70.590 68.868 -0.056 0.000 0.933 87 T HN 0.760 nan 8.240 nan 0.000 0.442 88 G N 2.642 111.414 108.800 -0.046 0.000 2.535 88 G HA2 0.448 4.406 3.960 -0.003 0.000 0.303 88 G HA3 0.448 4.406 3.960 -0.003 0.000 0.303 88 G C -1.720 173.171 174.900 -0.015 0.000 1.237 88 G CA -1.658 43.423 45.100 -0.032 0.000 0.986 88 G HN 0.369 nan 8.290 nan 0.000 0.494 89 P HA -0.075 nan 4.420 nan 0.000 0.216 89 P C 1.312 178.611 177.300 -0.001 0.000 1.150 89 P CA 1.195 64.296 63.100 0.001 0.000 0.837 89 P CB 0.216 31.917 31.700 0.001 0.000 0.786 90 Q N -1.494 118.302 119.800 -0.007 0.000 2.247 90 Q HA 0.282 4.620 4.340 -0.003 0.000 0.205 90 Q C 1.010 177.007 176.000 -0.005 0.000 0.896 90 Q CA 0.425 56.225 55.803 -0.005 0.000 0.950 90 Q CB -0.254 28.479 28.738 -0.008 0.000 1.054 90 Q HN 0.198 nan 8.270 nan 0.000 0.482 91 G N 1.922 110.718 108.800 -0.007 0.000 2.162 91 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.260 91 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.260 91 G C 0.005 174.897 174.900 -0.015 0.000 0.976 91 G CA 0.287 45.382 45.100 -0.008 0.000 0.655 91 G HN 0.492 nan 8.290 nan 0.000 0.533 92 E N 0.335 120.523 120.200 -0.019 0.000 2.414 92 E HA 0.455 4.803 4.350 -0.003 0.000 0.263 92 E C 0.168 176.745 176.600 -0.039 0.000 1.000 92 E CA 0.330 56.717 56.400 -0.021 0.000 0.914 92 E CB 1.130 30.817 29.700 -0.021 0.000 0.948 92 E HN 1.168 nan 8.360 nan 0.000 0.444 93 A N 3.809 126.603 122.820 -0.043 0.000 2.253 93 A HA 0.479 4.796 4.320 -0.003 0.000 0.316 93 A C -0.583 176.935 177.584 -0.110 0.000 1.327 93 A CA -0.820 51.154 52.037 -0.104 0.000 0.917 93 A CB 0.778 19.716 19.000 -0.104 0.000 1.162 93 A HN 0.402 nan 8.150 nan 0.000 0.535 94 V N 3.546 123.382 119.914 -0.130 0.000 2.487 94 V HA 0.323 4.441 4.120 -0.003 0.000 0.298 94 V C -0.956 175.118 176.094 -0.033 0.000 1.028 94 V CA -0.503 61.790 62.300 -0.011 0.000 0.860 94 V CB 1.030 32.893 31.823 0.068 0.000 0.991 94 V HN 0.792 nan 8.190 nan 0.000 0.427 95 Y N 3.993 124.411 120.300 0.195 0.000 2.310 95 Y HA 0.557 5.105 4.550 -0.003 0.000 0.326 95 Y C -0.269 175.809 175.900 0.297 0.000 1.151 95 Y CA -0.338 57.883 58.100 0.202 0.000 1.195 95 Y CB 1.577 40.101 38.460 0.106 0.000 1.210 95 Y HN 0.646 nan 8.280 nan 0.000 0.483 96 F N 2.494 122.591 119.950 0.245 0.000 2.539 96 F HA 0.757 5.282 4.527 -0.003 0.000 0.328 96 F C -0.231 175.612 175.800 0.072 0.000 1.148 96 F CA -0.387 57.627 58.000 0.023 0.000 0.940 96 F CB 0.981 40.039 39.000 0.097 0.000 1.194 96 F HN 0.589 nan 8.300 nan 0.000 0.438 97 G N 3.745 112.255 108.800 -0.483 0.000 2.866 97 G HA2 0.154 4.112 3.960 -0.003 0.000 0.289 97 G HA3 0.154 4.112 3.960 -0.003 0.000 0.289 97 G C -0.140 173.923 174.900 -1.395 0.000 1.396 97 G CA -0.516 43.993 45.100 -0.985 0.000 0.848 97 G HN 0.698 nan 8.290 nan 0.000 0.515 98 E N -0.918 118.279 120.200 -1.671 0.000 2.147 98 E HA -0.190 4.158 4.350 -0.003 0.000 0.199 98 E C 2.207 178.508 176.600 -0.498 0.000 1.005 98 E CA 2.176 57.925 56.400 -1.084 0.000 0.810 98 E CB -0.040 29.239 29.700 -0.702 0.000 0.736 98 E HN 0.446 nan 8.360 nan 0.000 0.460 99 T N -0.561 113.756 114.554 -0.396 0.000 2.821 99 T HA 0.118 4.466 4.350 -0.003 0.000 0.267 99 T C 0.765 175.384 174.700 -0.135 0.000 1.046 99 T CA 0.920 62.896 62.100 -0.207 0.000 1.139 99 T CB 0.153 68.922 68.868 -0.164 0.000 0.871 99 T HN 0.502 nan 8.240 nan 0.000 0.454 100 G N 0.011 108.703 108.800 -0.180 0.000 2.334 100 G HA2 0.302 4.260 3.960 -0.003 0.000 0.249 100 G HA3 0.302 4.260 3.960 -0.003 0.000 0.249 100 G C -1.773 173.037 174.900 -0.149 0.000 1.327 100 G CA -1.130 43.906 45.100 -0.107 0.000 0.979 100 G HN 0.161 nan 8.290 nan 0.000 0.471 101 F N 0.916 120.979 119.950 0.188 0.000 2.425 101 F HA 0.857 5.382 4.527 -0.003 0.000 0.331 101 F C 0.795 176.670 175.800 0.125 0.000 1.085 101 F CA -0.029 58.077 58.000 0.177 0.000 1.028 101 F CB 2.255 41.306 39.000 0.085 0.000 1.177 101 F HN 0.648 nan 8.300 nan 0.000 0.487 102 S N 0.226 116.120 115.700 0.323 0.000 2.578 102 S HA 0.612 5.080 4.470 -0.003 0.000 0.272 102 S C 0.043 174.805 174.600 0.269 0.000 1.145 102 S CA -0.050 58.285 58.200 0.226 0.000 0.835 102 S CB 1.190 64.476 63.200 0.144 0.000 1.104 102 S HN 0.821 nan 8.310 nan 0.000 0.458 103 A N 1.706 124.648 122.820 0.204 0.000 2.167 103 A HA 0.311 4.629 4.320 -0.003 0.000 0.214 103 A C 0.444 178.213 177.584 0.307 0.000 1.151 103 A CA 0.590 52.763 52.037 0.226 0.000 0.735 103 A CB -0.253 18.827 19.000 0.133 0.000 0.802 103 A HN 0.740 nan 8.150 nan 0.000 0.467 104 E N -0.675 119.636 120.200 0.185 0.000 2.151 104 E HA 0.329 4.677 4.350 -0.003 0.000 0.275 104 E C 0.498 176.980 176.600 -0.196 0.000 0.936 104 E CA -0.619 55.791 56.400 0.017 0.000 0.777 104 E CB 1.564 31.256 29.700 -0.012 0.000 1.108 104 E HN 0.368 nan 8.360 nan 0.000 0.401 105 R N 2.136 122.209 120.500 -0.711 0.000 2.096 105 R HA -0.212 4.126 4.340 -0.003 0.000 0.240 105 R C 2.041 178.110 176.300 -0.385 0.000 1.139 105 R CA 2.482 58.010 56.100 -0.953 0.000 0.952 105 R CB -0.150 29.494 30.300 -1.093 0.000 0.854 105 R HN 0.607 nan 8.270 nan 0.000 0.436 106 S N 0.372 115.912 115.700 -0.267 0.000 2.383 106 S HA -0.159 4.309 4.470 -0.003 0.000 0.229 106 S C 1.641 176.163 174.600 -0.130 0.000 1.030 106 S CA 1.440 59.538 58.200 -0.170 0.000 1.002 106 S CB -0.217 62.909 63.200 -0.125 0.000 0.829 106 S HN 0.435 nan 8.310 nan 0.000 0.467 107 K N 1.296 121.637 120.400 -0.099 0.000 2.486 107 K HA 0.306 4.624 4.320 -0.003 0.000 0.194 107 K C 2.034 178.600 176.600 -0.056 0.000 1.033 107 K CA 0.626 56.878 56.287 -0.059 0.000 1.004 107 K CB -0.214 32.275 32.500 -0.019 0.000 0.798 107 K HN 0.523 nan 8.250 nan 0.000 0.495 108 A N 1.409 124.187 122.820 -0.071 0.000 2.132 108 A HA 0.244 4.562 4.320 -0.003 0.000 0.213 108 A C 1.103 178.571 177.584 -0.193 0.000 1.154 108 A CA 0.767 52.762 52.037 -0.070 0.000 0.753 108 A CB -0.355 18.663 19.000 0.030 0.000 0.826 108 A HN 0.363 nan 8.150 nan 0.000 0.469 109 G N -1.686 106.996 108.800 -0.197 0.000 2.645 109 G HA2 0.041 3.999 3.960 -0.003 0.000 0.239 109 G HA3 0.041 3.999 3.960 -0.003 0.000 0.239 109 G C -0.208 174.496 174.900 -0.327 0.000 1.331 109 G CA 0.025 44.974 45.100 -0.251 0.000 0.890 109 G HN 1.578 nan 8.290 nan 0.000 0.572 110 V N -0.268 119.411 119.914 -0.391 0.000 2.932 110 V HA 0.710 4.828 4.120 -0.003 0.000 0.307 110 V C -0.287 175.476 176.094 -0.552 0.000 1.147 110 V CA -1.039 61.000 62.300 -0.435 0.000 0.951 110 V CB 1.548 33.210 31.823 -0.268 0.000 1.031 110 V HN 0.956 nan 8.190 nan 0.000 0.426 111 F N 3.777 123.370 119.950 -0.594 0.000 2.406 111 F HA 0.581 5.106 4.527 -0.003 0.000 0.327 111 F C 0.734 176.159 175.800 -0.625 0.000 1.153 111 F CA 0.185 57.791 58.000 -0.657 0.000 1.218 111 F CB 1.000 39.430 39.000 -0.951 0.000 1.215 111 F HN 0.413 nan 8.300 nan 0.000 0.570 112 Q N 1.165 120.907 119.800 -0.097 0.000 2.315 112 Q HA 0.249 4.587 4.340 -0.003 0.000 0.273 112 Q C -1.905 174.208 176.000 0.188 0.000 1.053 112 Q CA -0.906 54.911 55.803 0.024 0.000 0.817 112 Q CB 2.943 31.666 28.738 -0.024 0.000 1.326 112 Q HN 0.615 nan 8.270 nan 0.000 0.423 113 Y N 1.031 121.448 120.300 0.195 0.000 2.712 113 Y HA 0.394 4.942 4.550 -0.004 0.000 0.328 113 Y C 0.741 176.725 175.900 0.140 0.000 0.995 113 Y CA -0.181 58.031 58.100 0.186 0.000 1.283 113 Y CB 0.652 39.231 38.460 0.198 0.000 1.092 113 Y HN 0.938 nan 8.280 nan 0.000 0.519 114 A N 4.763 127.596 122.820 0.022 0.000 1.896 114 A HA -0.215 4.102 4.320 -0.003 0.000 0.220 114 A C -0.260 177.477 177.584 0.255 0.000 1.206 114 A CA 2.099 54.203 52.037 0.111 0.000 0.647 114 A CB -0.500 18.537 19.000 0.061 0.000 0.828 114 A HN 0.723 nan 8.150 nan 0.000 0.455 115 Y N -2.627 117.721 120.300 0.079 0.000 2.521 115 Y HA 0.526 5.074 4.550 -0.003 0.000 0.332 115 Y C -1.299 174.681 175.900 0.133 0.000 1.121 115 Y CA -1.063 57.074 58.100 0.062 0.000 1.037 115 Y CB 1.266 39.686 38.460 -0.066 0.000 1.330 115 Y HN 0.115 nan 8.280 nan 0.000 0.452 116 I N 5.820 126.238 120.570 -0.253 0.000 2.330 116 I HA 0.269 4.437 4.170 -0.003 0.000 0.286 116 I C -0.873 175.193 176.117 -0.086 0.000 1.025 116 I CA -0.442 60.853 61.300 -0.010 0.000 1.197 116 I CB 0.658 38.606 38.000 -0.087 0.000 1.358 116 I HN 0.607 nan 8.210 nan 0.000 0.467 117 H N 4.692 123.918 119.070 0.260 0.000 2.502 117 H HA 0.242 4.796 4.556 -0.003 0.000 0.327 117 H C 1.180 176.601 175.328 0.154 0.000 1.099 117 H CA -0.616 55.586 56.048 0.257 0.000 1.323 117 H CB 1.235 31.140 29.762 0.238 0.000 1.450 117 H HN 0.497 nan 8.280 nan 0.000 0.502 118 R N 0.964 121.602 120.500 0.230 0.000 2.127 118 R HA -0.153 4.185 4.340 -0.003 0.000 0.238 118 R C 1.472 177.862 176.300 0.148 0.000 1.134 118 R CA 1.742 57.932 56.100 0.151 0.000 0.975 118 R CB -0.273 30.096 30.300 0.116 0.000 0.865 118 R HN 0.550 nan 8.270 nan 0.000 0.447 119 S N 0.120 115.920 115.700 0.166 0.000 2.515 119 S HA -0.050 4.418 4.470 -0.003 0.000 0.231 119 S C 1.272 175.935 174.600 0.105 0.000 0.987 119 S CA 0.844 59.112 58.200 0.112 0.000 0.936 119 S CB 0.131 63.379 63.200 0.080 0.000 0.766 119 S HN 0.553 nan 8.310 nan 0.000 0.528 120 E N 0.534 120.828 120.200 0.157 0.000 2.476 120 E HA 0.221 4.569 4.350 -0.003 0.000 0.196 120 E C -0.874 175.820 176.600 0.157 0.000 1.029 120 E CA -0.211 56.276 56.400 0.145 0.000 0.896 120 E CB 0.906 30.730 29.700 0.206 0.000 1.012 120 E HN 0.304 nan 8.360 nan 0.000 0.475 121 V N 2.728 122.734 119.914 0.154 0.000 2.405 121 V HA -0.002 4.116 4.120 -0.003 0.000 0.264 121 V C 0.124 176.340 176.094 0.204 0.000 1.048 121 V CA -0.324 62.076 62.300 0.168 0.000 0.966 121 V CB -0.332 31.569 31.823 0.129 0.000 1.015 121 V HN 0.163 nan 8.190 nan 0.000 0.477 122 F N 5.217 125.196 119.950 0.048 0.000 2.549 122 F HA 0.115 4.640 4.527 -0.004 0.000 0.400 122 F C 0.776 176.579 175.800 0.005 0.000 1.011 122 F CA 0.457 58.464 58.000 0.011 0.000 1.148 122 F CB -0.107 38.869 39.000 -0.040 0.000 0.993 122 F HN 0.502 nan 8.300 nan 0.000 0.540 123 T N 4.757 119.595 114.554 0.472 0.000 2.841 123 T HA 0.524 4.872 4.350 -0.003 0.000 0.285 123 T C -0.152 174.683 174.700 0.224 0.000 0.991 123 T CA -0.720 61.524 62.100 0.241 0.000 0.966 123 T CB 1.460 70.413 68.868 0.140 0.000 0.962 123 T HN 0.661 nan 8.240 nan 0.000 0.438 124 T N 0.610 115.216 114.554 0.087 0.000 2.932 124 T HA 0.707 5.055 4.350 -0.003 0.000 0.289 124 T C -3.024 171.647 174.700 -0.049 0.000 1.039 124 T CA -2.615 59.499 62.100 0.023 0.000 1.024 124 T CB 1.034 69.856 68.868 -0.075 0.000 1.090 124 T HN 0.141 nan 8.240 nan 0.000 0.496 125 P HA 0.189 nan 4.420 nan 0.000 0.264 125 P C 0.832 177.984 177.300 -0.247 0.000 1.193 125 P CA -0.146 62.860 63.100 -0.156 0.000 0.763 125 P CB 0.521 32.051 31.700 -0.283 0.000 0.810 126 E N 2.728 122.881 120.200 -0.079 0.000 2.077 126 E HA -0.161 4.187 4.350 -0.003 0.000 0.193 126 E C 1.791 178.352 176.600 -0.066 0.000 0.989 126 E CA 1.383 57.749 56.400 -0.057 0.000 0.800 126 E CB -0.437 29.277 29.700 0.023 0.000 0.746 126 E HN 0.713 nan 8.360 nan 0.000 0.452 127 W N 0.571 121.851 121.300 -0.033 0.000 2.425 127 W HA 0.086 4.744 4.660 -0.003 0.000 0.277 127 W C 1.641 178.131 176.519 -0.049 0.000 1.231 127 W CA 0.971 58.287 57.345 -0.048 0.000 1.248 127 W CB -0.783 28.652 29.460 -0.042 0.000 1.117 127 W HN -0.024 nan 8.180 nan 0.000 0.568 128 A N 1.571 123.749 122.820 -1.069 0.000 2.119 128 A HA -0.087 4.231 4.320 -0.003 0.000 0.217 128 A C 2.053 179.371 177.584 -0.443 0.000 1.153 128 A CA 1.106 52.527 52.037 -1.025 0.000 0.692 128 A CB -0.549 17.768 19.000 -1.138 0.000 0.799 128 A HN 0.342 nan 8.150 nan 0.000 0.458 129 K N 0.023 120.232 120.400 -0.319 0.000 2.365 129 K HA -0.080 4.238 4.320 -0.003 0.000 0.199 129 K C 0.645 177.132 176.600 -0.188 0.000 1.045 129 K CA 1.312 57.468 56.287 -0.219 0.000 0.962 129 K CB 0.055 32.451 32.500 -0.173 0.000 0.759 129 K HN 0.848 nan 8.250 nan 0.000 0.469 130 E N -0.205 119.886 120.200 -0.181 0.000 2.968 130 E HA 0.288 4.636 4.350 -0.003 0.000 0.202 130 E C -0.558 175.914 176.600 -0.213 0.000 0.979 130 E CA -0.469 55.807 56.400 -0.207 0.000 1.192 130 E CB 0.810 30.376 29.700 -0.224 0.000 1.059 130 E HN 0.033 nan 8.360 nan 0.000 0.470 131 A N 0.643 123.380 122.820 -0.137 0.000 2.286 131 A HA 0.587 4.905 4.320 -0.003 0.000 0.286 131 A C -0.214 177.321 177.584 -0.082 0.000 1.097 131 A CA -0.524 51.487 52.037 -0.042 0.000 0.821 131 A CB 1.304 20.337 19.000 0.055 0.000 1.076 131 A HN 0.153 nan 8.150 nan 0.000 0.490 132 V N 3.475 123.382 119.914 -0.010 0.000 2.419 132 V HA 0.263 4.381 4.120 -0.003 0.000 0.287 132 V C -0.706 175.369 176.094 -0.033 0.000 1.017 132 V CA -0.448 61.839 62.300 -0.022 0.000 0.844 132 V CB 1.075 32.946 31.823 0.081 0.000 1.011 132 V HN 0.672 nan 8.190 nan 0.000 0.429 133 I N 4.167 124.637 120.570 -0.167 0.000 2.440 133 I HA 0.391 4.559 4.170 -0.003 0.000 0.294 133 I C -0.532 175.571 176.117 -0.023 0.000 0.995 133 I CA -0.667 60.520 61.300 -0.189 0.000 1.306 133 I CB 1.039 38.660 38.000 -0.633 0.000 1.407 133 I HN 0.591 nan 8.210 nan 0.000 0.501 134 Y N 4.491 124.728 120.300 -0.104 0.000 2.328 134 Y HA 0.291 4.839 4.550 -0.003 0.000 0.333 134 Y C 0.298 176.161 175.900 -0.061 0.000 0.958 134 Y CA -0.590 57.478 58.100 -0.054 0.000 1.167 134 Y CB 1.295 39.711 38.460 -0.074 0.000 1.151 134 Y HN 0.608 nan 8.280 nan 0.000 0.470 135 Q N 6.567 126.289 119.800 -0.130 0.000 2.307 135 Q HA 0.426 4.764 4.340 -0.003 0.000 0.259 135 Q C -1.340 174.539 176.000 -0.201 0.000 0.998 135 Q CA -0.192 55.601 55.803 -0.016 0.000 0.923 135 Q CB 0.523 29.448 28.738 0.313 0.000 1.196 135 Q HN 0.760 nan 8.270 nan 0.000 0.416 136 I N 4.822 125.164 120.570 -0.380 0.000 2.339 136 I HA 0.217 4.385 4.170 -0.003 0.000 0.290 136 I C -0.739 175.208 176.117 -0.284 0.000 0.994 136 I CA -0.708 60.332 61.300 -0.434 0.000 1.191 136 I CB 0.942 38.484 38.000 -0.763 0.000 1.343 136 I HN 0.664 nan 8.210 nan 0.000 0.458 137 F N 9.974 129.691 119.950 -0.389 0.000 2.351 137 F HA 0.360 4.885 4.527 -0.003 0.000 0.362 137 F C -1.298 174.364 175.800 -0.230 0.000 1.131 137 F CA -1.958 55.893 58.000 -0.249 0.000 1.187 137 F CB 0.745 39.700 39.000 -0.075 0.000 1.434 137 F HN 0.358 nan 8.300 nan 0.000 0.553 138 P HA -0.314 nan 4.420 nan 0.000 0.219 138 P C 1.295 178.548 177.300 -0.079 0.000 1.158 138 P CA 1.584 64.480 63.100 -0.341 0.000 0.895 138 P CB 0.262 31.407 31.700 -0.925 0.000 0.792 139 E N -0.688 119.469 120.200 -0.072 0.000 2.265 139 E HA -0.155 4.193 4.350 -0.003 0.000 0.196 139 E C 1.614 178.438 176.600 0.374 0.000 0.996 139 E CA 0.885 57.472 56.400 0.313 0.000 0.832 139 E CB 0.021 29.910 29.700 0.314 0.000 0.756 139 E HN 0.211 nan 8.360 nan 0.000 0.491 140 R N -1.543 119.129 120.500 0.288 0.000 2.476 140 R HA 0.116 4.454 4.340 -0.003 0.000 0.276 140 R C 1.636 178.069 176.300 0.221 0.000 0.941 140 R CA -0.235 55.962 56.100 0.162 0.000 1.088 140 R CB -0.516 29.865 30.300 0.136 0.000 1.216 140 R HN 0.154 nan 8.270 nan 0.000 0.533 141 F N 1.250 121.274 119.950 0.123 0.000 2.104 141 F HA 0.281 4.806 4.527 -0.004 0.000 0.288 141 F C 0.317 176.515 175.800 0.663 0.000 1.107 141 F CA 0.749 58.873 58.000 0.207 0.000 1.208 141 F CB 0.410 39.449 39.000 0.065 0.000 1.033 141 F HN -0.055 nan 8.300 nan 0.000 0.478 142 A N 0.466 123.516 122.820 0.382 0.000 2.513 142 A HA 0.362 4.680 4.320 -0.003 0.000 0.296 142 A C -1.702 175.803 177.584 -0.132 0.000 1.052 142 A CA -0.664 51.319 52.037 -0.090 0.000 0.714 142 A CB 0.453 19.278 19.000 -0.292 0.000 1.279 142 A HN 0.222 nan 8.150 nan 0.000 0.397 143 N N 1.856 120.270 118.700 -0.477 0.000 2.558 143 N HA 0.382 5.119 4.740 -0.003 0.000 0.233 143 N C 0.995 176.373 175.510 -0.219 0.000 1.038 143 N CA 0.413 53.340 53.050 -0.205 0.000 0.934 143 N CB 1.144 39.539 38.487 -0.153 0.000 1.175 143 N HN 0.739 nan 8.380 nan 0.000 0.512 144 G N 1.393 110.118 108.800 -0.125 0.000 2.683 144 G HA2 -0.052 3.906 3.960 -0.003 0.000 0.213 144 G HA3 -0.052 3.906 3.960 -0.003 0.000 0.213 144 G C -0.088 174.764 174.900 -0.081 0.000 1.142 144 G CA 0.015 45.039 45.100 -0.127 0.000 0.793 144 G HN 0.565 nan 8.290 nan 0.000 0.534 145 D N -0.757 119.617 120.400 -0.045 0.000 2.402 145 D HA 0.278 4.916 4.640 -0.003 0.000 0.252 145 D C -1.648 174.640 176.300 -0.019 0.000 1.294 145 D CA -1.977 52.006 54.000 -0.029 0.000 0.948 145 D CB 2.398 43.191 40.800 -0.011 0.000 1.202 145 D HN -0.063 nan 8.370 nan 0.000 0.561 146 P HA -0.118 nan 4.420 nan 0.000 0.223 146 P C 1.123 178.411 177.300 -0.020 0.000 1.151 146 P CA 0.593 63.684 63.100 -0.015 0.000 0.787 146 P CB 0.194 31.885 31.700 -0.015 0.000 0.788 147 S N 0.954 116.640 115.700 -0.022 0.000 2.469 147 S HA -0.135 4.333 4.470 -0.003 0.000 0.238 147 S C 1.404 175.984 174.600 -0.034 0.000 0.998 147 S CA 1.172 59.357 58.200 -0.024 0.000 0.957 147 S CB -1.388 61.800 63.200 -0.019 0.000 0.764 147 S HN 0.264 nan 8.310 nan 0.000 0.514 148 N N 0.237 118.915 118.700 -0.037 0.000 2.203 148 N HA 0.171 4.909 4.740 -0.003 0.000 0.207 148 N C -1.176 174.272 175.510 -0.104 0.000 1.130 148 N CA -0.357 52.656 53.050 -0.061 0.000 0.861 148 N CB -0.323 38.140 38.487 -0.041 0.000 1.005 148 N HN 0.101 nan 8.380 nan 0.000 0.507 149 D N 2.941 123.290 120.400 -0.086 0.000 2.425 149 D HA 0.127 4.765 4.640 -0.003 0.000 0.247 149 D C -1.938 174.237 176.300 -0.208 0.000 1.147 149 D CA -0.915 53.012 54.000 -0.122 0.000 0.879 149 D CB 0.811 41.582 40.800 -0.049 0.000 1.179 149 D HN 0.297 nan 8.370 nan 0.000 0.456 150 P HA 0.167 nan 4.420 nan 0.000 0.272 150 P C -2.583 174.552 177.300 -0.275 0.000 1.223 150 P CA -1.259 61.546 63.100 -0.492 0.000 0.784 150 P CB -0.030 30.955 31.700 -1.192 0.000 0.923 151 P HA -0.002 nan 4.420 nan 0.000 0.265 151 P C 0.834 178.179 177.300 0.075 0.000 1.193 151 P CA 0.963 64.054 63.100 -0.015 0.000 0.765 151 P CB 0.030 31.736 31.700 0.011 0.000 0.823 152 G N 1.730 110.572 108.800 0.071 0.000 2.176 152 G HA2 -0.198 3.760 3.960 -0.003 0.000 0.232 152 G HA3 -0.198 3.760 3.960 -0.003 0.000 0.232 152 G C 0.282 175.239 174.900 0.094 0.000 0.986 152 G CA -0.044 45.119 45.100 0.104 0.000 0.643 152 G HN 0.639 nan 8.290 nan 0.000 0.522 153 T N 2.088 116.684 114.554 0.069 0.000 2.866 153 T HA 0.357 4.704 4.350 -0.003 0.000 0.293 153 T C 0.751 175.443 174.700 -0.013 0.000 1.005 153 T CA 0.879 63.003 62.100 0.040 0.000 1.162 153 T CB 0.760 69.649 68.868 0.034 0.000 0.968 153 T HN 0.540 nan 8.240 nan 0.000 0.530 154 E N 1.918 122.024 120.200 -0.156 0.000 2.359 154 E HA 0.262 4.610 4.350 -0.003 0.000 0.255 154 E C 0.091 176.723 176.600 0.053 0.000 1.191 154 E CA -0.932 55.391 56.400 -0.129 0.000 0.952 154 E CB 0.513 30.027 29.700 -0.311 0.000 1.152 154 E HN 0.438 nan 8.360 nan 0.000 0.496 155 Q N 0.830 120.708 119.800 0.130 0.000 2.364 155 Q HA -0.044 4.294 4.340 -0.003 0.000 0.267 155 Q C -1.443 174.780 176.000 0.371 0.000 0.999 155 Q CA 0.137 56.076 55.803 0.227 0.000 0.886 155 Q CB 0.492 29.327 28.738 0.163 0.000 1.243 155 Q HN 0.467 nan 8.270 nan 0.000 0.415 156 W N 5.277 126.701 121.300 0.205 0.000 2.318 156 W HA 0.616 5.275 4.660 -0.003 0.000 0.362 156 W C -1.414 175.168 176.519 0.106 0.000 0.978 156 W CA -0.294 57.167 57.345 0.193 0.000 1.509 156 W CB -0.101 29.456 29.460 0.162 0.000 1.437 156 W HN 0.697 nan 8.180 nan 0.000 0.361 157 A N 4.215 127.113 122.820 0.130 0.000 2.556 157 A HA 0.313 4.631 4.320 -0.003 0.000 0.294 157 A C 0.802 178.374 177.584 -0.021 0.000 1.091 157 A CA -0.664 51.433 52.037 0.100 0.000 0.704 157 A CB 1.857 20.916 19.000 0.099 0.000 1.300 157 A HN 0.536 nan 8.150 nan 0.000 0.406 158 K N 0.003 120.399 120.400 -0.007 0.000 2.209 158 K HA -0.171 4.147 4.320 -0.003 0.000 0.204 158 K C 0.516 177.081 176.600 -0.058 0.000 1.048 158 K CA 2.177 58.430 56.287 -0.056 0.000 0.940 158 K CB -0.122 32.355 32.500 -0.038 0.000 0.729 158 K HN 0.803 nan 8.250 nan 0.000 0.451 159 D N -0.267 120.118 120.400 -0.024 0.000 2.328 159 D HA 0.083 4.721 4.640 -0.003 0.000 0.226 159 D C -0.082 176.215 176.300 -0.006 0.000 1.066 159 D CA -0.207 53.784 54.000 -0.015 0.000 0.861 159 D CB 0.415 41.218 40.800 0.004 0.000 0.912 159 D HN 0.178 nan 8.370 nan 0.000 0.521 160 A N 1.010 123.817 122.820 -0.022 0.000 2.409 160 A HA 0.467 4.785 4.320 -0.003 0.000 0.262 160 A C 0.182 177.760 177.584 -0.011 0.000 1.113 160 A CA -0.603 51.445 52.037 0.019 0.000 0.790 160 A CB 0.402 19.416 19.000 0.024 0.000 1.046 160 A HN 0.079 nan 8.150 nan 0.000 0.496 161 R N 2.913 123.445 120.500 0.053 0.000 2.352 161 R HA 0.339 4.677 4.340 -0.003 0.000 0.304 161 R C -2.936 173.426 176.300 0.104 0.000 1.104 161 R CA -1.860 54.263 56.100 0.039 0.000 0.991 161 R CB 0.625 30.941 30.300 0.025 0.000 1.140 161 R HN 0.497 nan 8.270 nan 0.000 0.540 162 P HA 0.050 nan 4.420 nan 0.000 0.266 162 P C -0.163 177.217 177.300 0.134 0.000 1.193 162 P CA 0.212 63.442 63.100 0.218 0.000 0.770 162 P CB 0.753 32.560 31.700 0.180 0.000 0.836 163 R N 0.932 121.511 120.500 0.132 0.000 2.787 163 R HA 0.248 4.586 4.340 -0.003 0.000 0.271 163 R C 1.507 177.883 176.300 0.126 0.000 0.993 163 R CA -0.833 55.331 56.100 0.106 0.000 0.993 163 R CB 0.573 30.921 30.300 0.080 0.000 1.155 163 R HN 0.606 nan 8.270 nan 0.000 0.486 164 H N 1.908 121.007 119.070 0.049 0.000 2.362 164 H HA -0.196 4.358 4.556 -0.004 0.000 0.294 164 H C 0.126 175.488 175.328 0.057 0.000 1.113 164 H CA 2.659 58.740 56.048 0.054 0.000 1.253 164 H CB 0.246 30.023 29.762 0.025 0.000 1.363 164 H HN 0.674 nan 8.280 nan 0.000 0.494 165 D N -0.729 119.779 120.400 0.180 0.000 2.424 165 D HA 0.124 4.762 4.640 -0.003 0.000 0.220 165 D C 0.225 176.466 176.300 -0.099 0.000 1.150 165 D CA -0.322 53.739 54.000 0.102 0.000 0.831 165 D CB 0.209 41.041 40.800 0.053 0.000 0.981 165 D HN -0.046 nan 8.370 nan 0.000 0.500 166 S N 0.080 115.740 115.700 -0.066 0.000 2.576 166 S HA 0.310 4.778 4.470 -0.003 0.000 0.272 166 S C -0.318 174.115 174.600 -0.278 0.000 1.352 166 S CA -0.077 58.031 58.200 -0.153 0.000 1.021 166 S CB 0.415 63.623 63.200 0.012 0.000 0.887 166 S HN 0.275 nan 8.310 nan 0.000 0.542 167 F N 0.337 120.138 119.950 -0.248 0.000 2.561 167 F HA 0.352 4.877 4.527 -0.003 0.000 0.313 167 F C -0.399 175.173 175.800 -0.379 0.000 1.126 167 F CA -0.664 57.222 58.000 -0.190 0.000 0.918 167 F CB 1.563 40.465 39.000 -0.164 0.000 1.199 167 F HN 0.607 nan 8.300 nan 0.000 0.444 168 Y N 0.460 120.939 120.300 0.298 0.000 2.432 168 Y HA 0.289 4.837 4.550 -0.004 0.000 0.252 168 Y C 1.486 177.629 175.900 0.405 0.000 1.097 168 Y CA 0.305 58.549 58.100 0.241 0.000 1.250 168 Y CB 1.403 39.844 38.460 -0.033 0.000 1.245 168 Y HN 0.789 nan 8.280 nan 0.000 0.522 169 G N 0.403 109.453 108.800 0.417 0.000 2.141 169 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.231 169 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.231 169 G C 0.696 175.825 174.900 0.382 0.000 0.984 169 G CA -0.176 45.111 45.100 0.312 0.000 0.660 169 G HN 0.676 nan 8.290 nan 0.000 0.525 170 G N 0.381 109.513 108.800 0.553 0.000 2.414 170 G HA2 0.538 4.496 3.960 -0.003 0.000 0.236 170 G HA3 0.538 4.496 3.960 -0.003 0.000 0.236 170 G C 0.066 175.199 174.900 0.388 0.000 1.293 170 G CA 1.050 46.444 45.100 0.491 0.000 0.869 170 G HN 1.157 nan 8.290 nan 0.000 0.556 171 D N 0.058 120.625 120.400 0.278 0.000 2.677 171 D HA 0.174 4.812 4.640 -0.003 0.000 0.298 171 D C 1.131 177.519 176.300 0.146 0.000 1.250 171 D CA -0.913 53.244 54.000 0.262 0.000 0.888 171 D CB 0.308 41.234 40.800 0.210 0.000 1.397 171 D HN 0.176 nan 8.370 nan 0.000 0.461 172 L N -0.832 120.452 121.223 0.102 0.000 2.056 172 L HA -0.070 4.268 4.340 -0.003 0.000 0.207 172 L C 2.271 179.176 176.870 0.060 0.000 1.078 172 L CA 1.205 56.075 54.840 0.049 0.000 0.749 172 L CB -0.516 41.559 42.059 0.028 0.000 0.901 172 L HN 0.428 nan 8.230 nan 0.000 0.433 173 K N 0.920 121.349 120.400 0.048 0.000 2.103 173 K HA -0.137 4.181 4.320 -0.003 0.000 0.207 173 K C 1.955 178.554 176.600 -0.002 0.000 1.048 173 K CA 1.582 57.876 56.287 0.012 0.000 0.930 173 K CB -0.755 31.744 32.500 -0.002 0.000 0.716 173 K HN 0.229 nan 8.250 nan 0.000 0.444 174 G N -0.014 108.794 108.800 0.014 0.000 2.446 174 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.217 174 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.217 174 G C 1.537 176.476 174.900 0.066 0.000 1.168 174 G CA 1.187 46.270 45.100 -0.027 0.000 0.771 174 G HN 0.211 nan 8.290 nan 0.000 0.551 175 V N 1.285 121.334 119.914 0.225 0.000 2.332 175 V HA -0.191 3.927 4.120 -0.003 0.000 0.248 175 V C 2.806 179.001 176.094 0.169 0.000 1.055 175 V CA 1.678 64.183 62.300 0.341 0.000 1.038 175 V CB -0.446 31.556 31.823 0.299 0.000 0.651 175 V HN 0.414 nan 8.190 nan 0.000 0.450 176 I N 0.238 120.849 120.570 0.068 0.000 2.163 176 I HA -0.252 3.916 4.170 -0.003 0.000 0.243 176 I C 2.261 178.364 176.117 -0.023 0.000 1.085 176 I CA 1.738 63.043 61.300 0.008 0.000 1.347 176 I CB -0.624 37.363 38.000 -0.023 0.000 1.044 176 I HN 0.320 nan 8.210 nan 0.000 0.408 177 D N 0.693 121.054 120.400 -0.065 0.000 2.265 177 D HA -0.131 4.507 4.640 -0.003 0.000 0.208 177 D C 1.847 178.038 176.300 -0.182 0.000 0.977 177 D CA 0.949 54.866 54.000 -0.139 0.000 0.871 177 D CB -0.173 40.502 40.800 -0.209 0.000 0.925 177 D HN 0.264 nan 8.370 nan 0.000 0.485 178 R N 0.128 120.550 120.500 -0.129 0.000 2.393 178 R HA 0.232 4.570 4.340 -0.003 0.000 0.244 178 R C 2.062 178.426 176.300 0.108 0.000 0.920 178 R CA -0.189 55.834 56.100 -0.130 0.000 1.076 178 R CB -0.130 30.028 30.300 -0.236 0.000 1.119 178 R HN 0.269 nan 8.270 nan 0.000 0.524 179 L N 0.913 122.178 121.223 0.071 0.000 2.127 179 L HA -0.121 4.217 4.340 -0.003 0.000 0.211 179 L C -0.679 176.230 176.870 0.065 0.000 1.089 179 L CA 1.563 56.444 54.840 0.069 0.000 0.757 179 L CB -1.293 40.778 42.059 0.020 0.000 0.899 179 L HN 0.042 nan 8.230 nan 0.000 0.434 180 P HA -0.227 nan 4.420 nan 0.000 0.217 180 P C 1.353 178.722 177.300 0.114 0.000 1.150 180 P CA 1.280 64.412 63.100 0.053 0.000 0.832 180 P CB -0.049 31.668 31.700 0.028 0.000 0.787 181 Y N 0.482 120.808 120.300 0.043 0.000 2.145 181 Y HA -0.176 4.372 4.550 -0.004 0.000 0.286 181 Y C 1.970 177.967 175.900 0.162 0.000 1.145 181 Y CA 1.531 59.714 58.100 0.139 0.000 1.148 181 Y CB -1.063 37.510 38.460 0.189 0.000 0.981 181 Y HN -0.219 nan 8.280 nan 0.000 0.507 182 L N 0.191 121.497 121.223 0.138 0.000 2.083 182 L HA -0.186 4.152 4.340 -0.003 0.000 0.209 182 L C 2.558 179.358 176.870 -0.116 0.000 1.083 182 L CA 1.834 56.623 54.840 -0.084 0.000 0.752 182 L CB -0.595 41.422 42.059 -0.070 0.000 0.899 182 L HN 0.325 nan 8.230 nan 0.000 0.433 183 E N 0.441 120.610 120.200 -0.050 0.000 2.106 183 E HA -0.275 4.073 4.350 -0.003 0.000 0.192 183 E C 2.094 178.644 176.600 -0.082 0.000 0.984 183 E CA 1.149 57.515 56.400 -0.057 0.000 0.806 183 E CB 0.104 29.788 29.700 -0.027 0.000 0.750 183 E HN 0.471 nan 8.360 nan 0.000 0.458 184 E N 0.294 120.453 120.200 -0.069 0.000 2.077 184 E HA -0.218 4.130 4.350 -0.003 0.000 0.193 184 E C 2.226 178.710 176.600 -0.192 0.000 0.989 184 E CA 0.964 57.317 56.400 -0.078 0.000 0.800 184 E CB -0.107 29.608 29.700 0.026 0.000 0.746 184 E HN 0.259 nan 8.360 nan 0.000 0.452 185 L N 0.140 121.212 121.223 -0.251 0.000 2.079 185 L HA -0.028 4.310 4.340 -0.003 0.000 0.210 185 L C 1.533 178.248 176.870 -0.259 0.000 1.081 185 L CA 2.408 57.030 54.840 -0.363 0.000 0.752 185 L CB -0.311 41.576 42.059 -0.286 0.000 0.896 185 L HN 0.389 nan 8.230 nan 0.000 0.433 186 G N -1.308 107.375 108.800 -0.194 0.000 2.138 186 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.193 186 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.193 186 G C 0.250 175.096 174.900 -0.089 0.000 0.998 186 G CA 0.181 45.174 45.100 -0.180 0.000 0.668 186 G HN 0.882 nan 8.290 nan 0.000 0.516 187 V N -0.673 119.203 119.914 -0.064 0.000 2.715 187 V HA 0.745 4.863 4.120 -0.003 0.000 0.299 187 V C 1.273 177.380 176.094 0.022 0.000 1.054 187 V CA 1.008 63.309 62.300 0.002 0.000 1.077 187 V CB 1.224 33.036 31.823 -0.019 0.000 0.972 187 V HN 0.923 nan 8.190 nan 0.000 0.484 188 T N -0.002 114.594 114.554 0.070 0.000 3.054 188 T HA 0.697 5.045 4.350 -0.003 0.000 0.255 188 T C 0.408 175.140 174.700 0.053 0.000 1.035 188 T CA 0.405 62.549 62.100 0.074 0.000 0.941 188 T CB 0.155 69.106 68.868 0.139 0.000 1.026 188 T HN 1.732 nan 8.240 nan 0.000 0.533 189 A N 0.778 123.633 122.820 0.058 0.000 2.589 189 A HA 0.694 5.012 4.320 -0.003 0.000 0.296 189 A C -2.050 175.554 177.584 0.034 0.000 1.062 189 A CA -0.806 51.268 52.037 0.062 0.000 0.686 189 A CB 1.188 20.307 19.000 0.197 0.000 1.282 189 A HN 0.186 nan 8.150 nan 0.000 0.404 190 L N 1.919 123.150 121.223 0.012 0.000 2.333 190 L HA 0.544 4.882 4.340 -0.003 0.000 0.280 190 L C -0.877 175.944 176.870 -0.083 0.000 1.004 190 L CA -0.345 54.421 54.840 -0.124 0.000 0.820 190 L CB 1.277 43.177 42.059 -0.266 0.000 1.247 190 L HN 0.692 nan 8.230 nan 0.000 0.416 191 Y N 4.479 124.641 120.300 -0.230 0.000 2.328 191 Y HA 0.644 5.192 4.550 -0.004 0.000 0.337 191 Y C -1.438 174.314 175.900 -0.247 0.000 0.966 191 Y CA -1.526 56.546 58.100 -0.047 0.000 1.136 191 Y CB 0.827 39.412 38.460 0.209 0.000 1.170 191 Y HN 0.386 nan 8.280 nan 0.000 0.470 192 F N 3.845 123.550 119.950 -0.409 0.000 2.443 192 F HA 0.470 4.995 4.527 -0.003 0.000 0.335 192 F C 0.846 176.204 175.800 -0.736 0.000 1.104 192 F CA -0.620 57.033 58.000 -0.579 0.000 1.013 192 F CB 1.692 40.479 39.000 -0.354 0.000 1.136 192 F HN 0.580 nan 8.300 nan 0.000 0.470 193 T N 0.206 114.460 114.554 -0.500 0.000 2.754 193 T HA 0.332 4.680 4.350 -0.003 0.000 0.286 193 T C -2.659 171.816 174.700 -0.375 0.000 0.997 193 T CA -2.044 59.840 62.100 -0.361 0.000 0.982 193 T CB 0.331 69.031 68.868 -0.279 0.000 1.027 193 T HN 0.188 nan 8.240 nan 0.000 0.529 194 P HA 0.069 nan 4.420 nan 0.000 0.261 194 P C 0.373 177.404 177.300 -0.449 0.000 1.165 194 P CA 0.390 63.156 63.100 -0.558 0.000 0.759 194 P CB -0.048 31.236 31.700 -0.693 0.000 0.772 195 I N -1.090 119.141 120.570 -0.565 0.000 4.442 195 I HA 0.296 4.464 4.170 -0.003 0.000 0.331 195 I C -0.029 176.067 176.117 -0.035 0.000 1.364 195 I CA -0.289 60.848 61.300 -0.272 0.000 1.207 195 I CB 0.010 37.719 38.000 -0.485 0.000 1.298 195 I HN 0.017 nan 8.210 nan 0.000 0.463 196 F N 2.842 122.718 119.950 -0.124 0.000 2.406 196 F HA 0.579 5.104 4.527 -0.003 0.000 0.327 196 F C 1.488 177.274 175.800 -0.023 0.000 1.153 196 F CA -0.976 56.975 58.000 -0.082 0.000 1.218 196 F CB 0.725 39.654 39.000 -0.118 0.000 1.215 196 F HN 0.023 nan 8.300 nan 0.000 0.570 197 A N 2.243 125.201 122.820 0.229 0.000 2.566 197 A HA 0.309 4.626 4.320 -0.003 0.000 0.245 197 A C 0.109 177.744 177.584 0.084 0.000 1.056 197 A CA 0.421 52.530 52.037 0.120 0.000 0.757 197 A CB -0.156 18.914 19.000 0.117 0.000 0.979 197 A HN 0.618 nan 8.150 nan 0.000 0.508 198 S N 3.162 118.887 115.700 0.041 0.000 2.535 198 S HA 0.668 5.136 4.470 -0.003 0.000 0.272 198 S C -2.310 172.301 174.600 0.018 0.000 1.149 198 S CA -0.603 57.617 58.200 0.034 0.000 0.888 198 S CB 1.825 65.030 63.200 0.010 0.000 1.110 198 S HN 0.441 nan 8.310 nan 0.000 0.463 199 P HA 0.060 nan 4.420 nan 0.000 0.229 199 P C 0.671 178.010 177.300 0.065 0.000 1.160 199 P CA 0.373 63.504 63.100 0.053 0.000 0.777 199 P CB -0.099 31.644 31.700 0.071 0.000 0.814 200 S N -1.058 114.642 115.700 -0.001 0.000 2.686 200 S HA 0.169 4.637 4.470 -0.003 0.000 0.270 200 S C 1.232 175.880 174.600 0.080 0.000 1.194 200 S CA -0.429 57.745 58.200 -0.044 0.000 0.990 200 S CB -0.076 62.887 63.200 -0.395 0.000 1.029 200 S HN 0.144 nan 8.310 nan 0.000 0.560 201 H N 0.053 119.086 119.070 -0.062 0.000 2.372 201 H HA -0.035 4.519 4.556 -0.003 0.000 0.301 201 H C 2.105 177.506 175.328 0.122 0.000 1.065 201 H CA 1.705 57.816 56.048 0.105 0.000 1.364 201 H CB -0.127 29.701 29.762 0.111 0.000 1.406 201 H HN 0.961 nan 8.280 nan 0.000 0.521 202 H N 0.121 119.414 119.070 0.372 0.000 2.470 202 H HA 0.108 4.662 4.556 -0.003 0.000 0.289 202 H C 0.681 176.143 175.328 0.224 0.000 1.033 202 H CA 0.612 56.890 56.048 0.382 0.000 1.331 202 H CB 0.106 30.160 29.762 0.487 0.000 1.414 202 H HN -0.087 nan 8.280 nan 0.000 0.545 203 K N -1.276 119.107 120.400 -0.028 0.000 3.230 203 K HA -0.232 4.086 4.320 -0.003 0.000 0.285 203 K C -0.465 176.150 176.600 0.026 0.000 1.196 203 K CA 0.915 57.196 56.287 -0.009 0.000 0.838 203 K CB -2.622 29.863 32.500 -0.025 0.000 1.262 203 K HN 0.570 nan 8.250 nan 0.000 0.492 204 Y N 0.548 121.131 120.300 0.471 0.000 2.482 204 Y HA 0.025 4.573 4.550 -0.003 0.000 0.270 204 Y C 0.741 176.789 175.900 0.248 0.000 1.152 204 Y CA 0.400 58.669 58.100 0.281 0.000 1.292 204 Y CB 0.450 39.011 38.460 0.168 0.000 1.070 204 Y HN 0.191 nan 8.280 nan 0.000 0.528 205 D N -0.102 120.518 120.400 0.366 0.000 2.505 205 D HA 0.071 4.709 4.640 -0.003 0.000 0.242 205 D C -0.403 175.975 176.300 0.129 0.000 1.136 205 D CA -0.312 53.846 54.000 0.263 0.000 0.954 205 D CB 0.073 41.034 40.800 0.270 0.000 1.002 205 D HN -0.109 nan 8.370 nan 0.000 0.512 206 T N 1.003 115.577 114.554 0.035 0.000 2.831 206 T HA 0.290 4.638 4.350 -0.003 0.000 0.291 206 T C 1.343 176.055 174.700 0.021 0.000 0.981 206 T CA 0.032 62.055 62.100 -0.128 0.000 1.174 206 T CB 1.367 69.824 68.868 -0.685 0.000 0.929 206 T HN 0.512 nan 8.240 nan 0.000 0.532 207 A N 2.894 125.770 122.820 0.093 0.000 1.956 207 A HA 0.225 4.543 4.320 -0.003 0.000 0.212 207 A C 0.906 178.680 177.584 0.318 0.000 1.188 207 A CA 0.250 52.419 52.037 0.220 0.000 0.675 207 A CB 0.328 19.423 19.000 0.157 0.000 0.845 207 A HN 0.693 nan 8.150 nan 0.000 0.455 208 D N -2.084 118.450 120.400 0.224 0.000 2.478 208 D HA 0.344 4.982 4.640 -0.003 0.000 0.240 208 D C -0.520 175.908 176.300 0.212 0.000 1.364 208 D CA -0.552 53.626 54.000 0.297 0.000 0.987 208 D CB 0.336 41.257 40.800 0.203 0.000 1.328 208 D HN 0.136 nan 8.370 nan 0.000 0.584 209 Y N 1.963 122.447 120.300 0.307 0.000 2.497 209 Y HA 0.068 4.616 4.550 -0.003 0.000 0.292 209 Y C 1.728 177.604 175.900 -0.039 0.000 1.137 209 Y CA 0.826 59.003 58.100 0.128 0.000 1.285 209 Y CB 0.227 38.874 38.460 0.311 0.000 0.991 209 Y HN 0.416 nan 8.280 nan 0.000 0.556 210 L N -0.590 120.707 121.223 0.124 0.000 2.791 210 L HA 0.465 4.803 4.340 -0.003 0.000 0.239 210 L C 0.278 177.121 176.870 -0.045 0.000 1.203 210 L CA -0.312 54.414 54.840 -0.191 0.000 1.002 210 L CB -0.177 41.560 42.059 -0.537 0.000 1.295 210 L HN 0.012 nan 8.230 nan 0.000 0.504 211 A N 0.319 123.263 122.820 0.207 0.000 2.520 211 A HA 0.623 4.941 4.320 -0.003 0.000 0.298 211 A C -0.627 177.165 177.584 0.347 0.000 1.051 211 A CA -0.508 51.682 52.037 0.255 0.000 0.690 211 A CB 1.717 20.798 19.000 0.135 0.000 1.281 211 A HN -0.061 nan 8.150 nan 0.000 0.402 212 I N 2.072 122.859 120.570 0.362 0.000 2.575 212 I HA 0.080 4.248 4.170 -0.003 0.000 0.285 212 I C 0.649 176.890 176.117 0.208 0.000 1.085 212 I CA 0.086 61.559 61.300 0.289 0.000 1.403 212 I CB 0.804 38.946 38.000 0.237 0.000 1.409 212 I HN 0.728 nan 8.210 nan 0.000 0.557 213 D N 7.989 128.506 120.400 0.195 0.000 2.458 213 D HA 0.030 4.668 4.640 -0.003 0.000 0.243 213 D C -1.672 174.628 176.300 0.001 0.000 1.146 213 D CA -1.210 52.826 54.000 0.059 0.000 0.877 213 D CB 1.801 42.567 40.800 -0.058 0.000 1.176 213 D HN 0.218 nan 8.370 nan 0.000 0.461 214 P HA -0.206 nan 4.420 nan 0.000 0.217 214 P C 1.199 178.441 177.300 -0.096 0.000 1.148 214 P CA 1.503 64.580 63.100 -0.039 0.000 0.834 214 P CB 0.017 31.690 31.700 -0.044 0.000 0.783 215 Q N -2.320 117.334 119.800 -0.243 0.000 2.436 215 Q HA -0.069 4.269 4.340 -0.003 0.000 0.209 215 Q C 1.030 176.895 176.000 -0.225 0.000 0.965 215 Q CA 1.115 56.723 55.803 -0.324 0.000 0.910 215 Q CB -0.530 27.884 28.738 -0.541 0.000 0.980 215 Q HN 0.176 nan 8.270 nan 0.000 0.491 216 F N 0.208 120.137 119.950 -0.035 0.000 2.622 216 F HA 0.487 5.012 4.527 -0.004 0.000 0.288 216 F C 1.307 177.107 175.800 -0.001 0.000 1.120 216 F CA 0.448 58.433 58.000 -0.026 0.000 1.423 216 F CB 0.927 39.894 39.000 -0.056 0.000 1.127 216 F HN 0.266 nan 8.300 nan 0.000 0.588 217 G N -0.341 108.570 108.800 0.184 0.000 2.356 217 G HA2 0.332 4.290 3.960 -0.003 0.000 0.266 217 G HA3 0.332 4.290 3.960 -0.003 0.000 0.266 217 G C -2.106 172.873 174.900 0.133 0.000 1.312 217 G CA -0.299 44.883 45.100 0.137 0.000 0.922 217 G HN 0.097 nan 8.290 nan 0.000 0.480 218 D N -1.518 118.967 120.400 0.142 0.000 2.636 218 D HA 0.610 5.248 4.640 -0.003 0.000 0.275 218 D C 1.157 177.579 176.300 0.205 0.000 1.130 218 D CA -0.705 53.384 54.000 0.149 0.000 1.031 218 D CB 0.899 41.761 40.800 0.102 0.000 1.451 218 D HN 0.663 nan 8.370 nan 0.000 0.505 219 L N 0.039 121.383 121.223 0.202 0.000 2.017 219 L HA 0.074 4.412 4.340 -0.003 0.000 0.208 219 L C -1.076 175.918 176.870 0.207 0.000 1.073 219 L CA 1.976 56.961 54.840 0.242 0.000 0.745 219 L CB -1.631 40.536 42.059 0.179 0.000 0.894 219 L HN 0.361 nan 8.230 nan 0.000 0.432 220 P HA -0.111 nan 4.420 nan 0.000 0.216 220 P C 1.560 178.907 177.300 0.078 0.000 1.150 220 P CA 1.731 64.880 63.100 0.082 0.000 0.837 220 P CB -0.084 31.648 31.700 0.054 0.000 0.786 221 T N -1.184 113.431 114.554 0.102 0.000 2.777 221 T HA -0.126 4.222 4.350 -0.003 0.000 0.266 221 T C 1.433 176.184 174.700 0.085 0.000 1.040 221 T CA 0.873 63.020 62.100 0.077 0.000 1.141 221 T CB -0.959 67.961 68.868 0.086 0.000 0.868 221 T HN 0.015 nan 8.240 nan 0.000 0.444 222 F N 2.587 122.552 119.950 0.024 0.000 2.134 222 F HA -0.094 4.431 4.527 -0.004 0.000 0.299 222 F C 2.413 178.204 175.800 -0.015 0.000 1.097 222 F CA 1.208 59.213 58.000 0.009 0.000 1.264 222 F CB -0.130 38.941 39.000 0.119 0.000 1.001 222 F HN -0.117 nan 8.300 nan 0.000 0.479 223 R N 0.052 120.563 120.500 0.018 0.000 2.091 223 R HA -0.179 4.159 4.340 -0.003 0.000 0.238 223 R C 2.314 178.506 176.300 -0.180 0.000 1.136 223 R CA 1.418 57.457 56.100 -0.102 0.000 0.959 223 R CB -0.753 29.545 30.300 -0.004 0.000 0.856 223 R HN 0.191 nan 8.270 nan 0.000 0.437 224 R N 1.234 121.664 120.500 -0.117 0.000 2.096 224 R HA -0.104 4.234 4.340 -0.003 0.000 0.235 224 R C 2.170 178.368 176.300 -0.171 0.000 1.127 224 R CA 1.006 57.038 56.100 -0.113 0.000 0.968 224 R CB -0.828 29.435 30.300 -0.062 0.000 0.861 224 R HN 0.158 nan 8.270 nan 0.000 0.440 225 L N -0.276 120.811 121.223 -0.226 0.000 2.017 225 L HA -0.094 4.244 4.340 -0.003 0.000 0.208 225 L C 1.941 178.594 176.870 -0.361 0.000 1.073 225 L CA 1.610 56.296 54.840 -0.256 0.000 0.745 225 L CB -0.639 41.248 42.059 -0.287 0.000 0.894 225 L HN 0.041 nan 8.230 nan 0.000 0.432 226 V N 0.124 119.707 119.914 -0.552 0.000 2.255 226 V HA -0.314 3.804 4.120 -0.003 0.000 0.247 226 V C 2.348 178.060 176.094 -0.637 0.000 1.051 226 V CA 2.109 64.004 62.300 -0.676 0.000 1.018 226 V CB -0.832 30.588 31.823 -0.670 0.000 0.641 226 V HN 0.460 nan 8.190 nan 0.000 0.445 227 D N -0.464 119.716 120.400 -0.367 0.000 2.097 227 D HA -0.125 4.513 4.640 -0.003 0.000 0.195 227 D C 2.316 178.540 176.300 -0.127 0.000 0.989 227 D CA 1.039 54.919 54.000 -0.200 0.000 0.827 227 D CB -0.255 40.473 40.800 -0.120 0.000 0.966 227 D HN 0.403 nan 8.370 nan 0.000 0.456 228 E N 0.671 120.793 120.200 -0.130 0.000 2.110 228 E HA -0.096 4.251 4.350 -0.003 0.000 0.193 228 E C 2.056 178.618 176.600 -0.064 0.000 0.988 228 E CA 0.776 57.128 56.400 -0.079 0.000 0.804 228 E CB -0.246 29.410 29.700 -0.073 0.000 0.745 228 E HN 0.217 nan 8.360 nan 0.000 0.458 229 A N 1.020 123.779 122.820 -0.102 0.000 1.873 229 A HA -0.195 4.123 4.320 -0.003 0.000 0.215 229 A C 1.946 179.544 177.584 0.025 0.000 1.186 229 A CA 1.560 53.564 52.037 -0.056 0.000 0.616 229 A CB -0.984 17.962 19.000 -0.091 0.000 0.823 229 A HN 0.349 nan 8.150 nan 0.000 0.442 230 H N -0.078 118.930 119.070 -0.103 0.000 2.319 230 H HA -0.160 4.394 4.556 -0.003 0.000 0.299 230 H C 2.275 177.550 175.328 -0.088 0.000 1.092 230 H CA 1.372 57.353 56.048 -0.110 0.000 1.302 230 H CB -0.042 29.650 29.762 -0.116 0.000 1.373 230 H HN 0.604 nan 8.280 nan 0.000 0.497 231 R N 0.850 121.385 120.500 0.058 0.000 2.328 231 R HA -0.031 4.306 4.340 -0.003 0.000 0.207 231 R C 1.441 177.738 176.300 -0.006 0.000 1.056 231 R CA 0.853 56.958 56.100 0.009 0.000 1.016 231 R CB -0.008 30.290 30.300 -0.003 0.000 0.872 231 R HN 0.082 nan 8.270 nan 0.000 0.471 232 R N 0.198 120.696 120.500 -0.003 0.000 2.334 232 R HA 0.164 4.502 4.340 -0.003 0.000 0.216 232 R C 0.638 176.927 176.300 -0.018 0.000 0.905 232 R CA 0.667 56.759 56.100 -0.013 0.000 1.064 232 R CB 0.604 30.896 30.300 -0.014 0.000 1.046 232 R HN 0.525 nan 8.270 nan 0.000 0.508 233 G N 0.632 109.419 108.800 -0.022 0.000 2.149 233 G HA2 -0.246 3.711 3.960 -0.003 0.000 0.235 233 G HA3 -0.246 3.711 3.960 -0.003 0.000 0.235 233 G C -0.084 174.790 174.900 -0.043 0.000 1.018 233 G CA 0.054 45.129 45.100 -0.042 0.000 0.728 233 G HN 0.249 nan 8.290 nan 0.000 0.508 234 I N 0.330 120.888 120.570 -0.020 0.000 2.389 234 I HA 0.375 4.543 4.170 -0.003 0.000 0.288 234 I C 0.527 176.655 176.117 0.018 0.000 0.999 234 I CA -0.818 60.472 61.300 -0.016 0.000 1.129 234 I CB 1.558 39.550 38.000 -0.014 0.000 1.288 234 I HN -0.041 nan 8.210 nan 0.000 0.444 235 K N 5.563 125.917 120.400 -0.077 0.000 2.098 235 K HA 0.599 4.917 4.320 -0.003 0.000 0.244 235 K C -0.738 175.875 176.600 0.023 0.000 1.014 235 K CA -0.738 55.495 56.287 -0.091 0.000 0.917 235 K CB 1.473 33.663 32.500 -0.516 0.000 1.072 235 K HN 0.356 nan 8.250 nan 0.000 0.477 236 I N 2.854 123.467 120.570 0.071 0.000 2.389 236 I HA 0.302 4.470 4.170 -0.003 0.000 0.288 236 I C -0.629 175.588 176.117 0.168 0.000 0.999 236 I CA -0.645 60.737 61.300 0.137 0.000 1.129 236 I CB 1.280 39.315 38.000 0.059 0.000 1.288 236 I HN 0.413 nan 8.210 nan 0.000 0.444 237 I N 6.931 127.663 120.570 0.269 0.000 2.406 237 I HA 0.451 4.619 4.170 -0.003 0.000 0.290 237 I C -0.004 176.306 176.117 0.320 0.000 0.999 237 I CA -0.561 60.907 61.300 0.279 0.000 1.124 237 I CB 1.852 40.124 38.000 0.452 0.000 1.289 237 I HN 0.285 nan 8.210 nan 0.000 0.441 238 L N 4.367 125.653 121.223 0.106 0.000 2.344 238 L HA 0.447 4.785 4.340 -0.003 0.000 0.272 238 L C 0.161 177.155 176.870 0.206 0.000 1.035 238 L CA -0.746 54.135 54.840 0.068 0.000 0.807 238 L CB 1.814 43.767 42.059 -0.176 0.000 1.237 238 L HN 0.482 nan 8.230 nan 0.000 0.442 239 D N 1.860 122.315 120.400 0.092 0.000 2.313 239 D HA 0.383 5.021 4.640 -0.003 0.000 0.239 239 D C -0.665 175.624 176.300 -0.018 0.000 1.142 239 D CA -0.113 53.949 54.000 0.103 0.000 0.847 239 D CB 1.750 42.578 40.800 0.047 0.000 1.082 239 D HN 0.550 nan 8.370 nan 0.000 0.480 240 A N 3.845 126.652 122.820 -0.022 0.000 2.260 240 A HA 0.440 4.758 4.320 -0.003 0.000 0.314 240 A C -0.274 177.058 177.584 -0.419 0.000 1.257 240 A CA -0.657 51.165 52.037 -0.358 0.000 0.871 240 A CB 0.974 19.377 19.000 -0.995 0.000 1.166 240 A HN 0.383 nan 8.150 nan 0.000 0.522 241 V N 4.335 124.145 119.914 -0.174 0.000 2.192 241 V HA 0.174 4.292 4.120 -0.003 0.000 0.264 241 V C -0.216 175.964 176.094 0.143 0.000 1.155 241 V CA -0.001 62.256 62.300 -0.072 0.000 1.005 241 V CB -0.737 31.062 31.823 -0.039 0.000 1.201 241 V HN 0.841 nan 8.190 nan 0.000 0.468 242 F N 0.974 120.895 119.950 -0.049 0.000 2.765 242 F HA 0.152 4.677 4.527 -0.003 0.000 0.302 242 F C 2.028 177.664 175.800 -0.274 0.000 1.111 242 F CA -0.138 57.755 58.000 -0.178 0.000 1.359 242 F CB -0.523 38.317 39.000 -0.266 0.000 1.097 242 F HN 0.473 nan 8.300 nan 0.000 0.577 243 N N 0.504 119.175 118.700 -0.048 0.000 2.270 243 N HA -0.120 4.618 4.740 -0.003 0.000 0.181 243 N C -0.229 175.330 175.510 0.081 0.000 1.016 243 N CA 0.863 53.906 53.050 -0.013 0.000 0.870 243 N CB 0.094 38.654 38.487 0.121 0.000 0.979 243 N HN 0.406 nan 8.380 nan 0.000 0.431 244 H N -2.488 116.669 119.070 0.145 0.000 3.016 244 H HA 0.756 5.310 4.556 -0.003 0.000 0.362 244 H C -1.177 174.263 175.328 0.186 0.000 1.233 244 H CA -0.863 55.285 56.048 0.167 0.000 1.124 244 H CB 1.289 31.169 29.762 0.198 0.000 1.850 244 H HN 0.075 nan 8.280 nan 0.000 0.549 245 A N 0.880 123.871 122.820 0.285 0.000 2.347 245 A HA 0.836 5.154 4.320 -0.003 0.000 0.301 245 A C 0.402 178.117 177.584 0.217 0.000 1.163 245 A CA -0.571 51.587 52.037 0.202 0.000 0.860 245 A CB 0.715 19.705 19.000 -0.016 0.000 1.367 245 A HN 1.080 nan 8.150 nan 0.000 0.461 246 G N -0.871 108.041 108.800 0.185 0.000 2.504 246 G HA2 0.417 4.375 3.960 -0.003 0.000 0.288 246 G HA3 0.417 4.375 3.960 -0.003 0.000 0.288 246 G C 0.070 175.046 174.900 0.127 0.000 1.182 246 G CA 0.358 45.558 45.100 0.166 0.000 0.894 246 G HN 0.736 nan 8.290 nan 0.000 0.521 247 D N -0.673 119.765 120.400 0.063 0.000 2.378 247 D HA -0.095 4.543 4.640 -0.003 0.000 0.227 247 D C 1.597 178.079 176.300 0.303 0.000 1.012 247 D CA 0.531 54.589 54.000 0.096 0.000 0.905 247 D CB 0.250 41.150 40.800 0.167 0.000 0.895 247 D HN 0.379 nan 8.370 nan 0.000 0.532 248 Q N -1.121 118.826 119.800 0.246 0.000 2.356 248 Q HA 0.186 4.524 4.340 -0.003 0.000 0.205 248 Q C -0.345 175.828 176.000 0.287 0.000 0.901 248 Q CA -0.451 55.486 55.803 0.224 0.000 0.938 248 Q CB -0.125 28.718 28.738 0.175 0.000 1.081 248 Q HN 0.250 nan 8.270 nan 0.000 0.517 249 F N 1.215 121.275 119.950 0.184 0.000 2.602 249 F HA -0.036 4.489 4.527 -0.003 0.000 0.385 249 F C 0.919 176.792 175.800 0.122 0.000 1.063 249 F CA -0.857 57.275 58.000 0.220 0.000 1.233 249 F CB 0.180 39.346 39.000 0.277 0.000 1.067 249 F HN 0.217 nan 8.300 nan 0.000 0.564 250 F N 4.986 124.687 119.950 -0.415 0.000 2.085 250 F HA -0.232 4.293 4.527 -0.003 0.000 0.299 250 F C 1.835 177.217 175.800 -0.696 0.000 1.096 250 F CA 1.815 59.510 58.000 -0.508 0.000 1.227 250 F CB -1.360 37.349 39.000 -0.485 0.000 0.983 250 F HN 0.432 nan 8.300 nan 0.000 0.482 251 A N 0.238 121.493 122.820 -2.608 0.000 1.908 251 A HA -0.159 4.159 4.320 -0.003 0.000 0.218 251 A C 2.189 179.430 177.584 -0.571 0.000 1.181 251 A CA 1.690 52.561 52.037 -1.943 0.000 0.627 251 A CB -1.614 16.263 19.000 -1.873 0.000 0.818 251 A HN 0.577 nan 8.150 nan 0.000 0.445 252 F N 0.404 120.139 119.950 -0.358 0.000 2.146 252 F HA -0.075 4.450 4.527 -0.003 0.000 0.298 252 F C 2.418 178.008 175.800 -0.350 0.000 1.096 252 F CA 1.547 59.260 58.000 -0.478 0.000 1.275 252 F CB -0.244 38.495 39.000 -0.435 0.000 1.008 252 F HN 0.099 nan 8.300 nan 0.000 0.480 253 R N 0.016 120.398 120.500 -0.197 0.000 2.105 253 R HA -0.213 4.125 4.340 -0.003 0.000 0.239 253 R C 2.164 178.310 176.300 -0.258 0.000 1.135 253 R CA 1.634 57.617 56.100 -0.196 0.000 0.967 253 R CB -0.803 29.456 30.300 -0.067 0.000 0.861 253 R HN 0.396 nan 8.270 nan 0.000 0.442 254 D N 0.222 120.458 120.400 -0.273 0.000 2.144 254 D HA -0.113 4.525 4.640 -0.003 0.000 0.200 254 D C 1.723 177.901 176.300 -0.203 0.000 0.978 254 D CA 1.020 54.903 54.000 -0.194 0.000 0.833 254 D CB 0.307 41.011 40.800 -0.161 0.000 0.961 254 D HN 0.018 nan 8.370 nan 0.000 0.470 255 V N 1.205 120.940 119.914 -0.300 0.000 2.427 255 V HA -0.193 3.925 4.120 -0.003 0.000 0.248 255 V C 2.683 178.576 176.094 -0.336 0.000 1.051 255 V CA 0.889 63.017 62.300 -0.287 0.000 1.048 255 V CB -0.365 31.232 31.823 -0.378 0.000 0.666 255 V HN 0.258 nan 8.190 nan 0.000 0.456 256 L N -0.633 120.288 121.223 -0.504 0.000 2.275 256 L HA -0.170 4.168 4.340 -0.003 0.000 0.215 256 L C 2.490 179.243 176.870 -0.195 0.000 1.119 256 L CA 1.312 55.926 54.840 -0.376 0.000 0.790 256 L CB -0.335 41.473 42.059 -0.418 0.000 0.919 256 L HN 0.432 nan 8.230 nan 0.000 0.443 257 Q N -0.515 119.179 119.800 -0.178 0.000 2.287 257 Q HA -0.029 4.309 4.340 -0.003 0.000 0.201 257 Q C 1.700 177.634 176.000 -0.109 0.000 0.946 257 Q CA 0.642 56.375 55.803 -0.117 0.000 0.868 257 Q CB 0.268 28.947 28.738 -0.099 0.000 0.967 257 Q HN 0.362 nan 8.270 nan 0.000 0.516 258 K N 0.299 120.625 120.400 -0.124 0.000 2.367 258 K HA 0.159 4.477 4.320 -0.003 0.000 0.194 258 K C 1.037 177.525 176.600 -0.187 0.000 1.027 258 K CA 0.437 56.646 56.287 -0.129 0.000 1.075 258 K CB 0.665 33.099 32.500 -0.110 0.000 0.845 258 K HN 0.263 nan 8.250 nan 0.000 0.529 259 G N 2.865 111.548 108.800 -0.195 0.000 2.685 259 G HA2 -0.471 3.486 3.960 -0.003 0.000 0.329 259 G HA3 -0.471 3.486 3.960 -0.003 0.000 0.329 259 G C 0.913 175.440 174.900 -0.621 0.000 1.271 259 G CA 0.943 45.849 45.100 -0.324 0.000 1.003 259 G HN 0.452 nan 8.290 nan 0.000 0.549 260 E N -0.159 119.428 120.200 -1.022 0.000 2.171 260 E HA -0.204 4.144 4.350 -0.003 0.000 0.197 260 E C 2.323 178.693 176.600 -0.384 0.000 0.997 260 E CA 1.811 57.675 56.400 -0.893 0.000 0.810 260 E CB -0.096 29.204 29.700 -0.666 0.000 0.738 260 E HN 0.536 nan 8.360 nan 0.000 0.467 261 Q N 0.210 119.837 119.800 -0.288 0.000 2.322 261 Q HA 0.143 4.480 4.340 -0.003 0.000 0.203 261 Q C -0.051 175.858 176.000 -0.151 0.000 0.923 261 Q CA -0.057 55.638 55.803 -0.179 0.000 0.949 261 Q CB 0.864 29.517 28.738 -0.143 0.000 1.039 261 Q HN -0.052 nan 8.270 nan 0.000 0.496 262 S N 0.135 115.741 115.700 -0.158 0.000 2.531 262 S HA 0.124 4.592 4.470 -0.003 0.000 0.279 262 S C 1.088 175.603 174.600 -0.142 0.000 1.305 262 S CA -0.481 57.653 58.200 -0.110 0.000 1.058 262 S CB 0.712 63.870 63.200 -0.070 0.000 0.899 262 S HN 0.242 nan 8.310 nan 0.000 0.493 263 R N 3.867 124.227 120.500 -0.233 0.000 2.241 263 R HA -0.007 4.331 4.340 -0.003 0.000 0.224 263 R C 0.190 176.047 176.300 -0.739 0.000 1.101 263 R CA 1.730 57.541 56.100 -0.481 0.000 0.995 263 R CB -0.408 29.501 30.300 -0.652 0.000 0.870 263 R HN 0.821 nan 8.270 nan 0.000 0.463 264 Y N -0.098 120.020 120.300 -0.303 0.000 2.584 264 Y HA 0.200 4.748 4.550 -0.003 0.000 0.254 264 Y C 1.303 177.193 175.900 -0.016 0.000 1.177 264 Y CA -0.296 57.519 58.100 -0.476 0.000 1.216 264 Y CB 0.181 38.141 38.460 -0.834 0.000 1.172 264 Y HN 0.080 nan 8.280 nan 0.000 0.529 265 K N -0.477 120.013 120.400 0.151 0.000 2.113 265 K HA -0.190 4.128 4.320 -0.003 0.000 0.208 265 K C 0.267 177.059 176.600 0.319 0.000 1.047 265 K CA 2.113 58.568 56.287 0.280 0.000 0.928 265 K CB -0.174 32.472 32.500 0.244 0.000 0.716 265 K HN 0.112 nan 8.250 nan 0.000 0.446 266 D N -0.452 120.094 120.400 0.244 0.000 2.324 266 D HA -0.027 4.611 4.640 -0.003 0.000 0.235 266 D C 0.384 176.787 176.300 0.173 0.000 1.095 266 D CA 0.308 54.408 54.000 0.167 0.000 0.871 266 D CB -0.095 40.764 40.800 0.099 0.000 0.906 266 D HN 0.377 nan 8.370 nan 0.000 0.522 267 W N -0.128 121.105 121.300 -0.113 0.000 3.197 267 W HA 0.201 4.859 4.660 -0.004 0.000 0.274 267 W C 0.199 176.256 176.519 -0.769 0.000 1.297 267 W CA -0.207 56.870 57.345 -0.446 0.000 1.662 267 W CB -0.044 29.090 29.460 -0.543 0.000 1.106 267 W HN -0.195 nan 8.180 nan 0.000 0.663 268 F N -2.154 117.912 119.950 0.193 0.000 2.691 268 F HA 0.450 4.975 4.527 -0.004 0.000 0.334 268 F C -0.724 175.068 175.800 -0.014 0.000 1.107 268 F CA -1.765 56.339 58.000 0.174 0.000 0.991 268 F CB 0.392 39.579 39.000 0.312 0.000 1.400 268 F HN -0.533 nan 8.300 nan 0.000 0.503 269 F N 2.385 122.562 119.950 0.379 0.000 2.300 269 F HA 0.469 4.994 4.527 -0.003 0.000 0.364 269 F C -0.303 175.635 175.800 0.230 0.000 1.090 269 F CA -0.308 57.834 58.000 0.236 0.000 1.200 269 F CB 0.300 39.407 39.000 0.178 0.000 1.493 269 F HN 0.012 nan 8.300 nan 0.000 0.518 270 I N 2.736 123.459 120.570 0.256 0.000 2.321 270 I HA 0.226 4.394 4.170 -0.003 0.000 0.291 270 I C 0.771 176.879 176.117 -0.014 0.000 0.998 270 I CA -0.404 60.961 61.300 0.108 0.000 1.227 270 I CB 1.669 39.623 38.000 -0.078 0.000 1.368 270 I HN 0.419 nan 8.210 nan 0.000 0.466 271 E N 3.206 123.402 120.200 -0.007 0.000 2.015 271 E HA -0.056 4.292 4.350 -0.003 0.000 0.191 271 E C -0.492 176.027 176.600 -0.135 0.000 0.991 271 E CA 1.464 57.844 56.400 -0.033 0.000 0.802 271 E CB 0.204 29.901 29.700 -0.006 0.000 0.759 271 E HN 0.668 nan 8.360 nan 0.000 0.447 272 D N -2.957 117.304 120.400 -0.232 0.000 2.752 272 D HA 0.418 5.055 4.640 -0.003 0.000 0.313 272 D C -1.177 174.834 176.300 -0.482 0.000 1.225 272 D CA -0.637 53.194 54.000 -0.280 0.000 0.976 272 D CB 1.041 41.800 40.800 -0.069 0.000 1.443 272 D HN -0.145 nan 8.370 nan 0.000 0.515 273 F N 0.375 120.352 119.950 0.045 0.000 2.577 273 F HA 0.516 5.041 4.527 -0.003 0.000 0.318 273 F C -1.649 174.165 175.800 0.023 0.000 1.065 273 F CA -1.601 56.417 58.000 0.030 0.000 0.929 273 F CB 0.587 39.594 39.000 0.012 0.000 1.237 273 F HN 0.065 nan 8.300 nan 0.000 0.468 274 P HA 0.054 nan 4.420 nan 0.000 0.267 274 P C 0.747 178.176 177.300 0.216 0.000 1.200 274 P CA -0.144 63.096 63.100 0.233 0.000 0.772 274 P CB 0.927 32.697 31.700 0.117 0.000 0.855 275 V N 0.313 120.392 119.914 0.275 0.000 2.546 275 V HA -0.151 3.966 4.120 -0.003 0.000 0.254 275 V C 1.435 177.627 176.094 0.162 0.000 1.076 275 V CA 2.110 64.499 62.300 0.148 0.000 1.087 275 V CB -1.049 30.787 31.823 0.023 0.000 0.674 275 V HN 0.975 nan 8.190 nan 0.000 0.470 276 S N -1.362 114.427 115.700 0.149 0.000 2.660 276 S HA 0.558 5.026 4.470 -0.003 0.000 0.264 276 S C -1.689 172.989 174.600 0.130 0.000 1.131 276 S CA -0.349 57.977 58.200 0.209 0.000 0.846 276 S CB 1.487 64.906 63.200 0.365 0.000 1.151 276 S HN 0.655 nan 8.310 nan 0.000 0.486 277 K N -0.257 120.222 120.400 0.131 0.000 2.809 277 K HA 0.381 4.699 4.320 -0.003 0.000 0.293 277 K C -1.548 175.100 176.600 0.080 0.000 1.061 277 K CA -1.044 55.295 56.287 0.087 0.000 0.837 277 K CB 0.165 32.701 32.500 0.060 0.000 1.524 277 K HN 0.459 nan 8.250 nan 0.000 0.370 278 T N 1.628 116.218 114.554 0.060 0.000 2.817 278 T HA 0.163 4.510 4.350 -0.003 0.000 0.295 278 T C 0.200 174.919 174.700 0.033 0.000 0.958 278 T CA 0.886 63.016 62.100 0.050 0.000 1.157 278 T CB 0.173 69.065 68.868 0.041 0.000 0.898 278 T HN 0.720 nan 8.240 nan 0.000 0.536 279 S N 0.753 116.469 115.700 0.027 0.000 2.857 279 S HA -0.167 4.301 4.470 -0.003 0.000 0.268 279 S C 0.371 174.967 174.600 -0.006 0.000 1.297 279 S CA 1.173 59.377 58.200 0.007 0.000 1.280 279 S CB -0.786 62.418 63.200 0.007 0.000 1.562 279 S HN 0.849 nan 8.310 nan 0.000 0.661 280 R N 1.322 121.820 120.500 -0.002 0.000 2.575 280 R HA 0.671 5.008 4.340 -0.003 0.000 0.293 280 R C -1.436 174.835 176.300 -0.048 0.000 0.983 280 R CA 0.041 56.129 56.100 -0.020 0.000 0.887 280 R CB 1.582 31.883 30.300 0.002 0.000 1.184 280 R HN 0.052 nan 8.270 nan 0.000 0.445 281 T N 4.261 118.741 114.554 -0.123 0.000 2.879 281 T HA 0.314 4.662 4.350 -0.003 0.000 0.290 281 T C -0.247 174.319 174.700 -0.222 0.000 0.993 281 T CA -0.852 61.071 62.100 -0.296 0.000 0.975 281 T CB 1.039 69.616 68.868 -0.485 0.000 0.981 281 T HN 0.708 nan 8.240 nan 0.000 0.439 282 N N 1.494 120.113 118.700 -0.135 0.000 2.235 282 N HA 0.091 4.829 4.740 -0.003 0.000 0.231 282 N C -0.477 175.083 175.510 0.084 0.000 1.177 282 N CA -0.433 52.606 53.050 -0.017 0.000 0.874 282 N CB 0.296 38.795 38.487 0.020 0.000 1.097 282 N HN 0.734 nan 8.380 nan 0.000 0.518 283 Y N -1.749 118.588 120.300 0.062 0.000 2.545 283 Y HA 0.596 5.144 4.550 -0.003 0.000 0.348 283 Y C -0.086 175.883 175.900 0.115 0.000 1.002 283 Y CA -1.497 56.675 58.100 0.120 0.000 1.039 283 Y CB 0.912 39.489 38.460 0.196 0.000 1.271 283 Y HN -0.169 nan 8.280 nan 0.000 0.467 284 E N 1.434 121.821 120.200 0.312 0.000 2.373 284 E HA 0.407 4.755 4.350 -0.003 0.000 0.267 284 E C -0.498 176.231 176.600 0.214 0.000 1.032 284 E CA 0.059 56.549 56.400 0.149 0.000 0.889 284 E CB 0.889 30.620 29.700 0.053 0.000 0.984 284 E HN 0.886 nan 8.360 nan 0.000 0.425 285 T N 0.688 115.283 114.554 0.070 0.000 2.804 285 T HA 0.339 4.687 4.350 -0.003 0.000 0.290 285 T C -0.445 174.272 174.700 0.028 0.000 1.099 285 T CA -0.909 61.251 62.100 0.099 0.000 1.011 285 T CB 0.481 69.374 68.868 0.042 0.000 1.291 285 T HN 0.399 nan 8.240 nan 0.000 0.523 286 F N 2.382 122.242 119.950 -0.151 0.000 2.572 286 F HA 0.450 4.975 4.527 -0.003 0.000 0.370 286 F C 1.010 176.717 175.800 -0.154 0.000 1.103 286 F CA 0.818 58.673 58.000 -0.241 0.000 1.286 286 F CB -0.489 38.097 39.000 -0.689 0.000 1.105 286 F HN 1.364 nan 8.300 nan 0.000 0.583 287 A N 2.875 125.105 122.820 -0.984 0.000 5.471 287 A HA -0.225 4.093 4.320 -0.003 0.000 0.292 287 A C -0.625 176.735 177.584 -0.373 0.000 2.024 287 A CA 0.784 52.340 52.037 -0.802 0.000 0.716 287 A CB -2.075 16.288 19.000 -1.062 0.000 1.221 287 A HN 1.376 nan 8.150 nan 0.000 0.364 288 V N 0.837 120.584 119.914 -0.278 0.000 2.444 288 V HA 0.560 4.678 4.120 -0.003 0.000 0.294 288 V C 0.227 176.246 176.094 -0.126 0.000 1.022 288 V CA 0.560 62.757 62.300 -0.171 0.000 0.850 288 V CB 0.926 32.666 31.823 -0.138 0.000 0.992 288 V HN 1.037 nan 8.190 nan 0.000 0.426 289 Q N 2.284 122.012 119.800 -0.121 0.000 2.447 289 Q HA -0.154 4.184 4.340 -0.003 0.000 0.348 289 Q C -0.410 175.548 176.000 -0.070 0.000 1.421 289 Q CA 0.219 55.955 55.803 -0.112 0.000 0.978 289 Q CB -0.799 27.884 28.738 -0.093 0.000 1.191 289 Q HN 0.597 nan 8.270 nan 0.000 0.371 290 V N 1.437 121.323 119.914 -0.047 0.000 2.250 290 V HA 0.110 4.228 4.120 -0.003 0.000 0.268 290 V C -0.892 175.233 176.094 0.052 0.000 1.043 290 V CA -0.886 61.433 62.300 0.031 0.000 0.814 290 V CB 0.966 32.852 31.823 0.106 0.000 1.072 290 V HN 0.297 nan 8.190 nan 0.000 0.451 291 P HA -0.201 nan 4.420 nan 0.000 0.218 291 P C 1.266 178.706 177.300 0.234 0.000 1.146 291 P CA 1.682 64.875 63.100 0.154 0.000 0.813 291 P CB 0.499 32.280 31.700 0.136 0.000 0.778 292 A N -1.084 121.832 122.820 0.160 0.000 2.206 292 A HA 0.104 4.422 4.320 -0.003 0.000 0.211 292 A C 1.557 179.210 177.584 0.114 0.000 1.158 292 A CA 0.518 52.641 52.037 0.144 0.000 0.761 292 A CB -0.711 18.387 19.000 0.163 0.000 0.801 292 A HN 0.182 nan 8.150 nan 0.000 0.473 293 M N 1.644 121.312 119.600 0.114 0.000 2.488 293 M HA 0.235 4.713 4.480 -0.003 0.000 0.204 293 M C -2.924 173.452 176.300 0.127 0.000 0.969 293 M CA -1.672 53.693 55.300 0.108 0.000 0.720 293 M CB 1.576 34.176 32.600 0.000 0.000 1.427 293 M HN -0.040 nan 8.290 nan 0.000 0.427 294 P HA 0.079 nan 4.420 nan 0.000 0.276 294 P C -0.749 176.750 177.300 0.332 0.000 1.235 294 P CA -0.018 63.141 63.100 0.098 0.000 0.772 294 P CB 0.842 32.126 31.700 -0.694 0.000 0.871 295 K N 4.098 124.739 120.400 0.402 0.000 2.401 295 K HA 0.149 4.467 4.320 -0.003 0.000 0.278 295 K C -0.299 176.585 176.600 0.473 0.000 1.018 295 K CA -0.319 56.213 56.287 0.408 0.000 0.981 295 K CB 0.069 32.736 32.500 0.279 0.000 0.933 295 K HN 0.465 nan 8.250 nan 0.000 0.477 296 L N 4.420 125.805 121.223 0.271 0.000 2.312 296 L HA 0.304 4.642 4.340 -0.003 0.000 0.281 296 L C 0.842 177.745 176.870 0.056 0.000 1.070 296 L CA -0.408 54.454 54.840 0.037 0.000 0.805 296 L CB 1.099 43.075 42.059 -0.139 0.000 1.174 296 L HN 0.605 nan 8.230 nan 0.000 0.434 297 R N 1.306 121.733 120.500 -0.123 0.000 3.266 297 R HA 0.039 4.377 4.340 -0.003 0.000 0.224 297 R C 1.100 177.243 176.300 -0.261 0.000 1.525 297 R CA 0.014 56.014 56.100 -0.166 0.000 1.364 297 R CB 0.093 30.113 30.300 -0.466 0.000 1.276 297 R HN 0.839 nan 8.270 nan 0.000 0.660 298 T N -1.386 113.012 114.554 -0.260 0.000 2.996 298 T HA -0.124 4.224 4.350 -0.003 0.000 0.271 298 T C 1.079 175.640 174.700 -0.231 0.000 1.126 298 T CA 1.072 62.934 62.100 -0.397 0.000 1.103 298 T CB 0.019 68.415 68.868 -0.787 0.000 0.870 298 T HN 0.557 nan 8.240 nan 0.000 0.528 299 E N 1.076 121.183 120.200 -0.155 0.000 2.285 299 E HA 0.030 4.378 4.350 -0.003 0.000 0.194 299 E C 0.795 177.310 176.600 -0.141 0.000 0.997 299 E CA -0.097 56.246 56.400 -0.094 0.000 0.845 299 E CB 0.010 29.691 29.700 -0.031 0.000 0.782 299 E HN 0.427 nan 8.360 nan 0.000 0.491 300 N N 1.670 120.237 118.700 -0.223 0.000 2.431 300 N HA -0.014 4.724 4.740 -0.003 0.000 0.265 300 N C -1.690 173.644 175.510 -0.294 0.000 1.184 300 N CA -1.515 51.380 53.050 -0.258 0.000 0.943 300 N CB 1.095 39.369 38.487 -0.355 0.000 1.080 300 N HN -0.101 nan 8.380 nan 0.000 0.477 301 P HA -0.169 nan 4.420 nan 0.000 0.218 301 P C 0.482 177.622 177.300 -0.266 0.000 1.146 301 P CA 1.386 64.357 63.100 -0.216 0.000 0.813 301 P CB 0.519 32.140 31.700 -0.132 0.000 0.778 302 E N -0.414 119.607 120.200 -0.299 0.000 2.072 302 E HA -0.061 4.287 4.350 -0.003 0.000 0.190 302 E C 2.170 178.365 176.600 -0.676 0.000 0.982 302 E CA 0.694 56.908 56.400 -0.310 0.000 0.803 302 E CB -0.335 29.301 29.700 -0.105 0.000 0.755 302 E HN 0.066 nan 8.360 nan 0.000 0.453 303 V N 1.954 121.265 119.914 -1.006 0.000 2.358 303 V HA -0.262 3.856 4.120 -0.003 0.000 0.246 303 V C 2.415 178.180 176.094 -0.548 0.000 1.047 303 V CA 1.720 63.387 62.300 -1.054 0.000 1.035 303 V CB -0.436 30.856 31.823 -0.885 0.000 0.658 303 V HN 0.212 nan 8.190 nan 0.000 0.452 304 K N 0.264 120.388 120.400 -0.462 0.000 2.009 304 K HA -0.299 4.019 4.320 -0.003 0.000 0.210 304 K C 2.212 178.391 176.600 -0.701 0.000 1.049 304 K CA 2.264 58.249 56.287 -0.502 0.000 0.929 304 K CB -0.173 31.986 32.500 -0.568 0.000 0.714 304 K HN 0.412 nan 8.250 nan 0.000 0.440 305 E N -0.002 119.914 120.200 -0.473 0.000 2.118 305 E HA -0.226 4.122 4.350 -0.003 0.000 0.195 305 E C 1.846 178.393 176.600 -0.087 0.000 0.992 305 E CA 1.455 57.703 56.400 -0.254 0.000 0.804 305 E CB -0.471 29.164 29.700 -0.109 0.000 0.741 305 E HN 0.474 nan 8.360 nan 0.000 0.458 306 Y N 0.343 120.530 120.300 -0.188 0.000 2.163 306 Y HA -0.094 4.454 4.550 -0.003 0.000 0.288 306 Y C 1.895 177.733 175.900 -0.103 0.000 1.136 306 Y CA 1.787 59.859 58.100 -0.045 0.000 1.147 306 Y CB -0.151 38.336 38.460 0.045 0.000 0.987 306 Y HN 0.044 nan 8.280 nan 0.000 0.509 307 L N -1.093 120.048 121.223 -0.136 0.000 2.141 307 L HA -0.215 4.122 4.340 -0.003 0.000 0.209 307 L C 2.328 179.110 176.870 -0.148 0.000 1.094 307 L CA 1.238 55.834 54.840 -0.405 0.000 0.763 307 L CB -0.686 40.991 42.059 -0.637 0.000 0.908 307 L HN 0.285 nan 8.230 nan 0.000 0.437 308 F N 0.200 120.017 119.950 -0.223 0.000 2.186 308 F HA -0.224 4.300 4.527 -0.004 0.000 0.299 308 F C 2.315 178.087 175.800 -0.047 0.000 1.090 308 F CA 0.338 58.279 58.000 -0.099 0.000 1.307 308 F CB -0.067 38.871 39.000 -0.104 0.000 1.019 308 F HN 0.165 nan 8.300 nan 0.000 0.489 309 D N 0.156 120.603 120.400 0.080 0.000 2.144 309 D HA -0.136 4.502 4.640 -0.003 0.000 0.199 309 D C 2.347 178.659 176.300 0.020 0.000 0.984 309 D CA 0.900 54.903 54.000 0.005 0.000 0.834 309 D CB -0.408 40.320 40.800 -0.120 0.000 0.955 309 D HN 0.034 nan 8.370 nan 0.000 0.465 310 V N 1.314 121.191 119.914 -0.061 0.000 2.332 310 V HA -0.258 3.859 4.120 -0.003 0.000 0.248 310 V C 2.515 178.914 176.094 0.508 0.000 1.055 310 V CA 1.869 64.253 62.300 0.139 0.000 1.038 310 V CB -0.780 31.102 31.823 0.099 0.000 0.651 310 V HN 0.188 nan 8.190 nan 0.000 0.450 311 A N -0.179 122.898 122.820 0.428 0.000 1.902 311 A HA -0.219 4.099 4.320 -0.003 0.000 0.217 311 A C 2.378 180.315 177.584 0.588 0.000 1.181 311 A CA 1.773 54.165 52.037 0.591 0.000 0.623 311 A CB -0.494 18.727 19.000 0.368 0.000 0.818 311 A HN 0.504 nan 8.150 nan 0.000 0.443 312 R N -1.911 118.787 120.500 0.331 0.000 2.073 312 R HA -0.138 4.200 4.340 -0.003 0.000 0.234 312 R C 2.054 178.494 176.300 0.234 0.000 1.134 312 R CA 1.632 57.872 56.100 0.233 0.000 0.952 312 R CB -0.606 29.778 30.300 0.141 0.000 0.850 312 R HN 0.614 nan 8.270 nan 0.000 0.433 313 F N 0.239 120.220 119.950 0.051 0.000 2.043 313 F HA -0.271 4.254 4.527 -0.004 0.000 0.297 313 F C 1.737 177.451 175.800 -0.143 0.000 1.121 313 F CA 1.693 59.605 58.000 -0.147 0.000 1.199 313 F CB -0.320 38.455 39.000 -0.376 0.000 0.968 313 F HN 0.014 nan 8.300 nan 0.000 0.478 314 W N 0.024 121.533 121.300 0.349 0.000 2.425 314 W HA -0.121 4.537 4.660 -0.003 0.000 0.277 314 W C 2.364 178.968 176.519 0.141 0.000 1.231 314 W CA 0.843 58.325 57.345 0.229 0.000 1.248 314 W CB -0.443 29.317 29.460 0.500 0.000 1.117 314 W HN 0.030 nan 8.180 nan 0.000 0.568 315 M N -0.221 119.613 119.600 0.389 0.000 2.319 315 M HA -0.124 4.354 4.480 -0.003 0.000 0.265 315 M C 1.543 177.906 176.300 0.105 0.000 1.068 315 M CA 1.434 56.880 55.300 0.242 0.000 1.118 315 M CB -0.323 32.450 32.600 0.287 0.000 1.395 315 M HN 0.037 nan 8.290 nan 0.000 0.435 316 E N 0.077 120.286 120.200 0.015 0.000 2.204 316 E HA -0.161 4.187 4.350 -0.003 0.000 0.194 316 E C 1.720 178.262 176.600 -0.096 0.000 0.989 316 E CA 0.657 57.016 56.400 -0.070 0.000 0.824 316 E CB 0.054 29.659 29.700 -0.158 0.000 0.756 316 E HN 0.431 nan 8.360 nan 0.000 0.477 317 Q N -0.539 119.201 119.800 -0.100 0.000 2.482 317 Q HA 0.028 4.366 4.340 -0.003 0.000 0.209 317 Q C 1.181 177.220 176.000 0.065 0.000 0.961 317 Q CA 0.889 56.689 55.803 -0.005 0.000 0.945 317 Q CB 0.606 29.457 28.738 0.188 0.000 1.012 317 Q HN 0.422 nan 8.270 nan 0.000 0.515 318 G N 1.679 110.520 108.800 0.068 0.000 2.132 318 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.234 318 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.234 318 G C 0.358 175.324 174.900 0.109 0.000 0.989 318 G CA 0.330 45.478 45.100 0.081 0.000 0.676 318 G HN 0.508 nan 8.290 nan 0.000 0.522 319 I N -2.728 117.914 120.570 0.120 0.000 3.060 319 I HA 0.450 4.618 4.170 -0.003 0.000 0.285 319 I C 0.589 176.724 176.117 0.031 0.000 1.190 319 I CA 0.038 61.381 61.300 0.071 0.000 1.363 319 I CB 0.570 38.583 38.000 0.020 0.000 1.396 319 I HN -0.057 nan 8.210 nan 0.000 0.607 320 D N 2.687 123.095 120.400 0.015 0.000 2.398 320 D HA 0.316 4.954 4.640 -0.003 0.000 0.210 320 D C 0.541 176.911 176.300 0.117 0.000 1.094 320 D CA 0.339 54.349 54.000 0.016 0.000 0.839 320 D CB 1.235 41.953 40.800 -0.136 0.000 0.963 320 D HN 0.883 nan 8.370 nan 0.000 0.506 321 G N 0.240 109.025 108.800 -0.025 0.000 2.322 321 G HA2 0.359 4.317 3.960 -0.003 0.000 0.295 321 G HA3 0.359 4.317 3.960 -0.003 0.000 0.295 321 G C -2.280 172.498 174.900 -0.203 0.000 1.369 321 G CA -1.042 44.075 45.100 0.028 0.000 0.821 321 G HN 0.025 nan 8.290 nan 0.000 0.536 322 W N -0.310 121.108 121.300 0.197 0.000 2.915 322 W HA 0.780 5.438 4.660 -0.004 0.000 0.337 322 W C -0.120 176.345 176.519 -0.090 0.000 1.102 322 W CA -0.937 56.481 57.345 0.121 0.000 1.224 322 W CB 2.209 31.803 29.460 0.223 0.000 1.416 322 W HN 0.398 nan 8.180 nan 0.000 0.503 323 R N 3.287 123.845 120.500 0.098 0.000 2.310 323 R HA 0.512 4.850 4.340 -0.003 0.000 0.324 323 R C -1.122 175.045 176.300 -0.221 0.000 0.955 323 R CA -0.799 55.144 56.100 -0.262 0.000 0.830 323 R CB 0.621 30.696 30.300 -0.375 0.000 1.154 323 R HN 0.700 nan 8.270 nan 0.000 0.458 324 L N 2.752 123.706 121.223 -0.447 0.000 2.326 324 L HA 0.389 4.727 4.340 -0.003 0.000 0.278 324 L C 0.638 177.279 176.870 -0.382 0.000 1.092 324 L CA -0.371 54.181 54.840 -0.478 0.000 0.810 324 L CB 0.992 42.545 42.059 -0.843 0.000 1.153 324 L HN 0.289 nan 8.230 nan 0.000 0.439 325 D N 1.932 122.196 120.400 -0.227 0.000 2.193 325 D HA 0.230 4.868 4.640 -0.003 0.000 0.244 325 D C 0.261 176.502 176.300 -0.097 0.000 1.064 325 D CA -0.242 53.684 54.000 -0.123 0.000 0.845 325 D CB 2.114 42.932 40.800 0.029 0.000 1.148 325 D HN 0.382 nan 8.370 nan 0.000 0.464 326 V N 2.999 122.845 119.914 -0.114 0.000 5.325 326 V HA -0.324 3.794 4.120 -0.003 0.000 0.291 326 V C 1.667 177.746 176.094 -0.024 0.000 0.541 326 V CA 1.029 63.311 62.300 -0.030 0.000 0.687 326 V CB -2.168 29.771 31.823 0.192 0.000 0.491 326 V HN 0.742 nan 8.190 nan 0.000 1.145 327 A N 1.164 123.882 122.820 -0.170 0.000 1.972 327 A HA -0.192 4.126 4.320 -0.003 0.000 0.219 327 A C 1.810 179.423 177.584 0.048 0.000 1.169 327 A CA 1.834 53.845 52.037 -0.044 0.000 0.635 327 A CB -0.594 18.025 19.000 -0.635 0.000 0.810 327 A HN 1.092 nan 8.150 nan 0.000 0.446 328 N N -0.796 117.745 118.700 -0.265 0.000 2.609 328 N HA -0.094 4.644 4.740 -0.003 0.000 0.190 328 N C 0.857 176.469 175.510 0.171 0.000 1.157 328 N CA 0.869 53.793 53.050 -0.210 0.000 0.918 328 N CB -0.108 38.169 38.487 -0.350 0.000 0.978 328 N HN 0.612 nan 8.380 nan 0.000 0.448 329 E N 0.262 120.549 120.200 0.145 0.000 2.501 329 E HA 0.157 4.505 4.350 -0.003 0.000 0.201 329 E C -0.676 175.982 176.600 0.097 0.000 1.016 329 E CA -0.233 56.244 56.400 0.128 0.000 0.920 329 E CB 1.016 30.775 29.700 0.098 0.000 1.023 329 E HN 0.119 nan 8.360 nan 0.000 0.474 330 V N 2.980 122.982 119.914 0.145 0.000 2.547 330 V HA 0.052 4.170 4.120 -0.003 0.000 0.299 330 V C 0.174 176.247 176.094 -0.034 0.000 1.040 330 V CA -1.011 61.232 62.300 -0.095 0.000 0.913 330 V CB 1.710 33.296 31.823 -0.395 0.000 0.992 330 V HN 0.215 nan 8.190 nan 0.000 0.449 331 D N 2.242 122.568 120.400 -0.123 0.000 2.378 331 D HA -0.034 4.604 4.640 -0.003 0.000 0.238 331 D C 0.637 176.973 176.300 0.060 0.000 1.180 331 D CA -0.001 54.003 54.000 0.007 0.000 0.895 331 D CB 1.008 41.833 40.800 0.042 0.000 1.192 331 D HN 0.617 nan 8.370 nan 0.000 0.438 332 H N 0.690 119.904 119.070 0.240 0.000 2.389 332 H HA -0.002 4.552 4.556 -0.004 0.000 0.299 332 H C 2.124 177.596 175.328 0.239 0.000 1.081 332 H CA 2.064 58.280 56.048 0.280 0.000 1.345 332 H CB -0.074 29.741 29.762 0.088 0.000 1.393 332 H HN 0.630 nan 8.280 nan 0.000 0.520 333 A N 0.572 123.553 122.820 0.268 0.000 1.940 333 A HA -0.215 4.103 4.320 -0.003 0.000 0.219 333 A C 2.120 179.832 177.584 0.214 0.000 1.176 333 A CA 1.543 53.696 52.037 0.193 0.000 0.631 333 A CB -0.955 18.118 19.000 0.122 0.000 0.814 333 A HN 0.487 nan 8.150 nan 0.000 0.446 334 F N -0.903 119.051 119.950 0.006 0.000 2.134 334 F HA -0.167 4.358 4.527 -0.003 0.000 0.299 334 F C 2.003 177.890 175.800 0.145 0.000 1.097 334 F CA 1.652 59.614 58.000 -0.063 0.000 1.264 334 F CB -0.450 38.302 39.000 -0.413 0.000 1.001 334 F HN 0.417 nan 8.300 nan 0.000 0.479 335 W N 0.356 121.992 121.300 0.560 0.000 2.388 335 W HA -0.056 4.602 4.660 -0.004 0.000 0.294 335 W C 2.637 179.368 176.519 0.354 0.000 1.212 335 W CA 0.585 58.245 57.345 0.524 0.000 1.271 335 W CB -0.357 29.414 29.460 0.519 0.000 1.126 335 W HN -0.188 nan 8.180 nan 0.000 0.535 336 R N 0.517 121.290 120.500 0.454 0.000 2.092 336 R HA -0.135 4.203 4.340 -0.003 0.000 0.231 336 R C 1.809 178.225 176.300 0.193 0.000 1.119 336 R CA 1.549 57.806 56.100 0.263 0.000 0.970 336 R CB -0.299 30.105 30.300 0.173 0.000 0.864 336 R HN 0.304 nan 8.270 nan 0.000 0.440 337 E N -0.491 119.830 120.200 0.201 0.000 2.158 337 E HA -0.151 4.197 4.350 -0.003 0.000 0.191 337 E C 1.524 178.101 176.600 -0.038 0.000 0.982 337 E CA 0.615 57.101 56.400 0.143 0.000 0.823 337 E CB -0.050 29.809 29.700 0.265 0.000 0.766 337 E HN 0.196 nan 8.360 nan 0.000 0.468 338 F N 2.091 121.944 119.950 -0.161 0.000 2.102 338 F HA -0.149 4.376 4.527 -0.003 0.000 0.298 338 F C 2.372 178.083 175.800 -0.148 0.000 1.105 338 F CA 1.553 59.312 58.000 -0.401 0.000 1.239 338 F CB -0.047 38.976 39.000 0.038 0.000 0.991 338 F HN -0.219 nan 8.300 nan 0.000 0.474 339 R N 0.393 120.935 120.500 0.070 0.000 2.091 339 R HA -0.195 4.143 4.340 -0.003 0.000 0.238 339 R C 2.623 178.859 176.300 -0.106 0.000 1.136 339 R CA 1.557 57.652 56.100 -0.010 0.000 0.959 339 R CB -0.490 29.889 30.300 0.133 0.000 0.856 339 R HN 0.242 nan 8.270 nan 0.000 0.437 340 R N 0.628 121.080 120.500 -0.080 0.000 2.091 340 R HA -0.178 4.160 4.340 -0.003 0.000 0.238 340 R C 2.326 178.536 176.300 -0.149 0.000 1.136 340 R CA 1.675 57.727 56.100 -0.080 0.000 0.959 340 R CB -0.437 29.838 30.300 -0.041 0.000 0.856 340 R HN 0.288 nan 8.270 nan 0.000 0.437 341 L N 0.678 121.728 121.223 -0.289 0.000 1.988 341 L HA -0.132 4.206 4.340 -0.003 0.000 0.207 341 L C 2.265 178.972 176.870 -0.271 0.000 1.071 341 L CA 1.587 56.226 54.840 -0.336 0.000 0.744 341 L CB -0.705 40.969 42.059 -0.641 0.000 0.893 341 L HN -0.052 nan 8.230 nan 0.000 0.433 342 V N 0.290 119.969 119.914 -0.391 0.000 2.287 342 V HA -0.299 3.819 4.120 -0.003 0.000 0.248 342 V C 2.722 178.774 176.094 -0.070 0.000 1.053 342 V CA 2.034 64.196 62.300 -0.230 0.000 1.027 342 V CB -0.906 30.715 31.823 -0.336 0.000 0.646 342 V HN 0.439 nan 8.190 nan 0.000 0.447 343 K N 0.858 121.218 120.400 -0.066 0.000 2.148 343 K HA -0.082 4.236 4.320 -0.003 0.000 0.204 343 K C 2.427 179.027 176.600 -0.000 0.000 1.050 343 K CA 1.611 57.897 56.287 -0.002 0.000 0.942 343 K CB -0.696 31.809 32.500 0.008 0.000 0.724 343 K HN 0.702 nan 8.250 nan 0.000 0.446 344 S N 0.934 116.618 115.700 -0.027 0.000 2.406 344 S HA -0.027 4.441 4.470 -0.003 0.000 0.228 344 S C 2.149 176.748 174.600 -0.001 0.000 1.020 344 S CA 0.612 58.803 58.200 -0.013 0.000 0.965 344 S CB -0.456 62.728 63.200 -0.027 0.000 0.798 344 S HN 0.174 nan 8.310 nan 0.000 0.488 345 L N 0.704 121.925 121.223 -0.003 0.000 2.209 345 L HA 0.245 4.583 4.340 -0.003 0.000 0.207 345 L C 0.733 177.625 176.870 0.036 0.000 1.094 345 L CA 0.633 55.485 54.840 0.019 0.000 0.790 345 L CB -0.308 41.769 42.059 0.030 0.000 0.932 345 L HN 0.353 nan 8.230 nan 0.000 0.447 346 N N -0.734 117.993 118.700 0.045 0.000 2.793 346 N HA 0.115 4.853 4.740 -0.003 0.000 0.251 346 N C -2.186 173.371 175.510 0.079 0.000 1.308 346 N CA -1.360 51.728 53.050 0.063 0.000 0.781 346 N CB 1.257 39.791 38.487 0.079 0.000 1.439 346 N HN -0.258 nan 8.380 nan 0.000 0.562 347 P HA -0.068 nan 4.420 nan 0.000 0.223 347 P C -0.021 177.353 177.300 0.124 0.000 1.144 347 P CA 1.071 64.220 63.100 0.081 0.000 0.783 347 P CB 0.539 32.278 31.700 0.065 0.000 0.771 348 D N -0.540 119.958 120.400 0.163 0.000 2.339 348 D HA 0.168 4.806 4.640 -0.003 0.000 0.217 348 D C 0.807 177.358 176.300 0.418 0.000 1.050 348 D CA 0.044 54.221 54.000 0.295 0.000 0.856 348 D CB 0.059 41.037 40.800 0.296 0.000 0.922 348 D HN 0.120 nan 8.370 nan 0.000 0.518 349 A N 0.901 123.881 122.820 0.267 0.000 2.450 349 A HA 0.321 4.639 4.320 -0.003 0.000 0.255 349 A C -0.053 177.707 177.584 0.293 0.000 1.096 349 A CA -0.289 51.917 52.037 0.281 0.000 0.778 349 A CB 0.351 19.472 19.000 0.202 0.000 1.031 349 A HN 0.183 nan 8.150 nan 0.000 0.494 350 L N 2.888 124.324 121.223 0.354 0.000 2.357 350 L HA 0.647 4.985 4.340 -0.003 0.000 0.273 350 L C -0.481 176.527 176.870 0.229 0.000 1.080 350 L CA -0.021 54.965 54.840 0.244 0.000 0.803 350 L CB 0.961 43.175 42.059 0.259 0.000 1.174 350 L HN 0.584 nan 8.230 nan 0.000 0.443 351 I N 5.329 125.984 120.570 0.141 0.000 2.448 351 I HA 0.354 4.522 4.170 -0.003 0.000 0.281 351 I C -1.142 174.882 176.117 -0.155 0.000 1.027 351 I CA -0.637 60.725 61.300 0.103 0.000 1.111 351 I CB 1.666 39.793 38.000 0.211 0.000 1.236 351 I HN 0.203 nan 8.210 nan 0.000 0.452 352 V N 4.858 124.545 119.914 -0.379 0.000 2.495 352 V HA 0.699 4.817 4.120 -0.003 0.000 0.298 352 V C 0.628 176.196 176.094 -0.877 0.000 1.031 352 V CA -0.487 61.404 62.300 -0.681 0.000 0.871 352 V CB 1.612 32.764 31.823 -1.118 0.000 0.988 352 V HN 0.815 nan 8.190 nan 0.000 0.432 353 G N 2.445 110.670 108.800 -0.958 0.000 2.491 353 G HA2 0.657 4.615 3.960 -0.003 0.000 0.327 353 G HA3 0.657 4.615 3.960 -0.003 0.000 0.327 353 G C -0.902 173.561 174.900 -0.727 0.000 1.189 353 G CA -0.419 44.025 45.100 -1.093 0.000 0.956 353 G HN 0.726 nan 8.290 nan 0.000 0.491 354 E N 0.058 119.825 120.200 -0.722 0.000 2.267 354 E HA 0.476 4.824 4.350 -0.003 0.000 0.248 354 E C -1.151 174.881 176.600 -0.948 0.000 0.899 354 E CA -0.433 55.489 56.400 -0.796 0.000 0.764 354 E CB 0.778 30.051 29.700 -0.711 0.000 1.227 354 E HN 0.330 nan 8.360 nan 0.000 0.421 355 I N 4.065 124.124 120.570 -0.852 0.000 2.478 355 I HA 0.251 4.419 4.170 -0.003 0.000 0.287 355 I C -0.306 175.574 176.117 -0.394 0.000 1.042 355 I CA -0.706 60.167 61.300 -0.712 0.000 1.067 355 I CB 1.488 39.070 38.000 -0.697 0.000 1.233 355 I HN 0.673 nan 8.210 nan 0.000 0.431 356 W N 6.021 127.211 121.300 -0.184 0.000 3.387 356 W HA 0.160 4.818 4.660 -0.003 0.000 0.403 356 W C 0.624 177.015 176.519 -0.213 0.000 1.073 356 W CA -0.452 56.620 57.345 -0.455 0.000 1.866 356 W CB -0.093 29.152 29.460 -0.358 0.000 0.981 356 W HN 0.557 nan 8.180 nan 0.000 0.802 357 H N -2.607 116.601 119.070 0.230 0.000 2.918 357 H HA 0.110 4.664 4.556 -0.003 0.000 0.303 357 H C -0.827 174.779 175.328 0.464 0.000 1.380 357 H CA -1.195 55.069 56.048 0.360 0.000 1.134 357 H CB 0.193 30.102 29.762 0.245 0.000 1.842 357 H HN -0.274 nan 8.280 nan 0.000 0.533 358 D N 0.321 121.018 120.400 0.495 0.000 2.570 358 D HA 0.050 4.688 4.640 -0.003 0.000 0.243 358 D C 0.442 177.010 176.300 0.448 0.000 1.171 358 D CA 0.658 54.929 54.000 0.452 0.000 0.879 358 D CB 0.435 41.450 40.800 0.358 0.000 1.143 358 D HN 0.623 nan 8.370 nan 0.000 0.511 359 A N 3.119 126.245 122.820 0.510 0.000 2.545 359 A HA 0.067 4.385 4.320 -0.003 0.000 0.277 359 A C 1.848 179.646 177.584 0.356 0.000 1.301 359 A CA 0.297 52.589 52.037 0.425 0.000 0.935 359 A CB -0.157 18.895 19.000 0.087 0.000 1.093 359 A HN 0.555 nan 8.150 nan 0.000 0.519 360 S N -0.586 115.400 115.700 0.477 0.000 2.402 360 S HA -0.135 4.333 4.470 -0.003 0.000 0.233 360 S C 1.879 176.525 174.600 0.077 0.000 1.030 360 S CA 1.511 59.918 58.200 0.345 0.000 1.003 360 S CB -0.856 62.570 63.200 0.378 0.000 0.813 360 S HN 0.713 nan 8.310 nan 0.000 0.477 361 G N -0.331 108.421 108.800 -0.080 0.000 2.509 361 G HA2 -0.079 3.879 3.960 -0.003 0.000 0.218 361 G HA3 -0.079 3.879 3.960 -0.003 0.000 0.218 361 G C 0.952 175.524 174.900 -0.546 0.000 1.124 361 G CA 0.409 45.240 45.100 -0.447 0.000 0.776 361 G HN 0.645 nan 8.290 nan 0.000 0.547 362 W N -0.493 120.711 121.300 -0.160 0.000 3.008 362 W HA 0.430 5.088 4.660 -0.004 0.000 0.355 362 W C 0.541 176.808 176.519 -0.420 0.000 1.095 362 W CA -0.298 56.771 57.345 -0.461 0.000 1.738 362 W CB 0.333 29.242 29.460 -0.919 0.000 1.091 362 W HN 0.043 nan 8.180 nan 0.000 0.574 363 L N 0.740 121.931 121.223 -0.052 0.000 3.154 363 L HA 0.186 4.524 4.340 -0.003 0.000 0.266 363 L C 1.304 178.213 176.870 0.065 0.000 1.300 363 L CA -0.189 54.652 54.840 0.001 0.000 1.028 363 L CB 0.029 42.004 42.059 -0.140 0.000 1.412 363 L HN -0.225 nan 8.230 nan 0.000 0.564 364 M N -0.266 119.258 119.600 -0.127 0.000 2.509 364 M HA 0.261 4.738 4.480 -0.003 0.000 0.250 364 M C 1.493 177.523 176.300 -0.449 0.000 1.132 364 M CA 0.630 55.855 55.300 -0.126 0.000 1.080 364 M CB 0.385 32.927 32.600 -0.096 0.000 1.408 364 M HN 0.342 nan 8.290 nan 0.000 0.484 365 G N -0.266 107.911 108.800 -1.038 0.000 2.255 365 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.196 365 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.196 365 G C 0.421 174.916 174.900 -0.675 0.000 0.998 365 G CA 0.377 44.495 45.100 -1.637 0.000 0.656 365 G HN 0.515 nan 8.290 nan 0.000 0.490 366 D N -0.197 119.981 120.400 -0.369 0.000 2.398 366 D HA 0.275 4.913 4.640 -0.003 0.000 0.210 366 D C 1.454 177.723 176.300 -0.051 0.000 1.094 366 D CA 0.732 54.638 54.000 -0.157 0.000 0.839 366 D CB 0.141 40.887 40.800 -0.089 0.000 0.963 366 D HN 0.537 nan 8.370 nan 0.000 0.506 367 Q N -0.943 118.806 119.800 -0.084 0.000 1.981 367 Q HA 0.282 4.620 4.340 -0.003 0.000 0.157 367 Q C -0.384 175.750 176.000 0.223 0.000 0.503 367 Q CA -0.443 55.397 55.803 0.063 0.000 0.695 367 Q CB 0.493 29.165 28.738 -0.109 0.000 1.038 367 Q HN 0.039 nan 8.270 nan 0.000 0.388 368 F N 1.676 121.635 119.950 0.014 0.000 2.378 368 F HA 0.207 4.732 4.527 -0.004 0.000 0.325 368 F C 1.060 176.884 175.800 0.041 0.000 1.097 368 F CA -1.080 56.901 58.000 -0.033 0.000 1.079 368 F CB 0.255 39.164 39.000 -0.151 0.000 1.240 368 F HN 0.184 nan 8.300 nan 0.000 0.519 369 D N -0.410 120.149 120.400 0.265 0.000 2.240 369 D HA 0.018 4.656 4.640 -0.003 0.000 0.206 369 D C 0.616 177.016 176.300 0.167 0.000 0.963 369 D CA 1.129 55.289 54.000 0.267 0.000 0.863 369 D CB 0.438 41.313 40.800 0.125 0.000 0.973 369 D HN 0.475 nan 8.370 nan 0.000 0.501 370 S N -1.079 114.642 115.700 0.035 0.000 2.683 370 S HA 0.541 5.009 4.470 -0.003 0.000 0.269 370 S C -0.898 173.582 174.600 -0.201 0.000 1.165 370 S CA -0.703 57.449 58.200 -0.081 0.000 0.840 370 S CB 1.682 64.815 63.200 -0.112 0.000 1.169 370 S HN 0.004 nan 8.310 nan 0.000 0.490 371 V N -2.298 117.481 119.914 -0.225 0.000 3.182 371 V HA 0.708 4.826 4.120 -0.003 0.000 0.308 371 V C -0.675 175.313 176.094 -0.178 0.000 1.240 371 V CA -1.408 60.727 62.300 -0.275 0.000 1.063 371 V CB 1.653 33.373 31.823 -0.172 0.000 1.076 371 V HN 0.962 nan 8.190 nan 0.000 0.446 372 M N 3.022 122.552 119.600 -0.116 0.000 2.219 372 M HA 0.294 4.772 4.480 -0.003 0.000 0.353 372 M C 0.168 176.663 176.300 0.325 0.000 1.304 372 M CA 0.277 55.666 55.300 0.149 0.000 1.115 372 M CB -0.461 32.303 32.600 0.275 0.000 1.664 372 M HN 0.855 nan 8.290 nan 0.000 0.459 373 N N 3.608 122.484 118.700 0.293 0.000 2.968 373 N HA 0.009 4.747 4.740 -0.003 0.000 0.271 373 N C 0.603 176.306 175.510 0.321 0.000 1.174 373 N CA -0.084 53.123 53.050 0.263 0.000 1.096 373 N CB -0.159 38.445 38.487 0.196 0.000 1.403 373 N HN 0.535 nan 8.380 nan 0.000 0.522 374 Y N 0.561 121.066 120.300 0.343 0.000 2.333 374 Y HA -0.017 4.531 4.550 -0.004 0.000 0.290 374 Y C 1.463 177.469 175.900 0.178 0.000 1.144 374 Y CA 0.718 58.942 58.100 0.206 0.000 1.228 374 Y CB -0.247 38.249 38.460 0.060 0.000 0.985 374 Y HN 0.229 nan 8.280 nan 0.000 0.542 375 L N -0.770 120.168 121.223 -0.474 0.000 2.093 375 L HA -0.112 4.226 4.340 -0.003 0.000 0.208 375 L C 2.427 179.294 176.870 -0.005 0.000 1.085 375 L CA 1.446 56.106 54.840 -0.300 0.000 0.755 375 L CB -0.616 41.227 42.059 -0.360 0.000 0.904 375 L HN 0.358 nan 8.230 nan 0.000 0.435 376 F N 1.048 120.986 119.950 -0.020 0.000 2.102 376 F HA -0.240 4.286 4.527 -0.003 0.000 0.298 376 F C 2.815 178.691 175.800 0.127 0.000 1.105 376 F CA 1.672 59.721 58.000 0.081 0.000 1.239 376 F CB -0.247 38.838 39.000 0.142 0.000 0.991 376 F HN -0.133 nan 8.300 nan 0.000 0.474 377 R N 0.521 121.211 120.500 0.316 0.000 2.083 377 R HA -0.192 4.146 4.340 -0.003 0.000 0.237 377 R C 2.198 178.555 176.300 0.094 0.000 1.137 377 R CA 2.168 58.390 56.100 0.202 0.000 0.951 377 R CB -0.498 29.955 30.300 0.255 0.000 0.851 377 R HN 0.434 nan 8.270 nan 0.000 0.434 378 E N -0.151 120.101 120.200 0.086 0.000 2.085 378 E HA -0.175 4.173 4.350 -0.003 0.000 0.194 378 E C 2.081 178.700 176.600 0.031 0.000 0.994 378 E CA 1.798 58.235 56.400 0.062 0.000 0.801 378 E CB -0.005 29.733 29.700 0.063 0.000 0.743 378 E HN 0.332 nan 8.360 nan 0.000 0.453 379 S N 0.503 116.195 115.700 -0.013 0.000 2.368 379 S HA -0.148 4.320 4.470 -0.003 0.000 0.225 379 S C 2.376 177.013 174.600 0.062 0.000 1.030 379 S CA 1.353 59.558 58.200 0.009 0.000 0.999 379 S CB -0.274 62.879 63.200 -0.079 0.000 0.844 379 S HN 0.340 nan 8.310 nan 0.000 0.459 380 V N 0.115 120.031 119.914 0.003 0.000 2.667 380 V HA 0.012 4.130 4.120 -0.003 0.000 0.252 380 V C 1.822 178.116 176.094 0.334 0.000 1.065 380 V CA 1.216 63.611 62.300 0.159 0.000 1.083 380 V CB -0.835 31.008 31.823 0.033 0.000 0.692 380 V HN 0.424 nan 8.190 nan 0.000 0.468 381 I N 0.199 120.937 120.570 0.280 0.000 2.202 381 I HA -0.150 4.018 4.170 -0.003 0.000 0.242 381 I C 3.003 179.165 176.117 0.075 0.000 1.091 381 I CA 1.776 63.237 61.300 0.269 0.000 1.368 381 I CB -0.193 37.924 38.000 0.195 0.000 1.058 381 I HN 0.223 nan 8.210 nan 0.000 0.410 382 R N -0.405 120.113 120.500 0.030 0.000 2.115 382 R HA -0.133 4.205 4.340 -0.003 0.000 0.226 382 R C 2.080 178.334 176.300 -0.077 0.000 1.100 382 R CA 1.280 57.363 56.100 -0.027 0.000 0.980 382 R CB -0.280 30.007 30.300 -0.023 0.000 0.875 382 R HN 0.235 nan 8.270 nan 0.000 0.445 383 F N -0.473 119.255 119.950 -0.370 0.000 2.147 383 F HA 0.044 4.569 4.527 -0.004 0.000 0.291 383 F C 1.339 176.757 175.800 -0.637 0.000 1.093 383 F CA 1.184 58.760 58.000 -0.707 0.000 1.263 383 F CB -0.157 37.927 39.000 -1.526 0.000 1.036 383 F HN -0.142 nan 8.300 nan 0.000 0.481 384 F N -0.313 119.435 119.950 -0.336 0.000 2.317 384 F HA 0.174 4.699 4.527 -0.003 0.000 0.293 384 F C 2.388 178.061 175.800 -0.211 0.000 1.085 384 F CA 0.787 58.602 58.000 -0.309 0.000 1.390 384 F CB -0.960 38.006 39.000 -0.057 0.000 1.077 384 F HN 0.037 nan 8.300 nan 0.000 0.517 385 A N 0.104 122.928 122.820 0.007 0.000 1.862 385 A HA -0.069 4.249 4.320 -0.003 0.000 0.211 385 A C 2.166 179.660 177.584 -0.149 0.000 1.220 385 A CA 1.805 53.740 52.037 -0.169 0.000 0.616 385 A CB -1.246 17.532 19.000 -0.370 0.000 0.878 385 A HN 0.323 nan 8.150 nan 0.000 0.453 386 T N -4.585 109.898 114.554 -0.118 0.000 3.051 386 T HA 0.386 4.734 4.350 -0.003 0.000 0.255 386 T C 1.413 176.056 174.700 -0.095 0.000 1.085 386 T CA 1.222 63.262 62.100 -0.099 0.000 1.109 386 T CB 0.065 68.886 68.868 -0.078 0.000 0.921 386 T HN 1.787 nan 8.240 nan 0.000 0.488 387 G N 1.637 110.364 108.800 -0.121 0.000 2.160 387 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.251 387 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.251 387 G C 0.517 175.367 174.900 -0.084 0.000 1.008 387 G CA 0.470 45.495 45.100 -0.124 0.000 0.724 387 G HN 0.598 nan 8.290 nan 0.000 0.514 388 E N -0.574 119.580 120.200 -0.076 0.000 2.204 388 E HA 0.079 4.427 4.350 -0.003 0.000 0.194 388 E C 1.606 178.158 176.600 -0.080 0.000 0.989 388 E CA 1.182 57.544 56.400 -0.065 0.000 0.824 388 E CB 0.068 29.734 29.700 -0.057 0.000 0.756 388 E HN 0.920 nan 8.360 nan 0.000 0.477 389 I N -1.259 119.262 120.570 -0.081 0.000 2.785 389 I HA 0.403 4.571 4.170 -0.003 0.000 0.302 389 I C -0.210 175.899 176.117 -0.014 0.000 1.069 389 I CA -1.413 59.805 61.300 -0.136 0.000 1.045 389 I CB 1.533 39.447 38.000 -0.145 0.000 1.236 389 I HN -0.150 nan 8.210 nan 0.000 0.429 390 H N 3.269 122.382 119.070 0.072 0.000 2.497 390 H HA 0.714 5.268 4.556 -0.004 0.000 0.348 390 H C 1.008 176.415 175.328 0.132 0.000 1.335 390 H CA -0.403 55.722 56.048 0.128 0.000 1.395 390 H CB 0.479 30.276 29.762 0.058 0.000 1.658 390 H HN 0.724 nan 8.280 nan 0.000 0.613 391 A N 0.211 123.300 122.820 0.448 0.000 1.917 391 A HA -0.238 4.079 4.320 -0.003 0.000 0.219 391 A C 1.958 179.583 177.584 0.068 0.000 1.182 391 A CA 1.982 54.099 52.037 0.134 0.000 0.633 391 A CB -0.994 18.165 19.000 0.265 0.000 0.819 391 A HN 0.867 nan 8.150 nan 0.000 0.448 392 E N -1.202 119.145 120.200 0.245 0.000 2.106 392 E HA -0.187 4.161 4.350 -0.003 0.000 0.192 392 E C 2.257 178.924 176.600 0.113 0.000 0.984 392 E CA 1.150 57.637 56.400 0.144 0.000 0.806 392 E CB -0.120 29.620 29.700 0.067 0.000 0.750 392 E HN 0.515 nan 8.360 nan 0.000 0.458 393 R N 0.972 121.561 120.500 0.149 0.000 2.090 393 R HA -0.105 4.233 4.340 -0.003 0.000 0.228 393 R C 1.868 178.071 176.300 -0.163 0.000 1.110 393 R CA 1.115 57.153 56.100 -0.103 0.000 0.973 393 R CB -0.756 29.328 30.300 -0.360 0.000 0.869 393 R HN 0.224 nan 8.270 nan 0.000 0.440 394 F N 0.767 120.450 119.950 -0.446 0.000 2.134 394 F HA -0.201 4.324 4.527 -0.003 0.000 0.299 394 F C 1.881 177.252 175.800 -0.716 0.000 1.097 394 F CA 1.898 59.461 58.000 -0.728 0.000 1.264 394 F CB -0.272 37.883 39.000 -1.410 0.000 1.001 394 F HN 0.176 nan 8.300 nan 0.000 0.479 395 D N 0.603 120.588 120.400 -0.693 0.000 2.097 395 D HA -0.198 4.440 4.640 -0.003 0.000 0.195 395 D C 2.242 178.327 176.300 -0.358 0.000 0.989 395 D CA 1.523 55.143 54.000 -0.633 0.000 0.827 395 D CB -0.403 40.270 40.800 -0.211 0.000 0.966 395 D HN 0.356 nan 8.370 nan 0.000 0.456 396 A N 0.703 123.392 122.820 -0.218 0.000 1.858 396 A HA -0.199 4.119 4.320 -0.003 0.000 0.216 396 A C 2.176 179.674 177.584 -0.144 0.000 1.190 396 A CA 1.841 53.810 52.037 -0.113 0.000 0.617 396 A CB -0.734 18.235 19.000 -0.052 0.000 0.827 396 A HN 0.349 nan 8.150 nan 0.000 0.443 397 E N -0.669 119.408 120.200 -0.205 0.000 2.058 397 E HA -0.202 4.146 4.350 -0.003 0.000 0.194 397 E C 1.917 178.377 176.600 -0.234 0.000 0.997 397 E CA 1.172 57.458 56.400 -0.189 0.000 0.801 397 E CB -0.286 29.299 29.700 -0.192 0.000 0.746 397 E HN 0.387 nan 8.360 nan 0.000 0.450 398 L N 0.828 121.813 121.223 -0.396 0.000 1.989 398 L HA -0.179 4.158 4.340 -0.003 0.000 0.211 398 L C 2.443 179.217 176.870 -0.161 0.000 1.071 398 L CA 1.905 56.537 54.840 -0.346 0.000 0.749 398 L CB -1.197 40.475 42.059 -0.646 0.000 0.890 398 L HN 0.132 nan 8.230 nan 0.000 0.431 399 T N -1.144 113.309 114.554 -0.169 0.000 2.708 399 T HA -0.239 4.109 4.350 -0.003 0.000 0.266 399 T C 2.048 176.622 174.700 -0.210 0.000 1.037 399 T CA 1.486 63.502 62.100 -0.140 0.000 1.146 399 T CB -0.174 68.650 68.868 -0.073 0.000 0.865 399 T HN 0.239 nan 8.240 nan 0.000 0.435 400 R N 0.919 121.340 120.500 -0.132 0.000 2.080 400 R HA -0.092 4.246 4.340 -0.003 0.000 0.236 400 R C 2.644 178.838 176.300 -0.178 0.000 1.137 400 R CA 1.579 57.614 56.100 -0.109 0.000 0.943 400 R CB -0.522 29.776 30.300 -0.004 0.000 0.846 400 R HN 0.379 nan 8.270 nan 0.000 0.431 401 A N 1.054 123.785 122.820 -0.149 0.000 1.908 401 A HA -0.220 4.098 4.320 -0.003 0.000 0.218 401 A C 2.188 179.656 177.584 -0.193 0.000 1.181 401 A CA 1.656 53.598 52.037 -0.158 0.000 0.627 401 A CB -0.633 18.314 19.000 -0.088 0.000 0.818 401 A HN 0.455 nan 8.150 nan 0.000 0.445 402 R N -1.266 119.141 120.500 -0.155 0.000 2.127 402 R HA -0.100 4.237 4.340 -0.003 0.000 0.238 402 R C 1.426 177.574 176.300 -0.253 0.000 1.134 402 R CA 1.751 57.755 56.100 -0.160 0.000 0.975 402 R CB -0.199 30.026 30.300 -0.124 0.000 0.865 402 R HN 0.383 nan 8.270 nan 0.000 0.447 403 M N 0.188 119.565 119.600 -0.371 0.000 2.561 403 M HA 0.003 4.481 4.480 -0.003 0.000 0.238 403 M C 1.305 177.399 176.300 -0.343 0.000 1.131 403 M CA 0.336 55.372 55.300 -0.441 0.000 1.046 403 M CB -0.152 31.942 32.600 -0.844 0.000 1.532 403 M HN 0.152 nan 8.290 nan 0.000 0.497 404 L N -0.894 120.075 121.223 -0.423 0.000 2.056 404 L HA -0.059 4.279 4.340 -0.003 0.000 0.207 404 L C 0.455 176.962 176.870 -0.604 0.000 1.078 404 L CA 1.551 56.022 54.840 -0.615 0.000 0.749 404 L CB -0.657 40.753 42.059 -1.081 0.000 0.901 404 L HN 0.187 nan 8.230 nan 0.000 0.433 405 Y N -2.588 117.685 120.300 -0.045 0.000 2.662 405 Y HA 0.485 5.033 4.550 -0.003 0.000 0.335 405 Y C -2.046 173.757 175.900 -0.161 0.000 1.066 405 Y CA -3.050 55.015 58.100 -0.057 0.000 1.116 405 Y CB 0.020 38.464 38.460 -0.027 0.000 1.308 405 Y HN -0.260 nan 8.280 nan 0.000 0.502 406 P HA -0.016 nan 4.420 nan 0.000 0.269 406 P C 0.447 177.508 177.300 -0.398 0.000 1.215 406 P CA 0.069 62.773 63.100 -0.660 0.000 0.780 406 P CB 0.608 31.793 31.700 -0.858 0.000 0.898 407 E N 1.656 121.679 120.200 -0.294 0.000 2.160 407 E HA -0.306 4.042 4.350 -0.003 0.000 0.195 407 E C 0.982 177.410 176.600 -0.288 0.000 0.991 407 E CA 1.443 57.747 56.400 -0.159 0.000 0.810 407 E CB -0.513 29.185 29.700 -0.004 0.000 0.742 407 E HN 0.410 nan 8.360 nan 0.000 0.466 408 Q N 0.901 120.416 119.800 -0.475 0.000 2.170 408 Q HA -0.034 4.304 4.340 -0.003 0.000 0.203 408 Q C 2.106 177.653 176.000 -0.755 0.000 0.976 408 Q CA 1.939 57.340 55.803 -0.670 0.000 0.858 408 Q CB -0.185 27.957 28.738 -0.994 0.000 0.907 408 Q HN 0.495 nan 8.270 nan 0.000 0.433 409 A N 0.473 122.869 122.820 -0.707 0.000 1.878 409 A HA 0.134 4.452 4.320 -0.003 0.000 0.213 409 A C 2.261 179.739 177.584 -0.176 0.000 1.192 409 A CA 1.094 52.906 52.037 -0.374 0.000 0.619 409 A CB -0.914 17.997 19.000 -0.147 0.000 0.837 409 A HN 0.345 nan 8.150 nan 0.000 0.446 410 A N -0.440 122.312 122.820 -0.114 0.000 1.908 410 A HA -0.262 4.056 4.320 -0.003 0.000 0.218 410 A C 2.185 179.690 177.584 -0.132 0.000 1.181 410 A CA 1.971 53.973 52.037 -0.059 0.000 0.627 410 A CB -0.578 18.380 19.000 -0.070 0.000 0.818 410 A HN 0.571 nan 8.150 nan 0.000 0.445 411 Q N 0.115 119.806 119.800 -0.182 0.000 2.226 411 Q HA -0.114 4.224 4.340 -0.003 0.000 0.204 411 Q C 1.472 177.369 176.000 -0.172 0.000 0.975 411 Q CA 1.882 57.570 55.803 -0.192 0.000 0.866 411 Q CB -0.479 28.141 28.738 -0.197 0.000 0.915 411 Q HN 0.516 nan 8.270 nan 0.000 0.440 412 G N 0.583 109.293 108.800 -0.149 0.000 3.575 412 G HA2 0.290 4.248 3.960 -0.003 0.000 0.273 412 G HA3 0.290 4.248 3.960 -0.003 0.000 0.273 412 G C 0.160 175.079 174.900 0.031 0.000 1.053 412 G CA -0.482 44.566 45.100 -0.086 0.000 0.803 412 G HN 0.157 nan 8.290 nan 0.000 0.528 413 L N 0.662 121.887 121.223 0.005 0.000 2.456 413 L HA 0.190 4.528 4.340 -0.003 0.000 0.272 413 L C 0.014 176.994 176.870 0.184 0.000 1.189 413 L CA -0.772 54.111 54.840 0.072 0.000 0.846 413 L CB 0.605 42.695 42.059 0.052 0.000 1.111 413 L HN 0.143 nan 8.230 nan 0.000 0.475 414 W N 3.256 124.490 121.300 -0.109 0.000 2.585 414 W HA 0.147 4.805 4.660 -0.004 0.000 0.337 414 W C 0.133 176.567 176.519 -0.141 0.000 1.226 414 W CA -0.846 56.429 57.345 -0.118 0.000 1.463 414 W CB -0.573 28.836 29.460 -0.085 0.000 1.458 414 W HN 0.351 nan 8.180 nan 0.000 0.458 415 N N 5.248 123.847 118.700 -0.169 0.000 2.555 415 N HA 0.154 4.892 4.740 -0.003 0.000 0.244 415 N C -0.186 175.147 175.510 -0.296 0.000 1.114 415 N CA -0.175 52.523 53.050 -0.586 0.000 0.963 415 N CB 0.296 37.903 38.487 -1.466 0.000 1.276 415 N HN 0.397 nan 8.380 nan 0.000 0.510 416 L N -1.074 120.191 121.223 0.070 0.000 2.375 416 L HA 0.540 4.878 4.340 -0.003 0.000 0.268 416 L C 0.402 177.437 176.870 0.275 0.000 1.058 416 L CA -0.760 54.186 54.840 0.177 0.000 0.803 416 L CB 1.173 43.373 42.059 0.234 0.000 1.212 416 L HN 0.206 nan 8.230 nan 0.000 0.451 417 L N 0.051 121.368 121.223 0.157 0.000 2.470 417 L HA 0.268 4.606 4.340 -0.003 0.000 0.219 417 L C -0.358 176.612 176.870 0.166 0.000 1.071 417 L CA 0.204 55.058 54.840 0.024 0.000 0.850 417 L CB 0.005 41.889 42.059 -0.291 0.000 1.040 417 L HN 0.903 nan 8.230 nan 0.000 0.475 418 D N -1.967 118.516 120.400 0.138 0.000 2.792 418 D HA 0.473 5.111 4.640 -0.003 0.000 0.335 418 D C -0.676 175.548 176.300 -0.128 0.000 1.353 418 D CA -0.329 53.697 54.000 0.043 0.000 0.839 418 D CB 1.142 41.984 40.800 0.070 0.000 1.396 418 D HN -0.070 nan 8.370 nan 0.000 0.479 419 S N -2.292 113.178 115.700 -0.383 0.000 2.661 419 S HA 0.327 4.795 4.470 -0.003 0.000 0.268 419 S C 0.523 174.708 174.600 -0.692 0.000 1.162 419 S CA -0.494 57.416 58.200 -0.484 0.000 0.817 419 S CB 0.538 63.736 63.200 -0.003 0.000 1.141 419 S HN 0.864 nan 8.310 nan 0.000 0.477 420 H N 0.123 118.943 119.070 -0.416 0.000 2.543 420 H HA 0.142 4.697 4.556 -0.003 0.000 0.286 420 H C -0.140 175.093 175.328 -0.159 0.000 1.037 420 H CA 1.251 57.176 56.048 -0.204 0.000 1.250 420 H CB -0.552 29.167 29.762 -0.072 0.000 1.373 420 H HN 0.582 nan 8.280 nan 0.000 0.580 421 D N 1.116 121.215 120.400 -0.502 0.000 2.398 421 D HA 0.066 4.704 4.640 -0.003 0.000 0.210 421 D C 0.710 176.880 176.300 -0.217 0.000 1.094 421 D CA 0.548 54.330 54.000 -0.363 0.000 0.839 421 D CB 0.877 41.446 40.800 -0.385 0.000 0.963 421 D HN 0.570 nan 8.370 nan 0.000 0.506 422 T N -2.300 112.130 114.554 -0.207 0.000 2.887 422 T HA 0.438 4.786 4.350 -0.003 0.000 0.292 422 T C 0.012 174.647 174.700 -0.108 0.000 1.087 422 T CA -0.966 61.052 62.100 -0.136 0.000 1.009 422 T CB 2.581 71.386 68.868 -0.106 0.000 1.203 422 T HN 0.007 nan 8.240 nan 0.000 0.518 423 E N 0.931 121.094 120.200 -0.062 0.000 2.408 423 E HA 0.205 4.553 4.350 -0.003 0.000 0.259 423 E C -0.335 176.263 176.600 -0.004 0.000 1.110 423 E CA -0.885 55.492 56.400 -0.038 0.000 0.929 423 E CB 0.615 30.292 29.700 -0.037 0.000 0.971 423 E HN 0.414 nan 8.360 nan 0.000 0.438 424 R N 1.147 121.660 120.500 0.022 0.000 2.590 424 R HA 0.020 4.358 4.340 -0.003 0.000 0.274 424 R C 0.765 177.157 176.300 0.154 0.000 1.061 424 R CA -0.053 56.108 56.100 0.102 0.000 1.081 424 R CB 0.116 30.457 30.300 0.069 0.000 0.984 424 R HN 0.676 nan 8.270 nan 0.000 0.448 425 F N 2.256 122.305 119.950 0.165 0.000 2.161 425 F HA -0.245 4.280 4.527 -0.003 0.000 0.300 425 F C 1.973 177.938 175.800 0.274 0.000 1.089 425 F CA 1.398 59.536 58.000 0.231 0.000 1.282 425 F CB -0.082 39.110 39.000 0.319 0.000 1.010 425 F HN 0.473 nan 8.300 nan 0.000 0.485 426 L N -0.158 121.230 121.223 0.274 0.000 2.083 426 L HA -0.163 4.174 4.340 -0.003 0.000 0.209 426 L C 2.155 178.963 176.870 -0.102 0.000 1.083 426 L CA 2.349 57.186 54.840 -0.006 0.000 0.752 426 L CB -1.342 40.501 42.059 -0.360 0.000 0.899 426 L HN 0.110 nan 8.230 nan 0.000 0.433 427 T N -1.105 113.398 114.554 -0.085 0.000 2.821 427 T HA -0.096 4.252 4.350 -0.003 0.000 0.267 427 T C 1.928 176.547 174.700 -0.136 0.000 1.046 427 T CA 1.403 63.444 62.100 -0.098 0.000 1.139 427 T CB -0.218 68.609 68.868 -0.068 0.000 0.871 427 T HN 0.405 nan 8.240 nan 0.000 0.454 428 S N 0.685 116.269 115.700 -0.194 0.000 2.419 428 S HA -0.093 4.375 4.470 -0.003 0.000 0.233 428 S C 1.992 176.411 174.600 -0.301 0.000 1.016 428 S CA 0.704 58.748 58.200 -0.260 0.000 0.974 428 S CB -0.417 62.558 63.200 -0.374 0.000 0.786 428 S HN 0.581 nan 8.310 nan 0.000 0.492 429 C N 1.334 120.434 119.300 -0.334 0.000 2.613 429 C HA 0.438 4.896 4.460 -0.003 0.000 0.273 429 C C 1.869 176.762 174.990 -0.161 0.000 1.304 429 C CA -0.352 58.515 59.018 -0.252 0.000 1.702 429 C CB -1.548 26.073 27.740 -0.199 0.000 1.792 429 C HN 0.718 nan 8.230 nan 0.000 0.588 430 G N 0.558 109.274 108.800 -0.141 0.000 2.221 430 G HA2 0.045 4.003 3.960 -0.003 0.000 0.265 430 G HA3 0.045 4.003 3.960 -0.003 0.000 0.265 430 G C 0.956 175.797 174.900 -0.098 0.000 1.041 430 G CA 0.526 45.563 45.100 -0.106 0.000 0.807 430 G HN 1.491 nan 8.290 nan 0.000 0.502 431 G N -1.015 107.720 108.800 -0.108 0.000 2.184 431 G HA2 -0.349 3.609 3.960 -0.003 0.000 0.264 431 G HA3 -0.349 3.609 3.960 -0.003 0.000 0.264 431 G C 0.360 175.200 174.900 -0.099 0.000 0.975 431 G CA 0.803 45.840 45.100 -0.105 0.000 0.642 431 G HN 1.499 nan 8.290 nan 0.000 0.536 432 N N 0.974 119.614 118.700 -0.100 0.000 2.399 432 N HA 0.171 4.909 4.740 -0.003 0.000 0.259 432 N C 1.165 176.629 175.510 -0.076 0.000 1.160 432 N CA 0.544 53.529 53.050 -0.109 0.000 0.946 432 N CB 0.685 39.076 38.487 -0.160 0.000 1.156 432 N HN 0.596 nan 8.380 nan 0.000 0.489 433 E N 3.383 123.547 120.200 -0.059 0.000 2.106 433 E HA -0.140 4.208 4.350 -0.003 0.000 0.192 433 E C 1.474 178.085 176.600 0.019 0.000 0.984 433 E CA 0.918 57.323 56.400 0.008 0.000 0.806 433 E CB 0.117 29.804 29.700 -0.022 0.000 0.750 433 E HN 0.738 nan 8.360 nan 0.000 0.458 434 A N 1.396 124.159 122.820 -0.096 0.000 1.908 434 A HA -0.232 4.086 4.320 -0.003 0.000 0.218 434 A C 1.996 179.438 177.584 -0.237 0.000 1.181 434 A CA 1.707 53.654 52.037 -0.150 0.000 0.627 434 A CB -0.324 18.575 19.000 -0.168 0.000 0.818 434 A HN 0.135 nan 8.150 nan 0.000 0.445 435 K N -1.765 118.419 120.400 -0.359 0.000 2.062 435 K HA -0.053 4.265 4.320 -0.003 0.000 0.205 435 K C 1.798 178.398 176.600 -0.000 0.000 1.051 435 K CA 1.355 57.474 56.287 -0.281 0.000 0.941 435 K CB -0.321 32.001 32.500 -0.298 0.000 0.719 435 K HN 0.486 nan 8.250 nan 0.000 0.440 436 F N 2.432 122.358 119.950 -0.040 0.000 2.095 436 F HA -0.196 4.329 4.527 -0.004 0.000 0.298 436 F C 2.173 178.035 175.800 0.104 0.000 1.104 436 F CA 1.502 59.585 58.000 0.139 0.000 1.232 436 F CB 0.032 39.108 39.000 0.127 0.000 0.987 436 F HN -0.128 nan 8.300 nan 0.000 0.475 437 R N 0.049 120.626 120.500 0.129 0.000 2.081 437 R HA -0.146 4.192 4.340 -0.003 0.000 0.235 437 R C 2.404 178.725 176.300 0.034 0.000 1.131 437 R CA 1.541 57.685 56.100 0.072 0.000 0.960 437 R CB -0.768 29.436 30.300 -0.161 0.000 0.856 437 R HN 0.381 nan 8.270 nan 0.000 0.436 438 L N 0.294 121.484 121.223 -0.054 0.000 2.083 438 L HA -0.170 4.168 4.340 -0.003 0.000 0.209 438 L C 2.456 179.027 176.870 -0.499 0.000 1.083 438 L CA 1.326 56.111 54.840 -0.091 0.000 0.752 438 L CB -0.465 41.620 42.059 0.043 0.000 0.899 438 L HN 0.261 nan 8.230 nan 0.000 0.433 439 A N -0.946 121.388 122.820 -0.811 0.000 1.930 439 A HA -0.139 4.179 4.320 -0.003 0.000 0.217 439 A C 2.193 179.495 177.584 -0.471 0.000 1.175 439 A CA 1.504 52.896 52.037 -1.075 0.000 0.627 439 A CB -0.595 18.036 19.000 -0.614 0.000 0.815 439 A HN 0.261 nan 8.150 nan 0.000 0.443 440 V N -0.190 119.469 119.914 -0.425 0.000 2.453 440 V HA -0.194 3.924 4.120 -0.003 0.000 0.247 440 V C 2.453 178.408 176.094 -0.232 0.000 1.048 440 V CA 1.669 63.736 62.300 -0.388 0.000 1.049 440 V CB -0.626 30.864 31.823 -0.556 0.000 0.672 440 V HN 0.647 nan 8.190 nan 0.000 0.457 441 L N -0.756 120.419 121.223 -0.081 0.000 2.042 441 L HA -0.225 4.113 4.340 -0.003 0.000 0.210 441 L C 2.296 179.235 176.870 0.115 0.000 1.076 441 L CA 2.123 56.965 54.840 0.003 0.000 0.749 441 L CB -0.345 41.825 42.059 0.184 0.000 0.893 441 L HN 0.385 nan 8.230 nan 0.000 0.432 442 F N 0.292 120.268 119.950 0.044 0.000 2.084 442 F HA -0.291 4.234 4.527 -0.003 0.000 0.296 442 F C 2.695 178.665 175.800 0.284 0.000 1.111 442 F CA 2.027 60.188 58.000 0.268 0.000 1.224 442 F CB -0.307 38.869 39.000 0.294 0.000 0.991 442 F HN 0.190 nan 8.300 nan 0.000 0.471 443 Q N -0.134 119.725 119.800 0.098 0.000 2.112 443 Q HA -0.243 4.095 4.340 -0.003 0.000 0.206 443 Q C 1.858 177.799 176.000 -0.100 0.000 0.987 443 Q CA 1.921 57.762 55.803 0.063 0.000 0.858 443 Q CB -0.130 28.650 28.738 0.069 0.000 0.905 443 Q HN 0.383 nan 8.270 nan 0.000 0.420 444 M N 0.007 119.543 119.600 -0.106 0.000 2.595 444 M HA -0.002 4.476 4.480 -0.003 0.000 0.248 444 M C 1.411 177.680 176.300 -0.052 0.000 1.119 444 M CA 1.208 56.441 55.300 -0.112 0.000 1.079 444 M CB -0.080 32.411 32.600 -0.181 0.000 1.472 444 M HN 0.340 nan 8.290 nan 0.000 0.501 445 T N -4.555 110.011 114.554 0.019 0.000 3.043 445 T HA 0.127 4.475 4.350 -0.003 0.000 0.272 445 T C 0.174 175.030 174.700 0.260 0.000 0.990 445 T CA -0.366 61.820 62.100 0.143 0.000 0.897 445 T CB 0.014 69.026 68.868 0.241 0.000 1.111 445 T HN 0.095 nan 8.240 nan 0.000 0.529 446 Y N 1.695 121.894 120.300 -0.168 0.000 2.408 446 Y HA 0.627 5.175 4.550 -0.003 0.000 0.324 446 Y C 0.003 175.777 175.900 -0.210 0.000 1.302 446 Y CA -2.555 55.339 58.100 -0.343 0.000 1.384 446 Y CB 0.718 38.657 38.460 -0.868 0.000 1.367 446 Y HN 0.135 nan 8.280 nan 0.000 0.525 447 L N 3.166 123.713 121.223 -1.126 0.000 2.410 447 L HA 0.493 4.831 4.340 -0.003 0.000 0.273 447 L C 0.181 176.732 176.870 -0.532 0.000 1.144 447 L CA 1.382 55.771 54.840 -0.750 0.000 0.863 447 L CB -0.427 41.146 42.059 -0.810 0.000 1.140 447 L HN 0.845 nan 8.230 nan 0.000 0.463 448 G N 2.748 111.356 108.800 -0.320 0.000 2.334 448 G HA2 0.015 3.973 3.960 -0.003 0.000 0.315 448 G HA3 0.015 3.973 3.960 -0.003 0.000 0.315 448 G C -0.927 173.844 174.900 -0.215 0.000 1.284 448 G CA -0.469 44.490 45.100 -0.235 0.000 0.985 448 G HN 0.619 nan 8.290 nan 0.000 0.504 449 T N 2.977 117.419 114.554 -0.188 0.000 2.756 449 T HA 0.626 4.974 4.350 -0.003 0.000 0.290 449 T C -2.636 171.887 174.700 -0.295 0.000 0.985 449 T CA -0.762 61.196 62.100 -0.236 0.000 0.955 449 T CB 1.871 70.582 68.868 -0.260 0.000 0.930 449 T HN 0.377 nan 8.240 nan 0.000 0.451 450 P HA 0.202 nan 4.420 nan 0.000 0.271 450 P C -0.779 176.389 177.300 -0.221 0.000 1.220 450 P CA -0.416 62.552 63.100 -0.219 0.000 0.768 450 P CB 0.551 32.169 31.700 -0.138 0.000 0.848 451 L N 5.357 126.482 121.223 -0.164 0.000 2.325 451 L HA 0.495 4.833 4.340 -0.003 0.000 0.281 451 L C -0.724 176.159 176.870 0.022 0.000 1.004 451 L CA -0.773 53.990 54.840 -0.129 0.000 0.823 451 L CB 0.840 42.855 42.059 -0.072 0.000 1.236 451 L HN 0.304 nan 8.230 nan 0.000 0.415 452 I N 4.834 125.428 120.570 0.041 0.000 2.321 452 I HA 0.152 4.320 4.170 -0.003 0.000 0.291 452 I C -0.826 175.249 176.117 -0.069 0.000 0.998 452 I CA -0.687 60.657 61.300 0.073 0.000 1.227 452 I CB 1.386 39.476 38.000 0.151 0.000 1.368 452 I HN 0.462 nan 8.210 nan 0.000 0.466 453 Y N 8.651 128.888 120.300 -0.104 0.000 2.393 453 Y HA 0.136 4.684 4.550 -0.003 0.000 0.338 453 Y C 0.073 175.770 175.900 -0.338 0.000 1.029 453 Y CA -1.243 56.771 58.100 -0.143 0.000 1.239 453 Y CB 0.120 38.567 38.460 -0.022 0.000 1.170 453 Y HN 0.467 nan 8.280 nan 0.000 0.515 454 Y N 5.109 124.873 120.300 -0.893 0.000 2.954 454 Y HA 0.231 4.779 4.550 -0.003 0.000 0.351 454 Y C 1.038 176.703 175.900 -0.391 0.000 1.282 454 Y CA 0.363 58.040 58.100 -0.705 0.000 1.614 454 Y CB -0.211 38.043 38.460 -0.343 0.000 1.183 454 Y HN 0.954 nan 8.280 nan 0.000 0.566 455 G N 3.075 111.742 108.800 -0.221 0.000 2.254 455 G HA2 -0.344 3.614 3.960 -0.003 0.000 0.225 455 G HA3 -0.344 3.614 3.960 -0.003 0.000 0.225 455 G C 0.755 175.541 174.900 -0.189 0.000 1.003 455 G CA 0.274 45.209 45.100 -0.276 0.000 0.622 455 G HN 0.603 nan 8.290 nan 0.000 0.507 456 D N 1.333 121.649 120.400 -0.140 0.000 2.178 456 D HA -0.039 4.599 4.640 -0.003 0.000 0.201 456 D C 2.473 178.802 176.300 0.048 0.000 0.980 456 D CA 1.435 55.475 54.000 0.066 0.000 0.842 456 D CB -0.109 40.883 40.800 0.320 0.000 0.948 456 D HN 0.722 nan 8.370 nan 0.000 0.472 457 E N 1.076 121.156 120.200 -0.200 0.000 2.338 457 E HA -0.149 4.199 4.350 -0.003 0.000 0.197 457 E C 1.463 178.098 176.600 0.058 0.000 1.007 457 E CA 0.623 56.731 56.400 -0.486 0.000 0.849 457 E CB -0.354 29.023 29.700 -0.538 0.000 0.774 457 E HN 0.432 nan 8.360 nan 0.000 0.506 458 I N -3.327 117.270 120.570 0.046 0.000 3.927 458 I HA 0.584 4.752 4.170 -0.003 0.000 0.332 458 I C 1.130 177.226 176.117 -0.035 0.000 1.485 458 I CA -0.133 61.185 61.300 0.031 0.000 1.131 458 I CB 0.754 38.711 38.000 -0.071 0.000 1.092 458 I HN 0.029 nan 8.210 nan 0.000 0.410 459 G N 0.898 109.660 108.800 -0.064 0.000 2.136 459 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.242 459 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.242 459 G C 0.232 175.020 174.900 -0.187 0.000 0.989 459 G CA 0.157 45.161 45.100 -0.160 0.000 0.682 459 G HN 0.407 nan 8.290 nan 0.000 0.522 460 M N 0.581 120.075 119.600 -0.177 0.000 2.245 460 M HA 0.477 4.955 4.480 -0.003 0.000 0.344 460 M C 0.786 176.989 176.300 -0.163 0.000 1.170 460 M CA 1.051 56.243 55.300 -0.179 0.000 1.135 460 M CB 0.934 33.401 32.600 -0.223 0.000 1.574 460 M HN 0.575 nan 8.290 nan 0.000 0.452 461 A N 1.741 124.479 122.820 -0.137 0.000 2.389 461 A HA 1.041 5.359 4.320 -0.003 0.000 0.293 461 A C -0.288 177.247 177.584 -0.081 0.000 1.186 461 A CA -0.235 51.737 52.037 -0.108 0.000 0.828 461 A CB 1.805 20.738 19.000 -0.112 0.000 1.369 461 A HN 0.939 nan 8.150 nan 0.000 0.446 462 G N -1.936 106.828 108.800 -0.059 0.000 2.368 462 G HA2 0.625 4.583 3.960 -0.003 0.000 0.301 462 G HA3 0.625 4.583 3.960 -0.003 0.000 0.301 462 G C -0.412 174.466 174.900 -0.037 0.000 1.640 462 G CA 0.166 45.237 45.100 -0.048 0.000 0.941 462 G HN 1.819 nan 8.290 nan 0.000 0.695 463 A N 0.614 123.413 122.820 -0.036 0.000 2.292 463 A HA 0.846 5.164 4.320 -0.003 0.000 0.265 463 A C 1.222 178.786 177.584 -0.034 0.000 1.133 463 A CA 0.848 52.864 52.037 -0.034 0.000 0.807 463 A CB 0.330 19.312 19.000 -0.029 0.000 1.102 463 A HN 1.824 nan 8.150 nan 0.000 0.502 464 T N -0.657 113.875 114.554 -0.038 0.000 2.748 464 T HA 0.193 4.541 4.350 -0.003 0.000 0.304 464 T C 0.297 174.972 174.700 -0.043 0.000 1.041 464 T CA 0.284 62.354 62.100 -0.049 0.000 1.033 464 T CB -0.062 68.774 68.868 -0.054 0.000 0.995 464 T HN 0.767 nan 8.240 nan 0.000 0.536 465 D N 1.858 122.221 120.400 -0.062 0.000 2.836 465 D HA -0.055 4.583 4.640 -0.003 0.000 0.220 465 D C -1.259 175.029 176.300 -0.019 0.000 1.094 465 D CA -0.889 53.078 54.000 -0.056 0.000 0.820 465 D CB 0.785 41.538 40.800 -0.079 0.000 1.171 465 D HN 0.335 nan 8.370 nan 0.000 0.507 466 P HA 0.065 nan 4.420 nan 0.000 0.262 466 P C 0.371 177.668 177.300 -0.005 0.000 1.304 466 P CA -0.005 63.088 63.100 -0.011 0.000 0.859 466 P CB 0.458 32.165 31.700 0.011 0.000 1.310 467 D N 0.307 120.701 120.400 -0.010 0.000 2.348 467 D HA -0.101 4.537 4.640 -0.003 0.000 0.216 467 D C 1.525 177.809 176.300 -0.027 0.000 0.970 467 D CA 0.684 54.673 54.000 -0.018 0.000 0.889 467 D CB -0.394 40.395 40.800 -0.019 0.000 0.912 467 D HN 0.216 nan 8.370 nan 0.000 0.524 468 C N -0.975 118.315 119.300 -0.016 0.000 2.618 468 C HA 0.353 4.811 4.460 -0.003 0.000 0.264 468 C C 1.331 176.369 174.990 0.079 0.000 1.334 468 C CA -0.663 58.373 59.018 0.030 0.000 1.731 468 C CB -1.094 26.657 27.740 0.019 0.000 1.852 468 C HN 0.021 nan 8.230 nan 0.000 0.566 469 R N 1.247 121.754 120.500 0.013 0.000 3.039 469 R HA 0.276 4.614 4.340 -0.003 0.000 0.336 469 R C -0.009 176.286 176.300 -0.007 0.000 1.258 469 R CA -0.181 55.939 56.100 0.033 0.000 1.125 469 R CB 0.004 30.224 30.300 -0.133 0.000 1.427 469 R HN 0.578 nan 8.270 nan 0.000 0.588 470 R N 1.201 121.648 120.500 -0.089 0.000 2.615 470 R HA 0.195 4.532 4.340 -0.003 0.000 0.270 470 R C -2.361 173.706 176.300 -0.387 0.000 1.081 470 R CA -1.964 53.959 56.100 -0.295 0.000 1.154 470 R CB -0.023 30.132 30.300 -0.243 0.000 1.063 470 R HN -0.100 nan 8.270 nan 0.000 0.519 471 P HA -0.091 nan 4.420 nan 0.000 0.262 471 P C -0.203 176.798 177.300 -0.498 0.000 1.182 471 P CA 0.073 62.489 63.100 -1.142 0.000 0.761 471 P CB 0.378 30.985 31.700 -1.822 0.000 0.795 472 M N 4.793 124.329 119.600 -0.107 0.000 2.245 472 M HA 0.033 4.510 4.480 -0.003 0.000 0.335 472 M C -0.571 175.535 176.300 -0.323 0.000 1.155 472 M CA 0.747 55.949 55.300 -0.164 0.000 1.055 472 M CB -0.436 31.957 32.600 -0.345 0.000 1.670 472 M HN 0.210 nan 8.290 nan 0.000 0.447 473 I N 6.174 126.465 120.570 -0.464 0.000 2.308 473 I HA 0.025 4.192 4.170 -0.003 0.000 0.293 473 I C -0.327 175.493 176.117 -0.495 0.000 1.078 473 I CA 0.278 61.384 61.300 -0.323 0.000 1.292 473 I CB 0.274 38.136 38.000 -0.231 0.000 1.423 473 I HN 0.898 nan 8.210 nan 0.000 0.493 474 W N 3.365 124.639 121.300 -0.043 0.000 3.211 474 W HA 0.142 4.800 4.660 -0.003 0.000 0.292 474 W C 0.751 177.190 176.519 -0.133 0.000 1.268 474 W CA -0.424 56.819 57.345 -0.170 0.000 1.702 474 W CB 0.603 29.928 29.460 -0.224 0.000 1.092 474 W HN 0.344 nan 8.180 nan 0.000 0.643 475 E N 1.569 121.829 120.200 0.100 0.000 2.180 475 E HA 0.001 4.349 4.350 -0.003 0.000 0.283 475 E C 0.774 177.385 176.600 0.019 0.000 1.061 475 E CA 0.222 56.656 56.400 0.057 0.000 0.861 475 E CB 1.010 30.737 29.700 0.045 0.000 1.056 475 E HN 0.399 nan 8.360 nan 0.000 0.407 476 E N 2.621 122.835 120.200 0.023 0.000 2.130 476 E HA -0.262 4.086 4.350 -0.003 0.000 0.196 476 E C 1.712 178.315 176.600 0.006 0.000 0.998 476 E CA 1.216 57.622 56.400 0.009 0.000 0.806 476 E CB 0.132 29.846 29.700 0.023 0.000 0.738 476 E HN 0.347 nan 8.360 nan 0.000 0.459 477 K N 0.801 121.207 120.400 0.011 0.000 2.147 477 K HA -0.167 4.151 4.320 -0.003 0.000 0.205 477 K C 1.472 178.071 176.600 -0.001 0.000 1.049 477 K CA 1.134 57.427 56.287 0.009 0.000 0.936 477 K CB 0.236 32.743 32.500 0.012 0.000 0.722 477 K HN -0.021 nan 8.250 nan 0.000 0.446 478 E N 0.701 120.896 120.200 -0.009 0.000 2.479 478 E HA 0.006 4.354 4.350 -0.003 0.000 0.193 478 E C -0.054 176.519 176.600 -0.046 0.000 1.049 478 E CA 0.336 56.722 56.400 -0.025 0.000 0.870 478 E CB 0.408 30.093 29.700 -0.024 0.000 0.944 478 E HN 0.465 nan 8.360 nan 0.000 0.492 479 Q N 0.992 120.765 119.800 -0.045 0.000 2.230 479 Q HA 0.202 4.540 4.340 -0.003 0.000 0.248 479 Q C 0.160 176.150 176.000 -0.016 0.000 0.915 479 Q CA -0.460 55.307 55.803 -0.060 0.000 0.900 479 Q CB 0.895 29.576 28.738 -0.095 0.000 1.229 479 Q HN -0.127 nan 8.270 nan 0.000 0.439 480 N N 2.248 120.948 118.700 -0.001 0.000 2.807 480 N HA 0.008 4.746 4.740 -0.003 0.000 0.259 480 N C 0.296 175.880 175.510 0.124 0.000 1.149 480 N CA 0.041 53.119 53.050 0.046 0.000 1.042 480 N CB 0.314 38.822 38.487 0.035 0.000 1.367 480 N HN 0.452 nan 8.380 nan 0.000 0.516 481 R N 1.320 121.894 120.500 0.123 0.000 2.152 481 R HA -0.046 4.292 4.340 -0.003 0.000 0.232 481 R C 1.750 178.208 176.300 0.263 0.000 1.117 481 R CA 0.898 57.127 56.100 0.215 0.000 0.981 481 R CB -0.825 29.572 30.300 0.162 0.000 0.870 481 R HN 0.492 nan 8.270 nan 0.000 0.451 482 G N 1.385 110.296 108.800 0.185 0.000 2.421 482 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.216 482 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.216 482 G C 1.440 176.489 174.900 0.249 0.000 1.171 482 G CA 0.375 45.580 45.100 0.174 0.000 0.775 482 G HN 0.246 nan 8.290 nan 0.000 0.543 483 L N -0.329 121.060 121.223 0.276 0.000 2.056 483 L HA 0.185 4.523 4.340 -0.003 0.000 0.207 483 L C 2.460 179.665 176.870 0.558 0.000 1.078 483 L CA 1.466 56.557 54.840 0.418 0.000 0.749 483 L CB -0.640 41.641 42.059 0.369 0.000 0.901 483 L HN 0.277 nan 8.230 nan 0.000 0.433 484 F N 0.152 120.260 119.950 0.263 0.000 2.095 484 F HA -0.249 4.276 4.527 -0.004 0.000 0.298 484 F C 2.363 178.296 175.800 0.222 0.000 1.104 484 F CA 1.673 59.795 58.000 0.204 0.000 1.232 484 F CB 0.052 39.134 39.000 0.137 0.000 0.987 484 F HN 0.133 nan 8.300 nan 0.000 0.475 485 E N 0.010 120.351 120.200 0.235 0.000 2.150 485 E HA -0.238 4.110 4.350 -0.003 0.000 0.193 485 E C 2.007 178.692 176.600 0.141 0.000 0.985 485 E CA 1.140 57.597 56.400 0.094 0.000 0.814 485 E CB -0.765 29.027 29.700 0.154 0.000 0.752 485 E HN 0.582 nan 8.360 nan 0.000 0.466 486 F N -0.006 120.005 119.950 0.101 0.000 2.113 486 F HA -0.259 4.266 4.527 -0.003 0.000 0.297 486 F C 2.124 177.952 175.800 0.047 0.000 1.103 486 F CA 1.119 59.166 58.000 0.078 0.000 1.248 486 F CB -0.120 38.952 39.000 0.120 0.000 0.999 486 F HN -0.044 nan 8.300 nan 0.000 0.475 487 Y N 1.107 121.383 120.300 -0.040 0.000 2.114 487 Y HA -0.245 4.303 4.550 -0.004 0.000 0.284 487 Y C 2.415 178.155 175.900 -0.267 0.000 1.143 487 Y CA 2.080 60.077 58.100 -0.172 0.000 1.135 487 Y CB -0.564 37.877 38.460 -0.032 0.000 0.980 487 Y HN -0.055 nan 8.280 nan 0.000 0.499 488 K N -0.093 120.216 120.400 -0.153 0.000 2.074 488 K HA -0.285 4.033 4.320 -0.003 0.000 0.209 488 K C 2.077 178.554 176.600 -0.206 0.000 1.048 488 K CA 1.940 58.070 56.287 -0.263 0.000 0.926 488 K CB -0.248 32.028 32.500 -0.374 0.000 0.713 488 K HN 0.391 nan 8.250 nan 0.000 0.444 489 E N 1.076 121.173 120.200 -0.170 0.000 2.051 489 E HA -0.187 4.161 4.350 -0.003 0.000 0.192 489 E C 2.022 178.501 176.600 -0.201 0.000 0.991 489 E CA 0.979 57.288 56.400 -0.152 0.000 0.799 489 E CB -0.008 29.640 29.700 -0.088 0.000 0.748 489 E HN 0.208 nan 8.360 nan 0.000 0.449 490 L N 0.608 121.646 121.223 -0.308 0.000 2.046 490 L HA -0.194 4.144 4.340 -0.003 0.000 0.208 490 L C 2.538 179.293 176.870 -0.190 0.000 1.077 490 L CA 0.957 55.614 54.840 -0.306 0.000 0.747 490 L CB -0.307 41.456 42.059 -0.493 0.000 0.896 490 L HN 0.278 nan 8.230 nan 0.000 0.432 491 I N -0.828 119.635 120.570 -0.179 0.000 2.394 491 I HA -0.275 3.893 4.170 -0.003 0.000 0.251 491 I C 2.794 178.792 176.117 -0.198 0.000 1.136 491 I CA 0.991 62.212 61.300 -0.131 0.000 1.425 491 I CB -0.263 37.643 38.000 -0.156 0.000 1.079 491 I HN 0.213 nan 8.210 nan 0.000 0.425 492 R N 0.983 121.345 120.500 -0.229 0.000 2.066 492 R HA -0.126 4.212 4.340 -0.003 0.000 0.232 492 R C 2.362 178.595 176.300 -0.112 0.000 1.131 492 R CA 1.386 57.355 56.100 -0.218 0.000 0.955 492 R CB -0.157 30.037 30.300 -0.176 0.000 0.851 492 R HN 0.292 nan 8.270 nan 0.000 0.432 493 L N -0.074 121.086 121.223 -0.105 0.000 2.083 493 L HA -0.170 4.168 4.340 -0.003 0.000 0.209 493 L C 2.771 179.608 176.870 -0.055 0.000 1.083 493 L CA 1.298 56.083 54.840 -0.093 0.000 0.752 493 L CB -0.446 41.555 42.059 -0.097 0.000 0.899 493 L HN 0.247 nan 8.230 nan 0.000 0.433 494 R N -0.617 119.879 120.500 -0.008 0.000 2.096 494 R HA -0.195 4.143 4.340 -0.003 0.000 0.235 494 R C 2.281 178.610 176.300 0.048 0.000 1.127 494 R CA 1.544 57.657 56.100 0.022 0.000 0.968 494 R CB -0.133 30.195 30.300 0.048 0.000 0.861 494 R HN 0.381 nan 8.270 nan 0.000 0.440 495 H N -0.234 118.778 119.070 -0.097 0.000 2.462 495 H HA -0.020 4.534 4.556 -0.004 0.000 0.292 495 H C 1.714 176.984 175.328 -0.097 0.000 1.049 495 H CA 1.629 57.626 56.048 -0.086 0.000 1.334 495 H CB 0.173 29.889 29.762 -0.077 0.000 1.404 495 H HN 0.302 nan 8.280 nan 0.000 0.544 496 R N 0.030 120.526 120.500 -0.007 0.000 2.308 496 R HA 0.181 4.519 4.340 -0.003 0.000 0.202 496 R C -0.104 176.099 176.300 -0.161 0.000 0.898 496 R CA 0.108 56.153 56.100 -0.092 0.000 1.046 496 R CB 0.351 30.574 30.300 -0.128 0.000 1.026 496 R HN 0.152 nan 8.270 nan 0.000 0.512 497 L N 2.287 123.418 121.223 -0.153 0.000 2.287 497 L HA 0.358 4.696 4.340 -0.003 0.000 0.280 497 L C 1.290 178.107 176.870 -0.088 0.000 1.055 497 L CA -0.548 54.191 54.840 -0.169 0.000 0.863 497 L CB 1.553 43.511 42.059 -0.169 0.000 1.245 497 L HN 0.117 nan 8.230 nan 0.000 0.432 498 A N 1.886 124.663 122.820 -0.071 0.000 1.997 498 A HA -0.239 4.079 4.320 -0.003 0.000 0.221 498 A C 2.347 179.911 177.584 -0.033 0.000 1.172 498 A CA 2.312 54.319 52.037 -0.050 0.000 0.645 498 A CB -0.388 18.592 19.000 -0.033 0.000 0.813 498 A HN 0.780 nan 8.150 nan 0.000 0.454 499 S N -0.324 115.374 115.700 -0.003 0.000 2.447 499 S HA 0.009 4.477 4.470 -0.003 0.000 0.233 499 S C 1.653 176.257 174.600 0.006 0.000 1.006 499 S CA 1.204 59.414 58.200 0.018 0.000 0.957 499 S CB -0.553 62.689 63.200 0.070 0.000 0.773 499 S HN 0.491 nan 8.310 nan 0.000 0.507 500 L N 1.680 122.897 121.223 -0.010 0.000 2.313 500 L HA 0.018 4.356 4.340 -0.003 0.000 0.214 500 L C 2.751 179.585 176.870 -0.060 0.000 1.119 500 L CA 1.439 56.270 54.840 -0.014 0.000 0.809 500 L CB -0.734 41.315 42.059 -0.017 0.000 0.933 500 L HN 0.639 nan 8.230 nan 0.000 0.449 501 T N -4.482 110.024 114.554 -0.080 0.000 2.999 501 T HA 0.083 4.431 4.350 -0.003 0.000 0.247 501 T C 1.677 176.310 174.700 -0.112 0.000 1.012 501 T CA -0.205 61.826 62.100 -0.114 0.000 1.048 501 T CB 0.214 68.999 68.868 -0.137 0.000 1.020 501 T HN 0.159 nan 8.240 nan 0.000 0.478 502 R N 0.799 121.248 120.500 -0.086 0.000 2.535 502 R HA 0.446 4.784 4.340 -0.003 0.000 0.323 502 R C 0.934 177.198 176.300 -0.060 0.000 0.979 502 R CA -0.266 55.786 56.100 -0.081 0.000 1.120 502 R CB 1.121 31.379 30.300 -0.070 0.000 1.306 502 R HN 0.413 nan 8.270 nan 0.000 0.540 503 G N 0.662 109.435 108.800 -0.046 0.000 2.477 503 G HA2 0.133 4.091 3.960 -0.003 0.000 0.304 503 G HA3 0.133 4.091 3.960 -0.003 0.000 0.304 503 G C -0.322 174.557 174.900 -0.035 0.000 1.175 503 G CA -0.731 44.358 45.100 -0.019 0.000 0.907 503 G HN 0.328 nan 8.290 nan 0.000 0.509 504 N N -2.011 116.682 118.700 -0.013 0.000 2.364 504 N HA 0.450 5.188 4.740 -0.003 0.000 0.264 504 N C -0.989 174.519 175.510 -0.004 0.000 1.263 504 N CA -0.750 52.285 53.050 -0.026 0.000 0.959 504 N CB 1.386 39.867 38.487 -0.009 0.000 1.204 504 N HN 0.225 nan 8.380 nan 0.000 0.550 505 V N 0.160 120.067 119.914 -0.012 0.000 2.588 505 V HA 0.486 4.604 4.120 -0.003 0.000 0.304 505 V C -0.510 175.634 176.094 0.085 0.000 1.042 505 V CA -0.766 61.567 62.300 0.055 0.000 0.877 505 V CB 1.441 33.244 31.823 -0.033 0.000 0.996 505 V HN 0.694 nan 8.190 nan 0.000 0.425 506 R N 2.229 122.819 120.500 0.150 0.000 2.515 506 R HA 0.448 4.786 4.340 -0.003 0.000 0.291 506 R C -0.603 175.821 176.300 0.207 0.000 1.046 506 R CA -0.563 55.611 56.100 0.124 0.000 0.914 506 R CB 2.084 32.411 30.300 0.045 0.000 1.191 506 R HN 0.694 nan 8.270 nan 0.000 0.435 507 S N 1.896 117.730 115.700 0.223 0.000 2.552 507 S HA -0.019 4.449 4.470 -0.003 0.000 0.289 507 S C 0.421 175.174 174.600 0.256 0.000 1.304 507 S CA -0.094 58.269 58.200 0.273 0.000 1.063 507 S CB 0.444 63.814 63.200 0.283 0.000 0.848 507 S HN 0.643 nan 8.310 nan 0.000 0.499 508 W N 3.228 124.517 121.300 -0.017 0.000 2.777 508 W HA 0.260 4.918 4.660 -0.003 0.000 0.260 508 W C 0.507 177.046 176.519 0.033 0.000 1.194 508 W CA 0.615 57.944 57.345 -0.026 0.000 1.447 508 W CB 0.095 29.503 29.460 -0.087 0.000 1.009 508 W HN 0.731 nan 8.180 nan 0.000 0.613 509 H N -0.477 118.571 119.070 -0.037 0.000 3.085 509 H HA 0.518 5.072 4.556 -0.004 0.000 0.356 509 H C -1.662 173.660 175.328 -0.010 0.000 1.178 509 H CA 0.131 56.106 56.048 -0.123 0.000 1.214 509 H CB 1.755 31.307 29.762 -0.351 0.000 1.881 509 H HN -0.117 nan 8.280 nan 0.000 0.538 510 A N 3.811 126.484 122.820 -0.245 0.000 2.456 510 A HA 0.369 4.687 4.320 -0.003 0.000 0.288 510 A C -1.728 175.763 177.584 -0.156 0.000 1.042 510 A CA -0.651 51.407 52.037 0.035 0.000 0.738 510 A CB 1.435 20.527 19.000 0.155 0.000 1.266 510 A HN 0.573 nan 8.150 nan 0.000 0.407 511 D N 2.508 122.903 120.400 -0.008 0.000 2.575 511 D HA 0.206 4.844 4.640 -0.003 0.000 0.250 511 D C 0.854 177.134 176.300 -0.033 0.000 1.279 511 D CA -0.418 53.558 54.000 -0.040 0.000 0.925 511 D CB 1.471 42.317 40.800 0.076 0.000 1.261 511 D HN 0.572 nan 8.370 nan 0.000 0.567 512 K N 2.529 122.827 120.400 -0.171 0.000 2.283 512 K HA -0.177 4.141 4.320 -0.003 0.000 0.202 512 K C 1.306 177.817 176.600 -0.150 0.000 1.048 512 K CA 0.907 56.998 56.287 -0.327 0.000 0.948 512 K CB 0.313 32.340 32.500 -0.787 0.000 0.742 512 K HN 0.196 nan 8.250 nan 0.000 0.458 513 Q N 1.318 121.064 119.800 -0.090 0.000 2.089 513 Q HA 0.091 4.429 4.340 -0.003 0.000 0.195 513 Q C 1.981 177.968 176.000 -0.021 0.000 0.963 513 Q CA 1.756 57.529 55.803 -0.049 0.000 0.834 513 Q CB -0.181 28.532 28.738 -0.042 0.000 0.906 513 Q HN 0.410 nan 8.270 nan 0.000 0.452 514 A N -0.149 122.669 122.820 -0.002 0.000 2.123 514 A HA 0.087 4.405 4.320 -0.003 0.000 0.214 514 A C 0.651 178.247 177.584 0.021 0.000 1.152 514 A CA 0.724 52.762 52.037 0.003 0.000 0.728 514 A CB -0.350 18.659 19.000 0.015 0.000 0.814 514 A HN 0.609 nan 8.150 nan 0.000 0.464 515 N N -1.798 116.938 118.700 0.061 0.000 2.740 515 N HA -0.151 4.587 4.740 -0.003 0.000 0.248 515 N C -0.527 175.102 175.510 0.199 0.000 1.062 515 N CA 0.803 53.934 53.050 0.134 0.000 0.704 515 N CB -1.671 36.849 38.487 0.054 0.000 0.968 515 N HN 0.576 nan 8.380 nan 0.000 0.547 516 L N 1.002 122.348 121.223 0.205 0.000 2.322 516 L HA 0.616 4.954 4.340 -0.003 0.000 0.281 516 L C -0.771 176.311 176.870 0.354 0.000 1.014 516 L CA -0.963 54.017 54.840 0.233 0.000 0.815 516 L CB 0.917 43.041 42.059 0.107 0.000 1.247 516 L HN 0.223 nan 8.230 nan 0.000 0.421 517 Y N 4.656 125.109 120.300 0.255 0.000 2.462 517 Y HA 0.786 5.334 4.550 -0.003 0.000 0.346 517 Y C -0.921 175.160 175.900 0.302 0.000 0.976 517 Y CA -0.580 57.674 58.100 0.256 0.000 1.044 517 Y CB 1.906 40.492 38.460 0.210 0.000 1.230 517 Y HN 0.702 nan 8.280 nan 0.000 0.455 518 A N 5.691 128.199 122.820 -0.521 0.000 2.486 518 A HA 0.786 5.103 4.320 -0.003 0.000 0.300 518 A C -1.946 175.501 177.584 -0.228 0.000 1.048 518 A CA -0.542 51.332 52.037 -0.272 0.000 0.696 518 A CB 0.861 19.722 19.000 -0.231 0.000 1.278 518 A HN 0.848 nan 8.150 nan 0.000 0.405 519 F N -0.265 119.677 119.950 -0.014 0.000 2.629 519 F HA 0.862 5.387 4.527 -0.003 0.000 0.316 519 F C -1.146 174.737 175.800 0.139 0.000 1.081 519 F CA -1.417 56.639 58.000 0.093 0.000 0.954 519 F CB 1.320 40.432 39.000 0.187 0.000 1.337 519 F HN 0.340 nan 8.300 nan 0.000 0.474 520 V N 2.370 122.372 119.914 0.146 0.000 2.540 520 V HA 0.595 4.713 4.120 -0.003 0.000 0.302 520 V C -0.590 175.559 176.094 0.091 0.000 1.035 520 V CA -0.806 61.430 62.300 -0.106 0.000 0.873 520 V CB 1.734 33.310 31.823 -0.412 0.000 0.992 520 V HN 0.681 nan 8.190 nan 0.000 0.428 521 R N 2.387 122.937 120.500 0.084 0.000 2.294 521 R HA 0.722 5.060 4.340 -0.003 0.000 0.319 521 R C -0.558 175.811 176.300 0.116 0.000 0.984 521 R CA -0.378 55.799 56.100 0.128 0.000 0.861 521 R CB 1.695 32.078 30.300 0.139 0.000 1.104 521 R HN 0.734 nan 8.270 nan 0.000 0.451 522 T N 1.111 115.733 114.554 0.113 0.000 2.886 522 T HA 0.420 4.767 4.350 -0.003 0.000 0.292 522 T C -1.128 173.618 174.700 0.077 0.000 1.012 522 T CA -0.612 61.587 62.100 0.166 0.000 0.982 522 T CB 2.156 71.171 68.868 0.244 0.000 1.018 522 T HN 0.262 nan 8.240 nan 0.000 0.451 523 V N 4.971 124.913 119.914 0.046 0.000 2.610 523 V HA 0.422 4.540 4.120 -0.003 0.000 0.298 523 V C -0.396 175.686 176.094 -0.020 0.000 1.067 523 V CA -0.237 62.067 62.300 0.008 0.000 0.894 523 V CB 1.168 32.991 31.823 -0.000 0.000 1.015 523 V HN 0.926 nan 8.190 nan 0.000 0.432 524 Q N 3.809 123.594 119.800 -0.025 0.000 1.675 524 Q HA -0.247 4.091 4.340 -0.003 0.000 0.365 524 Q C 0.629 176.567 176.000 -0.104 0.000 0.856 524 Q CA 2.215 57.991 55.803 -0.044 0.000 0.832 524 Q CB -1.010 27.707 28.738 -0.035 0.000 3.604 524 Q HN 0.907 nan 8.270 nan 0.000 0.678 525 D N 1.202 121.528 120.400 -0.123 0.000 2.347 525 D HA -0.001 4.637 4.640 -0.003 0.000 0.213 525 D C 0.712 176.814 176.300 -0.329 0.000 0.985 525 D CA 0.469 54.340 54.000 -0.216 0.000 0.879 525 D CB 0.081 40.798 40.800 -0.138 0.000 0.919 525 D HN 0.251 nan 8.370 nan 0.000 0.526 526 Q N 0.595 120.283 119.800 -0.187 0.000 2.286 526 Q HA 0.137 4.475 4.340 -0.003 0.000 0.257 526 Q C -0.947 174.999 176.000 -0.091 0.000 0.941 526 Q CA 0.076 55.832 55.803 -0.078 0.000 0.912 526 Q CB 0.503 29.300 28.738 0.098 0.000 1.192 526 Q HN 0.232 nan 8.270 nan 0.000 0.410 527 H N 1.489 120.617 119.070 0.096 0.000 2.667 527 H HA 0.494 5.048 4.556 -0.003 0.000 0.353 527 H C -1.338 174.066 175.328 0.127 0.000 1.072 527 H CA -1.043 55.041 56.048 0.060 0.000 1.214 527 H CB 2.003 31.776 29.762 0.017 0.000 1.600 527 H HN 0.332 nan 8.280 nan 0.000 0.527 528 V N 3.065 123.093 119.914 0.191 0.000 2.409 528 V HA 0.391 4.509 4.120 -0.003 0.000 0.290 528 V C 0.290 176.356 176.094 -0.047 0.000 1.017 528 V CA -0.729 61.655 62.300 0.140 0.000 0.841 528 V CB 1.579 33.484 31.823 0.137 0.000 1.003 528 V HN 0.954 nan 8.190 nan 0.000 0.426 529 G N 3.825 112.556 108.800 -0.114 0.000 2.319 529 G HA2 0.545 4.503 3.960 -0.003 0.000 0.308 529 G HA3 0.545 4.503 3.960 -0.003 0.000 0.308 529 G C -0.687 174.177 174.900 -0.059 0.000 1.117 529 G CA -0.320 44.657 45.100 -0.206 0.000 0.903 529 G HN 0.525 nan 8.290 nan 0.000 0.436 530 V N 3.297 123.029 119.914 -0.303 0.000 2.370 530 V HA 0.311 4.429 4.120 -0.003 0.000 0.279 530 V C -0.053 175.954 176.094 -0.146 0.000 1.029 530 V CA -0.630 61.471 62.300 -0.331 0.000 0.870 530 V CB 1.406 32.742 31.823 -0.812 0.000 0.984 530 V HN 0.491 nan 8.190 nan 0.000 0.451 531 V N 6.942 126.853 119.914 -0.005 0.000 2.357 531 V HA 0.450 4.568 4.120 -0.003 0.000 0.284 531 V C -0.189 175.970 176.094 0.108 0.000 1.018 531 V CA -0.441 61.854 62.300 -0.008 0.000 0.841 531 V CB 1.496 33.251 31.823 -0.113 0.000 0.991 531 V HN 0.652 nan 8.190 nan 0.000 0.437 532 L N 4.382 125.733 121.223 0.213 0.000 2.277 532 L HA 0.493 4.831 4.340 -0.003 0.000 0.284 532 L C 0.189 177.212 176.870 0.254 0.000 1.028 532 L CA -0.423 54.613 54.840 0.327 0.000 0.835 532 L CB 1.098 43.508 42.059 0.586 0.000 1.215 532 L HN 0.556 nan 8.230 nan 0.000 0.425 533 N N 2.462 121.259 118.700 0.161 0.000 3.034 533 N HA -0.009 4.729 4.740 -0.003 0.000 0.265 533 N C 0.157 175.702 175.510 0.059 0.000 1.166 533 N CA -0.112 52.981 53.050 0.071 0.000 1.081 533 N CB 0.115 38.601 38.487 -0.002 0.000 1.378 533 N HN 0.403 nan 8.380 nan 0.000 0.520 534 N N 2.168 120.924 118.700 0.093 0.000 3.243 534 N HA 0.093 4.831 4.740 -0.003 0.000 0.310 534 N C -0.941 174.481 175.510 -0.148 0.000 1.313 534 N CA 0.012 53.070 53.050 0.014 0.000 1.204 534 N CB -0.243 38.060 38.487 -0.307 0.000 1.483 534 N HN 0.479 nan 8.380 nan 0.000 0.553 535 R N -0.796 119.478 120.500 -0.376 0.000 2.643 535 R HA 0.417 4.755 4.340 -0.003 0.000 0.269 535 R C -0.181 175.574 176.300 -0.908 0.000 1.037 535 R CA -0.820 54.996 56.100 -0.472 0.000 0.894 535 R CB 0.943 31.104 30.300 -0.233 0.000 1.238 535 R HN 0.241 nan 8.270 nan 0.000 0.459 536 G N 2.535 110.902 108.800 -0.722 0.000 3.455 536 G HA2 0.130 4.088 3.960 -0.003 0.000 0.250 536 G HA3 0.130 4.088 3.960 -0.003 0.000 0.250 536 G C -0.454 174.286 174.900 -0.266 0.000 1.071 536 G CA 0.281 45.053 45.100 -0.546 0.000 1.812 536 G HN 0.362 nan 8.290 nan 0.000 0.643 537 E N 0.157 120.193 120.200 -0.274 0.000 2.335 537 E HA 0.158 4.506 4.350 -0.003 0.000 0.280 537 E C -0.902 175.617 176.600 -0.135 0.000 0.918 537 E CA -0.734 55.574 56.400 -0.154 0.000 0.765 537 E CB 1.875 31.503 29.700 -0.121 0.000 1.218 537 E HN 0.271 nan 8.360 nan 0.000 0.425 538 K N 3.060 123.407 120.400 -0.089 0.000 2.383 538 K HA 0.133 4.451 4.320 -0.003 0.000 0.286 538 K C -0.449 176.111 176.600 -0.066 0.000 1.051 538 K CA 0.358 56.604 56.287 -0.069 0.000 0.974 538 K CB 0.524 32.997 32.500 -0.045 0.000 0.968 538 K HN 0.373 nan 8.250 nan 0.000 0.475 539 Q N 2.069 121.828 119.800 -0.069 0.000 2.433 539 Q HA 0.337 4.675 4.340 -0.003 0.000 0.279 539 Q C -1.024 174.935 176.000 -0.069 0.000 1.105 539 Q CA -1.096 54.666 55.803 -0.067 0.000 0.815 539 Q CB 2.503 31.198 28.738 -0.073 0.000 1.403 539 Q HN 0.512 nan 8.270 nan 0.000 0.435 540 T N 0.841 115.353 114.554 -0.071 0.000 2.823 540 T HA 0.554 4.902 4.350 -0.003 0.000 0.279 540 T C -1.300 173.332 174.700 -0.112 0.000 0.998 540 T CA -0.543 61.508 62.100 -0.081 0.000 0.994 540 T CB 1.569 70.401 68.868 -0.060 0.000 0.960 540 T HN 0.324 nan 8.240 nan 0.000 0.448 541 V N 4.006 123.822 119.914 -0.162 0.000 2.925 541 V HA 0.749 4.867 4.120 -0.003 0.000 0.311 541 V C -1.725 174.213 176.094 -0.260 0.000 1.104 541 V CA -0.998 61.154 62.300 -0.247 0.000 0.954 541 V CB 2.057 33.644 31.823 -0.393 0.000 1.022 541 V HN 0.719 nan 8.190 nan 0.000 0.427 542 L N 6.804 127.878 121.223 -0.249 0.000 2.294 542 L HA 0.628 4.966 4.340 -0.003 0.000 0.283 542 L C -0.833 175.884 176.870 -0.256 0.000 1.015 542 L CA 0.115 54.840 54.840 -0.190 0.000 0.831 542 L CB 1.029 43.034 42.059 -0.089 0.000 1.217 542 L HN 0.625 nan 8.230 nan 0.000 0.420 543 L N 4.175 125.204 121.223 -0.322 0.000 2.322 543 L HA 0.494 4.832 4.340 -0.003 0.000 0.279 543 L C -0.058 176.756 176.870 -0.093 0.000 1.036 543 L CA -0.944 53.665 54.840 -0.385 0.000 0.807 543 L CB 1.442 42.977 42.059 -0.875 0.000 1.226 543 L HN 0.473 nan 8.230 nan 0.000 0.433 544 Q N 2.875 122.705 119.800 0.050 0.000 2.296 544 Q HA 0.275 4.612 4.340 -0.003 0.000 0.262 544 Q C -0.398 175.779 176.000 0.295 0.000 0.981 544 Q CA -0.142 55.760 55.803 0.164 0.000 0.905 544 Q CB 1.781 30.619 28.738 0.165 0.000 1.186 544 Q HN 0.512 nan 8.270 nan 0.000 0.399 545 V N 0.012 120.061 119.914 0.225 0.000 2.564 545 V HA 0.311 4.428 4.120 -0.003 0.000 0.259 545 V C -2.504 173.731 176.094 0.235 0.000 0.936 545 V CA -2.080 60.377 62.300 0.261 0.000 0.867 545 V CB 1.049 33.061 31.823 0.314 0.000 1.076 545 V HN 0.517 nan 8.190 nan 0.000 0.476 546 P HA 0.097 nan 4.420 nan 0.000 0.261 546 P C 0.943 178.326 177.300 0.138 0.000 1.183 546 P CA 0.453 63.631 63.100 0.129 0.000 0.761 546 P CB 0.922 32.679 31.700 0.095 0.000 0.785 547 E N 1.961 122.230 120.200 0.115 0.000 2.352 547 E HA -0.237 4.110 4.350 -0.003 0.000 0.203 547 E C 1.830 178.461 176.600 0.053 0.000 1.024 547 E CA 1.739 58.188 56.400 0.081 0.000 0.842 547 E CB -0.336 29.394 29.700 0.051 0.000 0.753 547 E HN 0.612 nan 8.360 nan 0.000 0.508 548 S N 0.252 115.990 115.700 0.064 0.000 2.400 548 S HA -0.114 4.354 4.470 -0.003 0.000 0.232 548 S C 2.002 176.644 174.600 0.069 0.000 1.025 548 S CA 1.074 59.306 58.200 0.052 0.000 0.993 548 S CB -0.337 62.899 63.200 0.059 0.000 0.808 548 S HN 0.331 nan 8.310 nan 0.000 0.478 549 G N 0.255 109.129 108.800 0.123 0.000 3.088 549 G HA2 0.532 4.490 3.960 -0.003 0.000 0.217 549 G HA3 0.532 4.490 3.960 -0.003 0.000 0.217 549 G C 0.569 175.541 174.900 0.119 0.000 1.159 549 G CA -0.021 45.206 45.100 0.212 0.000 0.760 549 G HN 1.214 nan 8.290 nan 0.000 0.550 550 G N -0.625 108.159 108.800 -0.027 0.000 2.428 550 G HA2 0.105 4.063 3.960 -0.003 0.000 0.681 550 G HA3 0.105 4.063 3.960 -0.003 0.000 0.681 550 G C -0.200 174.418 174.900 -0.469 0.000 1.340 550 G CA -0.530 44.376 45.100 -0.324 0.000 0.915 550 G HN -0.020 nan 8.290 nan 0.000 0.645 551 K N -0.784 119.246 120.400 -0.616 0.000 2.438 551 K HA 0.344 4.661 4.320 -0.003 0.000 0.206 551 K C 0.615 176.858 176.600 -0.595 0.000 1.081 551 K CA 0.759 56.792 56.287 -0.423 0.000 1.053 551 K CB 1.170 33.593 32.500 -0.127 0.000 0.908 551 K HN 0.760 nan 8.250 nan 0.000 0.556 552 T N 0.152 114.097 114.554 -1.015 0.000 2.916 552 T HA 0.561 4.909 4.350 -0.003 0.000 0.298 552 T C -1.735 172.406 174.700 -0.932 0.000 1.031 552 T CA -0.586 61.088 62.100 -0.710 0.000 0.993 552 T CB 0.834 69.465 68.868 -0.395 0.000 1.045 552 T HN 0.026 nan 8.240 nan 0.000 0.454 553 W N 3.763 124.940 121.300 -0.205 0.000 2.950 553 W HA 0.625 5.283 4.660 -0.003 0.000 0.340 553 W C -1.208 175.248 176.519 -0.105 0.000 1.139 553 W CA -0.956 56.306 57.345 -0.138 0.000 1.188 553 W CB 2.035 31.470 29.460 -0.041 0.000 1.426 553 W HN 0.509 nan 8.180 nan 0.000 0.531 554 L N 2.643 123.990 121.223 0.208 0.000 2.325 554 L HA 0.322 4.660 4.340 -0.003 0.000 0.281 554 L C -0.298 176.714 176.870 0.238 0.000 1.004 554 L CA -0.018 54.938 54.840 0.194 0.000 0.823 554 L CB 0.935 43.138 42.059 0.240 0.000 1.236 554 L HN 0.202 nan 8.230 nan 0.000 0.415 555 D N 3.736 124.238 120.400 0.170 0.000 2.344 555 D HA 0.065 4.703 4.640 -0.003 0.000 0.253 555 D C 0.799 177.182 176.300 0.138 0.000 1.255 555 D CA -0.060 54.028 54.000 0.147 0.000 0.894 555 D CB 0.935 41.801 40.800 0.109 0.000 1.067 555 D HN 0.733 nan 8.370 nan 0.000 0.492 556 C N 3.614 122.998 119.300 0.141 0.000 2.430 556 C HA -0.029 4.429 4.460 -0.003 0.000 0.288 556 C C 2.404 177.433 174.990 0.066 0.000 1.448 556 C CA 0.109 59.185 59.018 0.097 0.000 1.784 556 C CB -1.075 26.700 27.740 0.057 0.000 1.776 556 C HN 0.673 nan 8.230 nan 0.000 0.547 557 L N 0.194 121.466 121.223 0.082 0.000 2.463 557 L HA 0.033 4.371 4.340 -0.003 0.000 0.219 557 L C 2.510 179.433 176.870 0.089 0.000 1.088 557 L CA 1.552 56.445 54.840 0.088 0.000 0.849 557 L CB -0.307 41.824 42.059 0.120 0.000 1.012 557 L HN 0.461 nan 8.230 nan 0.000 0.468 558 T N -5.677 108.928 114.554 0.086 0.000 2.959 558 T HA 0.271 4.619 4.350 -0.003 0.000 0.254 558 T C 1.430 176.174 174.700 0.073 0.000 1.003 558 T CA 0.555 62.701 62.100 0.077 0.000 0.950 558 T CB 1.032 69.944 68.868 0.074 0.000 1.090 558 T HN 0.275 nan 8.240 nan 0.000 0.503 559 G N 1.515 110.364 108.800 0.082 0.000 2.179 559 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.260 559 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.260 559 G C -0.166 174.783 174.900 0.083 0.000 0.977 559 G CA 0.281 45.431 45.100 0.083 0.000 0.641 559 G HN 0.840 nan 8.290 nan 0.000 0.533 560 E N 0.705 120.954 120.200 0.082 0.000 2.360 560 E HA 0.384 4.732 4.350 -0.003 0.000 0.269 560 E C -0.055 176.593 176.600 0.079 0.000 1.022 560 E CA -0.225 56.221 56.400 0.078 0.000 0.887 560 E CB 0.388 30.131 29.700 0.073 0.000 0.990 560 E HN 0.438 nan 8.360 nan 0.000 0.426 561 E N 3.271 123.512 120.200 0.068 0.000 2.166 561 E HA 0.318 4.666 4.350 -0.003 0.000 0.275 561 E C -1.087 175.498 176.600 -0.026 0.000 0.941 561 E CA -0.855 55.549 56.400 0.007 0.000 0.784 561 E CB 1.471 31.174 29.700 0.005 0.000 1.115 561 E HN 0.360 nan 8.360 nan 0.000 0.399 562 V N 1.494 121.358 119.914 -0.082 0.000 2.769 562 V HA 0.631 4.749 4.120 -0.003 0.000 0.312 562 V C -1.175 174.847 176.094 -0.120 0.000 1.061 562 V CA -0.755 61.553 62.300 0.013 0.000 0.931 562 V CB 1.581 33.477 31.823 0.121 0.000 1.010 562 V HN 0.697 nan 8.190 nan 0.000 0.433 563 H N 1.583 120.783 119.070 0.216 0.000 2.690 563 H HA 0.832 5.386 4.556 -0.003 0.000 0.368 563 H C 0.427 175.914 175.328 0.265 0.000 1.150 563 H CA 0.249 56.429 56.048 0.219 0.000 1.174 563 H CB 2.014 31.834 29.762 0.097 0.000 1.684 563 H HN 1.163 nan 8.280 nan 0.000 0.538 564 G N 0.742 109.817 108.800 0.459 0.000 2.412 564 G HA2 0.547 4.505 3.960 -0.003 0.000 0.318 564 G HA3 0.547 4.505 3.960 -0.003 0.000 0.318 564 G C -1.023 174.011 174.900 0.224 0.000 1.146 564 G CA -1.031 44.293 45.100 0.374 0.000 0.882 564 G HN 0.551 nan 8.290 nan 0.000 0.501 565 K N 0.221 120.717 120.400 0.160 0.000 2.471 565 K HA 0.501 4.819 4.320 -0.003 0.000 0.252 565 K C -0.180 176.474 176.600 0.089 0.000 0.938 565 K CA -0.992 55.358 56.287 0.105 0.000 0.796 565 K CB 1.649 34.194 32.500 0.076 0.000 1.161 565 K HN 0.570 nan 8.250 nan 0.000 0.425 566 Q N 1.531 121.378 119.800 0.077 0.000 2.451 566 Q HA -0.228 4.110 4.340 -0.003 0.000 0.305 566 Q C 0.501 176.549 176.000 0.080 0.000 1.345 566 Q CA 0.875 56.718 55.803 0.066 0.000 0.854 566 Q CB -2.043 26.724 28.738 0.049 0.000 1.162 566 Q HN 1.343 nan 8.270 nan 0.000 0.440 567 G N -0.578 108.286 108.800 0.107 0.000 2.153 567 G HA2 -0.337 3.621 3.960 -0.003 0.000 0.252 567 G HA3 -0.337 3.621 3.960 -0.003 0.000 0.252 567 G C -0.093 174.885 174.900 0.129 0.000 0.994 567 G CA 0.764 45.939 45.100 0.125 0.000 0.698 567 G HN 0.427 nan 8.290 nan 0.000 0.521 568 Q N -1.263 118.611 119.800 0.123 0.000 2.421 568 Q HA 0.736 5.074 4.340 -0.003 0.000 0.280 568 Q C -0.940 175.114 176.000 0.091 0.000 1.085 568 Q CA -0.866 54.989 55.803 0.088 0.000 0.807 568 Q CB 2.706 31.474 28.738 0.050 0.000 1.405 568 Q HN 0.242 nan 8.270 nan 0.000 0.419 569 L N 2.075 123.309 121.223 0.017 0.000 2.372 569 L HA 0.513 4.851 4.340 -0.003 0.000 0.274 569 L C -1.234 175.585 176.870 -0.086 0.000 0.988 569 L CA -0.488 54.341 54.840 -0.017 0.000 0.833 569 L CB 1.350 43.330 42.059 -0.133 0.000 1.236 569 L HN 0.491 nan 8.230 nan 0.000 0.410 570 K N 6.151 126.530 120.400 -0.036 0.000 2.253 570 K HA 0.599 4.917 4.320 -0.003 0.000 0.277 570 K C -1.544 175.017 176.600 -0.064 0.000 1.053 570 K CA -0.455 55.796 56.287 -0.060 0.000 0.892 570 K CB 0.842 33.330 32.500 -0.020 0.000 1.102 570 K HN 0.594 nan 8.250 nan 0.000 0.469 571 L N 2.840 123.994 121.223 -0.115 0.000 2.354 571 L HA 0.451 4.789 4.340 -0.003 0.000 0.269 571 L C -0.501 176.316 176.870 -0.088 0.000 1.005 571 L CA -0.940 53.840 54.840 -0.100 0.000 0.819 571 L CB 2.458 44.425 42.059 -0.154 0.000 1.311 571 L HN 0.579 nan 8.230 nan 0.000 0.423 572 T N 3.846 118.368 114.554 -0.054 0.000 2.833 572 T HA 0.541 4.889 4.350 -0.003 0.000 0.297 572 T C -0.588 174.090 174.700 -0.036 0.000 1.015 572 T CA -0.455 61.618 62.100 -0.046 0.000 0.963 572 T CB 0.914 69.766 68.868 -0.027 0.000 0.955 572 T HN 0.127 nan 8.240 nan 0.000 0.449 573 L N 3.214 124.410 121.223 -0.045 0.000 2.325 573 L HA 0.581 4.919 4.340 -0.003 0.000 0.278 573 L C 0.846 177.697 176.870 -0.031 0.000 1.023 573 L CA -0.728 54.095 54.840 -0.029 0.000 0.811 573 L CB 1.465 43.505 42.059 -0.032 0.000 1.249 573 L HN 0.497 nan 8.230 nan 0.000 0.431 574 R N 1.944 122.435 120.500 -0.014 0.000 2.580 574 R HA 0.323 4.661 4.340 -0.003 0.000 0.267 574 R C -2.191 174.085 176.300 -0.041 0.000 1.125 574 R CA -1.609 54.480 56.100 -0.019 0.000 1.188 574 R CB -0.123 30.179 30.300 0.004 0.000 1.155 574 R HN 0.348 nan 8.270 nan 0.000 0.586 575 P HA -0.106 nan 4.420 nan 0.000 0.261 575 P C -1.000 176.273 177.300 -0.045 0.000 1.183 575 P CA 0.811 63.810 63.100 -0.169 0.000 0.761 575 P CB -0.015 31.621 31.700 -0.108 0.000 0.785 576 Y N -0.708 119.596 120.300 0.008 0.000 3.721 576 Y HA -0.288 4.259 4.550 -0.004 0.000 0.218 576 Y C 0.933 176.856 175.900 0.039 0.000 1.188 576 Y CA 0.328 58.443 58.100 0.025 0.000 1.607 576 Y CB -1.878 36.589 38.460 0.013 0.000 1.496 576 Y HN 0.456 nan 8.280 nan 0.000 0.626 577 Q N 1.022 120.895 119.800 0.123 0.000 2.230 577 Q HA 0.601 4.938 4.340 -0.003 0.000 0.248 577 Q C 0.417 176.495 176.000 0.130 0.000 0.915 577 Q CA 0.058 55.926 55.803 0.109 0.000 0.900 577 Q CB 1.504 30.279 28.738 0.062 0.000 1.229 577 Q HN 0.381 nan 8.270 nan 0.000 0.439 578 G N 3.219 112.108 108.800 0.148 0.000 2.513 578 G HA2 0.608 4.566 3.960 -0.003 0.000 0.317 578 G HA3 0.608 4.566 3.960 -0.003 0.000 0.317 578 G C -1.043 173.935 174.900 0.130 0.000 1.277 578 G CA -0.667 44.532 45.100 0.165 0.000 0.955 578 G HN 0.590 nan 8.290 nan 0.000 0.484 579 M N 1.504 121.162 119.600 0.097 0.000 2.456 579 M HA 0.498 4.976 4.480 -0.003 0.000 0.324 579 M C -0.738 175.604 176.300 0.072 0.000 1.124 579 M CA -0.536 54.810 55.300 0.078 0.000 0.959 579 M CB 2.764 35.391 32.600 0.046 0.000 1.692 579 M HN 0.242 nan 8.290 nan 0.000 0.444 580 I N 4.524 125.142 120.570 0.081 0.000 2.502 580 I HA 0.309 4.477 4.170 -0.003 0.000 0.276 580 I C -1.050 175.141 176.117 0.123 0.000 1.057 580 I CA -0.356 60.987 61.300 0.072 0.000 1.163 580 I CB 0.680 38.716 38.000 0.059 0.000 1.288 580 I HN 0.511 nan 8.210 nan 0.000 0.479 581 L N 4.993 126.294 121.223 0.130 0.000 2.261 581 L HA 0.293 4.631 4.340 -0.003 0.000 0.289 581 L C -0.633 176.442 176.870 0.341 0.000 1.059 581 L CA -0.325 54.641 54.840 0.210 0.000 0.816 581 L CB 0.426 42.545 42.059 0.101 0.000 1.191 581 L HN 0.550 nan 8.230 nan 0.000 0.431 582 W N 5.594 127.005 121.300 0.185 0.000 2.351 582 W HA 0.239 4.897 4.660 -0.004 0.000 0.311 582 W C 1.064 177.714 176.519 0.219 0.000 1.168 582 W CA -0.977 56.467 57.345 0.164 0.000 1.200 582 W CB 0.794 30.300 29.460 0.077 0.000 1.221 582 W HN 0.600 nan 8.180 nan 0.000 0.519 583 N N 4.032 122.636 118.700 -0.160 0.000 2.434 583 N HA 0.039 4.777 4.740 -0.003 0.000 0.196 583 N C 1.200 176.125 175.510 -0.975 0.000 1.183 583 N CA 0.750 53.511 53.050 -0.481 0.000 0.849 583 N CB -0.296 38.096 38.487 -0.159 0.000 0.992 583 N HN 0.968 nan 8.380 nan 0.000 0.460 584 G N 0.063 107.626 108.800 -2.060 0.000 2.168 584 G HA2 -0.335 3.623 3.960 -0.003 0.000 0.263 584 G HA3 -0.335 3.623 3.960 -0.003 0.000 0.263 584 G C 0.126 174.447 174.900 -0.965 0.000 0.977 584 G CA 0.536 44.322 45.100 -2.190 0.000 0.659 584 G HN 0.559 nan 8.290 nan 0.000 0.533 585 R N 0.000 120.199 120.500 -0.502 0.000 2.786 585 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 585 R CA 0.000 56.071 56.100 -0.048 0.000 0.921 585 R CB 0.000 30.210 30.300 -0.150 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535