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 1g1y_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 IVGAIWHDAS 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 0.000 176.220 176.300 -0.134 0.000 1.140 1 M CA 0.000 55.237 55.300 -0.105 0.000 0.988 1 M CB 0.000 32.529 32.600 -0.118 0.000 1.302 2 L N 5.560 126.705 121.223 -0.130 0.000 2.264 2 L HA 0.452 4.790 4.340 -0.002 0.000 0.289 2 L C -0.345 176.404 176.870 -0.203 0.000 1.044 2 L CA 0.134 54.894 54.840 -0.133 0.000 0.807 2 L CB 1.096 43.100 42.059 -0.091 0.000 1.192 2 L HN 0.925 nan 8.230 nan 0.000 0.425 3 L N 2.898 123.940 121.223 -0.302 0.000 2.509 3 L HA 0.099 4.438 4.340 -0.002 0.000 0.222 3 L C 1.168 177.847 176.870 -0.319 0.000 1.123 3 L CA 0.142 54.634 54.840 -0.580 0.000 0.856 3 L CB -0.093 41.338 42.059 -1.047 0.000 0.985 3 L HN 0.667 nan 8.230 nan 0.000 0.456 4 E N 0.653 120.772 120.200 -0.136 0.000 2.478 4 E HA -0.052 4.297 4.350 -0.002 0.000 0.198 4 E C 1.775 178.406 176.600 0.052 0.000 1.046 4 E CA 0.736 57.132 56.400 -0.007 0.000 0.870 4 E CB 0.060 29.759 29.700 -0.002 0.000 0.818 4 E HN 0.367 nan 8.360 nan 0.000 0.527 5 A N -0.060 122.780 122.820 0.034 0.000 2.343 5 A HA 0.245 4.564 4.320 -0.002 0.000 0.223 5 A C 0.677 178.351 177.584 0.149 0.000 1.214 5 A CA -0.337 51.784 52.037 0.141 0.000 0.900 5 A CB 0.186 19.260 19.000 0.123 0.000 0.942 5 A HN 0.094 nan 8.150 nan 0.000 0.507 6 I N 0.500 121.104 120.570 0.056 0.000 2.471 6 I HA 0.271 4.440 4.170 -0.002 0.000 0.286 6 I C -0.560 175.599 176.117 0.071 0.000 1.079 6 I CA 0.154 61.455 61.300 0.001 0.000 1.398 6 I CB 0.650 38.575 38.000 -0.125 0.000 1.403 6 I HN 0.309 nan 8.210 nan 0.000 0.530 7 F N 6.692 126.596 119.950 -0.076 0.000 2.569 7 F HA 0.539 5.064 4.527 -0.002 0.000 0.312 7 F C -0.689 175.115 175.800 0.007 0.000 1.109 7 F CA -0.491 57.474 58.000 -0.058 0.000 0.919 7 F CB 1.408 40.245 39.000 -0.270 0.000 1.211 7 F HN 0.471 nan 8.300 nan 0.000 0.446 8 H N 3.180 121.946 119.070 -0.508 0.000 3.046 8 H HA 0.485 5.040 4.556 -0.002 0.000 0.363 8 H C -1.801 173.020 175.328 -0.846 0.000 1.203 8 H CA -0.499 55.248 56.048 -0.501 0.000 1.169 8 H CB 1.889 31.548 29.762 -0.172 0.000 1.851 8 H HN 0.691 nan 8.280 nan 0.000 0.546 9 E N 2.592 121.998 120.200 -1.323 0.000 2.369 9 E HA 0.649 4.997 4.350 -0.002 0.000 0.270 9 E C -1.092 175.094 176.600 -0.690 0.000 0.909 9 E CA -1.339 54.593 56.400 -0.781 0.000 0.775 9 E CB 2.220 31.760 29.700 -0.266 0.000 1.270 9 E HN 0.546 nan 8.360 nan 0.000 0.445 10 A N 2.440 125.131 122.820 -0.215 0.000 2.797 10 A HA 0.191 4.510 4.320 -0.002 0.000 0.287 10 A C -0.084 177.651 177.584 0.251 0.000 1.369 10 A CA -0.196 51.913 52.037 0.121 0.000 0.968 10 A CB -0.577 18.551 19.000 0.213 0.000 1.069 10 A HN 0.543 nan 8.150 nan 0.000 0.571 11 K N -2.662 117.843 120.400 0.175 0.000 2.466 11 K HA 0.759 5.078 4.320 -0.002 0.000 0.277 11 K C 0.579 177.321 176.600 0.237 0.000 1.039 11 K CA -0.398 56.025 56.287 0.226 0.000 0.904 11 K CB 0.412 32.999 32.500 0.145 0.000 1.506 11 K HN 1.103 nan 8.250 nan 0.000 0.441 12 G N 0.740 109.682 108.800 0.236 0.000 2.523 12 G HA2 -0.334 3.624 3.960 -0.002 0.000 0.271 12 G HA3 -0.334 3.624 3.960 -0.002 0.000 0.271 12 G C 0.626 175.692 174.900 0.277 0.000 1.146 12 G CA 0.449 45.684 45.100 0.224 0.000 0.961 12 G HN 0.583 nan 8.290 nan 0.000 0.549 13 S N -0.447 115.396 115.700 0.238 0.000 2.492 13 S HA 0.246 4.714 4.470 -0.002 0.000 0.218 13 S C 1.748 176.360 174.600 0.020 0.000 1.016 13 S CA 1.394 59.680 58.200 0.143 0.000 0.916 13 S CB 0.046 63.197 63.200 -0.081 0.000 0.791 13 S HN 0.484 nan 8.310 nan 0.000 0.513 14 Y N 1.755 122.148 120.300 0.155 0.000 2.517 14 Y HA 0.503 5.051 4.550 -0.002 0.000 0.281 14 Y C 0.902 176.767 175.900 -0.059 0.000 1.125 14 Y CA 0.142 58.268 58.100 0.043 0.000 1.283 14 Y CB 0.241 38.688 38.460 -0.022 0.000 1.042 14 Y HN 0.202 nan 8.280 nan 0.000 0.547 15 A N -0.148 122.700 122.820 0.046 0.000 2.488 15 A HA 0.718 5.037 4.320 -0.002 0.000 0.298 15 A C -1.903 175.598 177.584 -0.137 0.000 1.044 15 A CA -0.609 51.343 52.037 -0.142 0.000 0.693 15 A CB 0.845 19.836 19.000 -0.015 0.000 1.272 15 A HN 0.217 nan 8.150 nan 0.000 0.402 16 Y N 0.142 120.331 120.300 -0.185 0.000 2.474 16 Y HA 0.721 5.269 4.550 -0.002 0.000 0.326 16 Y C -3.256 172.525 175.900 -0.199 0.000 1.160 16 Y CA -2.955 55.064 58.100 -0.135 0.000 1.056 16 Y CB 0.889 39.357 38.460 0.014 0.000 1.330 16 Y HN 0.459 nan 8.280 nan 0.000 0.447 17 P HA 0.098 nan 4.420 nan 0.000 0.266 17 P C 0.637 178.003 177.300 0.109 0.000 1.195 17 P CA 0.075 63.167 63.100 -0.014 0.000 0.768 17 P CB 1.658 33.387 31.700 0.049 0.000 0.838 18 I N -0.074 120.509 120.570 0.022 0.000 3.645 18 I HA 0.140 4.309 4.170 -0.002 0.000 0.300 18 I C 0.507 176.631 176.117 0.012 0.000 1.260 18 I CA 0.067 61.393 61.300 0.043 0.000 1.365 18 I CB 0.171 38.177 38.000 0.010 0.000 1.077 18 I HN 0.364 nan 8.210 nan 0.000 0.439 19 S N 0.246 115.940 115.700 -0.010 0.000 2.643 19 S HA 0.248 4.716 4.470 -0.002 0.000 0.270 19 S C 0.476 175.057 174.600 -0.031 0.000 1.166 19 S CA -0.167 58.025 58.200 -0.013 0.000 0.815 19 S CB 1.219 64.403 63.200 -0.026 0.000 1.139 19 S HN 0.403 nan 8.310 nan 0.000 0.472 20 E N 0.293 120.472 120.200 -0.035 0.000 2.204 20 E HA -0.115 4.233 4.350 -0.002 0.000 0.195 20 E C 1.214 177.750 176.600 -0.106 0.000 0.990 20 E CA 1.656 58.010 56.400 -0.078 0.000 0.821 20 E CB -0.863 28.788 29.700 -0.083 0.000 0.750 20 E HN 0.781 nan 8.360 nan 0.000 0.477 21 T N -1.880 112.628 114.554 -0.076 0.000 3.169 21 T HA 0.096 4.445 4.350 -0.002 0.000 0.250 21 T C 0.341 174.981 174.700 -0.101 0.000 1.111 21 T CA -0.235 61.817 62.100 -0.080 0.000 1.010 21 T CB -0.009 68.829 68.868 -0.050 0.000 0.984 21 T HN 0.111 nan 8.240 nan 0.000 0.537 22 Q N 0.434 120.163 119.800 -0.118 0.000 2.309 22 Q HA 0.652 4.990 4.340 -0.002 0.000 0.273 22 Q C -2.087 173.792 176.000 -0.201 0.000 1.040 22 Q CA -0.935 54.778 55.803 -0.150 0.000 0.834 22 Q CB 2.766 31.440 28.738 -0.107 0.000 1.345 22 Q HN 0.226 nan 8.270 nan 0.000 0.414 23 L N 1.931 122.976 121.223 -0.296 0.000 2.376 23 L HA 0.531 4.870 4.340 -0.002 0.000 0.275 23 L C -1.089 175.521 176.870 -0.434 0.000 0.987 23 L CA -0.357 54.239 54.840 -0.406 0.000 0.828 23 L CB 1.635 43.381 42.059 -0.522 0.000 1.249 23 L HN 0.565 nan 8.230 nan 0.000 0.409 24 R N 3.680 123.894 120.500 -0.477 0.000 2.298 24 R HA 0.631 4.970 4.340 -0.002 0.000 0.310 24 R C -1.508 174.455 176.300 -0.561 0.000 1.068 24 R CA -0.218 55.584 56.100 -0.497 0.000 0.957 24 R CB 0.925 30.870 30.300 -0.592 0.000 1.003 24 R HN 0.558 nan 8.270 nan 0.000 0.454 25 V N 5.771 125.463 119.914 -0.370 0.000 2.555 25 V HA 0.516 4.635 4.120 -0.002 0.000 0.302 25 V C -0.070 176.049 176.094 0.042 0.000 1.038 25 V CA -0.687 61.492 62.300 -0.201 0.000 0.887 25 V CB 1.797 33.375 31.823 -0.407 0.000 0.991 25 V HN 0.815 nan 8.190 nan 0.000 0.434 26 R N 3.744 124.388 120.500 0.241 0.000 2.803 26 R HA 0.759 5.098 4.340 -0.002 0.000 0.276 26 R C -1.423 175.266 176.300 0.648 0.000 0.978 26 R CA -0.783 55.524 56.100 0.344 0.000 0.939 26 R CB 2.457 32.850 30.300 0.154 0.000 1.179 26 R HN 0.570 nan 8.270 nan 0.000 0.472 27 L N 2.113 123.645 121.223 0.515 0.000 2.436 27 L HA 0.532 4.871 4.340 -0.002 0.000 0.268 27 L C -1.056 176.043 176.870 0.381 0.000 0.974 27 L CA -0.825 54.222 54.840 0.345 0.000 0.826 27 L CB 1.896 43.910 42.059 -0.076 0.000 1.291 27 L HN 0.621 nan 8.230 nan 0.000 0.406 28 R N 4.323 124.987 120.500 0.274 0.000 2.368 28 R HA 0.866 5.205 4.340 -0.002 0.000 0.302 28 R C -1.330 175.027 176.300 0.094 0.000 1.002 28 R CA -0.074 56.065 56.100 0.065 0.000 0.929 28 R CB 1.721 31.966 30.300 -0.091 0.000 1.073 28 R HN 0.703 nan 8.270 nan 0.000 0.464 29 A N 3.632 126.538 122.820 0.142 0.000 2.515 29 A HA 0.364 4.683 4.320 -0.002 0.000 0.298 29 A C -1.159 176.559 177.584 0.224 0.000 1.059 29 A CA -0.950 51.208 52.037 0.201 0.000 0.698 29 A CB 1.480 20.625 19.000 0.241 0.000 1.289 29 A HN 0.684 nan 8.150 nan 0.000 0.404 30 K N 1.374 121.845 120.400 0.117 0.000 2.559 30 K HA -0.034 4.284 4.320 -0.002 0.000 0.279 30 K C 0.113 176.664 176.600 -0.083 0.000 0.967 30 K CA 0.425 56.650 56.287 -0.103 0.000 1.000 30 K CB 0.329 32.761 32.500 -0.113 0.000 0.890 30 K HN 0.734 nan 8.250 nan 0.000 0.501 31 K N 0.974 121.275 120.400 -0.166 0.000 2.382 31 K HA 0.022 4.341 4.320 -0.002 0.000 0.275 31 K C 0.870 177.446 176.600 -0.041 0.000 1.009 31 K CA 1.134 57.375 56.287 -0.076 0.000 0.970 31 K CB 0.209 32.652 32.500 -0.095 0.000 0.934 31 K HN 0.814 nan 8.250 nan 0.000 0.479 32 G N 3.640 112.446 108.800 0.010 0.000 2.396 32 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.242 32 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.242 32 G C 0.763 175.672 174.900 0.014 0.000 1.069 32 G CA 0.501 45.608 45.100 0.011 0.000 0.633 32 G HN 0.766 nan 8.290 nan 0.000 0.517 33 D N 0.301 120.703 120.400 0.003 0.000 2.149 33 D HA 0.075 4.713 4.640 -0.002 0.000 0.198 33 D C 1.645 177.944 176.300 -0.001 0.000 0.990 33 D CA 1.890 55.884 54.000 -0.010 0.000 0.839 33 D CB -0.080 40.703 40.800 -0.029 0.000 0.948 33 D HN 1.206 nan 8.370 nan 0.000 0.460 34 V N -1.112 118.825 119.914 0.038 0.000 2.540 34 V HA 0.482 4.601 4.120 -0.002 0.000 0.302 34 V C 0.911 176.987 176.094 -0.029 0.000 1.035 34 V CA -0.591 61.684 62.300 -0.042 0.000 0.873 34 V CB 1.985 33.723 31.823 -0.142 0.000 0.992 34 V HN -0.056 nan 8.190 nan 0.000 0.428 35 V N 1.991 121.866 119.914 -0.064 0.000 2.806 35 V HA 0.484 4.603 4.120 -0.002 0.000 0.239 35 V C 1.074 177.137 176.094 -0.050 0.000 1.113 35 V CA 0.360 62.658 62.300 -0.003 0.000 1.137 35 V CB -0.154 31.680 31.823 0.019 0.000 0.865 35 V HN 0.914 nan 8.190 nan 0.000 0.482 36 R N -0.293 120.142 120.500 -0.109 0.000 2.532 36 R HA 0.639 4.978 4.340 -0.002 0.000 0.295 36 R C -1.618 174.540 176.300 -0.236 0.000 0.968 36 R CA -0.103 55.935 56.100 -0.104 0.000 0.916 36 R CB 1.563 31.835 30.300 -0.047 0.000 1.124 36 R HN 0.571 nan 8.270 nan 0.000 0.463 37 C N 2.834 121.990 119.300 -0.241 0.000 2.626 37 C HA 0.592 5.051 4.460 -0.002 0.000 0.310 37 C C -1.052 173.963 174.990 0.042 0.000 1.191 37 C CA -0.242 58.655 59.018 -0.202 0.000 1.517 37 C CB 1.423 28.905 27.740 -0.431 0.000 2.102 37 C HN 0.983 nan 8.230 nan 0.000 0.479 38 E N 3.239 123.530 120.200 0.152 0.000 2.372 38 E HA 0.640 4.988 4.350 -0.002 0.000 0.279 38 E C -1.797 174.949 176.600 0.242 0.000 0.946 38 E CA -0.456 56.055 56.400 0.185 0.000 0.769 38 E CB 2.222 32.007 29.700 0.141 0.000 1.230 38 E HN 0.558 nan 8.360 nan 0.000 0.442 39 V N 3.974 123.997 119.914 0.182 0.000 2.435 39 V HA 0.429 4.548 4.120 -0.002 0.000 0.290 39 V C -0.481 175.697 176.094 0.140 0.000 1.030 39 V CA -0.750 61.594 62.300 0.075 0.000 0.881 39 V CB 1.178 32.951 31.823 -0.083 0.000 0.983 39 V HN 0.532 nan 8.190 nan 0.000 0.445 40 L N 6.485 127.769 121.223 0.103 0.000 2.296 40 L HA 0.647 4.986 4.340 -0.002 0.000 0.286 40 L C -0.624 176.263 176.870 0.029 0.000 1.023 40 L CA -0.179 54.651 54.840 -0.017 0.000 0.812 40 L CB 1.085 43.159 42.059 0.026 0.000 1.223 40 L HN 0.752 nan 8.230 nan 0.000 0.421 41 Y N 1.702 121.930 120.300 -0.120 0.000 2.553 41 Y HA 0.978 5.527 4.550 -0.002 0.000 0.347 41 Y C -0.643 175.212 175.900 -0.076 0.000 1.019 41 Y CA -1.284 56.775 58.100 -0.069 0.000 1.032 41 Y CB 1.545 39.978 38.460 -0.044 0.000 1.284 41 Y HN 0.607 nan 8.280 nan 0.000 0.466 42 A N 1.321 124.222 122.820 0.134 0.000 2.530 42 A HA 0.444 4.763 4.320 -0.002 0.000 0.288 42 A C -1.272 176.381 177.584 0.115 0.000 1.172 42 A CA -0.720 51.358 52.037 0.068 0.000 0.733 42 A CB 1.319 20.318 19.000 -0.001 0.000 1.320 42 A HN 0.921 nan 8.150 nan 0.000 0.419 43 D N -0.185 120.266 120.400 0.085 0.000 2.382 43 D HA 0.085 4.724 4.640 -0.002 0.000 0.240 43 D C 0.924 177.248 176.300 0.041 0.000 1.146 43 D CA -0.168 53.878 54.000 0.076 0.000 0.897 43 D CB 0.697 41.549 40.800 0.087 0.000 1.197 43 D HN 0.518 nan 8.370 nan 0.000 0.432 44 R N 1.852 122.341 120.500 -0.019 0.000 2.094 44 R HA -0.206 4.133 4.340 -0.002 0.000 0.239 44 R C 1.442 177.705 176.300 -0.062 0.000 1.137 44 R CA 1.582 57.609 56.100 -0.121 0.000 0.943 44 R CB -0.314 29.801 30.300 -0.308 0.000 0.850 44 R HN 0.623 nan 8.270 nan 0.000 0.433 45 Y N 0.506 120.818 120.300 0.022 0.000 2.496 45 Y HA 0.246 4.795 4.550 -0.002 0.000 0.313 45 Y C 0.599 176.503 175.900 0.006 0.000 1.184 45 Y CA -0.950 57.156 58.100 0.010 0.000 1.275 45 Y CB 0.172 38.639 38.460 0.012 0.000 1.103 45 Y HN 0.093 nan 8.280 nan 0.000 0.513 46 A N 0.903 123.798 122.820 0.126 0.000 2.388 46 A HA 0.389 4.708 4.320 -0.002 0.000 0.257 46 A C 0.516 178.129 177.584 0.048 0.000 1.095 46 A CA -0.451 51.630 52.037 0.073 0.000 0.791 46 A CB 0.171 19.195 19.000 0.041 0.000 1.029 46 A HN 0.360 nan 8.150 nan 0.000 0.489 47 S N 2.059 117.777 115.700 0.031 0.000 2.617 47 S HA 0.424 4.893 4.470 -0.002 0.000 0.269 47 S C -2.111 172.489 174.600 0.001 0.000 1.292 47 S CA -0.921 57.288 58.200 0.016 0.000 1.010 47 S CB 0.670 63.876 63.200 0.010 0.000 0.944 47 S HN 0.421 nan 8.310 nan 0.000 0.536 48 P HA 0.050 nan 4.420 nan 0.000 0.230 48 P C 1.140 178.430 177.300 -0.016 0.000 1.158 48 P CA 0.494 63.584 63.100 -0.017 0.000 0.769 48 P CB 0.071 31.759 31.700 -0.020 0.000 0.807 49 E N 0.362 120.555 120.200 -0.011 0.000 2.209 49 E HA -0.135 4.214 4.350 -0.002 0.000 0.196 49 E C 0.323 176.916 176.600 -0.012 0.000 0.993 49 E CA 0.930 57.324 56.400 -0.010 0.000 0.819 49 E CB -0.130 29.566 29.700 -0.006 0.000 0.745 49 E HN 0.536 nan 8.360 nan 0.000 0.477 50 E N 1.198 121.389 120.200 -0.015 0.000 2.354 50 E HA 0.068 4.417 4.350 -0.002 0.000 0.269 50 E C 0.106 176.688 176.600 -0.031 0.000 1.036 50 E CA -0.204 56.183 56.400 -0.021 0.000 0.876 50 E CB 0.883 30.571 29.700 -0.020 0.000 1.009 50 E HN -0.002 nan 8.360 nan 0.000 0.416 51 E N 1.823 122.004 120.200 -0.032 0.000 2.404 51 E HA 0.043 4.392 4.350 -0.002 0.000 0.261 51 E C -0.511 176.021 176.600 -0.113 0.000 1.074 51 E CA -0.094 56.281 56.400 -0.042 0.000 0.917 51 E CB 0.671 30.368 29.700 -0.005 0.000 0.965 51 E HN 0.283 nan 8.360 nan 0.000 0.433 52 L N 1.874 122.994 121.223 -0.171 0.000 2.371 52 L HA 0.233 4.572 4.340 -0.002 0.000 0.272 52 L C 0.583 177.123 176.870 -0.550 0.000 1.124 52 L CA -0.168 54.492 54.840 -0.299 0.000 0.816 52 L CB 0.970 42.865 42.059 -0.273 0.000 1.129 52 L HN 0.487 nan 8.230 nan 0.000 0.448 53 A N 2.342 124.764 122.820 -0.663 0.000 2.366 53 A HA 0.330 4.649 4.320 -0.002 0.000 0.249 53 A C -0.379 176.590 177.584 -1.025 0.000 1.084 53 A CA -0.255 51.312 52.037 -0.784 0.000 0.794 53 A CB 0.046 18.495 19.000 -0.918 0.000 1.034 53 A HN 0.676 nan 8.150 nan 0.000 0.491 54 H N -0.294 118.595 119.070 -0.301 0.000 2.492 54 H HA 0.653 5.208 4.556 -0.002 0.000 0.345 54 H C -0.352 174.963 175.328 -0.022 0.000 1.136 54 H CA 0.173 56.141 56.048 -0.134 0.000 1.202 54 H CB 1.914 31.646 29.762 -0.050 0.000 1.524 54 H HN 0.827 nan 8.280 nan 0.000 0.506 55 A N 4.128 127.054 122.820 0.176 0.000 2.414 55 A HA 0.305 4.624 4.320 -0.002 0.000 0.286 55 A C -0.829 176.850 177.584 0.159 0.000 1.073 55 A CA -0.639 51.514 52.037 0.193 0.000 0.727 55 A CB 1.053 20.218 19.000 0.276 0.000 1.215 55 A HN 0.652 nan 8.150 nan 0.000 0.430 56 L N 2.592 123.895 121.223 0.133 0.000 2.380 56 L HA 0.593 4.931 4.340 -0.002 0.000 0.273 56 L C 0.583 177.537 176.870 0.141 0.000 1.138 56 L CA -0.291 54.626 54.840 0.128 0.000 0.832 56 L CB 1.229 43.350 42.059 0.103 0.000 1.124 56 L HN 0.817 nan 8.230 nan 0.000 0.454 57 A N 4.503 127.430 122.820 0.178 0.000 2.260 57 A HA 0.579 4.897 4.320 -0.002 0.000 0.312 57 A C 0.321 178.090 177.584 0.308 0.000 1.321 57 A CA -0.157 52.020 52.037 0.234 0.000 0.928 57 A CB 0.483 19.671 19.000 0.313 0.000 1.158 57 A HN 0.849 nan 8.150 nan 0.000 0.542 58 G N 1.211 110.154 108.800 0.238 0.000 2.606 58 G HA2 0.354 4.312 3.960 -0.002 0.000 0.252 58 G HA3 0.354 4.312 3.960 -0.002 0.000 0.252 58 G C 0.096 175.152 174.900 0.260 0.000 1.206 58 G CA -0.629 44.614 45.100 0.238 0.000 0.861 58 G HN 0.772 nan 8.290 nan 0.000 0.561 59 K N 0.906 121.423 120.400 0.194 0.000 2.336 59 K HA 0.296 4.614 4.320 -0.002 0.000 0.290 59 K C 1.095 177.664 176.600 -0.052 0.000 1.067 59 K CA -0.041 56.193 56.287 -0.088 0.000 0.962 59 K CB 0.454 32.940 32.500 -0.023 0.000 1.008 59 K HN 0.406 nan 8.250 nan 0.000 0.467 60 A N 3.783 126.549 122.820 -0.091 0.000 2.252 60 A HA 0.221 4.539 4.320 -0.002 0.000 0.207 60 A C 0.710 178.279 177.584 -0.025 0.000 1.194 60 A CA 0.732 52.750 52.037 -0.033 0.000 0.809 60 A CB -0.349 18.632 19.000 -0.031 0.000 0.814 60 A HN 0.966 nan 8.150 nan 0.000 0.482 61 G N -2.246 106.543 108.800 -0.018 0.000 2.355 61 G HA2 0.321 4.280 3.960 -0.002 0.000 0.619 61 G HA3 0.321 4.280 3.960 -0.002 0.000 0.619 61 G C -0.787 174.168 174.900 0.092 0.000 1.337 61 G CA -0.344 44.777 45.100 0.036 0.000 0.993 61 G HN 0.833 nan 8.290 nan 0.000 0.599 62 S N 0.697 116.464 115.700 0.112 0.000 2.571 62 S HA 0.680 5.148 4.470 -0.002 0.000 0.284 62 S C -0.294 174.392 174.600 0.143 0.000 1.128 62 S CA -0.398 57.875 58.200 0.122 0.000 0.970 62 S CB 2.041 65.268 63.200 0.044 0.000 1.039 62 S HN 1.086 nan 8.310 nan 0.000 0.485 63 D N 1.471 121.997 120.400 0.211 0.000 2.539 63 D HA 0.159 4.797 4.640 -0.002 0.000 0.280 63 D C 1.297 177.632 176.300 0.058 0.000 1.208 63 D CA -0.519 53.570 54.000 0.147 0.000 1.088 63 D CB 0.119 41.078 40.800 0.266 0.000 1.149 63 D HN 0.625 nan 8.370 nan 0.000 0.596 64 E N 0.504 120.716 120.200 0.020 0.000 2.095 64 E HA -0.327 4.021 4.350 -0.002 0.000 0.212 64 E C 1.774 178.328 176.600 -0.077 0.000 1.044 64 E CA 1.602 57.988 56.400 -0.023 0.000 0.857 64 E CB -0.223 29.460 29.700 -0.028 0.000 0.764 64 E HN 0.414 nan 8.360 nan 0.000 0.462 65 R N -0.987 119.430 120.500 -0.137 0.000 2.307 65 R HA 0.274 4.612 4.340 -0.002 0.000 0.200 65 R C -0.186 175.726 176.300 -0.646 0.000 0.893 65 R CA -0.099 55.746 56.100 -0.424 0.000 1.042 65 R CB 0.497 30.413 30.300 -0.640 0.000 1.059 65 R HN 0.096 nan 8.270 nan 0.000 0.530 66 F N 0.529 120.414 119.950 -0.109 0.000 2.532 66 F HA 0.315 4.840 4.527 -0.002 0.000 0.321 66 F C 0.293 175.944 175.800 -0.248 0.000 1.089 66 F CA -1.213 56.656 58.000 -0.218 0.000 0.926 66 F CB 1.457 40.216 39.000 -0.401 0.000 1.168 66 F HN -0.265 nan 8.300 nan 0.000 0.459 67 D N 0.701 121.061 120.400 -0.065 0.000 2.348 67 D HA 0.240 4.878 4.640 -0.002 0.000 0.249 67 D C -1.243 174.830 176.300 -0.379 0.000 1.110 67 D CA 0.135 54.050 54.000 -0.142 0.000 0.967 67 D CB 1.318 42.082 40.800 -0.059 0.000 1.139 67 D HN 0.401 nan 8.370 nan 0.000 0.466 68 Y N 0.156 120.261 120.300 -0.325 0.000 2.354 68 Y HA 0.299 4.848 4.550 -0.002 0.000 0.330 68 Y C -0.464 175.057 175.900 -0.631 0.000 1.011 68 Y CA -0.858 57.085 58.100 -0.262 0.000 1.099 68 Y CB 1.084 39.476 38.460 -0.114 0.000 1.179 68 Y HN 0.129 nan 8.280 nan 0.000 0.442 69 F N 1.901 121.993 119.950 0.237 0.000 2.397 69 F HA 0.509 5.035 4.527 -0.002 0.000 0.331 69 F C 0.137 176.045 175.800 0.179 0.000 1.090 69 F CA -0.820 57.284 58.000 0.174 0.000 1.065 69 F CB 1.566 40.642 39.000 0.127 0.000 1.184 69 F HN 0.368 nan 8.300 nan 0.000 0.499 70 E N 1.613 121.956 120.200 0.238 0.000 2.290 70 E HA 0.744 5.092 4.350 -0.002 0.000 0.274 70 E C -1.781 174.893 176.600 0.124 0.000 0.889 70 E CA -0.696 55.791 56.400 0.144 0.000 0.760 70 E CB 1.896 31.630 29.700 0.055 0.000 1.206 70 E HN 0.768 nan 8.360 nan 0.000 0.419 71 A N 3.271 126.132 122.820 0.069 0.000 2.486 71 A HA 0.805 5.123 4.320 -0.002 0.000 0.289 71 A C -1.825 175.708 177.584 -0.085 0.000 1.176 71 A CA -0.739 51.313 52.037 0.025 0.000 0.757 71 A CB 1.561 20.584 19.000 0.039 0.000 1.337 71 A HN 0.458 nan 8.150 nan 0.000 0.423 72 L N 0.474 121.639 121.223 -0.097 0.000 2.404 72 L HA 0.647 4.986 4.340 -0.002 0.000 0.272 72 L C -1.918 174.833 176.870 -0.199 0.000 0.980 72 L CA -0.349 54.395 54.840 -0.160 0.000 0.836 72 L CB 1.474 43.475 42.059 -0.097 0.000 1.238 72 L HN 0.468 nan 8.230 nan 0.000 0.408 73 L N 5.237 126.234 121.223 -0.377 0.000 2.262 73 L HA 0.445 4.783 4.340 -0.002 0.000 0.288 73 L C 0.037 176.647 176.870 -0.433 0.000 1.035 73 L CA -0.111 54.343 54.840 -0.645 0.000 0.820 73 L CB 1.019 42.485 42.059 -0.988 0.000 1.204 73 L HN 0.513 nan 8.230 nan 0.000 0.424 74 E N 2.844 122.923 120.200 -0.202 0.000 2.166 74 E HA 0.127 4.476 4.350 -0.002 0.000 0.279 74 E C -0.754 175.803 176.600 -0.072 0.000 1.095 74 E CA -0.003 56.347 56.400 -0.084 0.000 0.888 74 E CB 0.839 30.552 29.700 0.021 0.000 1.041 74 E HN 0.441 nan 8.360 nan 0.000 0.414 75 C N 3.287 122.519 119.300 -0.113 0.000 2.301 75 C HA 0.183 4.642 4.460 -0.002 0.000 0.313 75 C C 1.853 176.818 174.990 -0.041 0.000 1.121 75 C CA -0.493 58.480 59.018 -0.074 0.000 1.507 75 C CB -0.229 27.428 27.740 -0.137 0.000 1.975 75 C HN 0.712 nan 8.230 nan 0.000 0.425 76 S N 1.690 117.392 115.700 0.003 0.000 2.371 76 S HA -0.133 4.336 4.470 -0.002 0.000 0.224 76 S C 2.077 176.680 174.600 0.006 0.000 1.029 76 S CA 1.985 60.188 58.200 0.004 0.000 0.978 76 S CB -0.113 63.102 63.200 0.024 0.000 0.833 76 S HN 0.936 nan 8.310 nan 0.000 0.466 77 T N -0.556 114.014 114.554 0.026 0.000 3.194 77 T HA 0.200 4.549 4.350 -0.002 0.000 0.251 77 T C 0.317 175.032 174.700 0.024 0.000 1.132 77 T CA 0.109 62.241 62.100 0.053 0.000 1.028 77 T CB -0.508 68.412 68.868 0.086 0.000 0.976 77 T HN 0.304 nan 8.240 nan 0.000 0.535 78 K N 0.308 120.661 120.400 -0.078 0.000 3.069 78 K HA -0.173 4.146 4.320 -0.002 0.000 0.267 78 K C -0.214 176.293 176.600 -0.154 0.000 1.082 78 K CA 0.714 56.862 56.287 -0.231 0.000 0.782 78 K CB -1.557 30.584 32.500 -0.598 0.000 1.230 78 K HN 0.553 nan 8.250 nan 0.000 0.488 79 R N -0.471 120.019 120.500 -0.016 0.000 2.566 79 R HA 0.628 4.967 4.340 -0.002 0.000 0.271 79 R C -1.649 174.676 176.300 0.042 0.000 1.071 79 R CA -0.954 55.170 56.100 0.040 0.000 0.915 79 R CB 2.588 32.925 30.300 0.061 0.000 1.228 79 R HN -0.029 nan 8.270 nan 0.000 0.449 80 V N 3.545 123.502 119.914 0.072 0.000 2.752 80 V HA 0.426 4.544 4.120 -0.002 0.000 0.302 80 V C -1.543 174.629 176.094 0.130 0.000 1.133 80 V CA -0.686 61.673 62.300 0.098 0.000 0.919 80 V CB 2.001 33.844 31.823 0.033 0.000 1.026 80 V HN 0.759 nan 8.190 nan 0.000 0.429 81 K N 6.121 126.577 120.400 0.093 0.000 2.221 81 K HA 0.776 5.094 4.320 -0.002 0.000 0.258 81 K C -1.650 174.988 176.600 0.064 0.000 0.944 81 K CA -0.660 55.623 56.287 -0.007 0.000 0.823 81 K CB 2.085 34.550 32.500 -0.058 0.000 1.113 81 K HN 0.739 nan 8.250 nan 0.000 0.431 82 Y N -1.300 118.967 120.300 -0.055 0.000 2.470 82 Y HA 0.616 5.165 4.550 -0.002 0.000 0.341 82 Y C -1.301 174.496 175.900 -0.172 0.000 1.021 82 Y CA -1.420 56.607 58.100 -0.122 0.000 1.025 82 Y CB 1.584 39.887 38.460 -0.261 0.000 1.266 82 Y HN 0.330 nan 8.280 nan 0.000 0.448 83 V N 4.520 124.420 119.914 -0.023 0.000 2.628 83 V HA 0.571 4.690 4.120 -0.002 0.000 0.306 83 V C -1.325 174.806 176.094 0.062 0.000 1.045 83 V CA -1.109 61.184 62.300 -0.011 0.000 0.905 83 V CB 1.440 33.270 31.823 0.012 0.000 0.997 83 V HN 0.726 nan 8.190 nan 0.000 0.436 84 F N 6.023 126.118 119.950 0.242 0.000 2.404 84 F HA 0.491 5.017 4.527 -0.002 0.000 0.345 84 F C 0.014 175.966 175.800 0.253 0.000 1.110 84 F CA -0.466 57.680 58.000 0.244 0.000 1.130 84 F CB 1.621 40.792 39.000 0.284 0.000 1.129 84 F HN 0.322 nan 8.300 nan 0.000 0.500 85 L N 5.955 127.377 121.223 0.331 0.000 2.270 85 L HA 0.414 4.752 4.340 -0.002 0.000 0.286 85 L C -0.803 176.095 176.870 0.046 0.000 1.059 85 L CA -0.253 54.633 54.840 0.076 0.000 0.839 85 L CB -0.130 41.917 42.059 -0.020 0.000 1.221 85 L HN 0.459 nan 8.230 nan 0.000 0.431 86 L N 4.480 125.725 121.223 0.036 0.000 2.397 86 L HA 0.405 4.743 4.340 -0.002 0.000 0.271 86 L C 0.274 177.093 176.870 -0.085 0.000 1.148 86 L CA -0.014 54.811 54.840 -0.025 0.000 0.825 86 L CB 0.857 42.927 42.059 0.018 0.000 1.117 86 L HN 0.554 nan 8.230 nan 0.000 0.456 87 T N 1.956 116.446 114.554 -0.106 0.000 2.840 87 T HA 0.525 4.874 4.350 -0.002 0.000 0.287 87 T C 0.211 174.862 174.700 -0.082 0.000 0.991 87 T CA -0.528 61.518 62.100 -0.090 0.000 0.964 87 T CB 1.727 70.549 68.868 -0.077 0.000 0.954 87 T HN 0.772 nan 8.240 nan 0.000 0.438 88 G N 2.703 111.465 108.800 -0.064 0.000 2.642 88 G HA2 0.561 4.520 3.960 -0.002 0.000 0.291 88 G HA3 0.561 4.520 3.960 -0.002 0.000 0.291 88 G C -1.857 173.022 174.900 -0.035 0.000 1.345 88 G CA -1.563 43.505 45.100 -0.052 0.000 1.043 88 G HN 0.390 nan 8.290 nan 0.000 0.528 89 P HA -0.023 nan 4.420 nan 0.000 0.214 89 P C 1.590 178.880 177.300 -0.017 0.000 1.162 89 P CA 1.169 64.259 63.100 -0.016 0.000 0.874 89 P CB 0.181 31.872 31.700 -0.015 0.000 0.784 90 Q N -1.422 118.366 119.800 -0.021 0.000 2.364 90 Q HA 0.101 4.440 4.340 -0.002 0.000 0.207 90 Q C 1.188 177.177 176.000 -0.019 0.000 0.970 90 Q CA 1.097 56.889 55.803 -0.018 0.000 0.888 90 Q CB -0.386 28.340 28.738 -0.020 0.000 0.951 90 Q HN 0.324 nan 8.270 nan 0.000 0.469 91 G N 0.780 109.566 108.800 -0.024 0.000 2.175 91 G HA2 -0.193 3.765 3.960 -0.002 0.000 0.182 91 G HA3 -0.193 3.765 3.960 -0.002 0.000 0.182 91 G C -0.682 174.199 174.900 -0.032 0.000 1.003 91 G CA -0.508 44.576 45.100 -0.026 0.000 0.666 91 G HN 0.283 nan 8.290 nan 0.000 0.506 92 E N 1.058 121.236 120.200 -0.036 0.000 2.383 92 E HA 0.493 4.841 4.350 -0.002 0.000 0.257 92 E C 0.717 177.285 176.600 -0.054 0.000 1.079 92 E CA 0.716 57.093 56.400 -0.038 0.000 0.934 92 E CB 0.900 30.576 29.700 -0.040 0.000 0.978 92 E HN 0.760 nan 8.360 nan 0.000 0.462 93 A N 3.995 126.777 122.820 -0.063 0.000 2.410 93 A HA 0.284 4.603 4.320 -0.002 0.000 0.292 93 A C -0.168 177.342 177.584 -0.123 0.000 1.232 93 A CA -0.548 51.418 52.037 -0.118 0.000 0.893 93 A CB 0.161 19.076 19.000 -0.142 0.000 1.131 93 A HN 0.424 nan 8.150 nan 0.000 0.530 94 V N 3.548 123.403 119.914 -0.099 0.000 2.472 94 V HA 0.282 4.401 4.120 -0.002 0.000 0.290 94 V C -0.641 175.450 176.094 -0.004 0.000 1.037 94 V CA -0.394 61.913 62.300 0.012 0.000 0.908 94 V CB 1.177 33.055 31.823 0.092 0.000 0.985 94 V HN 0.753 nan 8.190 nan 0.000 0.454 95 Y N 3.869 124.290 120.300 0.202 0.000 2.328 95 Y HA 0.476 5.025 4.550 -0.002 0.000 0.337 95 Y C -0.176 175.894 175.900 0.284 0.000 1.008 95 Y CA -0.205 58.021 58.100 0.210 0.000 1.129 95 Y CB 1.511 40.047 38.460 0.127 0.000 1.185 95 Y HN 0.619 nan 8.280 nan 0.000 0.476 96 F N 2.556 122.661 119.950 0.259 0.000 2.450 96 F HA 0.837 5.363 4.527 -0.002 0.000 0.332 96 F C 0.161 176.003 175.800 0.069 0.000 1.093 96 F CA -0.412 57.606 58.000 0.030 0.000 1.003 96 F CB 1.246 40.329 39.000 0.138 0.000 1.151 96 F HN 0.603 nan 8.300 nan 0.000 0.474 97 G N 3.584 112.133 108.800 -0.418 0.000 2.495 97 G HA2 0.074 4.032 3.960 -0.002 0.000 0.294 97 G HA3 0.074 4.032 3.960 -0.002 0.000 0.294 97 G C -0.389 173.713 174.900 -1.330 0.000 1.397 97 G CA -0.429 44.098 45.100 -0.955 0.000 0.790 97 G HN 0.699 nan 8.290 nan 0.000 0.486 98 E N -0.893 118.306 120.200 -1.669 0.000 2.130 98 E HA -0.158 4.191 4.350 -0.002 0.000 0.196 98 E C 2.189 178.484 176.600 -0.509 0.000 0.998 98 E CA 2.191 57.927 56.400 -1.107 0.000 0.806 98 E CB -0.035 29.182 29.700 -0.805 0.000 0.738 98 E HN 0.451 nan 8.360 nan 0.000 0.459 99 T N -0.646 113.668 114.554 -0.400 0.000 2.821 99 T HA 0.125 4.474 4.350 -0.002 0.000 0.267 99 T C 0.833 175.448 174.700 -0.142 0.000 1.046 99 T CA 0.890 62.863 62.100 -0.212 0.000 1.139 99 T CB 0.201 68.975 68.868 -0.157 0.000 0.871 99 T HN 0.472 nan 8.240 nan 0.000 0.454 100 G N 0.002 108.701 108.800 -0.169 0.000 2.491 100 G HA2 0.364 4.322 3.960 -0.002 0.000 0.183 100 G HA3 0.364 4.322 3.960 -0.002 0.000 0.183 100 G C -1.908 172.905 174.900 -0.146 0.000 1.221 100 G CA -1.066 43.985 45.100 -0.082 0.000 0.996 100 G HN 0.169 nan 8.290 nan 0.000 0.474 101 F N 1.036 121.083 119.950 0.161 0.000 2.508 101 F HA 0.847 5.373 4.527 -0.002 0.000 0.325 101 F C 0.608 176.479 175.800 0.119 0.000 1.090 101 F CA -0.116 57.984 58.000 0.167 0.000 0.945 101 F CB 2.495 41.550 39.000 0.091 0.000 1.156 101 F HN 0.654 nan 8.300 nan 0.000 0.463 102 S N 0.840 116.732 115.700 0.320 0.000 2.588 102 S HA 0.708 5.177 4.470 -0.002 0.000 0.269 102 S C 0.035 174.786 174.600 0.252 0.000 1.157 102 S CA -0.008 58.328 58.200 0.227 0.000 0.824 102 S CB 1.407 64.704 63.200 0.161 0.000 1.126 102 S HN 0.800 nan 8.310 nan 0.000 0.464 103 A N 1.212 124.146 122.820 0.190 0.000 2.123 103 A HA 0.337 4.656 4.320 -0.002 0.000 0.214 103 A C 0.464 178.230 177.584 0.304 0.000 1.152 103 A CA 0.454 52.607 52.037 0.193 0.000 0.728 103 A CB -0.383 18.682 19.000 0.108 0.000 0.814 103 A HN 0.785 nan 8.150 nan 0.000 0.464 104 E N -0.590 119.751 120.200 0.235 0.000 2.216 104 E HA 0.361 4.710 4.350 -0.002 0.000 0.279 104 E C 0.628 177.247 176.600 0.032 0.000 0.997 104 E CA -0.637 55.865 56.400 0.169 0.000 0.817 104 E CB 1.490 31.228 29.700 0.063 0.000 1.096 104 E HN 0.337 nan 8.360 nan 0.000 0.393 105 R N 1.692 121.990 120.500 -0.337 0.000 2.103 105 R HA -0.202 4.137 4.340 -0.002 0.000 0.234 105 R C 2.156 178.248 176.300 -0.347 0.000 1.132 105 R CA 2.366 57.939 56.100 -0.879 0.000 0.925 105 R CB -0.304 29.400 30.300 -0.992 0.000 0.842 105 R HN 0.649 nan 8.270 nan 0.000 0.430 106 S N 0.198 115.766 115.700 -0.221 0.000 2.440 106 S HA -0.110 4.358 4.470 -0.002 0.000 0.238 106 S C 1.422 175.963 174.600 -0.099 0.000 1.010 106 S CA 1.184 59.300 58.200 -0.142 0.000 0.972 106 S CB -0.118 63.023 63.200 -0.099 0.000 0.774 106 S HN 0.365 nan 8.310 nan 0.000 0.501 107 K N 0.634 120.997 120.400 -0.063 0.000 2.444 107 K HA 0.349 4.668 4.320 -0.002 0.000 0.193 107 K C 1.747 178.332 176.600 -0.026 0.000 1.024 107 K CA 0.508 56.778 56.287 -0.028 0.000 1.077 107 K CB 0.021 32.527 32.500 0.009 0.000 0.833 107 K HN 0.522 nan 8.250 nan 0.000 0.517 108 A N 1.188 123.977 122.820 -0.051 0.000 2.063 108 A HA 0.312 4.630 4.320 -0.002 0.000 0.211 108 A C 1.072 178.549 177.584 -0.179 0.000 1.177 108 A CA 0.785 52.786 52.037 -0.061 0.000 0.759 108 A CB -0.049 18.955 19.000 0.005 0.000 0.857 108 A HN 0.354 nan 8.150 nan 0.000 0.468 109 G N -1.624 107.069 108.800 -0.180 0.000 2.642 109 G HA2 0.065 4.023 3.960 -0.002 0.000 0.231 109 G HA3 0.065 4.023 3.960 -0.002 0.000 0.231 109 G C -0.266 174.469 174.900 -0.275 0.000 1.338 109 G CA -0.009 44.954 45.100 -0.229 0.000 0.883 109 G HN 1.545 nan 8.290 nan 0.000 0.570 110 V N -0.227 119.487 119.914 -0.333 0.000 2.851 110 V HA 0.694 4.813 4.120 -0.002 0.000 0.307 110 V C -0.459 175.365 176.094 -0.451 0.000 1.129 110 V CA -0.971 61.132 62.300 -0.329 0.000 0.932 110 V CB 1.610 33.306 31.823 -0.210 0.000 1.024 110 V HN 0.942 nan 8.190 nan 0.000 0.426 111 F N 3.734 123.347 119.950 -0.561 0.000 2.382 111 F HA 0.543 5.069 4.527 -0.002 0.000 0.331 111 F C 0.723 176.148 175.800 -0.626 0.000 1.121 111 F CA 0.156 57.773 58.000 -0.638 0.000 1.183 111 F CB 1.212 39.642 39.000 -0.950 0.000 1.207 111 F HN 0.405 nan 8.300 nan 0.000 0.555 112 Q N 1.923 121.639 119.800 -0.139 0.000 2.356 112 Q HA 0.252 4.591 4.340 -0.002 0.000 0.270 112 Q C -1.812 174.240 176.000 0.086 0.000 1.058 112 Q CA -0.939 54.818 55.803 -0.077 0.000 0.802 112 Q CB 2.829 31.522 28.738 -0.075 0.000 1.303 112 Q HN 0.575 nan 8.270 nan 0.000 0.444 113 Y N 1.047 121.361 120.300 0.024 0.000 2.478 113 Y HA 0.378 4.926 4.550 -0.002 0.000 0.329 113 Y C 0.634 176.540 175.900 0.010 0.000 0.967 113 Y CA -0.243 57.891 58.100 0.057 0.000 1.255 113 Y CB 0.820 39.345 38.460 0.109 0.000 1.103 113 Y HN 0.902 nan 8.280 nan 0.000 0.497 114 A N 5.221 127.988 122.820 -0.088 0.000 1.859 114 A HA -0.146 4.173 4.320 -0.002 0.000 0.217 114 A C -0.295 177.315 177.584 0.043 0.000 1.198 114 A CA 1.885 53.886 52.037 -0.059 0.000 0.629 114 A CB -0.446 18.502 19.000 -0.087 0.000 0.830 114 A HN 0.754 nan 8.150 nan 0.000 0.446 115 Y N -2.589 117.619 120.300 -0.152 0.000 2.558 115 Y HA 0.566 5.115 4.550 -0.002 0.000 0.333 115 Y C -1.408 174.366 175.900 -0.211 0.000 1.125 115 Y CA -1.159 56.848 58.100 -0.155 0.000 1.039 115 Y CB 1.157 39.492 38.460 -0.208 0.000 1.331 115 Y HN 0.137 nan 8.280 nan 0.000 0.456 116 I N 4.723 124.906 120.570 -0.646 0.000 2.441 116 I HA 0.392 4.560 4.170 -0.002 0.000 0.295 116 I C -1.143 174.656 176.117 -0.530 0.000 0.994 116 I CA -0.581 60.529 61.300 -0.316 0.000 1.144 116 I CB 1.642 39.535 38.000 -0.178 0.000 1.314 116 I HN 0.655 nan 8.210 nan 0.000 0.445 117 H N 4.563 123.631 119.070 -0.002 0.000 2.600 117 H HA 0.424 4.979 4.556 -0.002 0.000 0.357 117 H C 0.468 175.822 175.328 0.044 0.000 1.106 117 H CA -0.827 55.252 56.048 0.052 0.000 1.193 117 H CB 1.751 31.586 29.762 0.121 0.000 1.594 117 H HN 0.357 nan 8.280 nan 0.000 0.526 118 R N 0.943 121.530 120.500 0.146 0.000 2.165 118 R HA -0.198 4.140 4.340 -0.002 0.000 0.254 118 R C 1.824 178.190 176.300 0.111 0.000 1.153 118 R CA 2.018 58.182 56.100 0.108 0.000 0.971 118 R CB -0.797 29.560 30.300 0.097 0.000 0.878 118 R HN 0.723 nan 8.270 nan 0.000 0.449 119 S N 0.250 116.028 115.700 0.131 0.000 2.474 119 S HA -0.072 4.397 4.470 -0.002 0.000 0.235 119 S C 1.253 175.897 174.600 0.073 0.000 0.997 119 S CA 0.913 59.158 58.200 0.076 0.000 0.949 119 S CB 0.017 63.234 63.200 0.028 0.000 0.766 119 S HN 0.441 nan 8.310 nan 0.000 0.517 120 E N 0.322 120.602 120.200 0.132 0.000 2.526 120 E HA 0.253 4.601 4.350 -0.002 0.000 0.208 120 E C -0.458 176.228 176.600 0.143 0.000 0.997 120 E CA -0.147 56.332 56.400 0.132 0.000 0.961 120 E CB 1.145 30.964 29.700 0.197 0.000 1.030 120 E HN 0.340 nan 8.360 nan 0.000 0.483 121 V N 2.409 122.400 119.914 0.128 0.000 2.405 121 V HA 0.076 4.194 4.120 -0.002 0.000 0.264 121 V C -0.361 175.832 176.094 0.165 0.000 1.048 121 V CA -0.433 61.948 62.300 0.135 0.000 0.966 121 V CB -0.258 31.620 31.823 0.092 0.000 1.015 121 V HN 0.046 nan 8.190 nan 0.000 0.477 122 F N 6.566 126.513 119.950 -0.005 0.000 2.571 122 F HA 0.287 4.812 4.527 -0.002 0.000 0.390 122 F C 0.683 176.453 175.800 -0.050 0.000 1.043 122 F CA 0.292 58.266 58.000 -0.044 0.000 1.164 122 F CB 0.046 38.983 39.000 -0.104 0.000 1.049 122 F HN 0.581 nan 8.300 nan 0.000 0.552 123 T N 4.473 119.234 114.554 0.346 0.000 2.855 123 T HA 0.620 4.969 4.350 -0.002 0.000 0.281 123 T C -0.187 174.626 174.700 0.189 0.000 1.007 123 T CA -0.695 61.510 62.100 0.176 0.000 1.009 123 T CB 1.562 70.482 68.868 0.087 0.000 0.983 123 T HN 0.656 nan 8.240 nan 0.000 0.455 124 T N 0.033 114.618 114.554 0.052 0.000 2.900 124 T HA 0.614 4.962 4.350 -0.002 0.000 0.295 124 T C -3.144 171.499 174.700 -0.094 0.000 1.044 124 T CA -2.401 59.686 62.100 -0.021 0.000 0.995 124 T CB 1.196 69.993 68.868 -0.118 0.000 1.072 124 T HN 0.151 nan 8.240 nan 0.000 0.473 125 P HA 0.213 nan 4.420 nan 0.000 0.263 125 P C 0.569 177.680 177.300 -0.316 0.000 1.195 125 P CA 0.019 62.986 63.100 -0.221 0.000 0.762 125 P CB 0.661 32.116 31.700 -0.409 0.000 0.799 126 E N 4.173 124.303 120.200 -0.117 0.000 2.107 126 E HA -0.139 4.210 4.350 -0.002 0.000 0.191 126 E C 1.430 178.000 176.600 -0.050 0.000 0.982 126 E CA 1.175 57.533 56.400 -0.070 0.000 0.809 126 E CB -0.449 29.264 29.700 0.022 0.000 0.756 126 E HN 0.588 nan 8.360 nan 0.000 0.459 127 W N 0.337 121.627 121.300 -0.016 0.000 2.321 127 W HA -0.152 4.507 4.660 -0.002 0.000 0.306 127 W C 1.783 178.303 176.519 0.002 0.000 1.217 127 W CA 1.193 58.527 57.345 -0.018 0.000 1.257 127 W CB -1.320 28.121 29.460 -0.031 0.000 1.145 127 W HN 0.142 nan 8.180 nan 0.000 0.509 128 A N 1.935 124.269 122.820 -0.811 0.000 1.940 128 A HA -0.218 4.101 4.320 -0.002 0.000 0.219 128 A C 2.068 179.492 177.584 -0.266 0.000 1.176 128 A CA 2.275 53.864 52.037 -0.746 0.000 0.631 128 A CB -0.846 17.602 19.000 -0.919 0.000 0.814 128 A HN 0.412 nan 8.150 nan 0.000 0.446 129 K N 0.164 120.432 120.400 -0.220 0.000 2.360 129 K HA -0.143 4.175 4.320 -0.002 0.000 0.201 129 K C 1.293 177.866 176.600 -0.045 0.000 1.046 129 K CA 1.388 57.598 56.287 -0.128 0.000 0.945 129 K CB -0.050 32.377 32.500 -0.122 0.000 0.750 129 K HN 0.860 nan 8.250 nan 0.000 0.464 130 E N 0.063 120.281 120.200 0.030 0.000 2.498 130 E HA 0.201 4.550 4.350 -0.002 0.000 0.203 130 E C 0.012 176.722 176.600 0.184 0.000 1.013 130 E CA -0.319 56.147 56.400 0.110 0.000 0.927 130 E CB 0.477 30.272 29.700 0.158 0.000 1.012 130 E HN 0.095 nan 8.360 nan 0.000 0.482 131 A N 1.234 124.149 122.820 0.158 0.000 2.386 131 A HA 0.390 4.709 4.320 -0.002 0.000 0.248 131 A C -0.007 177.653 177.584 0.128 0.000 1.082 131 A CA -0.345 51.828 52.037 0.227 0.000 0.789 131 A CB 0.889 20.058 19.000 0.282 0.000 1.025 131 A HN 0.110 nan 8.150 nan 0.000 0.490 132 V N 4.224 124.212 119.914 0.123 0.000 2.349 132 V HA 0.251 4.370 4.120 -0.002 0.000 0.284 132 V C -0.489 175.616 176.094 0.018 0.000 1.014 132 V CA -0.497 61.820 62.300 0.029 0.000 0.826 132 V CB 0.907 32.739 31.823 0.015 0.000 1.009 132 V HN 0.657 nan 8.190 nan 0.000 0.431 133 I N 4.264 124.787 120.570 -0.077 0.000 2.440 133 I HA 0.353 4.522 4.170 -0.002 0.000 0.294 133 I C -0.401 175.679 176.117 -0.062 0.000 0.995 133 I CA -0.705 60.525 61.300 -0.118 0.000 1.306 133 I CB 1.032 38.783 38.000 -0.414 0.000 1.407 133 I HN 0.584 nan 8.210 nan 0.000 0.501 134 Y N 4.450 124.656 120.300 -0.155 0.000 2.331 134 Y HA 0.297 4.846 4.550 -0.002 0.000 0.338 134 Y C 0.480 176.273 175.900 -0.179 0.000 0.976 134 Y CA -0.604 57.410 58.100 -0.142 0.000 1.137 134 Y CB 1.225 39.580 38.460 -0.176 0.000 1.172 134 Y HN 0.601 nan 8.280 nan 0.000 0.478 135 Q N 6.055 125.747 119.800 -0.181 0.000 2.307 135 Q HA 0.408 4.746 4.340 -0.002 0.000 0.259 135 Q C -1.521 174.444 176.000 -0.059 0.000 0.998 135 Q CA -0.012 55.729 55.803 -0.103 0.000 0.923 135 Q CB 0.371 29.213 28.738 0.173 0.000 1.196 135 Q HN 0.761 nan 8.270 nan 0.000 0.416 136 I N 4.385 124.813 120.570 -0.236 0.000 2.412 136 I HA 0.280 4.449 4.170 -0.002 0.000 0.296 136 I C -0.747 175.332 176.117 -0.063 0.000 0.987 136 I CA -0.838 60.355 61.300 -0.178 0.000 1.180 136 I CB 1.212 38.929 38.000 -0.471 0.000 1.340 136 I HN 0.662 nan 8.210 nan 0.000 0.455 137 F N 8.680 128.523 119.950 -0.178 0.000 2.303 137 F HA 0.442 4.967 4.527 -0.002 0.000 0.368 137 F C -1.928 173.752 175.800 -0.200 0.000 1.105 137 F CA -2.039 55.887 58.000 -0.124 0.000 1.153 137 F CB 0.961 40.038 39.000 0.127 0.000 1.362 137 F HN 0.325 nan 8.300 nan 0.000 0.511 138 P HA -0.261 nan 4.420 nan 0.000 0.216 138 P C 1.447 178.619 177.300 -0.213 0.000 1.157 138 P CA 1.401 64.280 63.100 -0.368 0.000 0.880 138 P CB 0.124 31.367 31.700 -0.761 0.000 0.791 139 E N -0.764 119.258 120.200 -0.297 0.000 2.301 139 E HA -0.244 4.105 4.350 -0.002 0.000 0.202 139 E C 1.220 177.935 176.600 0.192 0.000 1.017 139 E CA 1.096 57.538 56.400 0.070 0.000 0.831 139 E CB 0.058 29.706 29.700 -0.085 0.000 0.742 139 E HN 0.147 nan 8.360 nan 0.000 0.491 140 R N -1.774 118.810 120.500 0.141 0.000 2.487 140 R HA 0.097 4.435 4.340 -0.002 0.000 0.272 140 R C 1.732 178.220 176.300 0.312 0.000 0.928 140 R CA -0.244 56.065 56.100 0.349 0.000 1.077 140 R CB -0.771 29.735 30.300 0.344 0.000 1.265 140 R HN 0.157 nan 8.270 nan 0.000 0.537 141 F N 1.664 121.581 119.950 -0.055 0.000 2.046 141 F HA -0.067 4.458 4.527 -0.002 0.000 0.297 141 F C 0.827 176.876 175.800 0.415 0.000 1.123 141 F CA 1.480 59.511 58.000 0.052 0.000 1.199 141 F CB 0.302 39.295 39.000 -0.012 0.000 0.972 141 F HN 0.048 nan 8.300 nan 0.000 0.474 142 A N -0.817 122.051 122.820 0.079 0.000 2.586 142 A HA 0.379 4.698 4.320 -0.002 0.000 0.290 142 A C -1.563 175.773 177.584 -0.413 0.000 1.086 142 A CA -0.726 51.151 52.037 -0.266 0.000 0.665 142 A CB 0.549 19.345 19.000 -0.340 0.000 1.279 142 A HN 0.159 nan 8.150 nan 0.000 0.423 143 N N 0.012 118.364 118.700 -0.580 0.000 2.408 143 N HA 0.456 5.195 4.740 -0.002 0.000 0.280 143 N C 0.856 176.226 175.510 -0.233 0.000 1.002 143 N CA 0.471 53.343 53.050 -0.297 0.000 0.907 143 N CB 1.903 40.265 38.487 -0.208 0.000 1.161 143 N HN 0.790 nan 8.380 nan 0.000 0.488 144 G N 2.143 110.860 108.800 -0.138 0.000 2.499 144 G HA2 -0.065 3.893 3.960 -0.002 0.000 0.213 144 G HA3 -0.065 3.893 3.960 -0.002 0.000 0.213 144 G C -0.421 174.422 174.900 -0.095 0.000 1.230 144 G CA 0.550 45.581 45.100 -0.115 0.000 0.813 144 G HN 0.606 nan 8.290 nan 0.000 0.542 145 D N -0.827 119.535 120.400 -0.063 0.000 2.602 145 D HA 0.353 4.991 4.640 -0.002 0.000 0.245 145 D C -1.864 174.413 176.300 -0.038 0.000 1.325 145 D CA -1.462 52.509 54.000 -0.048 0.000 0.952 145 D CB 2.665 43.444 40.800 -0.036 0.000 1.317 145 D HN -0.075 nan 8.370 nan 0.000 0.577 146 P HA -0.126 nan 4.420 nan 0.000 0.229 146 P C 0.935 178.219 177.300 -0.027 0.000 1.150 146 P CA 0.554 63.639 63.100 -0.024 0.000 0.765 146 P CB 0.067 31.759 31.700 -0.014 0.000 0.783 147 S N 0.452 116.135 115.700 -0.028 0.000 2.537 147 S HA -0.183 4.285 4.470 -0.002 0.000 0.240 147 S C 1.620 176.195 174.600 -0.041 0.000 0.981 147 S CA 1.121 59.303 58.200 -0.030 0.000 0.948 147 S CB -1.497 61.689 63.200 -0.023 0.000 0.759 147 S HN 0.333 nan 8.310 nan 0.000 0.531 148 N N 1.475 120.148 118.700 -0.046 0.000 2.270 148 N HA -0.030 4.708 4.740 -0.002 0.000 0.181 148 N C -0.188 175.255 175.510 -0.112 0.000 1.016 148 N CA 0.749 53.757 53.050 -0.071 0.000 0.870 148 N CB -0.655 37.800 38.487 -0.055 0.000 0.979 148 N HN 0.300 nan 8.380 nan 0.000 0.431 149 D N 0.658 121.006 120.400 -0.086 0.000 2.362 149 D HA 0.164 4.803 4.640 -0.002 0.000 0.238 149 D C -2.267 173.933 176.300 -0.167 0.000 1.212 149 D CA -0.394 53.543 54.000 -0.106 0.000 0.902 149 D CB 0.479 41.254 40.800 -0.042 0.000 1.180 149 D HN 0.313 nan 8.370 nan 0.000 0.445 150 P HA 0.336 nan 4.420 nan 0.000 0.292 150 P C -2.733 174.487 177.300 -0.133 0.000 1.449 150 P CA -1.816 61.118 63.100 -0.276 0.000 1.086 150 P CB 1.285 32.584 31.700 -0.668 0.000 1.037 151 P HA 0.233 nan 4.420 nan 0.000 0.255 151 P C 0.903 178.224 177.300 0.035 0.000 1.161 151 P CA 1.064 64.159 63.100 -0.009 0.000 0.768 151 P CB -0.195 31.500 31.700 -0.007 0.000 0.746 152 G N 1.093 109.926 108.800 0.055 0.000 3.771 152 G HA2 -0.074 3.884 3.960 -0.002 0.000 0.221 152 G HA3 -0.074 3.884 3.960 -0.002 0.000 0.221 152 G C 0.174 175.117 174.900 0.072 0.000 0.897 152 G CA -0.421 44.725 45.100 0.077 0.000 1.034 152 G HN 0.486 nan 8.290 nan 0.000 0.720 153 T N 1.447 116.040 114.554 0.065 0.000 2.868 153 T HA 0.541 4.890 4.350 -0.002 0.000 0.292 153 T C 0.216 174.896 174.700 -0.033 0.000 1.028 153 T CA 0.098 62.243 62.100 0.074 0.000 1.059 153 T CB 1.691 70.621 68.868 0.103 0.000 0.991 153 T HN 0.311 nan 8.240 nan 0.000 0.531 154 E N 0.498 120.583 120.200 -0.192 0.000 2.316 154 E HA 0.291 4.640 4.350 -0.002 0.000 0.258 154 E C -0.314 176.184 176.600 -0.170 0.000 0.952 154 E CA -0.932 55.295 56.400 -0.288 0.000 0.818 154 E CB 1.224 30.625 29.700 -0.497 0.000 1.260 154 E HN 0.492 nan 8.360 nan 0.000 0.416 155 Q N 0.549 120.307 119.800 -0.071 0.000 2.392 155 Q HA -0.014 4.324 4.340 -0.002 0.000 0.262 155 Q C -0.672 175.455 176.000 0.212 0.000 1.003 155 Q CA 0.190 56.050 55.803 0.095 0.000 0.888 155 Q CB 0.690 29.465 28.738 0.062 0.000 1.260 155 Q HN 0.465 nan 8.270 nan 0.000 0.435 156 W N 2.772 124.181 121.300 0.182 0.000 1.611 156 W HA 0.427 5.086 4.660 -0.002 0.000 0.395 156 W C -1.025 175.573 176.519 0.132 0.000 0.698 156 W CA -0.113 57.348 57.345 0.195 0.000 1.845 156 W CB -0.135 29.415 29.460 0.150 0.000 1.818 156 W HN 0.519 nan 8.180 nan 0.000 0.270 157 A N 2.034 124.879 122.820 0.042 0.000 2.527 157 A HA 0.370 4.689 4.320 -0.002 0.000 0.293 157 A C 1.035 178.593 177.584 -0.043 0.000 1.117 157 A CA -0.578 51.481 52.037 0.038 0.000 0.723 157 A CB 1.574 20.606 19.000 0.053 0.000 1.313 157 A HN 0.227 nan 8.150 nan 0.000 0.411 158 K N 0.584 120.962 120.400 -0.037 0.000 2.127 158 K HA -0.261 4.058 4.320 -0.002 0.000 0.212 158 K C 0.825 177.394 176.600 -0.051 0.000 1.050 158 K CA 3.064 59.313 56.287 -0.062 0.000 0.929 158 K CB -0.350 32.124 32.500 -0.043 0.000 0.715 158 K HN 0.730 nan 8.250 nan 0.000 0.457 159 D N 0.320 120.706 120.400 -0.024 0.000 2.182 159 D HA -0.087 4.552 4.640 -0.002 0.000 0.201 159 D C 0.291 176.589 176.300 -0.002 0.000 0.986 159 D CA 1.428 55.420 54.000 -0.013 0.000 0.847 159 D CB -0.466 40.333 40.800 -0.001 0.000 0.942 159 D HN 0.417 nan 8.370 nan 0.000 0.467 160 A N 1.181 124.009 122.820 0.014 0.000 2.451 160 A HA 0.219 4.537 4.320 -0.002 0.000 0.266 160 A C 0.231 177.871 177.584 0.094 0.000 1.119 160 A CA -0.145 51.939 52.037 0.079 0.000 0.786 160 A CB 0.218 19.343 19.000 0.207 0.000 1.061 160 A HN -0.104 nan 8.150 nan 0.000 0.503 161 R N 3.945 124.492 120.500 0.078 0.000 2.215 161 R HA 0.328 4.666 4.340 -0.002 0.000 0.336 161 R C -2.690 173.674 176.300 0.106 0.000 0.996 161 R CA -2.122 54.011 56.100 0.055 0.000 0.847 161 R CB 0.873 31.181 30.300 0.012 0.000 1.127 161 R HN 0.561 nan 8.270 nan 0.000 0.465 162 P HA 0.056 nan 4.420 nan 0.000 0.263 162 P C -0.394 176.933 177.300 0.045 0.000 1.195 162 P CA 0.112 63.338 63.100 0.210 0.000 0.762 162 P CB 0.730 32.534 31.700 0.173 0.000 0.799 163 R N 1.656 122.162 120.500 0.010 0.000 2.553 163 R HA 0.304 4.642 4.340 -0.002 0.000 0.263 163 R C 1.501 177.751 176.300 -0.083 0.000 1.066 163 R CA -0.674 55.385 56.100 -0.068 0.000 1.135 163 R CB 0.062 30.336 30.300 -0.044 0.000 1.148 163 R HN 0.499 nan 8.270 nan 0.000 0.558 164 H N 0.185 119.234 119.070 -0.035 0.000 2.457 164 H HA -0.146 4.409 4.556 -0.002 0.000 0.297 164 H C 0.619 175.808 175.328 -0.232 0.000 1.092 164 H CA 1.706 57.703 56.048 -0.084 0.000 1.309 164 H CB 0.197 29.949 29.762 -0.018 0.000 1.382 164 H HN 0.627 nan 8.280 nan 0.000 0.535 165 D N -0.113 120.239 120.400 -0.081 0.000 2.149 165 D HA -0.083 4.555 4.640 -0.002 0.000 0.201 165 D C 1.194 177.268 176.300 -0.376 0.000 0.972 165 D CA 0.884 54.789 54.000 -0.158 0.000 0.835 165 D CB -0.023 40.740 40.800 -0.061 0.000 0.966 165 D HN 0.274 nan 8.370 nan 0.000 0.476 166 S N -0.389 115.143 115.700 -0.280 0.000 2.589 166 S HA 0.306 4.775 4.470 -0.002 0.000 0.265 166 S C -0.284 174.145 174.600 -0.286 0.000 1.342 166 S CA -0.543 57.540 58.200 -0.195 0.000 1.005 166 S CB 0.403 63.547 63.200 -0.093 0.000 0.909 166 S HN 0.045 nan 8.310 nan 0.000 0.555 167 F N 0.505 120.528 119.950 0.122 0.000 2.547 167 F HA 0.430 4.956 4.527 -0.002 0.000 0.316 167 F C -0.122 175.831 175.800 0.254 0.000 1.121 167 F CA -0.758 57.401 58.000 0.266 0.000 0.911 167 F CB 1.783 40.883 39.000 0.166 0.000 1.179 167 F HN 0.652 nan 8.300 nan 0.000 0.443 168 Y N 1.121 121.667 120.300 0.410 0.000 2.481 168 Y HA 0.380 4.929 4.550 -0.002 0.000 0.247 168 Y C 1.385 177.578 175.900 0.489 0.000 1.151 168 Y CA 0.404 58.756 58.100 0.420 0.000 1.238 168 Y CB 0.937 39.643 38.460 0.410 0.000 1.179 168 Y HN 0.863 nan 8.280 nan 0.000 0.524 169 G N -0.027 109.069 108.800 0.493 0.000 2.780 169 G HA2 -0.070 3.889 3.960 -0.002 0.000 0.237 169 G HA3 -0.070 3.889 3.960 -0.002 0.000 0.237 169 G C 0.501 175.515 174.900 0.191 0.000 1.965 169 G CA -0.271 44.982 45.100 0.255 0.000 1.577 169 G HN 0.891 nan 8.290 nan 0.000 0.543 170 G N 1.342 110.210 108.800 0.113 0.000 2.505 170 G HA2 0.413 4.372 3.960 -0.002 0.000 0.191 170 G HA3 0.413 4.372 3.960 -0.002 0.000 0.191 170 G C -0.265 174.751 174.900 0.193 0.000 0.542 170 G CA 1.416 46.591 45.100 0.125 0.000 0.917 170 G HN 2.396 nan 8.290 nan 0.000 0.336 171 D N 0.811 121.288 120.400 0.128 0.000 2.665 171 D HA 0.297 4.935 4.640 -0.002 0.000 0.287 171 D C 1.245 177.595 176.300 0.082 0.000 1.266 171 D CA -0.846 53.262 54.000 0.179 0.000 0.830 171 D CB 0.117 40.984 40.800 0.113 0.000 1.356 171 D HN 0.276 nan 8.370 nan 0.000 0.437 172 L N -0.000 121.252 121.223 0.049 0.000 2.141 172 L HA -0.025 4.313 4.340 -0.002 0.000 0.209 172 L C 2.512 179.401 176.870 0.032 0.000 1.094 172 L CA 0.982 55.824 54.840 0.003 0.000 0.763 172 L CB -0.411 41.627 42.059 -0.036 0.000 0.908 172 L HN 0.473 nan 8.230 nan 0.000 0.437 173 K N 0.774 121.185 120.400 0.018 0.000 2.148 173 K HA -0.113 4.206 4.320 -0.002 0.000 0.204 173 K C 2.097 178.683 176.600 -0.024 0.000 1.050 173 K CA 1.169 57.452 56.287 -0.007 0.000 0.942 173 K CB -0.198 32.289 32.500 -0.022 0.000 0.724 173 K HN 0.288 nan 8.250 nan 0.000 0.446 174 G N 0.737 109.521 108.800 -0.027 0.000 2.446 174 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.217 174 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.217 174 G C 1.453 176.369 174.900 0.028 0.000 1.168 174 G CA 1.058 46.116 45.100 -0.071 0.000 0.771 174 G HN 0.195 nan 8.290 nan 0.000 0.551 175 V N 1.460 121.474 119.914 0.167 0.000 2.392 175 V HA -0.195 3.923 4.120 -0.002 0.000 0.249 175 V C 2.790 178.936 176.094 0.086 0.000 1.059 175 V CA 1.586 64.018 62.300 0.219 0.000 1.051 175 V CB -0.464 31.482 31.823 0.205 0.000 0.658 175 V HN 0.420 nan 8.190 nan 0.000 0.455 176 I N 0.377 120.968 120.570 0.034 0.000 2.142 176 I HA -0.223 3.945 4.170 -0.002 0.000 0.240 176 I C 2.268 178.368 176.117 -0.027 0.000 1.078 176 I CA 1.816 63.113 61.300 -0.005 0.000 1.343 176 I CB -0.711 37.277 38.000 -0.020 0.000 1.046 176 I HN 0.355 nan 8.210 nan 0.000 0.405 177 D N 0.782 121.147 120.400 -0.058 0.000 2.263 177 D HA -0.129 4.510 4.640 -0.002 0.000 0.208 177 D C 2.065 178.288 176.300 -0.129 0.000 0.971 177 D CA 0.838 54.775 54.000 -0.106 0.000 0.867 177 D CB -0.213 40.489 40.800 -0.163 0.000 0.929 177 D HN 0.276 nan 8.370 nan 0.000 0.492 178 R N 0.426 120.871 120.500 -0.093 0.000 2.276 178 R HA 0.164 4.502 4.340 -0.002 0.000 0.196 178 R C 2.415 178.773 176.300 0.096 0.000 0.961 178 R CA -0.127 55.947 56.100 -0.044 0.000 1.024 178 R CB -0.522 29.823 30.300 0.076 0.000 0.940 178 R HN 0.294 nan 8.270 nan 0.000 0.480 179 L N 0.903 122.151 121.223 0.043 0.000 2.137 179 L HA -0.162 4.176 4.340 -0.002 0.000 0.213 179 L C -0.693 176.208 176.870 0.052 0.000 1.085 179 L CA 1.564 56.417 54.840 0.021 0.000 0.760 179 L CB -1.475 40.574 42.059 -0.016 0.000 0.893 179 L HN 0.057 nan 8.230 nan 0.000 0.434 180 P HA -0.157 nan 4.420 nan 0.000 0.233 180 P C 1.098 178.509 177.300 0.184 0.000 1.167 180 P CA 0.830 63.981 63.100 0.086 0.000 0.770 180 P CB 0.011 31.751 31.700 0.065 0.000 0.837 181 Y N 0.887 121.234 120.300 0.077 0.000 2.130 181 Y HA -0.138 4.411 4.550 -0.002 0.000 0.287 181 Y C 1.924 177.918 175.900 0.157 0.000 1.124 181 Y CA 1.379 59.580 58.100 0.168 0.000 1.118 181 Y CB -1.213 37.393 38.460 0.243 0.000 0.994 181 Y HN -0.232 nan 8.280 nan 0.000 0.497 182 L N 0.330 121.571 121.223 0.030 0.000 1.990 182 L HA -0.273 4.066 4.340 -0.002 0.000 0.213 182 L C 2.543 179.352 176.870 -0.103 0.000 1.072 182 L CA 2.208 56.932 54.840 -0.193 0.000 0.755 182 L CB -0.860 41.053 42.059 -0.242 0.000 0.889 182 L HN 0.280 nan 8.230 nan 0.000 0.432 183 E N -0.037 120.142 120.200 -0.035 0.000 2.267 183 E HA -0.276 4.073 4.350 -0.002 0.000 0.197 183 E C 2.073 178.671 176.600 -0.003 0.000 0.998 183 E CA 1.244 57.631 56.400 -0.021 0.000 0.830 183 E CB 0.123 29.820 29.700 -0.005 0.000 0.751 183 E HN 0.506 nan 8.360 nan 0.000 0.491 184 E N -0.129 120.093 120.200 0.035 0.000 2.102 184 E HA -0.120 4.229 4.350 -0.002 0.000 0.190 184 E C 2.192 178.771 176.600 -0.035 0.000 0.971 184 E CA 0.204 56.641 56.400 0.062 0.000 0.821 184 E CB 0.012 29.839 29.700 0.212 0.000 0.777 184 E HN 0.223 nan 8.360 nan 0.000 0.460 185 L N 0.430 121.607 121.223 -0.076 0.000 2.013 185 L HA -0.075 4.263 4.340 -0.002 0.000 0.212 185 L C 1.488 178.269 176.870 -0.148 0.000 1.073 185 L CA 2.742 57.448 54.840 -0.223 0.000 0.753 185 L CB -0.382 41.582 42.059 -0.158 0.000 0.890 185 L HN 0.366 nan 8.230 nan 0.000 0.432 186 G N -1.778 106.982 108.800 -0.067 0.000 2.155 186 G HA2 -0.114 3.844 3.960 -0.002 0.000 0.130 186 G HA3 -0.114 3.844 3.960 -0.002 0.000 0.130 186 G C 0.206 175.134 174.900 0.047 0.000 1.027 186 G CA 0.102 45.200 45.100 -0.004 0.000 0.705 186 G HN 0.861 nan 8.290 nan 0.000 0.496 187 V N -0.507 119.418 119.914 0.019 0.000 3.051 187 V HA 0.798 4.917 4.120 -0.002 0.000 0.306 187 V C 1.161 177.270 176.094 0.026 0.000 1.083 187 V CA 1.389 63.720 62.300 0.051 0.000 1.104 187 V CB 1.464 33.335 31.823 0.080 0.000 1.027 187 V HN 1.058 nan 8.190 nan 0.000 0.483 188 T N -0.650 113.933 114.554 0.050 0.000 3.043 188 T HA 0.753 5.102 4.350 -0.002 0.000 0.272 188 T C 0.234 174.924 174.700 -0.016 0.000 0.990 188 T CA 0.381 62.490 62.100 0.014 0.000 0.897 188 T CB 0.102 69.010 68.868 0.066 0.000 1.111 188 T HN 1.889 nan 8.240 nan 0.000 0.529 189 A N 0.415 123.237 122.820 0.004 0.000 2.599 189 A HA 0.803 5.121 4.320 -0.002 0.000 0.290 189 A C -2.415 175.139 177.584 -0.050 0.000 1.101 189 A CA -0.818 51.208 52.037 -0.018 0.000 0.674 189 A CB 1.255 20.333 19.000 0.131 0.000 1.277 189 A HN 0.276 nan 8.150 nan 0.000 0.419 190 L N 0.764 121.923 121.223 -0.106 0.000 2.436 190 L HA 0.670 5.009 4.340 -0.002 0.000 0.268 190 L C -1.478 175.254 176.870 -0.231 0.000 0.974 190 L CA -0.225 54.458 54.840 -0.262 0.000 0.826 190 L CB 2.052 43.816 42.059 -0.492 0.000 1.291 190 L HN 0.848 nan 8.230 nan 0.000 0.406 191 Y N 4.107 124.212 120.300 -0.325 0.000 2.331 191 Y HA 0.716 5.264 4.550 -0.002 0.000 0.334 191 Y C -1.843 173.942 175.900 -0.192 0.000 0.960 191 Y CA -1.386 56.595 58.100 -0.198 0.000 1.130 191 Y CB 1.033 39.443 38.460 -0.084 0.000 1.164 191 Y HN 0.376 nan 8.280 nan 0.000 0.458 192 F N 4.373 124.087 119.950 -0.393 0.000 2.420 192 F HA 0.404 4.930 4.527 -0.002 0.000 0.342 192 F C 1.225 176.727 175.800 -0.496 0.000 1.113 192 F CA -0.473 57.235 58.000 -0.486 0.000 1.059 192 F CB 1.551 40.318 39.000 -0.389 0.000 1.128 192 F HN 0.735 nan 8.300 nan 0.000 0.475 193 T N 1.098 115.465 114.554 -0.312 0.000 2.718 193 T HA 0.103 4.452 4.350 -0.002 0.000 0.377 193 T C -2.393 172.117 174.700 -0.318 0.000 1.072 193 T CA -1.209 60.789 62.100 -0.169 0.000 1.065 193 T CB -0.208 68.615 68.868 -0.074 0.000 1.194 193 T HN 0.330 nan 8.240 nan 0.000 0.517 194 P HA 0.192 nan 4.420 nan 0.000 0.267 194 P C 0.388 177.308 177.300 -0.634 0.000 1.209 194 P CA -0.048 62.682 63.100 -0.617 0.000 0.763 194 P CB 0.006 31.333 31.700 -0.622 0.000 0.816 195 I N -0.679 119.371 120.570 -0.868 0.000 3.927 195 I HA 0.332 4.501 4.170 -0.002 0.000 0.332 195 I C -0.172 175.793 176.117 -0.253 0.000 1.485 195 I CA -0.587 60.314 61.300 -0.664 0.000 1.131 195 I CB -0.329 37.123 38.000 -0.913 0.000 1.092 195 I HN -0.057 nan 8.210 nan 0.000 0.410 196 F N 2.052 121.889 119.950 -0.188 0.000 2.403 196 F HA 0.720 5.246 4.527 -0.002 0.000 0.326 196 F C 1.175 176.973 175.800 -0.003 0.000 1.081 196 F CA -1.355 56.580 58.000 -0.109 0.000 1.041 196 F CB 1.142 40.055 39.000 -0.145 0.000 1.234 196 F HN -0.035 nan 8.300 nan 0.000 0.503 197 A N 2.051 125.027 122.820 0.261 0.000 2.548 197 A HA 0.397 4.715 4.320 -0.002 0.000 0.247 197 A C 0.123 177.799 177.584 0.153 0.000 1.067 197 A CA 0.401 52.539 52.037 0.169 0.000 0.757 197 A CB -0.225 18.883 19.000 0.180 0.000 0.996 197 A HN 0.755 nan 8.150 nan 0.000 0.504 198 S N 2.756 118.515 115.700 0.097 0.000 2.565 198 S HA 0.708 5.177 4.470 -0.002 0.000 0.269 198 S C -2.551 172.084 174.600 0.059 0.000 1.153 198 S CA -0.472 57.783 58.200 0.092 0.000 0.835 198 S CB 1.937 65.177 63.200 0.067 0.000 1.122 198 S HN 0.447 nan 8.310 nan 0.000 0.462 199 P HA 0.165 nan 4.420 nan 0.000 0.249 199 P C 0.401 177.737 177.300 0.060 0.000 1.229 199 P CA 0.159 63.298 63.100 0.066 0.000 0.788 199 P CB -0.009 31.749 31.700 0.096 0.000 1.072 200 S N -1.213 114.489 115.700 0.004 0.000 2.806 200 S HA 0.233 4.701 4.470 -0.002 0.000 0.315 200 S C 1.027 175.698 174.600 0.118 0.000 1.127 200 S CA -0.551 57.647 58.200 -0.003 0.000 0.918 200 S CB 0.777 63.788 63.200 -0.315 0.000 1.240 200 S HN 0.077 nan 8.310 nan 0.000 0.552 201 H N 0.583 119.707 119.070 0.090 0.000 2.548 201 H HA 0.087 4.642 4.556 -0.002 0.000 0.265 201 H C -0.088 175.359 175.328 0.199 0.000 0.969 201 H CA 0.801 56.965 56.048 0.195 0.000 1.155 201 H CB -0.314 29.373 29.762 -0.125 0.000 1.394 201 H HN 0.863 nan 8.280 nan 0.000 0.570 202 H N -0.144 119.124 119.070 0.329 0.000 2.685 202 H HA 0.315 4.870 4.556 -0.002 0.000 0.286 202 H C -0.461 174.973 175.328 0.176 0.000 1.102 202 H CA -0.995 55.245 56.048 0.321 0.000 1.254 202 H CB 0.566 30.599 29.762 0.451 0.000 1.397 202 H HN -0.155 nan 8.280 nan 0.000 0.473 203 K N 4.658 125.011 120.400 -0.078 0.000 2.307 203 K HA 0.050 4.368 4.320 -0.002 0.000 0.240 203 K C -0.738 175.773 176.600 -0.148 0.000 1.214 203 K CA -0.015 56.216 56.287 -0.093 0.000 1.149 203 K CB -0.365 32.103 32.500 -0.055 0.000 1.668 203 K HN 0.752 nan 8.250 nan 0.000 0.314 204 Y N 0.214 120.687 120.300 0.289 0.000 2.444 204 Y HA -0.033 4.515 4.550 -0.002 0.000 0.252 204 Y C 0.887 176.935 175.900 0.245 0.000 1.091 204 Y CA -0.526 57.742 58.100 0.281 0.000 1.276 204 Y CB 0.514 39.161 38.460 0.312 0.000 1.170 204 Y HN 0.321 nan 8.280 nan 0.000 0.517 205 D N 1.576 122.171 120.400 0.325 0.000 2.688 205 D HA -0.001 4.638 4.640 -0.002 0.000 0.228 205 D C -0.268 176.129 176.300 0.161 0.000 1.116 205 D CA -0.101 54.011 54.000 0.186 0.000 1.023 205 D CB -0.583 40.349 40.800 0.221 0.000 1.100 205 D HN 0.103 nan 8.370 nan 0.000 0.487 206 T N -1.178 113.434 114.554 0.096 0.000 2.871 206 T HA 0.354 4.702 4.350 -0.002 0.000 0.296 206 T C 1.215 175.995 174.700 0.133 0.000 0.998 206 T CA -0.265 61.823 62.100 -0.021 0.000 1.162 206 T CB 1.650 70.254 68.868 -0.440 0.000 0.947 206 T HN 0.359 nan 8.240 nan 0.000 0.536 207 A N 2.426 125.380 122.820 0.223 0.000 1.909 207 A HA 0.231 4.549 4.320 -0.002 0.000 0.209 207 A C 1.072 178.967 177.584 0.518 0.000 1.247 207 A CA 0.297 52.555 52.037 0.368 0.000 0.660 207 A CB 0.071 19.239 19.000 0.279 0.000 0.910 207 A HN 0.779 nan 8.150 nan 0.000 0.465 208 D N -1.256 119.389 120.400 0.409 0.000 2.454 208 D HA 0.345 4.984 4.640 -0.002 0.000 0.247 208 D C -0.262 176.281 176.300 0.406 0.000 1.129 208 D CA -0.717 53.572 54.000 0.482 0.000 0.877 208 D CB 0.265 41.267 40.800 0.336 0.000 1.082 208 D HN 0.208 nan 8.370 nan 0.000 0.537 209 Y N 2.209 122.681 120.300 0.288 0.000 2.483 209 Y HA -0.037 4.512 4.550 -0.002 0.000 0.291 209 Y C 1.615 177.614 175.900 0.165 0.000 1.143 209 Y CA 0.692 58.823 58.100 0.051 0.000 1.289 209 Y CB -0.048 38.490 38.460 0.130 0.000 0.983 209 Y HN 0.419 nan 8.280 nan 0.000 0.556 210 L N -1.173 120.333 121.223 0.473 0.000 2.629 210 L HA 0.370 4.709 4.340 -0.002 0.000 0.230 210 L C 0.602 177.769 176.870 0.495 0.000 1.151 210 L CA 0.094 55.234 54.840 0.501 0.000 0.924 210 L CB -0.384 41.894 42.059 0.365 0.000 1.137 210 L HN 0.026 nan 8.230 nan 0.000 0.457 211 A N -0.728 122.387 122.820 0.490 0.000 2.574 211 A HA 0.670 4.988 4.320 -0.002 0.000 0.297 211 A C -0.483 177.353 177.584 0.420 0.000 1.062 211 A CA -0.576 51.716 52.037 0.425 0.000 0.686 211 A CB 1.456 20.617 19.000 0.269 0.000 1.285 211 A HN -0.109 nan 8.150 nan 0.000 0.403 212 I N 0.887 121.661 120.570 0.340 0.000 2.882 212 I HA 0.088 4.257 4.170 -0.002 0.000 0.286 212 I C 0.592 176.812 176.117 0.172 0.000 1.139 212 I CA 0.123 61.537 61.300 0.189 0.000 1.379 212 I CB 0.553 38.580 38.000 0.044 0.000 1.410 212 I HN 0.868 nan 8.210 nan 0.000 0.594 213 D N 4.735 125.241 120.400 0.178 0.000 2.390 213 D HA 0.112 4.751 4.640 -0.002 0.000 0.249 213 D C -1.609 174.684 176.300 -0.011 0.000 1.144 213 D CA -1.050 52.994 54.000 0.072 0.000 0.880 213 D CB 1.222 42.014 40.800 -0.013 0.000 1.182 213 D HN 0.179 nan 8.370 nan 0.000 0.451 214 P HA -0.288 nan 4.420 nan 0.000 0.222 214 P C 0.932 178.149 177.300 -0.138 0.000 1.159 214 P CA 1.902 64.962 63.100 -0.066 0.000 0.920 214 P CB -0.093 31.562 31.700 -0.075 0.000 0.793 215 Q N -2.470 117.155 119.800 -0.291 0.000 2.500 215 Q HA -0.109 4.229 4.340 -0.002 0.000 0.213 215 Q C 1.120 176.915 176.000 -0.341 0.000 0.974 215 Q CA 1.227 56.801 55.803 -0.382 0.000 0.918 215 Q CB -0.568 27.834 28.738 -0.560 0.000 0.980 215 Q HN 0.192 nan 8.270 nan 0.000 0.505 216 F N -0.019 119.873 119.950 -0.097 0.000 2.602 216 F HA 0.491 5.017 4.527 -0.002 0.000 0.284 216 F C 1.252 177.002 175.800 -0.084 0.000 1.111 216 F CA 0.519 58.453 58.000 -0.109 0.000 1.405 216 F CB 1.001 39.901 39.000 -0.166 0.000 1.121 216 F HN 0.233 nan 8.300 nan 0.000 0.603 217 G N -0.579 108.280 108.800 0.098 0.000 2.317 217 G HA2 0.405 4.363 3.960 -0.002 0.000 0.293 217 G HA3 0.405 4.363 3.960 -0.002 0.000 0.293 217 G C -2.292 172.649 174.900 0.069 0.000 1.287 217 G CA -0.385 44.759 45.100 0.073 0.000 0.850 217 G HN 0.040 nan 8.290 nan 0.000 0.515 218 D N -1.559 118.890 120.400 0.082 0.000 2.559 218 D HA 0.527 5.165 4.640 -0.002 0.000 0.250 218 D C 1.104 177.487 176.300 0.138 0.000 1.135 218 D CA -0.885 53.172 54.000 0.095 0.000 0.955 218 D CB 0.980 41.823 40.800 0.071 0.000 1.442 218 D HN 0.299 nan 8.370 nan 0.000 0.471 219 L N -0.165 121.149 121.223 0.153 0.000 2.137 219 L HA -0.042 4.297 4.340 -0.002 0.000 0.213 219 L C -0.896 176.082 176.870 0.181 0.000 1.085 219 L CA 2.021 56.980 54.840 0.198 0.000 0.760 219 L CB -1.387 40.782 42.059 0.183 0.000 0.893 219 L HN 0.486 nan 8.230 nan 0.000 0.434 220 P HA -0.009 nan 4.420 nan 0.000 0.224 220 P C 1.571 178.917 177.300 0.076 0.000 1.157 220 P CA 0.965 64.114 63.100 0.082 0.000 0.799 220 P CB 0.159 31.890 31.700 0.051 0.000 0.809 221 T N -1.001 113.609 114.554 0.094 0.000 2.809 221 T HA -0.074 4.274 4.350 -0.002 0.000 0.260 221 T C 1.374 176.142 174.700 0.114 0.000 1.039 221 T CA 0.752 62.896 62.100 0.073 0.000 1.141 221 T CB -0.923 67.983 68.868 0.063 0.000 0.869 221 T HN -0.073 nan 8.240 nan 0.000 0.437 222 F N 2.709 122.649 119.950 -0.016 0.000 2.043 222 F HA -0.173 4.353 4.527 -0.002 0.000 0.297 222 F C 2.411 178.195 175.800 -0.026 0.000 1.118 222 F CA 1.548 59.529 58.000 -0.032 0.000 1.202 222 F CB -0.315 38.705 39.000 0.033 0.000 0.965 222 F HN -0.067 nan 8.300 nan 0.000 0.482 223 R N 0.385 120.953 120.500 0.114 0.000 2.328 223 R HA -0.091 4.247 4.340 -0.002 0.000 0.207 223 R C 1.985 178.217 176.300 -0.113 0.000 1.056 223 R CA 0.890 56.961 56.100 -0.049 0.000 1.016 223 R CB -0.515 29.816 30.300 0.052 0.000 0.872 223 R HN 0.174 nan 8.270 nan 0.000 0.471 224 R N -0.253 120.202 120.500 -0.075 0.000 2.090 224 R HA 0.064 4.402 4.340 -0.002 0.000 0.219 224 R C 1.801 178.023 176.300 -0.129 0.000 1.100 224 R CA 0.978 57.027 56.100 -0.084 0.000 0.991 224 R CB -0.994 29.283 30.300 -0.039 0.000 0.893 224 R HN 0.277 nan 8.270 nan 0.000 0.443 225 L N 0.336 121.475 121.223 -0.140 0.000 2.013 225 L HA -0.136 4.203 4.340 -0.002 0.000 0.212 225 L C 1.919 178.632 176.870 -0.261 0.000 1.073 225 L CA 1.837 56.581 54.840 -0.161 0.000 0.753 225 L CB -0.887 41.087 42.059 -0.140 0.000 0.890 225 L HN 0.072 nan 8.230 nan 0.000 0.432 226 V N -0.124 119.530 119.914 -0.434 0.000 2.469 226 V HA -0.292 3.827 4.120 -0.002 0.000 0.251 226 V C 2.202 177.912 176.094 -0.639 0.000 1.064 226 V CA 2.015 63.980 62.300 -0.558 0.000 1.066 226 V CB -0.771 30.689 31.823 -0.605 0.000 0.667 226 V HN 0.489 nan 8.190 nan 0.000 0.461 227 D N -0.649 119.516 120.400 -0.392 0.000 2.144 227 D HA -0.087 4.551 4.640 -0.002 0.000 0.207 227 D C 2.233 178.432 176.300 -0.168 0.000 0.970 227 D CA 0.823 54.649 54.000 -0.291 0.000 0.853 227 D CB -0.177 40.520 40.800 -0.171 0.000 1.007 227 D HN 0.304 nan 8.370 nan 0.000 0.469 228 E N 0.289 120.410 120.200 -0.130 0.000 2.160 228 E HA -0.088 4.261 4.350 -0.002 0.000 0.195 228 E C 1.812 178.379 176.600 -0.054 0.000 0.991 228 E CA 1.074 57.429 56.400 -0.076 0.000 0.810 228 E CB -0.184 29.478 29.700 -0.064 0.000 0.742 228 E HN 0.231 nan 8.360 nan 0.000 0.466 229 A N -0.238 122.545 122.820 -0.062 0.000 1.897 229 A HA -0.157 4.161 4.320 -0.002 0.000 0.215 229 A C 1.707 179.332 177.584 0.069 0.000 1.181 229 A CA 1.474 53.502 52.037 -0.014 0.000 0.620 229 A CB -0.725 18.268 19.000 -0.012 0.000 0.821 229 A HN 0.262 nan 8.150 nan 0.000 0.443 230 H N -0.365 118.629 119.070 -0.127 0.000 2.387 230 H HA -0.083 4.471 4.556 -0.002 0.000 0.299 230 H C 2.047 177.310 175.328 -0.108 0.000 1.099 230 H CA 1.511 57.480 56.048 -0.131 0.000 1.315 230 H CB -0.316 29.370 29.762 -0.126 0.000 1.380 230 H HN 0.397 nan 8.280 nan 0.000 0.513 231 R N 0.670 121.195 120.500 0.042 0.000 2.159 231 R HA -0.096 4.243 4.340 -0.002 0.000 0.237 231 R C 1.111 177.395 176.300 -0.026 0.000 1.131 231 R CA 1.216 57.313 56.100 -0.006 0.000 0.982 231 R CB 0.113 30.403 30.300 -0.017 0.000 0.868 231 R HN 0.259 nan 8.270 nan 0.000 0.453 232 R N -1.512 118.970 120.500 -0.031 0.000 2.393 232 R HA 0.152 4.490 4.340 -0.002 0.000 0.244 232 R C 0.453 176.711 176.300 -0.070 0.000 0.920 232 R CA 0.537 56.609 56.100 -0.045 0.000 1.076 232 R CB 1.068 31.344 30.300 -0.040 0.000 1.119 232 R HN 0.290 nan 8.270 nan 0.000 0.524 233 G N 1.649 110.394 108.800 -0.091 0.000 2.298 233 G HA2 -0.259 3.699 3.960 -0.002 0.000 0.287 233 G HA3 -0.259 3.699 3.960 -0.002 0.000 0.287 233 G C -0.190 174.615 174.900 -0.159 0.000 1.075 233 G CA -0.047 44.965 45.100 -0.147 0.000 0.960 233 G HN 0.258 nan 8.290 nan 0.000 0.502 234 I N -0.856 119.628 120.570 -0.143 0.000 2.582 234 I HA 0.517 4.686 4.170 -0.002 0.000 0.292 234 I C 0.049 176.082 176.117 -0.140 0.000 1.066 234 I CA -0.935 60.282 61.300 -0.137 0.000 1.053 234 I CB 2.259 40.197 38.000 -0.103 0.000 1.241 234 I HN 0.031 nan 8.210 nan 0.000 0.421 235 K N 4.878 125.159 120.400 -0.198 0.000 2.328 235 K HA 0.663 4.982 4.320 -0.002 0.000 0.246 235 K C -1.364 175.192 176.600 -0.073 0.000 0.955 235 K CA -0.846 55.302 56.287 -0.233 0.000 0.817 235 K CB 2.539 34.721 32.500 -0.530 0.000 1.208 235 K HN 0.266 nan 8.250 nan 0.000 0.432 236 I N 2.724 123.304 120.570 0.016 0.000 2.321 236 I HA 0.323 4.491 4.170 -0.002 0.000 0.291 236 I C -0.583 175.580 176.117 0.077 0.000 0.998 236 I CA -0.197 61.143 61.300 0.066 0.000 1.227 236 I CB 0.946 38.981 38.000 0.058 0.000 1.368 236 I HN 0.414 nan 8.210 nan 0.000 0.466 237 I N 7.061 127.713 120.570 0.136 0.000 2.474 237 I HA 0.509 4.677 4.170 -0.002 0.000 0.294 237 I C -0.758 175.504 176.117 0.242 0.000 1.005 237 I CA -0.697 60.709 61.300 0.176 0.000 1.113 237 I CB 1.874 40.062 38.000 0.312 0.000 1.289 237 I HN 0.348 nan 8.210 nan 0.000 0.436 238 L N 4.842 126.127 121.223 0.102 0.000 2.401 238 L HA 0.484 4.823 4.340 -0.002 0.000 0.266 238 L C -1.028 175.874 176.870 0.053 0.000 0.991 238 L CA -0.629 54.231 54.840 0.034 0.000 0.818 238 L CB 2.099 44.029 42.059 -0.215 0.000 1.321 238 L HN 0.485 nan 8.230 nan 0.000 0.413 239 D N 2.973 123.394 120.400 0.035 0.000 2.308 239 D HA 0.497 5.135 4.640 -0.002 0.000 0.251 239 D C -0.828 175.448 176.300 -0.039 0.000 1.127 239 D CA 0.079 54.126 54.000 0.078 0.000 0.876 239 D CB 1.819 42.711 40.800 0.153 0.000 1.176 239 D HN 0.591 nan 8.370 nan 0.000 0.446 240 A N 3.333 126.145 122.820 -0.012 0.000 2.318 240 A HA 0.526 4.844 4.320 -0.002 0.000 0.317 240 A C -0.590 176.781 177.584 -0.356 0.000 1.159 240 A CA -0.773 51.171 52.037 -0.155 0.000 0.799 240 A CB 1.192 19.972 19.000 -0.366 0.000 1.194 240 A HN 0.462 nan 8.150 nan 0.000 0.479 241 V N 0.706 120.509 119.914 -0.184 0.000 2.293 241 V HA 0.501 4.620 4.120 -0.002 0.000 0.275 241 V C -0.172 175.999 176.094 0.127 0.000 1.021 241 V CA -0.121 62.102 62.300 -0.128 0.000 0.815 241 V CB -0.275 31.487 31.823 -0.102 0.000 1.025 241 V HN 0.828 nan 8.190 nan 0.000 0.448 242 F N 2.006 121.971 119.950 0.025 0.000 2.727 242 F HA 0.165 4.691 4.527 -0.002 0.000 0.302 242 F C 2.134 177.822 175.800 -0.185 0.000 1.097 242 F CA -0.048 57.939 58.000 -0.023 0.000 1.330 242 F CB 0.332 39.307 39.000 -0.041 0.000 1.084 242 F HN 0.660 nan 8.300 nan 0.000 0.578 243 N N 0.949 119.614 118.700 -0.059 0.000 2.173 243 N HA -0.107 4.631 4.740 -0.002 0.000 0.184 243 N C 0.276 175.707 175.510 -0.133 0.000 1.025 243 N CA 0.807 53.765 53.050 -0.153 0.000 0.852 243 N CB 0.034 38.394 38.487 -0.212 0.000 0.998 243 N HN 0.349 nan 8.380 nan 0.000 0.427 244 H N -1.597 117.418 119.070 -0.092 0.000 2.621 244 H HA 0.757 5.311 4.556 -0.002 0.000 0.360 244 H C -0.940 174.344 175.328 -0.073 0.000 1.163 244 H CA -1.196 54.772 56.048 -0.133 0.000 1.194 244 H CB 1.944 31.605 29.762 -0.169 0.000 1.649 244 H HN 0.123 nan 8.280 nan 0.000 0.532 245 A N 1.484 124.323 122.820 0.031 0.000 2.312 245 A HA 0.693 5.011 4.320 -0.002 0.000 0.310 245 A C 0.246 177.891 177.584 0.101 0.000 1.139 245 A CA -0.360 51.685 52.037 0.013 0.000 0.886 245 A CB 1.081 19.937 19.000 -0.240 0.000 1.350 245 A HN 0.889 nan 8.150 nan 0.000 0.479 246 G N -1.056 107.855 108.800 0.185 0.000 2.400 246 G HA2 0.396 4.354 3.960 -0.002 0.000 0.301 246 G HA3 0.396 4.354 3.960 -0.002 0.000 0.301 246 G C 0.283 175.503 174.900 0.532 0.000 1.154 246 G CA 0.504 45.786 45.100 0.304 0.000 0.852 246 G HN 0.810 nan 8.290 nan 0.000 0.511 247 D N 0.506 121.230 120.400 0.539 0.000 2.192 247 D HA -0.236 4.403 4.640 -0.002 0.000 0.189 247 D C 2.055 178.670 176.300 0.526 0.000 1.007 247 D CA 1.753 56.150 54.000 0.662 0.000 0.859 247 D CB 0.165 41.199 40.800 0.390 0.000 0.936 247 D HN 0.433 nan 8.370 nan 0.000 0.447 248 Q N -1.281 118.756 119.800 0.394 0.000 2.482 248 Q HA 0.125 4.464 4.340 -0.002 0.000 0.209 248 Q C -0.223 176.002 176.000 0.375 0.000 0.961 248 Q CA -0.094 55.883 55.803 0.291 0.000 0.945 248 Q CB -0.180 28.701 28.738 0.239 0.000 1.012 248 Q HN 0.451 nan 8.270 nan 0.000 0.515 249 F N -0.594 119.556 119.950 0.333 0.000 2.382 249 F HA 0.163 4.688 4.527 -0.002 0.000 0.331 249 F C 0.986 176.872 175.800 0.143 0.000 1.121 249 F CA -1.210 56.993 58.000 0.338 0.000 1.183 249 F CB 0.580 39.868 39.000 0.480 0.000 1.207 249 F HN 0.101 nan 8.300 nan 0.000 0.555 250 F N 3.749 123.519 119.950 -0.300 0.000 2.046 250 F HA -0.087 4.438 4.527 -0.002 0.000 0.297 250 F C 1.812 177.155 175.800 -0.761 0.000 1.123 250 F CA 1.784 59.514 58.000 -0.449 0.000 1.199 250 F CB -1.259 37.487 39.000 -0.423 0.000 0.972 250 F HN 0.436 nan 8.300 nan 0.000 0.474 251 A N -0.429 120.551 122.820 -3.066 0.000 2.119 251 A HA -0.053 4.266 4.320 -0.002 0.000 0.217 251 A C 2.263 178.983 177.584 -1.439 0.000 1.153 251 A CA 1.055 51.229 52.037 -3.105 0.000 0.692 251 A CB -1.545 15.788 19.000 -2.777 0.000 0.799 251 A HN 0.741 nan 8.150 nan 0.000 0.458 252 F N -0.014 119.340 119.950 -0.994 0.000 2.473 252 F HA -0.007 4.519 4.527 -0.002 0.000 0.294 252 F C 2.272 177.808 175.800 -0.440 0.000 1.103 252 F CA 0.193 57.784 58.000 -0.682 0.000 1.442 252 F CB 0.051 38.956 39.000 -0.158 0.000 1.097 252 F HN 0.126 nan 8.300 nan 0.000 0.547 253 R N 0.226 120.555 120.500 -0.286 0.000 2.159 253 R HA -0.229 4.110 4.340 -0.002 0.000 0.237 253 R C 1.222 177.374 176.300 -0.247 0.000 1.131 253 R CA 1.731 57.668 56.100 -0.271 0.000 0.982 253 R CB -0.611 29.587 30.300 -0.171 0.000 0.868 253 R HN 0.305 nan 8.270 nan 0.000 0.453 254 D N 0.059 120.310 120.400 -0.249 0.000 2.363 254 D HA -0.076 4.562 4.640 -0.002 0.000 0.220 254 D C 1.466 177.707 176.300 -0.099 0.000 0.994 254 D CA 0.372 54.287 54.000 -0.141 0.000 0.890 254 D CB 0.498 41.261 40.800 -0.063 0.000 0.906 254 D HN 0.158 nan 8.370 nan 0.000 0.530 255 V N -2.460 117.390 119.914 -0.107 0.000 3.604 255 V HA 0.255 4.374 4.120 -0.002 0.000 0.277 255 V C 1.808 177.854 176.094 -0.079 0.000 1.399 255 V CA -0.043 62.246 62.300 -0.019 0.000 1.034 255 V CB -0.253 31.642 31.823 0.119 0.000 0.824 255 V HN 0.064 nan 8.190 nan 0.000 0.439 256 L N 0.410 121.477 121.223 -0.260 0.000 2.017 256 L HA -0.153 4.186 4.340 -0.002 0.000 0.208 256 L C 2.832 179.625 176.870 -0.128 0.000 1.073 256 L CA 2.591 57.273 54.840 -0.263 0.000 0.745 256 L CB -0.349 41.500 42.059 -0.350 0.000 0.894 256 L HN 0.369 nan 8.230 nan 0.000 0.432 257 Q N -0.463 119.264 119.800 -0.122 0.000 2.062 257 Q HA -0.128 4.211 4.340 -0.002 0.000 0.196 257 Q C 1.688 177.652 176.000 -0.061 0.000 0.967 257 Q CA 1.136 56.892 55.803 -0.079 0.000 0.832 257 Q CB 0.090 28.780 28.738 -0.080 0.000 0.899 257 Q HN 0.187 nan 8.270 nan 0.000 0.442 258 K N 0.069 120.432 120.400 -0.061 0.000 2.417 258 K HA 0.196 4.514 4.320 -0.002 0.000 0.196 258 K C 0.826 177.397 176.600 -0.050 0.000 1.023 258 K CA 0.518 56.772 56.287 -0.055 0.000 1.122 258 K CB 0.219 32.680 32.500 -0.065 0.000 0.850 258 K HN 0.346 nan 8.250 nan 0.000 0.521 259 G N 2.062 110.851 108.800 -0.017 0.000 2.698 259 G HA2 -0.409 3.550 3.960 -0.002 0.000 0.337 259 G HA3 -0.409 3.550 3.960 -0.002 0.000 0.337 259 G C 0.854 175.641 174.900 -0.188 0.000 1.196 259 G CA 0.896 45.950 45.100 -0.077 0.000 0.965 259 G HN 0.361 nan 8.290 nan 0.000 0.550 260 E N 1.020 121.069 120.200 -0.251 0.000 2.460 260 E HA 0.088 4.436 4.350 -0.002 0.000 0.200 260 E C 2.539 179.065 176.600 -0.122 0.000 1.011 260 E CA 0.813 57.074 56.400 -0.232 0.000 0.912 260 E CB 0.023 29.552 29.700 -0.285 0.000 0.953 260 E HN 0.808 nan 8.360 nan 0.000 0.494 261 Q N 1.334 121.069 119.800 -0.108 0.000 2.224 261 Q HA -0.028 4.311 4.340 -0.002 0.000 0.203 261 Q C 0.680 176.617 176.000 -0.106 0.000 0.970 261 Q CA 0.676 56.422 55.803 -0.095 0.000 0.865 261 Q CB -0.230 28.457 28.738 -0.084 0.000 0.922 261 Q HN 0.084 nan 8.270 nan 0.000 0.445 262 S N 1.692 117.335 115.700 -0.095 0.000 3.205 262 S HA -0.010 4.458 4.470 -0.002 0.000 0.381 262 S C 0.844 175.332 174.600 -0.188 0.000 1.122 262 S CA -0.370 57.763 58.200 -0.111 0.000 1.485 262 S CB 0.381 63.560 63.200 -0.034 0.000 1.058 262 S HN 0.190 nan 8.310 nan 0.000 0.570 263 R N 2.365 122.665 120.500 -0.334 0.000 2.133 263 R HA -0.176 4.163 4.340 -0.002 0.000 0.247 263 R C 0.956 176.889 176.300 -0.612 0.000 1.151 263 R CA 1.858 57.657 56.100 -0.502 0.000 0.971 263 R CB -1.031 28.788 30.300 -0.802 0.000 0.866 263 R HN 0.839 nan 8.270 nan 0.000 0.447 264 Y N 1.806 121.851 120.300 -0.424 0.000 2.519 264 Y HA -0.055 4.493 4.550 -0.002 0.000 0.311 264 Y C 1.756 177.507 175.900 -0.249 0.000 1.207 264 Y CA 0.130 57.845 58.100 -0.642 0.000 1.289 264 Y CB -0.177 37.678 38.460 -1.008 0.000 1.059 264 Y HN 0.038 nan 8.280 nan 0.000 0.507 265 K N -0.225 120.166 120.400 -0.014 0.000 2.152 265 K HA -0.205 4.114 4.320 -0.002 0.000 0.206 265 K C 0.580 177.304 176.600 0.207 0.000 1.048 265 K CA 1.912 58.283 56.287 0.140 0.000 0.933 265 K CB -0.894 31.732 32.500 0.210 0.000 0.721 265 K HN 0.388 nan 8.250 nan 0.000 0.447 266 D N -1.615 118.911 120.400 0.210 0.000 2.336 266 D HA -0.020 4.619 4.640 -0.002 0.000 0.228 266 D C 0.289 176.817 176.300 0.380 0.000 1.120 266 D CA -0.293 53.846 54.000 0.231 0.000 0.839 266 D CB -0.423 40.460 40.800 0.138 0.000 0.932 266 D HN 0.178 nan 8.370 nan 0.000 0.509 267 W N -0.061 121.359 121.300 0.201 0.000 3.197 267 W HA 0.349 5.007 4.660 -0.002 0.000 0.274 267 W C -0.341 176.502 176.519 0.541 0.000 1.297 267 W CA -0.492 57.048 57.345 0.325 0.000 1.662 267 W CB -0.097 29.587 29.460 0.373 0.000 1.106 267 W HN -0.169 nan 8.180 nan 0.000 0.663 268 F N -1.056 119.036 119.950 0.236 0.000 2.599 268 F HA 0.391 4.916 4.527 -0.002 0.000 0.311 268 F C -0.320 175.597 175.800 0.195 0.000 1.076 268 F CA -2.498 55.620 58.000 0.197 0.000 0.937 268 F CB 0.545 39.588 39.000 0.071 0.000 1.282 268 F HN -0.460 nan 8.300 nan 0.000 0.460 269 F N 3.524 123.517 119.950 0.071 0.000 2.375 269 F HA 0.534 5.060 4.527 -0.002 0.000 0.333 269 F C 0.119 175.946 175.800 0.046 0.000 1.104 269 F CA -0.562 57.473 58.000 0.057 0.000 1.149 269 F CB 0.953 39.971 39.000 0.029 0.000 1.190 269 F HN -0.016 nan 8.300 nan 0.000 0.533 270 I N 2.722 123.387 120.570 0.159 0.000 2.497 270 I HA 0.096 4.265 4.170 -0.002 0.000 0.284 270 I C 0.565 176.657 176.117 -0.042 0.000 1.060 270 I CA -0.267 61.003 61.300 -0.050 0.000 1.071 270 I CB 1.522 39.257 38.000 -0.442 0.000 1.216 270 I HN 0.806 nan 8.210 nan 0.000 0.442 271 E N 4.227 124.467 120.200 0.067 0.000 2.015 271 E HA -0.129 4.220 4.350 -0.002 0.000 0.191 271 E C -0.212 176.400 176.600 0.020 0.000 0.991 271 E CA 1.227 57.673 56.400 0.076 0.000 0.802 271 E CB 0.461 30.234 29.700 0.122 0.000 0.759 271 E HN 0.684 nan 8.360 nan 0.000 0.447 272 D N -0.773 119.636 120.400 0.015 0.000 2.549 272 D HA 0.144 4.782 4.640 -0.002 0.000 0.251 272 D C -1.158 175.176 176.300 0.057 0.000 1.153 272 D CA -0.467 53.582 54.000 0.080 0.000 0.861 272 D CB 0.332 41.213 40.800 0.135 0.000 1.207 272 D HN -0.023 nan 8.370 nan 0.000 0.543 273 F N 1.953 121.966 119.950 0.106 0.000 2.411 273 F HA 0.383 4.908 4.527 -0.002 0.000 0.350 273 F C -1.558 174.284 175.800 0.070 0.000 1.114 273 F CA -0.937 57.113 58.000 0.083 0.000 1.135 273 F CB 1.232 40.270 39.000 0.063 0.000 1.120 273 F HN 0.219 nan 8.300 nan 0.000 0.495 274 P HA 0.328 nan 4.420 nan 0.000 0.328 274 P C -1.101 176.275 177.300 0.127 0.000 1.288 274 P CA -0.645 62.635 63.100 0.301 0.000 0.786 274 P CB 0.475 32.302 31.700 0.211 0.000 1.388 275 V N 0.699 120.640 119.914 0.045 0.000 2.707 275 V HA -0.075 4.043 4.120 -0.002 0.000 0.291 275 V C 0.343 176.510 176.094 0.121 0.000 1.002 275 V CA 1.123 63.402 62.300 -0.036 0.000 1.200 275 V CB -1.444 30.315 31.823 -0.106 0.000 0.854 275 V HN 0.411 nan 8.190 nan 0.000 0.462 276 S N 5.062 120.954 115.700 0.320 0.000 2.695 276 S HA 0.242 4.711 4.470 -0.002 0.000 0.275 276 S C 1.040 175.923 174.600 0.472 0.000 1.203 276 S CA -0.639 57.772 58.200 0.352 0.000 1.061 276 S CB 0.898 64.275 63.200 0.295 0.000 1.152 276 S HN 0.779 nan 8.310 nan 0.000 0.495 277 K N 1.897 122.483 120.400 0.311 0.000 2.025 277 K HA -0.037 4.282 4.320 -0.002 0.000 0.207 277 K C 1.704 178.405 176.600 0.169 0.000 1.049 277 K CA 1.656 58.100 56.287 0.262 0.000 0.933 277 K CB 0.017 32.622 32.500 0.175 0.000 0.714 277 K HN 0.456 nan 8.250 nan 0.000 0.438 278 T N -1.402 113.232 114.554 0.135 0.000 3.056 278 T HA 0.057 4.405 4.350 -0.002 0.000 0.241 278 T C 1.821 176.569 174.700 0.080 0.000 1.006 278 T CA 0.441 62.597 62.100 0.093 0.000 1.115 278 T CB -0.094 68.821 68.868 0.079 0.000 0.939 278 T HN 0.076 nan 8.240 nan 0.000 0.462 279 S N 0.441 116.196 115.700 0.091 0.000 2.365 279 S HA 0.019 4.488 4.470 -0.002 0.000 0.221 279 S C 0.898 175.535 174.600 0.061 0.000 1.037 279 S CA 1.413 59.659 58.200 0.076 0.000 1.060 279 S CB 0.059 63.313 63.200 0.091 0.000 0.974 279 S HN 0.213 nan 8.310 nan 0.000 0.427 280 R N -1.271 119.267 120.500 0.064 0.000 2.690 280 R HA 0.383 4.722 4.340 -0.002 0.000 0.269 280 R C -1.834 174.461 176.300 -0.007 0.000 1.037 280 R CA -0.245 55.871 56.100 0.026 0.000 0.877 280 R CB 1.295 31.609 30.300 0.024 0.000 1.255 280 R HN 0.062 nan 8.270 nan 0.000 0.467 281 T N 2.119 116.618 114.554 -0.092 0.000 3.154 281 T HA 0.228 4.577 4.350 -0.002 0.000 0.381 281 T C 0.091 174.588 174.700 -0.337 0.000 1.368 281 T CA -0.363 61.564 62.100 -0.288 0.000 1.155 281 T CB 0.271 68.996 68.868 -0.238 0.000 1.120 281 T HN 0.397 nan 8.240 nan 0.000 0.570 282 N N 1.782 120.314 118.700 -0.281 0.000 2.220 282 N HA 0.078 4.816 4.740 -0.002 0.000 0.195 282 N C 0.017 175.432 175.510 -0.158 0.000 1.123 282 N CA -0.549 52.397 53.050 -0.172 0.000 0.874 282 N CB 0.250 38.707 38.487 -0.050 0.000 0.995 282 N HN 0.706 nan 8.380 nan 0.000 0.498 283 Y N 0.133 120.450 120.300 0.029 0.000 2.397 283 Y HA 0.291 4.840 4.550 -0.002 0.000 0.335 283 Y C 0.501 176.393 175.900 -0.015 0.000 1.213 283 Y CA -1.006 57.107 58.100 0.022 0.000 1.391 283 Y CB 0.164 38.654 38.460 0.051 0.000 1.293 283 Y HN -0.151 nan 8.280 nan 0.000 0.557 284 E N 2.077 122.366 120.200 0.147 0.000 2.868 284 E HA -0.125 4.223 4.350 -0.002 0.000 0.246 284 E C -0.318 176.246 176.600 -0.060 0.000 0.962 284 E CA 0.803 57.156 56.400 -0.078 0.000 0.955 284 E CB 0.412 29.885 29.700 -0.379 0.000 0.903 284 E HN 0.723 nan 8.360 nan 0.000 0.524 285 T N 2.306 116.817 114.554 -0.072 0.000 2.916 285 T HA 0.273 4.622 4.350 -0.002 0.000 0.292 285 T C 0.590 175.343 174.700 0.088 0.000 1.064 285 T CA -0.726 61.377 62.100 0.006 0.000 1.011 285 T CB 0.860 69.701 68.868 -0.046 0.000 1.152 285 T HN 0.468 nan 8.240 nan 0.000 0.510 286 F N 1.986 121.920 119.950 -0.027 0.000 2.060 286 F HA 0.375 4.901 4.527 -0.002 0.000 0.295 286 F C 0.821 176.607 175.800 -0.024 0.000 1.120 286 F CA 1.139 59.150 58.000 0.019 0.000 1.205 286 F CB -0.049 39.004 39.000 0.088 0.000 0.986 286 F HN 0.708 nan 8.300 nan 0.000 0.470 287 A N -1.169 121.652 122.820 0.002 0.000 2.564 287 A HA 0.434 4.753 4.320 -0.002 0.000 0.288 287 A C 0.795 178.322 177.584 -0.095 0.000 1.164 287 A CA -0.040 51.911 52.037 -0.144 0.000 0.712 287 A CB 0.375 19.195 19.000 -0.301 0.000 1.303 287 A HN 0.469 nan 8.150 nan 0.000 0.418 288 V N -2.306 117.545 119.914 -0.105 0.000 2.353 288 V HA -0.256 3.862 4.120 -0.002 0.000 0.260 288 V C 0.628 176.673 176.094 -0.082 0.000 1.091 288 V CA 2.511 64.760 62.300 -0.086 0.000 1.088 288 V CB -0.845 30.931 31.823 -0.079 0.000 0.672 288 V HN 0.684 nan 8.190 nan 0.000 0.455 289 Q N 0.573 120.327 119.800 -0.078 0.000 2.563 289 Q HA 0.425 4.764 4.340 -0.002 0.000 0.367 289 Q C -0.532 175.434 176.000 -0.056 0.000 0.845 289 Q CA 0.072 55.831 55.803 -0.072 0.000 1.077 289 Q CB 1.471 30.179 28.738 -0.051 0.000 1.409 289 Q HN 0.784 nan 8.270 nan 0.000 0.396 290 V N -0.764 119.122 119.914 -0.047 0.000 2.350 290 V HA 0.554 4.673 4.120 -0.002 0.000 0.276 290 V C -2.042 174.059 176.094 0.012 0.000 1.028 290 V CA -1.665 60.634 62.300 -0.001 0.000 0.860 290 V CB 1.447 33.303 31.823 0.055 0.000 0.990 290 V HN 0.064 nan 8.190 nan 0.000 0.453 291 P HA 0.408 nan 4.420 nan 0.000 0.261 291 P C 0.431 177.845 177.300 0.191 0.000 1.352 291 P CA 0.643 63.795 63.100 0.088 0.000 0.891 291 P CB 1.100 32.853 31.700 0.087 0.000 1.383 292 A N -0.586 122.345 122.820 0.184 0.000 2.653 292 A HA 0.463 4.782 4.320 -0.002 0.000 0.248 292 A C 0.499 178.211 177.584 0.213 0.000 1.211 292 A CA -0.084 52.097 52.037 0.239 0.000 0.991 292 A CB 0.086 19.224 19.000 0.230 0.000 1.252 292 A HN 0.082 nan 8.150 nan 0.000 0.593 293 M N 1.361 121.041 119.600 0.133 0.000 2.060 293 M HA 0.381 4.860 4.480 -0.002 0.000 0.275 293 M C -3.219 173.109 176.300 0.046 0.000 0.919 293 M CA -1.350 53.924 55.300 -0.044 0.000 0.970 293 M CB 2.453 34.822 32.600 -0.386 0.000 1.670 293 M HN -0.079 nan 8.290 nan 0.000 0.440 294 P HA 0.425 nan 4.420 nan 0.000 0.292 294 P C -1.368 175.684 177.300 -0.413 0.000 1.308 294 P CA -0.891 62.124 63.100 -0.141 0.000 0.933 294 P CB 1.354 32.884 31.700 -0.284 0.000 1.217 295 K N 1.567 121.753 120.400 -0.356 0.000 2.339 295 K HA 0.243 4.562 4.320 -0.002 0.000 0.286 295 K C -0.259 176.139 176.600 -0.337 0.000 1.050 295 K CA -0.383 55.741 56.287 -0.272 0.000 0.956 295 K CB -0.006 32.321 32.500 -0.289 0.000 0.990 295 K HN 0.491 nan 8.250 nan 0.000 0.475 296 L N 5.359 126.446 121.223 -0.227 0.000 2.456 296 L HA 0.101 4.440 4.340 -0.002 0.000 0.277 296 L C 1.039 177.879 176.870 -0.050 0.000 1.124 296 L CA 0.024 54.780 54.840 -0.140 0.000 0.880 296 L CB 0.271 42.279 42.059 -0.086 0.000 1.192 296 L HN 0.532 nan 8.230 nan 0.000 0.463 297 R N 2.830 123.366 120.500 0.059 0.000 3.206 297 R HA -0.017 4.321 4.340 -0.002 0.000 0.209 297 R C 1.225 177.486 176.300 -0.065 0.000 1.632 297 R CA 0.243 56.399 56.100 0.094 0.000 1.234 297 R CB 0.025 30.362 30.300 0.061 0.000 1.270 297 R HN 0.796 nan 8.270 nan 0.000 0.665 298 T N -1.120 113.342 114.554 -0.153 0.000 2.849 298 T HA -0.169 4.180 4.350 -0.002 0.000 0.270 298 T C 1.277 175.883 174.700 -0.158 0.000 1.066 298 T CA 1.201 63.138 62.100 -0.270 0.000 1.130 298 T CB -0.043 68.461 68.868 -0.607 0.000 0.864 298 T HN 0.564 nan 8.240 nan 0.000 0.481 299 E N 1.286 121.422 120.200 -0.107 0.000 2.219 299 E HA -0.093 4.256 4.350 -0.002 0.000 0.198 299 E C 0.897 177.443 176.600 -0.090 0.000 0.998 299 E CA 0.347 56.707 56.400 -0.067 0.000 0.818 299 E CB -0.089 29.582 29.700 -0.048 0.000 0.741 299 E HN 0.481 nan 8.360 nan 0.000 0.477 300 N N 0.434 119.058 118.700 -0.127 0.000 2.458 300 N HA 0.006 4.745 4.740 -0.002 0.000 0.270 300 N C -2.089 173.317 175.510 -0.173 0.000 1.102 300 N CA -1.666 51.304 53.050 -0.134 0.000 0.967 300 N CB 1.347 39.750 38.487 -0.140 0.000 1.078 300 N HN -0.237 nan 8.380 nan 0.000 0.471 301 P HA -0.154 nan 4.420 nan 0.000 0.216 301 P C 0.747 177.957 177.300 -0.149 0.000 1.150 301 P CA 1.500 64.522 63.100 -0.130 0.000 0.837 301 P CB 0.193 31.853 31.700 -0.067 0.000 0.786 302 E N -0.828 119.315 120.200 -0.096 0.000 2.285 302 E HA -0.059 4.289 4.350 -0.002 0.000 0.194 302 E C 1.522 177.927 176.600 -0.325 0.000 0.997 302 E CA 0.735 57.131 56.400 -0.008 0.000 0.845 302 E CB -0.837 29.025 29.700 0.270 0.000 0.782 302 E HN 0.045 nan 8.360 nan 0.000 0.491 303 V N 1.864 121.367 119.914 -0.685 0.000 2.239 303 V HA -0.242 3.876 4.120 -0.002 0.000 0.242 303 V C 2.569 178.387 176.094 -0.460 0.000 1.038 303 V CA 1.965 63.718 62.300 -0.910 0.000 1.002 303 V CB -0.785 30.648 31.823 -0.650 0.000 0.641 303 V HN 0.227 nan 8.190 nan 0.000 0.449 304 K N -0.171 119.993 120.400 -0.395 0.000 2.071 304 K HA -0.332 3.987 4.320 -0.002 0.000 0.217 304 K C 2.271 178.407 176.600 -0.773 0.000 1.054 304 K CA 2.323 58.291 56.287 -0.532 0.000 0.937 304 K CB -0.232 31.927 32.500 -0.568 0.000 0.719 304 K HN 0.344 nan 8.250 nan 0.000 0.454 305 E N -0.115 119.785 120.200 -0.501 0.000 2.077 305 E HA -0.201 4.148 4.350 -0.002 0.000 0.193 305 E C 1.717 178.312 176.600 -0.008 0.000 0.989 305 E CA 1.196 57.443 56.400 -0.256 0.000 0.800 305 E CB -0.420 29.232 29.700 -0.080 0.000 0.746 305 E HN 0.518 nan 8.360 nan 0.000 0.452 306 Y N 0.803 121.021 120.300 -0.136 0.000 2.097 306 Y HA -0.221 4.327 4.550 -0.002 0.000 0.282 306 Y C 2.196 178.083 175.900 -0.021 0.000 1.152 306 Y CA 1.332 59.418 58.100 -0.022 0.000 1.136 306 Y CB -0.165 38.292 38.460 -0.005 0.000 0.975 306 Y HN -0.025 nan 8.280 nan 0.000 0.498 307 L N -0.274 120.813 121.223 -0.226 0.000 2.456 307 L HA -0.179 4.159 4.340 -0.002 0.000 0.224 307 L C 1.847 178.638 176.870 -0.132 0.000 1.148 307 L CA 0.773 55.358 54.840 -0.423 0.000 0.825 307 L CB -0.470 41.300 42.059 -0.480 0.000 0.937 307 L HN 0.372 nan 8.230 nan 0.000 0.450 308 F N -0.821 118.992 119.950 -0.228 0.000 2.569 308 F HA -0.085 4.440 4.527 -0.002 0.000 0.295 308 F C 2.112 177.919 175.800 0.013 0.000 1.115 308 F CA -0.192 57.740 58.000 -0.114 0.000 1.450 308 F CB 0.160 39.099 39.000 -0.101 0.000 1.107 308 F HN 0.124 nan 8.300 nan 0.000 0.563 309 D N 0.336 120.865 120.400 0.215 0.000 2.137 309 D HA -0.092 4.546 4.640 -0.002 0.000 0.202 309 D C 2.448 178.906 176.300 0.263 0.000 0.970 309 D CA 0.835 54.967 54.000 0.220 0.000 0.837 309 D CB -0.156 40.778 40.800 0.223 0.000 0.981 309 D HN -0.011 nan 8.370 nan 0.000 0.475 310 V N 1.912 121.954 119.914 0.213 0.000 2.250 310 V HA -0.344 3.775 4.120 -0.002 0.000 0.253 310 V C 2.577 179.017 176.094 0.576 0.000 1.065 310 V CA 2.362 64.892 62.300 0.383 0.000 1.039 310 V CB -0.846 31.125 31.823 0.246 0.000 0.647 310 V HN 0.211 nan 8.190 nan 0.000 0.446 311 A N -0.701 122.377 122.820 0.430 0.000 1.929 311 A HA -0.149 4.169 4.320 -0.002 0.000 0.216 311 A C 2.316 180.212 177.584 0.520 0.000 1.176 311 A CA 1.430 53.789 52.037 0.536 0.000 0.628 311 A CB -0.450 18.708 19.000 0.262 0.000 0.816 311 A HN 0.537 nan 8.150 nan 0.000 0.444 312 R N -1.370 119.335 120.500 0.342 0.000 2.096 312 R HA -0.174 4.165 4.340 -0.002 0.000 0.240 312 R C 2.108 178.608 176.300 0.333 0.000 1.139 312 R CA 1.844 58.112 56.100 0.281 0.000 0.952 312 R CB -0.684 29.740 30.300 0.206 0.000 0.854 312 R HN 0.680 nan 8.270 nan 0.000 0.436 313 F N 0.184 120.222 119.950 0.147 0.000 2.051 313 F HA -0.254 4.271 4.527 -0.002 0.000 0.296 313 F C 1.568 177.366 175.800 -0.003 0.000 1.122 313 F CA 1.212 59.201 58.000 -0.019 0.000 1.201 313 F CB -0.202 38.694 39.000 -0.175 0.000 0.978 313 F HN 0.019 nan 8.300 nan 0.000 0.472 314 W N 0.446 121.741 121.300 -0.009 0.000 2.538 314 W HA -0.081 4.578 4.660 -0.002 0.000 0.254 314 W C 2.046 178.644 176.519 0.131 0.000 1.249 314 W CA 0.526 57.856 57.345 -0.025 0.000 1.253 314 W CB -0.394 29.180 29.460 0.190 0.000 1.130 314 W HN 0.075 nan 8.180 nan 0.000 0.618 315 M N -0.712 119.114 119.600 0.376 0.000 2.510 315 M HA -0.023 4.456 4.480 -0.002 0.000 0.256 315 M C 1.497 177.910 176.300 0.188 0.000 1.132 315 M CA 1.033 56.501 55.300 0.281 0.000 1.105 315 M CB -0.052 32.742 32.600 0.324 0.000 1.375 315 M HN -0.001 nan 8.290 nan 0.000 0.477 316 E N 0.365 120.674 120.200 0.182 0.000 2.106 316 E HA -0.176 4.173 4.350 -0.002 0.000 0.192 316 E C 1.797 178.466 176.600 0.115 0.000 0.984 316 E CA 0.775 57.264 56.400 0.147 0.000 0.806 316 E CB -0.006 29.803 29.700 0.183 0.000 0.750 316 E HN 0.405 nan 8.360 nan 0.000 0.458 317 Q N -0.440 119.423 119.800 0.106 0.000 2.443 317 Q HA -0.099 4.240 4.340 -0.002 0.000 0.213 317 Q C 1.430 177.462 176.000 0.053 0.000 0.982 317 Q CA 1.253 57.118 55.803 0.102 0.000 0.894 317 Q CB -0.028 28.839 28.738 0.215 0.000 0.947 317 Q HN 0.499 nan 8.270 nan 0.000 0.480 318 G N 1.353 110.197 108.800 0.073 0.000 2.157 318 G HA2 -0.280 3.678 3.960 -0.002 0.000 0.248 318 G HA3 -0.280 3.678 3.960 -0.002 0.000 0.248 318 G C 0.356 175.304 174.900 0.080 0.000 0.979 318 G CA 0.268 45.401 45.100 0.056 0.000 0.650 318 G HN 0.519 nan 8.290 nan 0.000 0.529 319 I N -1.863 118.749 120.570 0.070 0.000 2.836 319 I HA 0.550 4.718 4.170 -0.002 0.000 0.285 319 I C 0.707 176.837 176.117 0.022 0.000 1.174 319 I CA 0.347 61.665 61.300 0.029 0.000 1.405 319 I CB 0.626 38.614 38.000 -0.021 0.000 1.385 319 I HN -0.076 nan 8.210 nan 0.000 0.594 320 D N 3.054 123.455 120.400 0.001 0.000 2.349 320 D HA 0.374 5.013 4.640 -0.002 0.000 0.214 320 D C 0.318 176.696 176.300 0.129 0.000 1.063 320 D CA 0.473 54.494 54.000 0.034 0.000 0.847 320 D CB 0.839 41.567 40.800 -0.120 0.000 0.933 320 D HN 0.926 nan 8.370 nan 0.000 0.513 321 G N -0.228 108.560 108.800 -0.020 0.000 2.429 321 G HA2 0.335 4.293 3.960 -0.002 0.000 0.300 321 G HA3 0.335 4.293 3.960 -0.002 0.000 0.300 321 G C -1.960 172.872 174.900 -0.113 0.000 1.598 321 G CA -1.168 43.978 45.100 0.077 0.000 0.863 321 G HN -0.049 nan 8.290 nan 0.000 0.614 322 W N 0.866 122.252 121.300 0.144 0.000 2.627 322 W HA 0.805 5.464 4.660 -0.002 0.000 0.339 322 W C 0.484 176.960 176.519 -0.071 0.000 1.058 322 W CA -0.852 56.550 57.345 0.095 0.000 1.223 322 W CB 2.025 31.604 29.460 0.197 0.000 1.389 322 W HN 0.535 nan 8.180 nan 0.000 0.541 323 R N 2.965 123.486 120.500 0.034 0.000 2.534 323 R HA 0.682 5.021 4.340 -0.002 0.000 0.301 323 R C -1.750 174.428 176.300 -0.204 0.000 0.961 323 R CA -0.655 55.313 56.100 -0.219 0.000 0.871 323 R CB 0.913 31.035 30.300 -0.296 0.000 1.170 323 R HN 0.699 nan 8.270 nan 0.000 0.446 324 L N 3.426 124.399 121.223 -0.416 0.000 2.319 324 L HA 0.403 4.742 4.340 -0.002 0.000 0.281 324 L C -0.643 175.944 176.870 -0.471 0.000 1.005 324 L CA -0.810 53.752 54.840 -0.463 0.000 0.828 324 L CB 1.888 43.498 42.059 -0.749 0.000 1.227 324 L HN 0.614 nan 8.230 nan 0.000 0.415 325 D N 1.515 121.735 120.400 -0.300 0.000 2.163 325 D HA 0.475 5.114 4.640 -0.002 0.000 0.248 325 D C 0.351 176.506 176.300 -0.241 0.000 1.035 325 D CA -0.101 53.764 54.000 -0.226 0.000 0.872 325 D CB 1.559 42.325 40.800 -0.057 0.000 1.183 325 D HN 0.298 nan 8.370 nan 0.000 0.445 326 V N 2.492 122.269 119.914 -0.230 0.000 5.487 326 V HA -0.304 3.814 4.120 -0.002 0.000 0.302 326 V C 1.508 177.505 176.094 -0.160 0.000 0.511 326 V CA 0.934 63.142 62.300 -0.155 0.000 0.684 326 V CB -2.571 29.192 31.823 -0.101 0.000 0.458 326 V HN 0.722 nan 8.190 nan 0.000 1.195 327 A N 1.233 123.866 122.820 -0.312 0.000 1.933 327 A HA -0.224 4.095 4.320 -0.002 0.000 0.218 327 A C 1.908 179.432 177.584 -0.100 0.000 1.175 327 A CA 2.046 53.903 52.037 -0.300 0.000 0.628 327 A CB -0.612 17.885 19.000 -0.839 0.000 0.814 327 A HN 1.147 nan 8.150 nan 0.000 0.444 328 N N -0.577 117.929 118.700 -0.323 0.000 2.519 328 N HA -0.139 4.600 4.740 -0.002 0.000 0.186 328 N C 0.665 176.302 175.510 0.212 0.000 1.062 328 N CA 1.053 53.958 53.050 -0.242 0.000 0.910 328 N CB -0.187 38.031 38.487 -0.448 0.000 0.958 328 N HN 0.629 nan 8.380 nan 0.000 0.445 329 E N 0.447 120.748 120.200 0.168 0.000 2.496 329 E HA 0.185 4.534 4.350 -0.002 0.000 0.200 329 E C -0.909 175.791 176.600 0.167 0.000 1.016 329 E CA -0.271 56.239 56.400 0.185 0.000 0.962 329 E CB 1.093 30.865 29.700 0.120 0.000 1.071 329 E HN 0.120 nan 8.360 nan 0.000 0.457 330 V N 2.640 122.717 119.914 0.272 0.000 2.680 330 V HA 0.052 4.171 4.120 -0.002 0.000 0.309 330 V C -0.125 176.064 176.094 0.158 0.000 1.052 330 V CA -1.162 61.178 62.300 0.066 0.000 0.908 330 V CB 2.056 33.700 31.823 -0.298 0.000 1.001 330 V HN 0.272 nan 8.190 nan 0.000 0.431 331 D N 3.170 123.568 120.400 -0.003 0.000 2.478 331 D HA -0.079 4.559 4.640 -0.002 0.000 0.234 331 D C 0.869 177.276 176.300 0.178 0.000 1.154 331 D CA 0.171 54.234 54.000 0.105 0.000 0.874 331 D CB 0.714 41.564 40.800 0.084 0.000 1.198 331 D HN 0.651 nan 8.370 nan 0.000 0.455 332 H N 1.465 120.692 119.070 0.262 0.000 2.389 332 H HA -0.066 4.488 4.556 -0.002 0.000 0.299 332 H C 1.997 177.452 175.328 0.211 0.000 1.081 332 H CA 1.413 57.625 56.048 0.274 0.000 1.345 332 H CB -0.025 29.783 29.762 0.076 0.000 1.393 332 H HN 0.672 nan 8.280 nan 0.000 0.520 333 A N 1.512 124.480 122.820 0.247 0.000 1.873 333 A HA -0.230 4.088 4.320 -0.002 0.000 0.218 333 A C 2.299 180.004 177.584 0.202 0.000 1.193 333 A CA 1.601 53.745 52.037 0.179 0.000 0.629 333 A CB -1.212 17.861 19.000 0.122 0.000 0.826 333 A HN 0.373 nan 8.150 nan 0.000 0.447 334 F N -0.870 119.053 119.950 -0.045 0.000 2.043 334 F HA -0.274 4.252 4.527 -0.002 0.000 0.297 334 F C 2.118 177.886 175.800 -0.053 0.000 1.121 334 F CA 2.270 60.189 58.000 -0.135 0.000 1.199 334 F CB -0.525 38.177 39.000 -0.497 0.000 0.968 334 F HN 0.419 nan 8.300 nan 0.000 0.478 335 W N 0.160 121.789 121.300 0.548 0.000 2.350 335 W HA -0.167 4.491 4.660 -0.002 0.000 0.289 335 W C 2.747 179.452 176.519 0.311 0.000 1.215 335 W CA 1.317 58.948 57.345 0.476 0.000 1.236 335 W CB -0.317 29.416 29.460 0.455 0.000 1.130 335 W HN -0.025 nan 8.180 nan 0.000 0.541 336 R N 0.449 121.165 120.500 0.360 0.000 2.140 336 R HA -0.023 4.316 4.340 -0.002 0.000 0.213 336 R C 1.681 178.054 176.300 0.122 0.000 1.059 336 R CA 1.238 57.466 56.100 0.213 0.000 1.000 336 R CB -0.061 30.345 30.300 0.176 0.000 0.910 336 R HN 0.077 nan 8.270 nan 0.000 0.455 337 E N -0.451 119.821 120.200 0.119 0.000 2.230 337 E HA -0.110 4.238 4.350 -0.002 0.000 0.192 337 E C 1.289 177.794 176.600 -0.158 0.000 0.987 337 E CA 0.663 57.094 56.400 0.053 0.000 0.841 337 E CB -0.078 29.724 29.700 0.170 0.000 0.783 337 E HN 0.224 nan 8.360 nan 0.000 0.481 338 F N 2.093 121.784 119.950 -0.432 0.000 2.095 338 F HA -0.216 4.310 4.527 -0.002 0.000 0.298 338 F C 2.297 177.920 175.800 -0.295 0.000 1.104 338 F CA 1.685 59.268 58.000 -0.696 0.000 1.232 338 F CB 0.000 38.676 39.000 -0.540 0.000 0.987 338 F HN -0.186 nan 8.300 nan 0.000 0.475 339 R N 0.382 120.831 120.500 -0.084 0.000 2.081 339 R HA -0.186 4.152 4.340 -0.002 0.000 0.235 339 R C 2.636 178.827 176.300 -0.181 0.000 1.131 339 R CA 1.540 57.570 56.100 -0.118 0.000 0.960 339 R CB -0.459 29.878 30.300 0.062 0.000 0.856 339 R HN 0.310 nan 8.270 nan 0.000 0.436 340 R N 0.832 121.248 120.500 -0.141 0.000 2.083 340 R HA -0.176 4.162 4.340 -0.002 0.000 0.237 340 R C 2.394 178.595 176.300 -0.165 0.000 1.137 340 R CA 1.768 57.800 56.100 -0.115 0.000 0.951 340 R CB -0.554 29.699 30.300 -0.079 0.000 0.851 340 R HN 0.355 nan 8.270 nan 0.000 0.434 341 L N 0.789 121.848 121.223 -0.273 0.000 1.944 341 L HA -0.229 4.110 4.340 -0.002 0.000 0.218 341 L C 2.332 179.045 176.870 -0.262 0.000 1.075 341 L CA 1.950 56.610 54.840 -0.300 0.000 0.767 341 L CB -0.564 41.201 42.059 -0.490 0.000 0.890 341 L HN 0.067 nan 8.230 nan 0.000 0.434 342 V N 0.109 119.769 119.914 -0.423 0.000 2.278 342 V HA -0.341 3.778 4.120 -0.002 0.000 0.251 342 V C 2.644 178.681 176.094 -0.096 0.000 1.062 342 V CA 2.168 64.308 62.300 -0.266 0.000 1.038 342 V CB -0.867 30.692 31.823 -0.440 0.000 0.646 342 V HN 0.463 nan 8.190 nan 0.000 0.447 343 K N 0.464 120.800 120.400 -0.107 0.000 2.366 343 K HA -0.013 4.305 4.320 -0.002 0.000 0.198 343 K C 2.370 178.960 176.600 -0.017 0.000 1.044 343 K CA 1.358 57.626 56.287 -0.032 0.000 0.973 343 K CB -0.250 32.232 32.500 -0.029 0.000 0.767 343 K HN 0.722 nan 8.250 nan 0.000 0.475 344 S N 0.840 116.517 115.700 -0.038 0.000 2.388 344 S HA 0.009 4.477 4.470 -0.002 0.000 0.223 344 S C 2.207 176.810 174.600 0.004 0.000 1.034 344 S CA 0.218 58.409 58.200 -0.016 0.000 0.963 344 S CB -0.546 62.638 63.200 -0.027 0.000 0.827 344 S HN 0.089 nan 8.310 nan 0.000 0.481 345 L N 1.481 122.707 121.223 0.005 0.000 1.956 345 L HA -0.038 4.300 4.340 -0.002 0.000 0.216 345 L C 1.068 177.971 176.870 0.055 0.000 1.073 345 L CA 1.412 56.276 54.840 0.040 0.000 0.762 345 L CB -0.561 41.536 42.059 0.064 0.000 0.889 345 L HN 0.390 nan 8.230 nan 0.000 0.433 346 N N -1.021 117.718 118.700 0.065 0.000 2.442 346 N HA 0.190 4.929 4.740 -0.002 0.000 0.274 346 N C -2.153 173.402 175.510 0.076 0.000 1.002 346 N CA -2.137 50.961 53.050 0.079 0.000 0.910 346 N CB 1.848 40.401 38.487 0.109 0.000 1.244 346 N HN -0.233 nan 8.380 nan 0.000 0.492 347 P HA 0.002 nan 4.420 nan 0.000 0.220 347 P C -0.040 177.318 177.300 0.098 0.000 1.148 347 P CA 1.068 64.207 63.100 0.065 0.000 0.803 347 P CB 0.461 32.196 31.700 0.058 0.000 0.782 348 D N -1.380 119.109 120.400 0.147 0.000 2.340 348 D HA 0.182 4.820 4.640 -0.002 0.000 0.217 348 D C 0.412 176.913 176.300 0.336 0.000 1.081 348 D CA -0.056 54.101 54.000 0.261 0.000 0.842 348 D CB -0.366 40.630 40.800 0.325 0.000 0.934 348 D HN 0.005 nan 8.370 nan 0.000 0.511 349 A N 0.944 123.902 122.820 0.231 0.000 2.444 349 A HA 0.259 4.578 4.320 -0.002 0.000 0.273 349 A C 0.131 177.861 177.584 0.244 0.000 1.136 349 A CA -0.362 51.836 52.037 0.269 0.000 0.799 349 A CB -0.029 19.108 19.000 0.228 0.000 1.081 349 A HN 0.216 nan 8.150 nan 0.000 0.509 350 L N 3.808 125.211 121.223 0.301 0.000 2.456 350 L HA 0.420 4.758 4.340 -0.002 0.000 0.272 350 L C -0.259 176.687 176.870 0.126 0.000 1.189 350 L CA 0.626 55.529 54.840 0.106 0.000 0.846 350 L CB 0.142 42.242 42.059 0.069 0.000 1.111 350 L HN 0.570 nan 8.230 nan 0.000 0.475 351 I N 5.575 126.164 120.570 0.032 0.000 2.478 351 I HA 0.427 4.596 4.170 -0.002 0.000 0.287 351 I C -1.135 174.875 176.117 -0.178 0.000 1.042 351 I CA -0.693 60.636 61.300 0.049 0.000 1.067 351 I CB 1.892 39.978 38.000 0.143 0.000 1.233 351 I HN 0.217 nan 8.210 nan 0.000 0.431 352 V N 4.540 124.211 119.914 -0.404 0.000 2.686 352 V HA 0.666 4.785 4.120 -0.002 0.000 0.306 352 V C 0.352 175.918 176.094 -0.880 0.000 1.065 352 V CA -0.441 61.440 62.300 -0.698 0.000 0.894 352 V CB 2.110 33.273 31.823 -1.099 0.000 1.004 352 V HN 0.882 nan 8.190 nan 0.000 0.424 353 G N 2.473 110.699 108.800 -0.957 0.000 2.488 353 G HA2 0.728 4.686 3.960 -0.002 0.000 0.318 353 G HA3 0.728 4.686 3.960 -0.002 0.000 0.318 353 G C -0.602 173.818 174.900 -0.799 0.000 1.188 353 G CA -0.252 44.132 45.100 -1.193 0.000 0.944 353 G HN 1.197 nan 8.290 nan 0.000 0.495 354 A N 0.525 122.867 122.820 -0.796 0.000 2.545 354 A HA 0.640 4.959 4.320 -0.002 0.000 0.300 354 A C -1.001 176.011 177.584 -0.954 0.000 1.252 354 A CA -0.333 51.188 52.037 -0.859 0.000 0.753 354 A CB 0.372 18.963 19.000 -0.680 0.000 1.144 354 A HN 0.421 nan 8.150 nan 0.000 0.457 355 I N 0.296 120.307 120.570 -0.932 0.000 2.530 355 I HA 0.491 4.660 4.170 -0.002 0.000 0.297 355 I C -0.710 174.976 176.117 -0.718 0.000 1.011 355 I CA -0.436 60.365 61.300 -0.833 0.000 1.107 355 I CB 1.711 39.267 38.000 -0.741 0.000 1.285 355 I HN 0.691 nan 8.210 nan 0.000 0.436 356 W N 5.785 126.838 121.300 -0.412 0.000 1.689 356 W HA 0.462 5.121 4.660 -0.002 0.000 0.294 356 W C -0.376 175.878 176.519 -0.441 0.000 0.824 356 W CA -0.442 56.514 57.345 -0.648 0.000 2.398 356 W CB 0.058 29.176 29.460 -0.571 0.000 2.375 356 W HN 0.654 nan 8.180 nan 0.000 0.478 357 H N -2.990 116.137 119.070 0.096 0.000 2.950 357 H HA 0.229 4.784 4.556 -0.002 0.000 0.307 357 H C -1.032 174.536 175.328 0.400 0.000 1.403 357 H CA -1.350 54.854 56.048 0.260 0.000 1.145 357 H CB 0.471 30.336 29.762 0.172 0.000 1.844 357 H HN -0.157 nan 8.280 nan 0.000 0.515 358 D N 0.281 121.032 120.400 0.584 0.000 2.472 358 D HA 0.203 4.842 4.640 -0.002 0.000 0.248 358 D C 0.349 176.981 176.300 0.555 0.000 1.174 358 D CA 0.615 54.915 54.000 0.501 0.000 0.883 358 D CB 0.714 41.718 40.800 0.341 0.000 1.149 358 D HN 0.799 nan 8.370 nan 0.000 0.488 359 A N 3.181 126.308 122.820 0.512 0.000 2.610 359 A HA 0.150 4.468 4.320 -0.002 0.000 0.286 359 A C 1.784 179.618 177.584 0.416 0.000 1.306 359 A CA 0.295 52.623 52.037 0.486 0.000 0.942 359 A CB -0.451 18.644 19.000 0.159 0.000 1.112 359 A HN 0.554 nan 8.150 nan 0.000 0.527 360 S N -0.701 115.278 115.700 0.467 0.000 2.402 360 S HA -0.133 4.335 4.470 -0.002 0.000 0.233 360 S C 1.709 176.379 174.600 0.117 0.000 1.030 360 S CA 1.455 59.857 58.200 0.336 0.000 1.003 360 S CB -0.712 62.698 63.200 0.350 0.000 0.813 360 S HN 0.767 nan 8.310 nan 0.000 0.477 361 G N -0.832 107.972 108.800 0.006 0.000 2.956 361 G HA2 0.081 4.040 3.960 -0.002 0.000 0.207 361 G HA3 0.081 4.040 3.960 -0.002 0.000 0.207 361 G C 0.617 175.243 174.900 -0.456 0.000 1.162 361 G CA -0.058 44.872 45.100 -0.283 0.000 0.796 361 G HN 0.623 nan 8.290 nan 0.000 0.527 362 W N -0.706 120.507 121.300 -0.144 0.000 2.534 362 W HA 0.379 5.037 4.660 -0.002 0.000 0.339 362 W C 0.764 177.026 176.519 -0.428 0.000 0.961 362 W CA -0.334 56.742 57.345 -0.450 0.000 1.545 362 W CB 0.328 29.254 29.460 -0.890 0.000 1.104 362 W HN 0.070 nan 8.180 nan 0.000 0.538 363 L N 0.901 122.092 121.223 -0.052 0.000 2.818 363 L HA 0.084 4.423 4.340 -0.002 0.000 0.243 363 L C 1.887 178.832 176.870 0.126 0.000 1.185 363 L CA -0.178 54.657 54.840 -0.009 0.000 0.988 363 L CB -0.058 41.894 42.059 -0.177 0.000 1.292 363 L HN -0.237 nan 8.230 nan 0.000 0.519 364 M N -0.545 119.028 119.600 -0.044 0.000 2.296 364 M HA 0.126 4.605 4.480 -0.002 0.000 0.265 364 M C 1.782 177.823 176.300 -0.431 0.000 1.064 364 M CA 1.223 56.475 55.300 -0.079 0.000 1.109 364 M CB -1.024 31.526 32.600 -0.085 0.000 1.396 364 M HN 0.381 nan 8.290 nan 0.000 0.430 365 G N 0.760 108.913 108.800 -1.078 0.000 2.201 365 G HA2 -0.218 3.740 3.960 -0.002 0.000 0.212 365 G HA3 -0.218 3.740 3.960 -0.002 0.000 0.212 365 G C 0.424 174.951 174.900 -0.623 0.000 0.994 365 G CA 0.489 44.663 45.100 -1.544 0.000 0.644 365 G HN 0.528 nan 8.290 nan 0.000 0.508 366 D N -0.250 119.932 120.400 -0.364 0.000 2.392 366 D HA 0.176 4.815 4.640 -0.002 0.000 0.206 366 D C 1.842 178.077 176.300 -0.109 0.000 1.046 366 D CA 1.120 55.014 54.000 -0.177 0.000 0.865 366 D CB -0.136 40.606 40.800 -0.097 0.000 0.969 366 D HN 0.519 nan 8.370 nan 0.000 0.509 367 Q N -0.854 118.848 119.800 -0.163 0.000 2.627 367 Q HA 0.326 4.664 4.340 -0.002 0.000 0.201 367 Q C 0.127 176.132 176.000 0.009 0.000 0.912 367 Q CA 0.269 56.024 55.803 -0.080 0.000 0.877 367 Q CB 0.867 29.512 28.738 -0.155 0.000 1.125 367 Q HN 0.169 nan 8.270 nan 0.000 0.637 368 F N 0.025 119.948 119.950 -0.044 0.000 2.654 368 F HA 0.316 4.842 4.527 -0.002 0.000 0.334 368 F C 0.546 176.311 175.800 -0.059 0.000 1.078 368 F CA -1.197 56.753 58.000 -0.083 0.000 0.986 368 F CB 1.379 40.264 39.000 -0.193 0.000 1.362 368 F HN -0.035 nan 8.300 nan 0.000 0.498 369 D N -0.261 120.245 120.400 0.177 0.000 2.301 369 D HA 0.048 4.687 4.640 -0.002 0.000 0.206 369 D C 0.170 176.474 176.300 0.006 0.000 0.979 369 D CA 0.868 54.967 54.000 0.164 0.000 0.874 369 D CB 0.611 41.432 40.800 0.036 0.000 0.968 369 D HN 0.406 nan 8.370 nan 0.000 0.510 370 S N -0.354 115.268 115.700 -0.130 0.000 2.615 370 S HA 0.470 4.939 4.470 -0.002 0.000 0.268 370 S C -0.622 173.787 174.600 -0.319 0.000 1.146 370 S CA -0.982 57.063 58.200 -0.259 0.000 0.818 370 S CB 1.908 64.883 63.200 -0.376 0.000 1.111 370 S HN -0.033 nan 8.310 nan 0.000 0.465 371 V N -1.436 118.287 119.914 -0.318 0.000 3.234 371 V HA 0.703 4.822 4.120 -0.002 0.000 0.317 371 V C 0.053 175.983 176.094 -0.273 0.000 1.147 371 V CA -1.387 60.711 62.300 -0.337 0.000 1.037 371 V CB 1.046 32.706 31.823 -0.270 0.000 1.148 371 V HN 0.916 nan 8.190 nan 0.000 0.455 372 M N 3.134 122.581 119.600 -0.254 0.000 2.188 372 M HA 0.266 4.744 4.480 -0.002 0.000 0.354 372 M C 0.049 176.465 176.300 0.193 0.000 1.342 372 M CA 0.195 55.498 55.300 0.006 0.000 1.117 372 M CB -0.332 32.228 32.600 -0.068 0.000 1.670 372 M HN 0.875 nan 8.290 nan 0.000 0.466 373 N N 3.943 122.772 118.700 0.215 0.000 2.605 373 N HA -0.007 4.732 4.740 -0.002 0.000 0.258 373 N C 0.550 176.264 175.510 0.338 0.000 1.156 373 N CA -0.054 53.115 53.050 0.199 0.000 1.008 373 N CB -0.125 38.432 38.487 0.117 0.000 1.354 373 N HN 0.512 nan 8.380 nan 0.000 0.509 374 Y N 1.278 121.820 120.300 0.403 0.000 2.403 374 Y HA -0.085 4.463 4.550 -0.002 0.000 0.291 374 Y C 1.223 177.261 175.900 0.230 0.000 1.143 374 Y CA 0.142 58.447 58.100 0.342 0.000 1.257 374 Y CB -0.013 38.653 38.460 0.344 0.000 0.984 374 Y HN 0.168 nan 8.280 nan 0.000 0.550 375 L N 0.271 121.350 121.223 -0.239 0.000 1.961 375 L HA -0.171 4.168 4.340 -0.002 0.000 0.210 375 L C 2.412 179.336 176.870 0.089 0.000 1.072 375 L CA 1.692 56.444 54.840 -0.147 0.000 0.749 375 L CB -1.932 39.996 42.059 -0.218 0.000 0.889 375 L HN 0.372 nan 8.230 nan 0.000 0.432 376 F N 1.473 121.436 119.950 0.021 0.000 2.063 376 F HA -0.378 4.148 4.527 -0.002 0.000 0.298 376 F C 2.881 178.763 175.800 0.137 0.000 1.105 376 F CA 2.406 60.472 58.000 0.110 0.000 1.215 376 F CB -0.280 38.808 39.000 0.146 0.000 0.972 376 F HN 0.166 nan 8.300 nan 0.000 0.483 377 R N 0.947 121.695 120.500 0.414 0.000 2.094 377 R HA -0.263 4.076 4.340 -0.002 0.000 0.239 377 R C 2.030 178.424 176.300 0.157 0.000 1.137 377 R CA 2.412 58.669 56.100 0.263 0.000 0.943 377 R CB -1.229 29.206 30.300 0.225 0.000 0.850 377 R HN 0.606 nan 8.270 nan 0.000 0.433 378 E N 0.043 120.329 120.200 0.143 0.000 2.158 378 E HA -0.035 4.314 4.350 -0.002 0.000 0.191 378 E C 1.807 178.448 176.600 0.069 0.000 0.982 378 E CA 1.163 57.625 56.400 0.103 0.000 0.823 378 E CB -0.036 29.726 29.700 0.103 0.000 0.766 378 E HN 0.349 nan 8.360 nan 0.000 0.468 379 S N 1.271 116.994 115.700 0.038 0.000 2.371 379 S HA -0.117 4.351 4.470 -0.002 0.000 0.224 379 S C 2.328 177.021 174.600 0.155 0.000 1.029 379 S CA 1.274 59.500 58.200 0.043 0.000 0.978 379 S CB -0.197 62.938 63.200 -0.108 0.000 0.833 379 S HN 0.424 nan 8.310 nan 0.000 0.466 380 V N 0.203 120.155 119.914 0.064 0.000 2.453 380 V HA -0.016 4.102 4.120 -0.002 0.000 0.247 380 V C 1.946 178.137 176.094 0.161 0.000 1.048 380 V CA 1.159 63.479 62.300 0.034 0.000 1.049 380 V CB -0.887 30.993 31.823 0.095 0.000 0.672 380 V HN 0.354 nan 8.190 nan 0.000 0.457 381 I N 0.500 121.197 120.570 0.211 0.000 2.194 381 I HA -0.254 3.914 4.170 -0.002 0.000 0.246 381 I C 3.024 179.220 176.117 0.132 0.000 1.093 381 I CA 2.090 63.558 61.300 0.281 0.000 1.355 381 I CB -0.144 37.993 38.000 0.228 0.000 1.046 381 I HN 0.257 nan 8.210 nan 0.000 0.413 382 R N -0.829 119.703 120.500 0.054 0.000 2.062 382 R HA -0.168 4.171 4.340 -0.002 0.000 0.231 382 R C 2.277 178.548 176.300 -0.049 0.000 1.136 382 R CA 1.735 57.837 56.100 0.004 0.000 0.948 382 R CB -0.626 29.672 30.300 -0.004 0.000 0.845 382 R HN 0.229 nan 8.270 nan 0.000 0.430 383 F N 0.518 120.198 119.950 -0.449 0.000 2.084 383 F HA -0.065 4.460 4.527 -0.003 0.000 0.296 383 F C 1.636 177.114 175.800 -0.536 0.000 1.111 383 F CA 1.289 58.834 58.000 -0.759 0.000 1.224 383 F CB -0.290 37.660 39.000 -1.750 0.000 0.991 383 F HN -0.122 nan 8.300 nan 0.000 0.471 384 F N -0.544 119.322 119.950 -0.140 0.000 2.188 384 F HA 0.107 4.632 4.527 -0.002 0.000 0.289 384 F C 2.498 178.245 175.800 -0.088 0.000 1.082 384 F CA 0.705 58.617 58.000 -0.146 0.000 1.282 384 F CB -0.998 38.014 39.000 0.019 0.000 1.060 384 F HN -0.012 nan 8.300 nan 0.000 0.493 385 A N 0.123 123.016 122.820 0.121 0.000 1.861 385 A HA -0.096 4.223 4.320 -0.002 0.000 0.212 385 A C 2.137 179.701 177.584 -0.034 0.000 1.199 385 A CA 1.869 53.882 52.037 -0.040 0.000 0.613 385 A CB -1.296 17.638 19.000 -0.110 0.000 0.846 385 A HN 0.374 nan 8.150 nan 0.000 0.446 386 T N -4.520 110.031 114.554 -0.006 0.000 3.035 386 T HA 0.357 4.706 4.350 -0.002 0.000 0.259 386 T C 1.633 176.324 174.700 -0.015 0.000 1.078 386 T CA 1.264 63.358 62.100 -0.011 0.000 1.132 386 T CB -0.072 68.797 68.868 0.002 0.000 0.900 386 T HN 1.694 nan 8.240 nan 0.000 0.480 387 G N 2.410 111.194 108.800 -0.028 0.000 2.220 387 G HA2 -0.385 3.573 3.960 -0.002 0.000 0.269 387 G HA3 -0.385 3.573 3.960 -0.002 0.000 0.269 387 G C 0.720 175.616 174.900 -0.007 0.000 0.977 387 G CA 0.673 45.754 45.100 -0.032 0.000 0.634 387 G HN 0.825 nan 8.290 nan 0.000 0.539 388 E N 0.218 120.418 120.200 -0.001 0.000 2.516 388 E HA 0.187 4.535 4.350 -0.002 0.000 0.199 388 E C 1.129 177.741 176.600 0.020 0.000 1.069 388 E CA 0.675 57.082 56.400 0.012 0.000 0.876 388 E CB -0.294 29.410 29.700 0.008 0.000 0.843 388 E HN 1.074 nan 8.360 nan 0.000 0.530 389 I N -1.523 119.058 120.570 0.018 0.000 2.722 389 I HA 0.447 4.615 4.170 -0.002 0.000 0.295 389 I C -0.537 175.611 176.117 0.052 0.000 1.161 389 I CA -1.457 59.834 61.300 -0.015 0.000 1.032 389 I CB 1.745 39.680 38.000 -0.107 0.000 1.244 389 I HN -0.036 nan 8.210 nan 0.000 0.421 390 H N 4.115 123.221 119.070 0.059 0.000 2.497 390 H HA 0.752 5.307 4.556 -0.002 0.000 0.348 390 H C 1.209 176.596 175.328 0.098 0.000 1.335 390 H CA -0.278 55.846 56.048 0.127 0.000 1.395 390 H CB 0.831 30.627 29.762 0.057 0.000 1.658 390 H HN 0.740 nan 8.280 nan 0.000 0.613 391 A N 0.235 123.239 122.820 0.306 0.000 1.958 391 A HA -0.267 4.051 4.320 -0.002 0.000 0.221 391 A C 1.911 179.375 177.584 -0.199 0.000 1.178 391 A CA 2.087 54.143 52.037 0.031 0.000 0.642 391 A CB -0.934 18.248 19.000 0.304 0.000 0.816 391 A HN 0.882 nan 8.150 nan 0.000 0.453 392 E N -1.403 118.768 120.200 -0.048 0.000 2.285 392 E HA -0.111 4.238 4.350 -0.002 0.000 0.194 392 E C 2.162 178.583 176.600 -0.298 0.000 0.997 392 E CA 0.742 57.083 56.400 -0.098 0.000 0.845 392 E CB -0.058 29.719 29.700 0.127 0.000 0.782 392 E HN 0.660 nan 8.360 nan 0.000 0.491 393 R N 0.024 120.197 120.500 -0.545 0.000 2.140 393 R HA 0.011 4.349 4.340 -0.002 0.000 0.213 393 R C 1.989 178.061 176.300 -0.379 0.000 1.059 393 R CA 0.168 56.017 56.100 -0.418 0.000 1.000 393 R CB -0.050 29.992 30.300 -0.430 0.000 0.910 393 R HN 0.101 nan 8.270 nan 0.000 0.455 394 F N 1.668 121.167 119.950 -0.752 0.000 2.046 394 F HA -0.303 4.223 4.527 -0.002 0.000 0.297 394 F C 2.143 177.426 175.800 -0.861 0.000 1.123 394 F CA 1.908 59.329 58.000 -0.965 0.000 1.199 394 F CB -0.215 37.760 39.000 -1.708 0.000 0.972 394 F HN 0.109 nan 8.300 nan 0.000 0.474 395 D N 0.511 120.400 120.400 -0.852 0.000 2.157 395 D HA -0.274 4.365 4.640 -0.002 0.000 0.191 395 D C 2.144 178.219 176.300 -0.375 0.000 1.004 395 D CA 1.752 55.354 54.000 -0.662 0.000 0.854 395 D CB -0.497 40.102 40.800 -0.336 0.000 0.936 395 D HN 0.359 nan 8.370 nan 0.000 0.446 396 A N 0.397 123.047 122.820 -0.283 0.000 1.933 396 A HA -0.175 4.144 4.320 -0.002 0.000 0.218 396 A C 2.175 179.650 177.584 -0.181 0.000 1.175 396 A CA 1.703 53.637 52.037 -0.171 0.000 0.628 396 A CB -0.512 18.414 19.000 -0.124 0.000 0.814 396 A HN 0.373 nan 8.150 nan 0.000 0.444 397 E N -0.621 119.425 120.200 -0.257 0.000 2.072 397 E HA -0.139 4.209 4.350 -0.002 0.000 0.191 397 E C 1.855 178.302 176.600 -0.255 0.000 0.985 397 E CA 0.912 57.180 56.400 -0.220 0.000 0.801 397 E CB -0.253 29.315 29.700 -0.219 0.000 0.750 397 E HN 0.400 nan 8.360 nan 0.000 0.452 398 L N 0.896 121.877 121.223 -0.404 0.000 1.989 398 L HA -0.194 4.145 4.340 -0.002 0.000 0.211 398 L C 2.472 179.247 176.870 -0.158 0.000 1.071 398 L CA 1.905 56.546 54.840 -0.331 0.000 0.749 398 L CB -1.179 40.558 42.059 -0.537 0.000 0.890 398 L HN 0.113 nan 8.230 nan 0.000 0.431 399 T N -1.119 113.344 114.554 -0.152 0.000 2.746 399 T HA -0.199 4.150 4.350 -0.002 0.000 0.267 399 T C 2.059 176.672 174.700 -0.144 0.000 1.039 399 T CA 1.035 63.067 62.100 -0.114 0.000 1.142 399 T CB -0.166 68.675 68.868 -0.045 0.000 0.866 399 T HN 0.205 nan 8.240 nan 0.000 0.444 400 R N 0.807 121.257 120.500 -0.083 0.000 2.193 400 R HA 0.036 4.374 4.340 -0.002 0.000 0.229 400 R C 2.143 178.355 176.300 -0.148 0.000 1.110 400 R CA 1.206 57.276 56.100 -0.050 0.000 0.988 400 R CB -0.229 30.078 30.300 0.011 0.000 0.871 400 R HN 0.396 nan 8.270 nan 0.000 0.458 401 A N 0.976 123.695 122.820 -0.168 0.000 2.115 401 A HA -0.038 4.280 4.320 -0.002 0.000 0.211 401 A C 1.758 179.202 177.584 -0.233 0.000 1.169 401 A CA 0.243 52.160 52.037 -0.199 0.000 0.787 401 A CB -0.016 18.902 19.000 -0.136 0.000 0.858 401 A HN 0.418 nan 8.150 nan 0.000 0.474 402 R N -1.241 119.138 120.500 -0.202 0.000 2.356 402 R HA 0.329 4.668 4.340 -0.002 0.000 0.234 402 R C 0.595 176.724 176.300 -0.285 0.000 0.929 402 R CA 0.321 56.300 56.100 -0.202 0.000 1.084 402 R CB -0.003 30.211 30.300 -0.143 0.000 1.105 402 R HN 0.277 nan 8.270 nan 0.000 0.515 403 M N -0.142 119.220 119.600 -0.396 0.000 2.300 403 M HA 0.131 4.610 4.480 -0.002 0.000 0.313 403 M C 0.673 176.703 176.300 -0.450 0.000 0.988 403 M CA -0.016 54.983 55.300 -0.501 0.000 1.012 403 M CB 0.535 32.588 32.600 -0.911 0.000 1.586 403 M HN 0.192 nan 8.290 nan 0.000 0.562 404 L N -0.148 120.787 121.223 -0.480 0.000 2.156 404 L HA 0.035 4.374 4.340 -0.002 0.000 0.208 404 L C 0.124 176.661 176.870 -0.556 0.000 1.095 404 L CA 1.569 56.040 54.840 -0.614 0.000 0.770 404 L CB -0.232 41.218 42.059 -1.016 0.000 0.914 404 L HN 0.137 nan 8.230 nan 0.000 0.439 405 Y N -2.377 117.850 120.300 -0.122 0.000 2.605 405 Y HA 0.445 4.994 4.550 -0.002 0.000 0.343 405 Y C -2.055 173.735 175.900 -0.184 0.000 1.036 405 Y CA -2.949 55.086 58.100 -0.109 0.000 1.065 405 Y CB 0.491 38.891 38.460 -0.100 0.000 1.288 405 Y HN -0.242 nan 8.280 nan 0.000 0.481 406 P HA -0.043 nan 4.420 nan 0.000 0.269 406 P C 0.436 177.454 177.300 -0.471 0.000 1.217 406 P CA 0.113 62.856 63.100 -0.595 0.000 0.783 406 P CB 0.600 31.766 31.700 -0.890 0.000 0.898 407 E N 1.217 121.176 120.200 -0.401 0.000 2.110 407 E HA -0.287 4.061 4.350 -0.002 0.000 0.193 407 E C 1.101 177.479 176.600 -0.371 0.000 0.988 407 E CA 1.406 57.657 56.400 -0.248 0.000 0.804 407 E CB -0.521 29.125 29.700 -0.090 0.000 0.745 407 E HN 0.415 nan 8.360 nan 0.000 0.458 408 Q N 1.133 120.591 119.800 -0.570 0.000 2.119 408 Q HA -0.023 4.316 4.340 -0.002 0.000 0.201 408 Q C 2.239 177.779 176.000 -0.766 0.000 0.972 408 Q CA 1.919 57.305 55.803 -0.695 0.000 0.847 408 Q CB -0.274 27.909 28.738 -0.924 0.000 0.903 408 Q HN 0.474 nan 8.270 nan 0.000 0.433 409 A N 0.568 122.895 122.820 -0.821 0.000 2.014 409 A HA 0.048 4.367 4.320 -0.002 0.000 0.218 409 A C 2.192 179.606 177.584 -0.284 0.000 1.163 409 A CA 1.355 53.099 52.037 -0.488 0.000 0.652 409 A CB -0.629 18.211 19.000 -0.267 0.000 0.808 409 A HN 0.364 nan 8.150 nan 0.000 0.449 410 A N 0.136 122.814 122.820 -0.237 0.000 1.970 410 A HA -0.079 4.240 4.320 -0.002 0.000 0.216 410 A C 2.057 179.512 177.584 -0.214 0.000 1.170 410 A CA 1.340 53.279 52.037 -0.162 0.000 0.645 410 A CB -0.474 18.439 19.000 -0.146 0.000 0.816 410 A HN 0.728 nan 8.150 nan 0.000 0.447 411 Q N -0.798 118.855 119.800 -0.245 0.000 2.444 411 Q HA 0.210 4.549 4.340 -0.002 0.000 0.206 411 Q C 1.024 176.896 176.000 -0.214 0.000 0.948 411 Q CA 0.969 56.633 55.803 -0.231 0.000 0.946 411 Q CB -0.168 28.444 28.738 -0.211 0.000 1.027 411 Q HN 0.361 nan 8.270 nan 0.000 0.513 412 G N 0.348 109.012 108.800 -0.226 0.000 3.274 412 G HA2 0.222 4.181 3.960 -0.002 0.000 0.250 412 G HA3 0.222 4.181 3.960 -0.002 0.000 0.250 412 G C 0.087 174.845 174.900 -0.237 0.000 1.024 412 G CA -0.510 44.460 45.100 -0.216 0.000 0.840 412 G HN 0.190 nan 8.290 nan 0.000 0.522 413 L N 1.586 122.676 121.223 -0.220 0.000 2.559 413 L HA 0.026 4.365 4.340 -0.002 0.000 0.282 413 L C 0.215 177.028 176.870 -0.095 0.000 1.232 413 L CA -0.492 54.226 54.840 -0.203 0.000 0.885 413 L CB 0.395 42.386 42.059 -0.112 0.000 1.131 413 L HN 0.176 nan 8.230 nan 0.000 0.498 414 W N 3.706 124.913 121.300 -0.155 0.000 2.546 414 W HA 0.083 4.742 4.660 -0.003 0.000 0.323 414 W C 0.269 176.694 176.519 -0.157 0.000 1.272 414 W CA -0.905 56.352 57.345 -0.147 0.000 1.404 414 W CB -0.603 28.782 29.460 -0.124 0.000 1.411 414 W HN 0.434 nan 8.180 nan 0.000 0.480 415 N N 5.089 123.723 118.700 -0.110 0.000 2.739 415 N HA 0.074 4.813 4.740 -0.002 0.000 0.266 415 N C 0.023 175.376 175.510 -0.261 0.000 1.168 415 N CA 0.038 52.815 53.050 -0.456 0.000 1.055 415 N CB 0.060 37.869 38.487 -1.131 0.000 1.393 415 N HN 0.344 nan 8.380 nan 0.000 0.514 416 L N -1.331 119.886 121.223 -0.009 0.000 2.379 416 L HA 0.507 4.846 4.340 -0.002 0.000 0.269 416 L C 0.400 177.347 176.870 0.127 0.000 1.084 416 L CA -0.683 54.188 54.840 0.051 0.000 0.802 416 L CB 1.004 43.127 42.059 0.107 0.000 1.175 416 L HN 0.150 nan 8.230 nan 0.000 0.448 417 L N 0.305 121.549 121.223 0.034 0.000 2.575 417 L HA 0.333 4.672 4.340 -0.002 0.000 0.228 417 L C -0.566 176.273 176.870 -0.053 0.000 1.075 417 L CA 0.052 54.826 54.840 -0.110 0.000 0.867 417 L CB 0.071 41.835 42.059 -0.491 0.000 1.097 417 L HN 0.847 nan 8.230 nan 0.000 0.485 418 D N -2.618 117.767 120.400 -0.024 0.000 2.622 418 D HA 0.508 5.147 4.640 -0.002 0.000 0.255 418 D C -0.763 175.383 176.300 -0.257 0.000 1.246 418 D CA -0.578 53.372 54.000 -0.084 0.000 0.795 418 D CB 1.602 42.374 40.800 -0.047 0.000 1.369 418 D HN -0.185 nan 8.370 nan 0.000 0.425 419 S N -1.681 113.790 115.700 -0.382 0.000 2.661 419 S HA 0.312 4.781 4.470 -0.002 0.000 0.285 419 S C 0.437 174.669 174.600 -0.614 0.000 1.138 419 S CA -0.712 57.206 58.200 -0.470 0.000 0.855 419 S CB 0.715 63.748 63.200 -0.279 0.000 1.136 419 S HN 0.679 nan 8.310 nan 0.000 0.484 420 H N 0.866 119.706 119.070 -0.383 0.000 2.560 420 H HA 0.051 4.606 4.556 -0.002 0.000 0.283 420 H C -0.212 175.061 175.328 -0.091 0.000 1.028 420 H CA 1.384 57.351 56.048 -0.135 0.000 1.221 420 H CB -0.377 29.366 29.762 -0.030 0.000 1.363 420 H HN 0.551 nan 8.280 nan 0.000 0.594 421 D N 0.795 120.874 120.400 -0.536 0.000 2.407 421 D HA 0.042 4.681 4.640 -0.002 0.000 0.208 421 D C 0.994 177.175 176.300 -0.198 0.000 1.083 421 D CA 0.493 54.320 54.000 -0.289 0.000 0.844 421 D CB 0.487 41.102 40.800 -0.309 0.000 0.967 421 D HN 0.488 nan 8.370 nan 0.000 0.506 422 T N -2.003 112.420 114.554 -0.218 0.000 2.922 422 T HA 0.550 4.899 4.350 -0.002 0.000 0.281 422 T C 0.240 174.891 174.700 -0.081 0.000 1.005 422 T CA -0.916 61.100 62.100 -0.140 0.000 0.982 422 T CB 1.546 70.329 68.868 -0.141 0.000 1.158 422 T HN -0.305 nan 8.240 nan 0.000 0.566 423 E N 0.375 120.555 120.200 -0.033 0.000 2.408 423 E HA 0.344 4.693 4.350 -0.002 0.000 0.259 423 E C -0.045 176.581 176.600 0.042 0.000 1.110 423 E CA -0.338 56.065 56.400 0.005 0.000 0.929 423 E CB 0.282 29.991 29.700 0.016 0.000 0.971 423 E HN 0.580 nan 8.360 nan 0.000 0.438 424 R N 1.318 121.858 120.500 0.066 0.000 2.308 424 R HA 0.122 4.461 4.340 -0.002 0.000 0.305 424 R C 0.424 176.851 176.300 0.211 0.000 1.053 424 R CA -0.268 55.912 56.100 0.133 0.000 0.957 424 R CB 0.139 30.503 30.300 0.108 0.000 1.022 424 R HN 0.575 nan 8.270 nan 0.000 0.461 425 F N 3.896 123.941 119.950 0.159 0.000 2.184 425 F HA -0.261 4.265 4.527 -0.002 0.000 0.301 425 F C 1.355 177.314 175.800 0.265 0.000 1.076 425 F CA 1.498 59.637 58.000 0.232 0.000 1.295 425 F CB -0.080 39.108 39.000 0.315 0.000 1.026 425 F HN 0.607 nan 8.300 nan 0.000 0.494 426 L N -0.035 121.284 121.223 0.159 0.000 2.027 426 L HA -0.173 4.165 4.340 -0.002 0.000 0.206 426 L C 2.331 179.121 176.870 -0.134 0.000 1.074 426 L CA 2.336 57.107 54.840 -0.115 0.000 0.745 426 L CB -1.473 40.415 42.059 -0.284 0.000 0.898 426 L HN 0.081 nan 8.230 nan 0.000 0.433 427 T N -1.146 113.366 114.554 -0.070 0.000 2.946 427 T HA -0.125 4.224 4.350 -0.002 0.000 0.271 427 T C 1.930 176.581 174.700 -0.082 0.000 1.104 427 T CA 1.393 63.453 62.100 -0.067 0.000 1.114 427 T CB -0.158 68.692 68.868 -0.031 0.000 0.867 427 T HN 0.368 nan 8.240 nan 0.000 0.513 428 S N -0.088 115.540 115.700 -0.120 0.000 2.427 428 S HA -0.011 4.458 4.470 -0.002 0.000 0.224 428 S C 2.160 176.635 174.600 -0.209 0.000 1.047 428 S CA -0.002 58.126 58.200 -0.120 0.000 0.953 428 S CB -0.470 62.696 63.200 -0.057 0.000 0.824 428 S HN 0.613 nan 8.310 nan 0.000 0.502 429 C N 1.929 120.994 119.300 -0.392 0.000 2.399 429 C HA 0.115 4.573 4.460 -0.002 0.000 0.296 429 C C 2.037 176.912 174.990 -0.193 0.000 1.415 429 C CA 0.824 59.625 59.018 -0.360 0.000 1.798 429 C CB -1.896 25.579 27.740 -0.441 0.000 1.802 429 C HN 0.811 nan 8.230 nan 0.000 0.549 430 G N -1.240 107.469 108.800 -0.152 0.000 2.159 430 G HA2 0.015 3.974 3.960 -0.002 0.000 0.256 430 G HA3 0.015 3.974 3.960 -0.002 0.000 0.256 430 G C 1.174 176.009 174.900 -0.109 0.000 0.977 430 G CA 0.838 45.873 45.100 -0.107 0.000 0.652 430 G HN 1.766 nan 8.290 nan 0.000 0.531 431 G N -0.815 107.903 108.800 -0.137 0.000 2.195 431 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.246 431 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.246 431 G C 0.210 175.020 174.900 -0.150 0.000 0.984 431 G CA 0.796 45.812 45.100 -0.140 0.000 0.633 431 G HN 1.434 nan 8.290 nan 0.000 0.525 432 N N 1.336 119.946 118.700 -0.149 0.000 2.406 432 N HA 0.132 4.871 4.740 -0.002 0.000 0.265 432 N C 1.237 176.644 175.510 -0.171 0.000 1.203 432 N CA 0.685 53.639 53.050 -0.160 0.000 0.945 432 N CB 0.612 38.992 38.487 -0.179 0.000 1.165 432 N HN 0.635 nan 8.380 nan 0.000 0.485 433 E N 3.339 123.440 120.200 -0.164 0.000 2.267 433 E HA -0.180 4.168 4.350 -0.002 0.000 0.197 433 E C 1.256 177.785 176.600 -0.119 0.000 0.998 433 E CA 0.987 57.303 56.400 -0.141 0.000 0.830 433 E CB 0.164 29.786 29.700 -0.130 0.000 0.751 433 E HN 0.707 nan 8.360 nan 0.000 0.491 434 A N 0.802 123.486 122.820 -0.226 0.000 2.014 434 A HA -0.099 4.220 4.320 -0.002 0.000 0.218 434 A C 1.934 179.239 177.584 -0.465 0.000 1.163 434 A CA 1.014 52.849 52.037 -0.337 0.000 0.652 434 A CB -0.080 18.665 19.000 -0.426 0.000 0.808 434 A HN 0.108 nan 8.150 nan 0.000 0.449 435 K N -1.589 118.543 120.400 -0.447 0.000 2.076 435 K HA 0.029 4.347 4.320 -0.002 0.000 0.204 435 K C 1.734 178.273 176.600 -0.102 0.000 1.051 435 K CA 1.146 57.208 56.287 -0.375 0.000 0.949 435 K CB -0.289 32.062 32.500 -0.250 0.000 0.726 435 K HN 0.456 nan 8.250 nan 0.000 0.443 436 F N 2.463 122.312 119.950 -0.168 0.000 2.025 436 F HA -0.262 4.263 4.527 -0.003 0.000 0.297 436 F C 2.306 178.126 175.800 0.033 0.000 1.132 436 F CA 1.588 59.600 58.000 0.020 0.000 1.191 436 F CB -0.082 38.940 39.000 0.037 0.000 0.963 436 F HN -0.124 nan 8.300 nan 0.000 0.481 437 R N -0.227 120.444 120.500 0.285 0.000 2.134 437 R HA -0.258 4.081 4.340 -0.002 0.000 0.248 437 R C 2.089 178.430 176.300 0.067 0.000 1.143 437 R CA 1.919 58.117 56.100 0.162 0.000 0.957 437 R CB -1.038 29.129 30.300 -0.222 0.000 0.867 437 R HN 0.324 nan 8.270 nan 0.000 0.441 438 L N 0.362 121.525 121.223 -0.099 0.000 2.083 438 L HA -0.076 4.262 4.340 -0.002 0.000 0.209 438 L C 2.137 178.719 176.870 -0.480 0.000 1.083 438 L CA 1.852 56.573 54.840 -0.198 0.000 0.752 438 L CB -0.720 41.219 42.059 -0.200 0.000 0.899 438 L HN 0.162 nan 8.230 nan 0.000 0.433 439 A N -2.189 120.260 122.820 -0.618 0.000 2.168 439 A HA 0.003 4.322 4.320 -0.002 0.000 0.215 439 A C 2.150 179.631 177.584 -0.171 0.000 1.152 439 A CA 1.183 52.837 52.037 -0.639 0.000 0.716 439 A CB -0.375 18.560 19.000 -0.108 0.000 0.794 439 A HN 0.259 nan 8.150 nan 0.000 0.465 440 V N -0.938 118.853 119.914 -0.204 0.000 2.949 440 V HA -0.023 4.096 4.120 -0.002 0.000 0.245 440 V C 2.214 178.222 176.094 -0.143 0.000 1.086 440 V CA 1.083 63.225 62.300 -0.263 0.000 1.097 440 V CB -0.074 31.420 31.823 -0.549 0.000 0.762 440 V HN 0.636 nan 8.190 nan 0.000 0.470 441 L N -0.796 120.422 121.223 -0.008 0.000 2.141 441 L HA -0.149 4.190 4.340 -0.002 0.000 0.209 441 L C 2.139 179.114 176.870 0.175 0.000 1.094 441 L CA 1.878 56.750 54.840 0.053 0.000 0.763 441 L CB -0.255 41.907 42.059 0.171 0.000 0.908 441 L HN 0.377 nan 8.230 nan 0.000 0.437 442 F N -0.007 120.013 119.950 0.117 0.000 2.053 442 F HA -0.249 4.276 4.527 -0.002 0.000 0.292 442 F C 2.682 178.735 175.800 0.422 0.000 1.125 442 F CA 1.871 60.091 58.000 0.368 0.000 1.193 442 F CB -0.291 38.989 39.000 0.467 0.000 0.996 442 F HN 0.094 nan 8.300 nan 0.000 0.470 443 Q N -0.085 119.886 119.800 0.286 0.000 2.133 443 Q HA -0.254 4.084 4.340 -0.002 0.000 0.208 443 Q C 1.973 177.953 176.000 -0.032 0.000 0.991 443 Q CA 1.990 57.905 55.803 0.186 0.000 0.867 443 Q CB -0.110 28.749 28.738 0.200 0.000 0.911 443 Q HN 0.400 nan 8.270 nan 0.000 0.417 444 M N -0.266 119.307 119.600 -0.045 0.000 2.476 444 M HA -0.047 4.432 4.480 -0.002 0.000 0.262 444 M C 1.941 178.211 176.300 -0.049 0.000 1.079 444 M CA 1.507 56.750 55.300 -0.095 0.000 1.104 444 M CB -0.558 31.941 32.600 -0.167 0.000 1.409 444 M HN 0.356 nan 8.290 nan 0.000 0.467 445 T N -4.194 110.387 114.554 0.045 0.000 2.990 445 T HA 0.056 4.405 4.350 -0.002 0.000 0.249 445 T C 0.676 175.459 174.700 0.139 0.000 1.039 445 T CA -0.297 61.883 62.100 0.132 0.000 1.036 445 T CB -0.216 68.804 68.868 0.253 0.000 0.994 445 T HN 0.073 nan 8.240 nan 0.000 0.489 446 Y N 1.840 122.038 120.300 -0.169 0.000 2.459 446 Y HA 0.438 4.987 4.550 -0.002 0.000 0.349 446 Y C 0.319 176.073 175.900 -0.244 0.000 1.266 446 Y CA -2.050 55.843 58.100 -0.345 0.000 1.483 446 Y CB 0.305 38.323 38.460 -0.736 0.000 1.362 446 Y HN 0.189 nan 8.280 nan 0.000 0.628 447 L N 3.633 124.277 121.223 -0.964 0.000 2.410 447 L HA 0.496 4.835 4.340 -0.002 0.000 0.273 447 L C 0.253 176.810 176.870 -0.522 0.000 1.144 447 L CA 1.231 55.676 54.840 -0.658 0.000 0.863 447 L CB -0.315 41.281 42.059 -0.772 0.000 1.140 447 L HN 0.798 nan 8.230 nan 0.000 0.463 448 G N 2.622 111.226 108.800 -0.326 0.000 2.359 448 G HA2 0.074 4.033 3.960 -0.002 0.000 0.303 448 G HA3 0.074 4.033 3.960 -0.002 0.000 0.303 448 G C -1.054 173.737 174.900 -0.183 0.000 1.293 448 G CA -0.494 44.459 45.100 -0.246 0.000 0.964 448 G HN 0.592 nan 8.290 nan 0.000 0.531 449 T N 2.626 117.123 114.554 -0.095 0.000 2.771 449 T HA 0.619 4.967 4.350 -0.002 0.000 0.281 449 T C -2.671 171.980 174.700 -0.081 0.000 0.982 449 T CA -0.838 61.251 62.100 -0.018 0.000 0.978 449 T CB 1.937 70.920 68.868 0.192 0.000 0.930 449 T HN 0.345 nan 8.240 nan 0.000 0.447 450 P HA 0.190 nan 4.420 nan 0.000 0.270 450 P C -0.869 176.339 177.300 -0.153 0.000 1.242 450 P CA -0.524 62.486 63.100 -0.149 0.000 0.768 450 P CB 0.298 31.931 31.700 -0.112 0.000 0.820 451 L N 6.327 127.451 121.223 -0.164 0.000 2.262 451 L HA 0.390 4.729 4.340 -0.002 0.000 0.288 451 L C -0.575 176.247 176.870 -0.079 0.000 1.035 451 L CA -0.289 54.441 54.840 -0.183 0.000 0.820 451 L CB 0.097 42.028 42.059 -0.214 0.000 1.204 451 L HN 0.262 nan 8.230 nan 0.000 0.424 452 I N 4.910 125.422 120.570 -0.098 0.000 2.472 452 I HA 0.159 4.328 4.170 -0.002 0.000 0.290 452 I C -0.522 175.506 176.117 -0.148 0.000 1.016 452 I CA -0.586 60.654 61.300 -0.101 0.000 1.348 452 I CB 1.028 38.924 38.000 -0.173 0.000 1.417 452 I HN 0.521 nan 8.210 nan 0.000 0.521 453 Y N 6.477 126.643 120.300 -0.223 0.000 2.392 453 Y HA 0.241 4.790 4.550 -0.002 0.000 0.323 453 Y C -0.287 175.402 175.900 -0.351 0.000 1.291 453 Y CA -1.663 56.313 58.100 -0.206 0.000 1.345 453 Y CB 0.790 39.191 38.460 -0.099 0.000 1.320 453 Y HN 0.403 nan 8.280 nan 0.000 0.518 454 Y N 1.623 121.517 120.300 -0.676 0.000 2.587 454 Y HA 0.477 5.026 4.550 -0.002 0.000 0.344 454 Y C 0.757 176.518 175.900 -0.232 0.000 1.061 454 Y CA -0.086 57.815 58.100 -0.332 0.000 1.370 454 Y CB 0.153 38.725 38.460 0.188 0.000 1.163 454 Y HN 0.787 nan 8.280 nan 0.000 0.527 455 G N 3.185 111.894 108.800 -0.151 0.000 2.352 455 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.204 455 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.204 455 G C 0.514 175.350 174.900 -0.107 0.000 1.004 455 G CA 0.097 45.082 45.100 -0.191 0.000 0.648 455 G HN 0.553 nan 8.290 nan 0.000 0.491 456 D N 1.222 121.594 120.400 -0.047 0.000 2.392 456 D HA 0.197 4.836 4.640 -0.002 0.000 0.228 456 D C 1.992 178.331 176.300 0.063 0.000 1.003 456 D CA 1.227 55.316 54.000 0.149 0.000 0.917 456 D CB 0.019 41.071 40.800 0.420 0.000 0.890 456 D HN 0.633 nan 8.370 nan 0.000 0.532 457 E N -0.238 119.862 120.200 -0.166 0.000 2.318 457 E HA 0.009 4.358 4.350 -0.002 0.000 0.193 457 E C 1.506 178.189 176.600 0.137 0.000 0.998 457 E CA 0.333 56.591 56.400 -0.236 0.000 0.859 457 E CB -0.157 29.566 29.700 0.038 0.000 0.812 457 E HN 0.438 nan 8.360 nan 0.000 0.492 458 I N -3.115 117.489 120.570 0.056 0.000 3.904 458 I HA 0.504 4.672 4.170 -0.002 0.000 0.333 458 I C 1.178 177.277 176.117 -0.030 0.000 1.361 458 I CA 0.077 61.384 61.300 0.012 0.000 1.116 458 I CB 0.254 38.199 38.000 -0.091 0.000 1.028 458 I HN 0.042 nan 8.210 nan 0.000 0.398 459 G N 1.134 109.913 108.800 -0.036 0.000 2.147 459 G HA2 -0.293 3.665 3.960 -0.002 0.000 0.244 459 G HA3 -0.293 3.665 3.960 -0.002 0.000 0.244 459 G C 0.257 175.066 174.900 -0.153 0.000 1.005 459 G CA 0.125 45.139 45.100 -0.143 0.000 0.713 459 G HN 0.428 nan 8.290 nan 0.000 0.515 460 M N 1.086 120.613 119.600 -0.121 0.000 2.427 460 M HA 0.373 4.852 4.480 -0.002 0.000 0.345 460 M C 1.056 177.295 176.300 -0.102 0.000 1.653 460 M CA 0.778 56.004 55.300 -0.123 0.000 1.138 460 M CB 0.388 32.896 32.600 -0.154 0.000 1.995 460 M HN 0.524 nan 8.290 nan 0.000 0.459 461 A N 3.525 126.283 122.820 -0.103 0.000 2.271 461 A HA 0.927 5.245 4.320 -0.002 0.000 0.288 461 A C 0.382 177.936 177.584 -0.050 0.000 1.094 461 A CA 0.078 52.066 52.037 -0.081 0.000 0.828 461 A CB 0.843 19.786 19.000 -0.095 0.000 1.091 461 A HN 0.902 nan 8.150 nan 0.000 0.493 462 G N -2.075 106.710 108.800 -0.025 0.000 2.322 462 G HA2 0.700 4.658 3.960 -0.002 0.000 0.295 462 G HA3 0.700 4.658 3.960 -0.002 0.000 0.295 462 G C -0.828 174.071 174.900 -0.002 0.000 1.369 462 G CA 0.298 45.389 45.100 -0.015 0.000 0.821 462 G HN 1.915 nan 8.290 nan 0.000 0.536 463 A N -1.056 121.762 122.820 -0.004 0.000 2.504 463 A HA 0.942 5.260 4.320 -0.002 0.000 0.285 463 A C 0.354 177.935 177.584 -0.006 0.000 1.261 463 A CA 0.125 52.158 52.037 -0.006 0.000 0.741 463 A CB 0.486 19.476 19.000 -0.017 0.000 1.327 463 A HN 1.553 nan 8.150 nan 0.000 0.441 464 T N 1.338 115.885 114.554 -0.011 0.000 2.939 464 T HA 0.198 4.546 4.350 -0.002 0.000 0.319 464 T C 0.122 174.823 174.700 0.000 0.000 1.082 464 T CA 0.635 62.729 62.100 -0.010 0.000 1.133 464 T CB -0.087 68.776 68.868 -0.009 0.000 1.019 464 T HN 0.675 nan 8.240 nan 0.000 0.548 465 D N 3.382 123.800 120.400 0.030 0.000 2.819 465 D HA -0.068 4.571 4.640 -0.002 0.000 0.236 465 D C -0.711 175.603 176.300 0.024 0.000 1.181 465 D CA -1.313 52.742 54.000 0.092 0.000 0.855 465 D CB 0.665 41.579 40.800 0.190 0.000 1.146 465 D HN 0.244 nan 8.370 nan 0.000 0.540 466 P HA -0.035 nan 4.420 nan 0.000 0.224 466 P C 1.036 178.323 177.300 -0.023 0.000 1.159 466 P CA 0.142 63.186 63.100 -0.093 0.000 0.824 466 P CB 0.348 31.922 31.700 -0.209 0.000 0.833 467 D N 1.079 121.458 120.400 -0.035 0.000 2.254 467 D HA -0.184 4.455 4.640 -0.002 0.000 0.201 467 D C 1.393 177.697 176.300 0.006 0.000 0.998 467 D CA 1.388 55.379 54.000 -0.015 0.000 0.885 467 D CB -0.704 40.082 40.800 -0.024 0.000 0.915 467 D HN 0.237 nan 8.370 nan 0.000 0.460 468 C N -0.997 118.324 119.300 0.034 0.000 2.576 468 C HA 0.328 4.787 4.460 -0.002 0.000 0.267 468 C C 1.541 176.613 174.990 0.136 0.000 1.364 468 C CA -0.660 58.410 59.018 0.087 0.000 1.723 468 C CB -1.306 26.496 27.740 0.104 0.000 1.778 468 C HN 0.074 nan 8.230 nan 0.000 0.572 469 R N 0.740 121.302 120.500 0.105 0.000 2.694 469 R HA 0.248 4.586 4.340 -0.002 0.000 0.334 469 R C 0.580 176.962 176.300 0.137 0.000 1.143 469 R CA -0.307 55.903 56.100 0.183 0.000 1.073 469 R CB -0.045 30.324 30.300 0.114 0.000 1.366 469 R HN 0.493 nan 8.270 nan 0.000 0.577 470 R N 1.917 122.424 120.500 0.011 0.000 2.679 470 R HA 0.186 4.525 4.340 -0.002 0.000 0.269 470 R C -2.154 174.043 176.300 -0.172 0.000 1.076 470 R CA -1.584 54.428 56.100 -0.148 0.000 1.160 470 R CB 0.476 30.691 30.300 -0.142 0.000 1.054 470 R HN -0.049 nan 8.270 nan 0.000 0.507 471 P HA -0.063 nan 4.420 nan 0.000 0.269 471 P C 0.069 177.271 177.300 -0.164 0.000 1.217 471 P CA -0.003 62.790 63.100 -0.512 0.000 0.783 471 P CB 0.441 31.227 31.700 -1.524 0.000 0.898 472 M N 1.515 121.157 119.600 0.070 0.000 2.232 472 M HA 0.137 4.615 4.480 -0.002 0.000 0.321 472 M C 0.223 176.318 176.300 -0.342 0.000 1.101 472 M CA -0.148 55.016 55.300 -0.227 0.000 1.181 472 M CB -0.503 31.677 32.600 -0.701 0.000 1.432 472 M HN 0.196 nan 8.290 nan 0.000 0.457 473 I N 2.936 123.223 120.570 -0.470 0.000 2.310 473 I HA 0.031 4.200 4.170 -0.002 0.000 0.287 473 I C -0.181 175.646 176.117 -0.483 0.000 1.073 473 I CA -0.083 61.033 61.300 -0.307 0.000 1.216 473 I CB 0.225 38.090 38.000 -0.225 0.000 1.415 473 I HN 0.778 nan 8.210 nan 0.000 0.480 474 W N 2.707 123.962 121.300 -0.076 0.000 2.770 474 W HA 0.070 4.729 4.660 -0.002 0.000 0.256 474 W C 1.007 177.435 176.519 -0.153 0.000 1.291 474 W CA -0.212 57.025 57.345 -0.181 0.000 1.396 474 W CB 0.282 29.631 29.460 -0.185 0.000 1.114 474 W HN 0.317 nan 8.180 nan 0.000 0.637 475 E N 1.783 122.021 120.200 0.062 0.000 2.299 475 E HA -0.059 4.289 4.350 -0.002 0.000 0.272 475 E C 1.088 177.676 176.600 -0.019 0.000 1.043 475 E CA 0.175 56.592 56.400 0.029 0.000 0.895 475 E CB 0.855 30.571 29.700 0.028 0.000 1.011 475 E HN 0.269 nan 8.360 nan 0.000 0.432 476 E N 3.144 123.333 120.200 -0.018 0.000 2.136 476 E HA -0.276 4.073 4.350 -0.002 0.000 0.202 476 E C 1.770 178.357 176.600 -0.021 0.000 1.019 476 E CA 1.732 58.115 56.400 -0.028 0.000 0.819 476 E CB 0.013 29.711 29.700 -0.003 0.000 0.739 476 E HN 0.525 nan 8.360 nan 0.000 0.458 477 K N 0.535 120.929 120.400 -0.010 0.000 2.209 477 K HA -0.127 4.192 4.320 -0.002 0.000 0.204 477 K C 1.069 177.659 176.600 -0.016 0.000 1.048 477 K CA 1.353 57.636 56.287 -0.007 0.000 0.940 477 K CB -0.022 32.478 32.500 -0.001 0.000 0.729 477 K HN 0.047 nan 8.250 nan 0.000 0.451 478 E N 0.894 121.077 120.200 -0.029 0.000 2.585 478 E HA 0.116 4.464 4.350 -0.002 0.000 0.206 478 E C -0.610 175.950 176.600 -0.067 0.000 1.007 478 E CA -0.157 56.218 56.400 -0.041 0.000 1.028 478 E CB 0.723 30.401 29.700 -0.036 0.000 1.087 478 E HN 0.355 nan 8.360 nan 0.000 0.455 479 Q N 0.797 120.558 119.800 -0.065 0.000 2.365 479 Q HA 0.248 4.587 4.340 -0.002 0.000 0.269 479 Q C -0.423 175.556 176.000 -0.035 0.000 1.061 479 Q CA -0.763 54.988 55.803 -0.086 0.000 0.816 479 Q CB 1.526 30.179 28.738 -0.141 0.000 1.325 479 Q HN -0.075 nan 8.270 nan 0.000 0.446 480 N N 2.228 120.919 118.700 -0.015 0.000 2.739 480 N HA 0.012 4.750 4.740 -0.002 0.000 0.266 480 N C 0.326 175.903 175.510 0.112 0.000 1.168 480 N CA 0.175 53.246 53.050 0.035 0.000 1.055 480 N CB 0.309 38.811 38.487 0.025 0.000 1.393 480 N HN 0.444 nan 8.380 nan 0.000 0.514 481 R N 1.227 121.794 120.500 0.112 0.000 2.285 481 R HA -0.019 4.320 4.340 -0.002 0.000 0.213 481 R C 1.525 177.977 176.300 0.252 0.000 1.068 481 R CA 0.626 56.856 56.100 0.217 0.000 1.004 481 R CB -0.435 29.968 30.300 0.172 0.000 0.873 481 R HN 0.517 nan 8.270 nan 0.000 0.467 482 G N 0.297 109.202 108.800 0.175 0.000 2.448 482 G HA2 -0.168 3.790 3.960 -0.002 0.000 0.218 482 G HA3 -0.168 3.790 3.960 -0.002 0.000 0.218 482 G C 1.498 176.534 174.900 0.227 0.000 1.135 482 G CA -0.026 45.170 45.100 0.159 0.000 0.784 482 G HN 0.212 nan 8.290 nan 0.000 0.543 483 L N -1.051 120.336 121.223 0.273 0.000 2.084 483 L HA 0.229 4.567 4.340 -0.002 0.000 0.202 483 L C 2.469 179.649 176.870 0.517 0.000 1.074 483 L CA 0.545 55.632 54.840 0.411 0.000 0.757 483 L CB -0.244 42.045 42.059 0.384 0.000 0.918 483 L HN 0.273 nan 8.230 nan 0.000 0.444 484 F N 0.878 120.977 119.950 0.249 0.000 2.087 484 F HA -0.323 4.203 4.527 -0.002 0.000 0.299 484 F C 2.498 178.431 175.800 0.221 0.000 1.100 484 F CA 1.699 59.822 58.000 0.204 0.000 1.226 484 F CB 0.066 39.166 39.000 0.168 0.000 0.983 484 F HN 0.104 nan 8.300 nan 0.000 0.479 485 E N -0.315 120.023 120.200 0.230 0.000 2.338 485 E HA -0.213 4.136 4.350 -0.002 0.000 0.197 485 E C 1.896 178.581 176.600 0.142 0.000 1.007 485 E CA 0.932 57.388 56.400 0.093 0.000 0.849 485 E CB -0.560 29.219 29.700 0.132 0.000 0.774 485 E HN 0.584 nan 8.360 nan 0.000 0.506 486 F N -0.169 119.842 119.950 0.102 0.000 2.118 486 F HA -0.178 4.348 4.527 -0.002 0.000 0.293 486 F C 2.086 177.933 175.800 0.077 0.000 1.102 486 F CA 0.851 58.898 58.000 0.079 0.000 1.247 486 F CB -0.169 38.891 39.000 0.100 0.000 1.017 486 F HN -0.113 nan 8.300 nan 0.000 0.475 487 Y N 1.312 121.551 120.300 -0.101 0.000 2.165 487 Y HA -0.259 4.290 4.550 -0.002 0.000 0.286 487 Y C 2.401 178.152 175.900 -0.249 0.000 1.155 487 Y CA 2.050 60.030 58.100 -0.200 0.000 1.164 487 Y CB -0.433 38.010 38.460 -0.029 0.000 0.978 487 Y HN -0.000 nan 8.280 nan 0.000 0.513 488 K N -0.128 120.211 120.400 -0.102 0.000 2.026 488 K HA -0.265 4.053 4.320 -0.002 0.000 0.208 488 K C 2.065 178.579 176.600 -0.142 0.000 1.048 488 K CA 1.836 58.002 56.287 -0.202 0.000 0.929 488 K CB -0.221 32.080 32.500 -0.331 0.000 0.713 488 K HN 0.385 nan 8.250 nan 0.000 0.439 489 E N 1.172 121.294 120.200 -0.130 0.000 2.150 489 E HA -0.163 4.185 4.350 -0.002 0.000 0.193 489 E C 1.848 178.339 176.600 -0.181 0.000 0.985 489 E CA 0.733 57.061 56.400 -0.120 0.000 0.814 489 E CB -0.002 29.660 29.700 -0.063 0.000 0.752 489 E HN 0.216 nan 8.360 nan 0.000 0.466 490 L N 0.517 121.565 121.223 -0.292 0.000 2.109 490 L HA -0.081 4.258 4.340 -0.002 0.000 0.207 490 L C 2.449 179.190 176.870 -0.216 0.000 1.086 490 L CA 0.752 55.419 54.840 -0.288 0.000 0.760 490 L CB -0.326 41.480 42.059 -0.422 0.000 0.910 490 L HN 0.204 nan 8.230 nan 0.000 0.437 491 I N -0.559 119.897 120.570 -0.191 0.000 2.700 491 I HA -0.213 3.956 4.170 -0.002 0.000 0.261 491 I C 2.645 178.651 176.117 -0.186 0.000 1.219 491 I CA 0.940 62.116 61.300 -0.207 0.000 1.463 491 I CB -0.318 37.613 38.000 -0.116 0.000 1.092 491 I HN 0.241 nan 8.210 nan 0.000 0.452 492 R N 0.452 120.886 120.500 -0.111 0.000 2.080 492 R HA 0.045 4.383 4.340 -0.002 0.000 0.222 492 R C 2.346 178.600 176.300 -0.078 0.000 1.107 492 R CA 0.837 56.908 56.100 -0.048 0.000 0.980 492 R CB -0.175 30.098 30.300 -0.046 0.000 0.879 492 R HN 0.315 nan 8.270 nan 0.000 0.439 493 L N 0.386 121.542 121.223 -0.113 0.000 2.012 493 L HA -0.203 4.136 4.340 -0.002 0.000 0.210 493 L C 2.780 179.581 176.870 -0.114 0.000 1.073 493 L CA 1.471 56.244 54.840 -0.113 0.000 0.748 493 L CB -0.527 41.472 42.059 -0.101 0.000 0.891 493 L HN 0.189 nan 8.230 nan 0.000 0.431 494 R N -0.811 119.597 120.500 -0.154 0.000 2.117 494 R HA -0.212 4.127 4.340 -0.002 0.000 0.243 494 R C 2.200 178.419 176.300 -0.134 0.000 1.143 494 R CA 1.531 57.526 56.100 -0.174 0.000 0.968 494 R CB -0.149 29.991 30.300 -0.268 0.000 0.863 494 R HN 0.437 nan 8.270 nan 0.000 0.444 495 H N -0.608 118.422 119.070 -0.066 0.000 2.544 495 H HA 0.024 4.579 4.556 -0.002 0.000 0.269 495 H C 1.704 176.988 175.328 -0.073 0.000 0.970 495 H CA 1.291 57.303 56.048 -0.059 0.000 1.219 495 H CB 0.354 30.085 29.762 -0.052 0.000 1.421 495 H HN 0.386 nan 8.280 nan 0.000 0.555 496 R N 0.041 120.541 120.500 0.000 0.000 2.282 496 R HA 0.168 4.506 4.340 -0.002 0.000 0.195 496 R C -0.010 176.221 176.300 -0.114 0.000 0.909 496 R CA 0.184 56.244 56.100 -0.067 0.000 1.039 496 R CB 0.119 30.352 30.300 -0.112 0.000 1.015 496 R HN -0.015 nan 8.270 nan 0.000 0.513 497 L N 2.049 123.209 121.223 -0.105 0.000 2.287 497 L HA 0.449 4.788 4.340 -0.002 0.000 0.280 497 L C 1.124 177.972 176.870 -0.037 0.000 1.055 497 L CA -0.622 54.157 54.840 -0.103 0.000 0.863 497 L CB 1.494 43.488 42.059 -0.108 0.000 1.245 497 L HN 0.271 nan 8.230 nan 0.000 0.432 498 A N 2.251 125.057 122.820 -0.023 0.000 1.940 498 A HA -0.267 4.051 4.320 -0.002 0.000 0.221 498 A C 2.352 179.931 177.584 -0.009 0.000 1.190 498 A CA 2.576 54.607 52.037 -0.010 0.000 0.647 498 A CB -0.465 18.532 19.000 -0.006 0.000 0.821 498 A HN 0.782 nan 8.150 nan 0.000 0.457 499 S N -0.193 115.512 115.700 0.008 0.000 2.423 499 S HA -0.005 4.463 4.470 -0.002 0.000 0.231 499 S C 1.756 176.361 174.600 0.008 0.000 1.014 499 S CA 1.256 59.463 58.200 0.011 0.000 0.965 499 S CB -0.637 62.588 63.200 0.042 0.000 0.785 499 S HN 0.481 nan 8.310 nan 0.000 0.495 500 L N 1.921 123.150 121.223 0.010 0.000 2.141 500 L HA -0.071 4.268 4.340 -0.002 0.000 0.209 500 L C 3.080 179.922 176.870 -0.047 0.000 1.094 500 L CA 1.560 56.400 54.840 -0.002 0.000 0.763 500 L CB -1.193 40.862 42.059 -0.006 0.000 0.908 500 L HN 0.614 nan 8.230 nan 0.000 0.437 501 T N -2.894 111.632 114.554 -0.046 0.000 2.837 501 T HA -0.064 4.284 4.350 -0.002 0.000 0.248 501 T C 1.822 176.476 174.700 -0.076 0.000 1.033 501 T CA 0.227 62.292 62.100 -0.059 0.000 1.150 501 T CB -0.118 68.737 68.868 -0.022 0.000 0.865 501 T HN 0.179 nan 8.240 nan 0.000 0.425 502 R N 1.322 121.786 120.500 -0.061 0.000 2.468 502 R HA 0.434 4.773 4.340 -0.002 0.000 0.280 502 R C 1.083 177.340 176.300 -0.071 0.000 0.963 502 R CA -0.231 55.825 56.100 -0.073 0.000 1.083 502 R CB 0.604 30.870 30.300 -0.057 0.000 1.200 502 R HN 0.511 nan 8.270 nan 0.000 0.541 503 G N 0.536 109.299 108.800 -0.063 0.000 2.532 503 G HA2 0.142 4.100 3.960 -0.002 0.000 0.291 503 G HA3 0.142 4.100 3.960 -0.002 0.000 0.291 503 G C -0.569 174.288 174.900 -0.072 0.000 1.349 503 G CA -0.795 44.274 45.100 -0.051 0.000 1.038 503 G HN 0.357 nan 8.290 nan 0.000 0.518 504 N N -2.746 115.925 118.700 -0.049 0.000 2.459 504 N HA 0.499 5.238 4.740 -0.002 0.000 0.288 504 N C -1.016 174.468 175.510 -0.043 0.000 1.186 504 N CA -0.906 52.106 53.050 -0.064 0.000 0.917 504 N CB 2.500 40.959 38.487 -0.047 0.000 1.219 504 N HN 0.516 nan 8.380 nan 0.000 0.525 505 V N 0.326 120.200 119.914 -0.067 0.000 2.350 505 V HA 0.526 4.644 4.120 -0.002 0.000 0.285 505 V C -1.118 174.999 176.094 0.038 0.000 1.014 505 V CA -0.707 61.581 62.300 -0.020 0.000 0.831 505 V CB 0.703 32.453 31.823 -0.122 0.000 1.000 505 V HN 0.681 nan 8.190 nan 0.000 0.433 506 R N 4.213 124.765 120.500 0.087 0.000 2.338 506 R HA 0.531 4.869 4.340 -0.002 0.000 0.317 506 R C -0.050 176.363 176.300 0.189 0.000 0.968 506 R CA -0.379 55.783 56.100 0.104 0.000 0.849 506 R CB 1.784 32.126 30.300 0.069 0.000 1.128 506 R HN 0.788 nan 8.270 nan 0.000 0.448 507 S N 2.101 117.946 115.700 0.242 0.000 2.531 507 S HA 0.048 4.517 4.470 -0.002 0.000 0.279 507 S C 0.355 175.170 174.600 0.358 0.000 1.305 507 S CA -0.474 57.946 58.200 0.366 0.000 1.058 507 S CB 0.762 64.212 63.200 0.417 0.000 0.899 507 S HN 0.652 nan 8.310 nan 0.000 0.493 508 W N 2.696 124.092 121.300 0.160 0.000 2.640 508 W HA 0.269 4.928 4.660 -0.002 0.000 0.271 508 W C 0.607 177.225 176.519 0.165 0.000 1.218 508 W CA 0.510 57.923 57.345 0.113 0.000 1.382 508 W CB -0.100 29.387 29.460 0.045 0.000 1.067 508 W HN 0.779 nan 8.180 nan 0.000 0.590 509 H N -0.854 118.358 119.070 0.237 0.000 3.038 509 H HA 0.550 5.104 4.556 -0.002 0.000 0.362 509 H C -1.388 174.081 175.328 0.234 0.000 1.167 509 H CA -0.177 55.936 56.048 0.108 0.000 1.197 509 H CB 1.679 31.393 29.762 -0.080 0.000 1.840 509 H HN -0.114 nan 8.280 nan 0.000 0.540 510 A N 4.096 126.951 122.820 0.058 0.000 2.497 510 A HA 0.425 4.743 4.320 -0.002 0.000 0.280 510 A C -1.805 175.776 177.584 -0.005 0.000 1.065 510 A CA -0.562 51.597 52.037 0.204 0.000 0.781 510 A CB 0.895 20.026 19.000 0.218 0.000 1.289 510 A HN 0.641 nan 8.150 nan 0.000 0.415 511 D N 2.620 123.061 120.400 0.069 0.000 2.473 511 D HA 0.214 4.852 4.640 -0.002 0.000 0.253 511 D C 0.754 177.125 176.300 0.118 0.000 1.233 511 D CA -0.510 53.506 54.000 0.026 0.000 0.908 511 D CB 1.439 42.268 40.800 0.048 0.000 1.170 511 D HN 0.429 nan 8.370 nan 0.000 0.558 512 K N 2.419 122.874 120.400 0.093 0.000 2.077 512 K HA -0.314 4.004 4.320 -0.002 0.000 0.213 512 K C 1.276 177.880 176.600 0.006 0.000 1.051 512 K CA 1.833 58.166 56.287 0.077 0.000 0.929 512 K CB 0.292 32.734 32.500 -0.097 0.000 0.715 512 K HN 0.331 nan 8.250 nan 0.000 0.451 513 Q N -0.375 119.417 119.800 -0.013 0.000 2.036 513 Q HA 0.081 4.419 4.340 -0.002 0.000 0.195 513 Q C 1.771 177.775 176.000 0.006 0.000 0.971 513 Q CA 1.836 57.625 55.803 -0.022 0.000 0.826 513 Q CB -0.279 28.439 28.738 -0.034 0.000 0.896 513 Q HN 0.391 nan 8.270 nan 0.000 0.449 514 A N 0.318 123.157 122.820 0.032 0.000 2.125 514 A HA -0.118 4.200 4.320 -0.002 0.000 0.219 514 A C 0.870 178.480 177.584 0.044 0.000 1.156 514 A CA 1.149 53.204 52.037 0.029 0.000 0.671 514 A CB -0.601 18.430 19.000 0.053 0.000 0.794 514 A HN 0.655 nan 8.150 nan 0.000 0.459 515 N N -2.340 116.423 118.700 0.105 0.000 2.725 515 N HA -0.162 4.577 4.740 -0.002 0.000 0.249 515 N C -0.337 175.297 175.510 0.207 0.000 1.103 515 N CA 0.978 54.125 53.050 0.162 0.000 0.707 515 N CB -1.702 36.805 38.487 0.033 0.000 1.043 515 N HN 0.621 nan 8.380 nan 0.000 0.553 516 L N 0.828 122.190 121.223 0.231 0.000 2.282 516 L HA 0.528 4.867 4.340 -0.002 0.000 0.288 516 L C -0.406 176.708 176.870 0.406 0.000 1.033 516 L CA -0.924 54.060 54.840 0.240 0.000 0.807 516 L CB 0.770 42.898 42.059 0.116 0.000 1.209 516 L HN 0.216 nan 8.230 nan 0.000 0.423 517 Y N 5.074 125.572 120.300 0.330 0.000 2.509 517 Y HA 0.807 5.356 4.550 -0.002 0.000 0.341 517 Y C -0.843 175.246 175.900 0.315 0.000 1.038 517 Y CA -0.684 57.607 58.100 0.317 0.000 1.089 517 Y CB 1.911 40.544 38.460 0.289 0.000 1.241 517 Y HN 0.721 nan 8.280 nan 0.000 0.468 518 A N 4.986 127.570 122.820 -0.394 0.000 2.574 518 A HA 0.713 5.032 4.320 -0.002 0.000 0.297 518 A C -1.963 175.596 177.584 -0.041 0.000 1.062 518 A CA -0.563 51.352 52.037 -0.202 0.000 0.686 518 A CB 0.819 19.836 19.000 0.028 0.000 1.285 518 A HN 0.908 nan 8.150 nan 0.000 0.403 519 F N -0.488 119.503 119.950 0.069 0.000 2.664 519 F HA 0.894 5.420 4.527 -0.002 0.000 0.317 519 F C -1.088 174.699 175.800 -0.023 0.000 1.108 519 F CA -1.357 56.689 58.000 0.076 0.000 0.957 519 F CB 1.494 40.568 39.000 0.124 0.000 1.365 519 F HN 0.365 nan 8.300 nan 0.000 0.475 520 V N 2.045 122.100 119.914 0.235 0.000 2.588 520 V HA 0.568 4.687 4.120 -0.002 0.000 0.304 520 V C -0.643 175.564 176.094 0.189 0.000 1.042 520 V CA -0.828 61.487 62.300 0.026 0.000 0.877 520 V CB 1.837 33.529 31.823 -0.219 0.000 0.996 520 V HN 0.686 nan 8.190 nan 0.000 0.425 521 R N 2.331 122.951 120.500 0.201 0.000 2.407 521 R HA 0.795 5.133 4.340 -0.002 0.000 0.303 521 R C -0.726 175.645 176.300 0.118 0.000 0.981 521 R CA -0.402 55.790 56.100 0.154 0.000 0.905 521 R CB 1.817 32.216 30.300 0.165 0.000 1.099 521 R HN 0.753 nan 8.270 nan 0.000 0.459 522 T N 1.240 115.831 114.554 0.063 0.000 3.172 522 T HA 0.358 4.707 4.350 -0.002 0.000 0.320 522 T C -0.928 173.750 174.700 -0.036 0.000 1.085 522 T CA -0.708 61.401 62.100 0.015 0.000 1.052 522 T CB 1.770 70.690 68.868 0.087 0.000 1.107 522 T HN 0.373 nan 8.240 nan 0.000 0.458 523 V N 1.339 121.208 119.914 -0.075 0.000 2.524 523 V HA 0.707 4.826 4.120 -0.002 0.000 0.297 523 V C -0.053 175.983 176.094 -0.097 0.000 1.035 523 V CA -0.985 61.274 62.300 -0.067 0.000 0.867 523 V CB 1.238 33.032 31.823 -0.047 0.000 1.004 523 V HN 0.857 nan 8.190 nan 0.000 0.426 524 Q N 2.049 121.795 119.800 -0.090 0.000 1.113 524 Q HA -0.267 4.071 4.340 -0.002 0.000 0.352 524 Q C 0.867 176.763 176.000 -0.173 0.000 1.021 524 Q CA 1.877 57.623 55.803 -0.095 0.000 0.584 524 Q CB -0.864 27.836 28.738 -0.063 0.000 4.825 524 Q HN 1.005 nan 8.270 nan 0.000 0.491 525 D N 0.940 121.243 120.400 -0.162 0.000 2.221 525 D HA -0.092 4.547 4.640 -0.002 0.000 0.204 525 D C 0.898 176.953 176.300 -0.408 0.000 0.982 525 D CA 1.239 55.103 54.000 -0.226 0.000 0.857 525 D CB -0.063 40.654 40.800 -0.138 0.000 0.934 525 D HN 0.244 nan 8.370 nan 0.000 0.475 526 Q N 0.910 120.528 119.800 -0.304 0.000 2.271 526 Q HA 0.014 4.353 4.340 -0.002 0.000 0.273 526 Q C -0.697 175.076 176.000 -0.379 0.000 1.051 526 Q CA 0.264 55.912 55.803 -0.259 0.000 0.901 526 Q CB 0.289 29.003 28.738 -0.041 0.000 1.174 526 Q HN 0.252 nan 8.270 nan 0.000 0.385 527 H N 2.206 121.236 119.070 -0.066 0.000 2.572 527 H HA 0.468 5.023 4.556 -0.002 0.000 0.359 527 H C -1.268 174.119 175.328 0.097 0.000 1.134 527 H CA -0.661 55.390 56.048 0.005 0.000 1.187 527 H CB 2.106 31.875 29.762 0.011 0.000 1.597 527 H HN 0.437 nan 8.280 nan 0.000 0.524 528 V N 2.134 122.232 119.914 0.306 0.000 2.488 528 V HA 0.587 4.705 4.120 -0.002 0.000 0.293 528 V C -0.377 175.862 176.094 0.242 0.000 1.027 528 V CA -0.379 62.129 62.300 0.346 0.000 0.862 528 V CB 1.243 33.245 31.823 0.298 0.000 1.008 528 V HN 0.909 nan 8.190 nan 0.000 0.428 529 G N 5.303 114.230 108.800 0.212 0.000 2.332 529 G HA2 0.576 4.534 3.960 -0.002 0.000 0.310 529 G HA3 0.576 4.534 3.960 -0.002 0.000 0.310 529 G C -0.970 173.939 174.900 0.015 0.000 1.123 529 G CA -0.458 44.569 45.100 -0.121 0.000 0.873 529 G HN 0.823 nan 8.290 nan 0.000 0.460 530 V N 3.157 122.971 119.914 -0.166 0.000 2.347 530 V HA 0.264 4.383 4.120 -0.002 0.000 0.280 530 V C -0.026 175.957 176.094 -0.185 0.000 1.021 530 V CA -0.567 61.591 62.300 -0.235 0.000 0.847 530 V CB 1.492 32.955 31.823 -0.600 0.000 0.990 530 V HN 0.532 nan 8.190 nan 0.000 0.444 531 V N 7.104 127.003 119.914 -0.024 0.000 2.350 531 V HA 0.429 4.548 4.120 -0.002 0.000 0.276 531 V C -0.364 175.727 176.094 -0.005 0.000 1.028 531 V CA -0.568 61.711 62.300 -0.035 0.000 0.860 531 V CB 1.035 32.809 31.823 -0.081 0.000 0.990 531 V HN 0.709 nan 8.190 nan 0.000 0.453 532 L N 3.004 124.256 121.223 0.048 0.000 2.295 532 L HA 0.575 4.914 4.340 -0.002 0.000 0.281 532 L C 0.072 177.025 176.870 0.138 0.000 1.018 532 L CA -0.550 54.373 54.840 0.138 0.000 0.841 532 L CB 0.692 42.913 42.059 0.270 0.000 1.218 532 L HN 0.430 nan 8.230 nan 0.000 0.424 533 N N 2.468 121.206 118.700 0.064 0.000 2.448 533 N HA 0.010 4.748 4.740 -0.002 0.000 0.250 533 N C -0.179 175.319 175.510 -0.020 0.000 1.136 533 N CA 0.156 53.211 53.050 0.007 0.000 0.953 533 N CB 0.335 38.800 38.487 -0.038 0.000 1.251 533 N HN 0.663 nan 8.380 nan 0.000 0.502 534 N N 3.151 121.827 118.700 -0.039 0.000 3.131 534 N HA 0.162 4.900 4.740 -0.002 0.000 0.312 534 N C -1.186 174.144 175.510 -0.301 0.000 1.433 534 N CA -0.238 52.725 53.050 -0.144 0.000 1.141 534 N CB -0.110 38.138 38.487 -0.397 0.000 1.431 534 N HN 0.341 nan 8.380 nan 0.000 0.523 535 R N -0.399 119.855 120.500 -0.410 0.000 2.604 535 R HA 0.438 4.776 4.340 -0.002 0.000 0.281 535 R C -0.240 175.665 176.300 -0.657 0.000 1.020 535 R CA -0.722 55.128 56.100 -0.416 0.000 0.899 535 R CB 1.371 31.540 30.300 -0.218 0.000 1.205 535 R HN 0.278 nan 8.270 nan 0.000 0.450 536 G N 2.953 111.373 108.800 -0.633 0.000 3.197 536 G HA2 0.170 4.128 3.960 -0.002 0.000 0.257 536 G HA3 0.170 4.128 3.960 -0.002 0.000 0.257 536 G C -0.116 174.632 174.900 -0.253 0.000 0.835 536 G CA 0.245 45.021 45.100 -0.540 0.000 2.001 536 G HN 0.645 nan 8.290 nan 0.000 0.625 537 E N -1.169 118.896 120.200 -0.226 0.000 2.417 537 E HA 0.307 4.655 4.350 -0.002 0.000 0.280 537 E C -1.255 175.282 176.600 -0.105 0.000 1.112 537 E CA -1.166 55.159 56.400 -0.124 0.000 0.863 537 E CB 0.783 30.422 29.700 -0.101 0.000 1.346 537 E HN 0.010 nan 8.360 nan 0.000 0.443 538 K N 1.735 122.093 120.400 -0.070 0.000 2.300 538 K HA 0.223 4.541 4.320 -0.002 0.000 0.264 538 K C -0.731 175.835 176.600 -0.057 0.000 1.083 538 K CA -0.123 56.130 56.287 -0.057 0.000 0.958 538 K CB 0.843 33.321 32.500 -0.037 0.000 1.318 538 K HN 0.433 nan 8.250 nan 0.000 0.448 539 Q N 0.938 120.699 119.800 -0.064 0.000 2.237 539 Q HA 0.302 4.640 4.340 -0.002 0.000 0.219 539 Q C -0.664 175.296 176.000 -0.067 0.000 0.999 539 Q CA -0.423 55.342 55.803 -0.063 0.000 0.959 539 Q CB 1.676 30.374 28.738 -0.066 0.000 1.173 539 Q HN 0.439 nan 8.270 nan 0.000 0.527 540 T N 0.543 115.052 114.554 -0.075 0.000 2.881 540 T HA 0.485 4.834 4.350 -0.002 0.000 0.291 540 T C -1.477 173.154 174.700 -0.115 0.000 0.990 540 T CA -0.515 61.531 62.100 -0.090 0.000 0.976 540 T CB 1.340 70.160 68.868 -0.080 0.000 0.970 540 T HN 0.317 nan 8.240 nan 0.000 0.438 541 V N 4.409 124.222 119.914 -0.168 0.000 2.864 541 V HA 0.734 4.853 4.120 -0.002 0.000 0.314 541 V C -1.693 174.240 176.094 -0.268 0.000 1.073 541 V CA -1.104 61.055 62.300 -0.236 0.000 0.956 541 V CB 1.770 33.370 31.823 -0.371 0.000 1.023 541 V HN 0.750 nan 8.190 nan 0.000 0.435 542 L N 6.596 127.673 121.223 -0.243 0.000 2.324 542 L HA 0.533 4.871 4.340 -0.002 0.000 0.274 542 L C -0.304 176.410 176.870 -0.260 0.000 1.012 542 L CA 0.133 54.842 54.840 -0.220 0.000 0.859 542 L CB 1.219 43.198 42.059 -0.132 0.000 1.224 542 L HN 0.431 nan 8.230 nan 0.000 0.429 543 L N 2.290 123.275 121.223 -0.397 0.000 2.349 543 L HA 0.353 4.692 4.340 -0.002 0.000 0.275 543 L C 0.455 177.182 176.870 -0.239 0.000 1.115 543 L CA -0.666 53.883 54.840 -0.484 0.000 0.820 543 L CB 0.759 42.193 42.059 -1.040 0.000 1.135 543 L HN 0.494 nan 8.230 nan 0.000 0.445 544 Q N 1.851 121.587 119.800 -0.106 0.000 2.313 544 Q HA 0.193 4.532 4.340 -0.002 0.000 0.266 544 Q C -0.470 175.627 176.000 0.161 0.000 0.989 544 Q CA -0.130 55.697 55.803 0.040 0.000 0.890 544 Q CB 1.316 30.105 28.738 0.084 0.000 1.200 544 Q HN 0.431 nan 8.270 nan 0.000 0.396 545 V N 2.686 122.692 119.914 0.153 0.000 2.872 545 V HA 0.336 4.454 4.120 -0.002 0.000 0.307 545 V C -1.732 174.484 176.094 0.203 0.000 1.072 545 V CA -1.300 61.131 62.300 0.217 0.000 1.148 545 V CB -0.292 31.640 31.823 0.181 0.000 0.954 545 V HN 0.782 nan 8.190 nan 0.000 0.490 546 P HA 0.265 nan 4.420 nan 0.000 0.276 546 P C 0.710 177.950 177.300 -0.101 0.000 1.261 546 P CA -0.345 62.715 63.100 -0.066 0.000 0.800 546 P CB 0.814 32.331 31.700 -0.305 0.000 1.066 547 E N 0.500 120.629 120.200 -0.118 0.000 2.038 547 E HA -0.144 4.205 4.350 -0.002 0.000 0.195 547 E C 1.611 178.245 176.600 0.057 0.000 1.000 547 E CA 1.657 58.056 56.400 -0.002 0.000 0.803 547 E CB -1.401 28.335 29.700 0.061 0.000 0.750 547 E HN 0.378 nan 8.360 nan 0.000 0.448 548 S N 0.599 116.416 115.700 0.194 0.000 2.355 548 S HA 0.196 4.665 4.470 -0.002 0.000 0.222 548 S C 1.200 175.870 174.600 0.118 0.000 1.031 548 S CA 0.983 59.328 58.200 0.243 0.000 0.993 548 S CB -0.225 63.158 63.200 0.305 0.000 0.859 548 S HN 0.760 nan 8.310 nan 0.000 0.453 549 G N -1.360 107.494 108.800 0.089 0.000 2.359 549 G HA2 0.449 4.408 3.960 -0.002 0.000 0.314 549 G HA3 0.449 4.408 3.960 -0.002 0.000 0.314 549 G C -0.694 174.216 174.900 0.016 0.000 1.364 549 G CA -0.336 44.800 45.100 0.062 0.000 0.978 549 G HN 0.962 nan 8.290 nan 0.000 0.615 550 G N -0.320 108.525 108.800 0.076 0.000 2.213 550 G HA2 0.520 4.478 3.960 -0.002 0.000 0.249 550 G HA3 0.520 4.478 3.960 -0.002 0.000 0.249 550 G C -0.015 175.083 174.900 0.329 0.000 2.618 550 G CA 0.395 45.499 45.100 0.007 0.000 0.788 550 G HN 0.725 nan 8.290 nan 0.000 0.498 551 K N 0.436 120.909 120.400 0.121 0.000 2.186 551 K HA 0.199 4.518 4.320 -0.002 0.000 0.202 551 K C 1.432 178.154 176.600 0.203 0.000 1.052 551 K CA 1.544 57.921 56.287 0.149 0.000 0.965 551 K CB 0.334 32.871 32.500 0.062 0.000 0.746 551 K HN 0.761 nan 8.250 nan 0.000 0.457 552 T N -1.882 112.750 114.554 0.130 0.000 2.949 552 T HA 0.497 4.846 4.350 -0.002 0.000 0.300 552 T C -1.278 173.466 174.700 0.073 0.000 0.988 552 T CA -0.856 61.332 62.100 0.146 0.000 0.993 552 T CB 0.429 69.308 68.868 0.018 0.000 0.984 552 T HN -0.000 nan 8.240 nan 0.000 0.442 553 W N 2.772 124.043 121.300 -0.048 0.000 2.606 553 W HA 0.723 5.382 4.660 -0.002 0.000 0.332 553 W C -0.442 176.063 176.519 -0.023 0.000 1.052 553 W CA -1.349 55.965 57.345 -0.051 0.000 1.223 553 W CB 1.560 31.029 29.460 0.016 0.000 1.383 553 W HN 0.755 nan 8.180 nan 0.000 0.524 554 L N 3.086 124.423 121.223 0.190 0.000 2.343 554 L HA 0.471 4.810 4.340 -0.002 0.000 0.275 554 L C -0.301 176.719 176.870 0.250 0.000 1.056 554 L CA -0.180 54.779 54.840 0.199 0.000 0.804 554 L CB 0.943 43.169 42.059 0.278 0.000 1.203 554 L HN 0.358 nan 8.230 nan 0.000 0.440 555 D N 2.490 122.997 120.400 0.178 0.000 2.274 555 D HA 0.193 4.832 4.640 -0.002 0.000 0.239 555 D C 0.617 177.012 176.300 0.159 0.000 1.104 555 D CA -0.367 53.734 54.000 0.168 0.000 0.840 555 D CB 1.474 42.337 40.800 0.105 0.000 1.100 555 D HN 0.703 nan 8.370 nan 0.000 0.477 556 C N 3.335 122.734 119.300 0.165 0.000 2.440 556 C HA -0.060 4.399 4.460 -0.002 0.000 0.278 556 C C 2.681 177.716 174.990 0.076 0.000 1.295 556 C CA 0.089 59.171 59.018 0.108 0.000 1.738 556 C CB -1.062 26.719 27.740 0.068 0.000 1.987 556 C HN 0.691 nan 8.230 nan 0.000 0.492 557 L N 1.049 122.324 121.223 0.086 0.000 2.017 557 L HA -0.117 4.221 4.340 -0.002 0.000 0.208 557 L C 2.691 179.609 176.870 0.079 0.000 1.073 557 L CA 2.304 57.197 54.840 0.089 0.000 0.745 557 L CB -0.934 41.198 42.059 0.122 0.000 0.894 557 L HN 0.573 nan 8.230 nan 0.000 0.432 558 T N -4.847 109.753 114.554 0.076 0.000 2.954 558 T HA 0.518 4.866 4.350 -0.002 0.000 0.252 558 T C 0.586 175.321 174.700 0.058 0.000 0.983 558 T CA 0.276 62.414 62.100 0.063 0.000 0.941 558 T CB 1.164 70.065 68.868 0.055 0.000 1.141 558 T HN 0.438 nan 8.240 nan 0.000 0.500 559 G N 0.819 109.659 108.800 0.066 0.000 2.369 559 G HA2 0.242 4.201 3.960 -0.002 0.000 0.293 559 G HA3 0.242 4.201 3.960 -0.002 0.000 0.293 559 G C -1.801 173.130 174.900 0.052 0.000 1.301 559 G CA -0.729 44.406 45.100 0.059 0.000 0.913 559 G HN 0.382 nan 8.290 nan 0.000 0.540 560 E N 0.614 120.835 120.200 0.035 0.000 2.220 560 E HA 0.285 4.633 4.350 -0.002 0.000 0.272 560 E C -0.456 176.107 176.600 -0.062 0.000 1.099 560 E CA 0.010 56.418 56.400 0.015 0.000 0.907 560 E CB 0.292 30.006 29.700 0.023 0.000 1.022 560 E HN 0.253 nan 8.360 nan 0.000 0.428 561 E N 4.713 124.875 120.200 -0.062 0.000 2.490 561 E HA 0.050 4.398 4.350 -0.002 0.000 0.232 561 E C -0.214 176.324 176.600 -0.105 0.000 1.091 561 E CA -0.220 56.037 56.400 -0.239 0.000 1.050 561 E CB 1.352 30.865 29.700 -0.310 0.000 1.342 561 E HN 0.329 nan 8.360 nan 0.000 0.454 562 V N 3.003 122.874 119.914 -0.070 0.000 3.297 562 V HA -0.087 4.031 4.120 -0.002 0.000 0.357 562 V C 0.834 177.013 176.094 0.141 0.000 1.238 562 V CA 0.731 63.068 62.300 0.062 0.000 1.454 562 V CB -1.210 30.642 31.823 0.050 0.000 1.159 562 V HN 0.555 nan 8.190 nan 0.000 0.435 563 H N 0.881 119.984 119.070 0.054 0.000 2.543 563 H HA 0.183 4.737 4.556 -0.002 0.000 0.269 563 H C 1.724 177.058 175.328 0.010 0.000 1.005 563 H CA 0.094 56.149 56.048 0.012 0.000 1.146 563 H CB 0.288 30.034 29.762 -0.027 0.000 1.353 563 H HN 0.600 nan 8.280 nan 0.000 0.595 564 G N 2.604 111.499 108.800 0.159 0.000 2.687 564 G HA2 -0.100 3.858 3.960 -0.002 0.000 0.288 564 G HA3 -0.100 3.858 3.960 -0.002 0.000 0.288 564 G C 0.254 175.206 174.900 0.087 0.000 0.713 564 G CA -0.449 44.727 45.100 0.127 0.000 2.023 564 G HN 0.460 nan 8.290 nan 0.000 0.529 565 K N 2.261 122.692 120.400 0.051 0.000 2.222 565 K HA 0.217 4.536 4.320 -0.002 0.000 0.243 565 K C 0.163 176.778 176.600 0.025 0.000 1.160 565 K CA -0.516 55.788 56.287 0.028 0.000 1.090 565 K CB 0.273 32.773 32.500 -0.000 0.000 1.694 565 K HN 0.509 nan 8.250 nan 0.000 0.361 566 Q N 0.495 120.318 119.800 0.039 0.000 2.451 566 Q HA -0.286 4.052 4.340 -0.002 0.000 0.305 566 Q C 0.598 176.620 176.000 0.037 0.000 1.345 566 Q CA 0.700 56.525 55.803 0.036 0.000 0.854 566 Q CB -1.682 27.073 28.738 0.029 0.000 1.162 566 Q HN 1.157 nan 8.270 nan 0.000 0.440 567 G N -1.500 107.330 108.800 0.050 0.000 2.604 567 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.205 567 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.205 567 G C -0.089 174.831 174.900 0.034 0.000 1.186 567 G CA -0.102 45.029 45.100 0.053 0.000 0.753 567 G HN 0.225 nan 8.290 nan 0.000 0.526 568 Q N 0.583 120.388 119.800 0.008 0.000 2.394 568 Q HA 0.642 4.981 4.340 -0.002 0.000 0.248 568 Q C -0.224 175.756 176.000 -0.034 0.000 0.992 568 Q CA 0.007 55.792 55.803 -0.029 0.000 0.888 568 Q CB 2.052 30.767 28.738 -0.037 0.000 1.257 568 Q HN 0.837 nan 8.270 nan 0.000 0.462 569 L N 0.994 122.165 121.223 -0.087 0.000 2.404 569 L HA 0.403 4.742 4.340 -0.002 0.000 0.272 569 L C -0.914 175.881 176.870 -0.125 0.000 0.980 569 L CA -0.446 54.346 54.840 -0.079 0.000 0.836 569 L CB 1.599 43.567 42.059 -0.151 0.000 1.238 569 L HN 0.493 nan 8.230 nan 0.000 0.408 570 K N 5.451 125.788 120.400 -0.104 0.000 2.211 570 K HA 0.652 4.970 4.320 -0.002 0.000 0.275 570 K C -1.645 174.886 176.600 -0.115 0.000 1.024 570 K CA -0.429 55.755 56.287 -0.172 0.000 0.887 570 K CB 0.864 33.222 32.500 -0.238 0.000 1.084 570 K HN 0.690 nan 8.250 nan 0.000 0.463 571 L N 3.627 124.784 121.223 -0.111 0.000 2.362 571 L HA 0.365 4.704 4.340 -0.002 0.000 0.275 571 L C -0.624 176.210 176.870 -0.060 0.000 0.998 571 L CA -0.811 54.012 54.840 -0.028 0.000 0.820 571 L CB 2.326 44.321 42.059 -0.106 0.000 1.270 571 L HN 0.658 nan 8.230 nan 0.000 0.415 572 T N 4.754 119.300 114.554 -0.013 0.000 2.832 572 T HA 0.512 4.861 4.350 -0.002 0.000 0.313 572 T C -0.255 174.434 174.700 -0.018 0.000 1.035 572 T CA -0.434 61.647 62.100 -0.031 0.000 0.950 572 T CB 0.090 68.948 68.868 -0.017 0.000 0.984 572 T HN 0.384 nan 8.240 nan 0.000 0.486 573 L N 0.847 122.050 121.223 -0.035 0.000 2.346 573 L HA 0.731 5.069 4.340 -0.002 0.000 0.276 573 L C 0.379 177.236 176.870 -0.023 0.000 1.006 573 L CA -1.450 53.378 54.840 -0.020 0.000 0.817 573 L CB 1.537 43.584 42.059 -0.020 0.000 1.272 573 L HN 0.330 nan 8.230 nan 0.000 0.421 574 R N 2.258 122.754 120.500 -0.007 0.000 2.944 574 R HA 0.248 4.587 4.340 -0.002 0.000 0.279 574 R C -2.202 174.092 176.300 -0.010 0.000 1.048 574 R CA -0.987 55.109 56.100 -0.005 0.000 1.196 574 R CB 0.309 30.615 30.300 0.010 0.000 1.134 574 R HN 0.547 nan 8.270 nan 0.000 0.525 575 P HA -0.031 nan 4.420 nan 0.000 0.271 575 P C -1.061 176.314 177.300 0.124 0.000 1.216 575 P CA 0.441 63.519 63.100 -0.038 0.000 0.771 575 P CB 0.129 31.820 31.700 -0.015 0.000 0.864 576 Y N -1.581 118.694 120.300 -0.041 0.000 3.929 576 Y HA -0.237 4.311 4.550 -0.003 0.000 0.225 576 Y C 0.760 176.636 175.900 -0.039 0.000 1.200 576 Y CA 0.423 58.495 58.100 -0.047 0.000 1.791 576 Y CB -1.928 36.496 38.460 -0.059 0.000 1.561 576 Y HN 0.466 nan 8.280 nan 0.000 0.657 577 Q N 0.901 120.767 119.800 0.109 0.000 2.256 577 Q HA 0.648 4.986 4.340 -0.002 0.000 0.257 577 Q C 0.263 176.307 176.000 0.073 0.000 0.936 577 Q CA -0.178 55.667 55.803 0.071 0.000 0.903 577 Q CB 1.700 30.463 28.738 0.042 0.000 1.263 577 Q HN 0.366 nan 8.270 nan 0.000 0.440 578 G N 3.783 112.633 108.800 0.084 0.000 2.470 578 G HA2 0.547 4.506 3.960 -0.002 0.000 0.320 578 G HA3 0.547 4.506 3.960 -0.002 0.000 0.320 578 G C -0.690 174.257 174.900 0.078 0.000 1.245 578 G CA -0.615 44.538 45.100 0.089 0.000 0.935 578 G HN 0.579 nan 8.290 nan 0.000 0.476 579 M N 1.247 120.881 119.600 0.057 0.000 2.471 579 M HA 0.521 5.000 4.480 -0.002 0.000 0.309 579 M C -0.491 175.856 176.300 0.079 0.000 1.186 579 M CA -0.517 54.824 55.300 0.068 0.000 1.008 579 M CB 2.279 34.911 32.600 0.053 0.000 1.551 579 M HN 0.210 nan 8.290 nan 0.000 0.477 580 I N 3.049 123.685 120.570 0.110 0.000 2.493 580 I HA 0.318 4.487 4.170 -0.002 0.000 0.279 580 I C -1.310 174.933 176.117 0.209 0.000 1.045 580 I CA -0.334 61.044 61.300 0.130 0.000 1.106 580 I CB 1.089 39.154 38.000 0.108 0.000 1.216 580 I HN 0.487 nan 8.210 nan 0.000 0.459 581 L N 5.342 126.729 121.223 0.272 0.000 2.282 581 L HA 0.402 4.741 4.340 -0.002 0.000 0.288 581 L C -0.887 176.359 176.870 0.626 0.000 1.033 581 L CA -0.464 54.629 54.840 0.420 0.000 0.807 581 L CB 1.090 43.370 42.059 0.369 0.000 1.209 581 L HN 0.525 nan 8.230 nan 0.000 0.423 582 W N 5.220 126.713 121.300 0.321 0.000 2.376 582 W HA 0.299 4.958 4.660 -0.002 0.000 0.312 582 W C 1.031 177.530 176.519 -0.033 0.000 1.060 582 W CA -1.056 56.376 57.345 0.145 0.000 1.221 582 W CB 0.888 30.383 29.460 0.058 0.000 1.281 582 W HN 0.634 nan 8.180 nan 0.000 0.456 583 N N 4.113 122.315 118.700 -0.830 0.000 2.609 583 N HA -0.025 4.714 4.740 -0.002 0.000 0.190 583 N C 1.344 176.099 175.510 -1.257 0.000 1.157 583 N CA 1.315 53.440 53.050 -1.542 0.000 0.918 583 N CB -0.301 37.202 38.487 -1.641 0.000 0.978 583 N HN 1.034 nan 8.380 nan 0.000 0.448 584 G N -0.195 107.510 108.800 -1.826 0.000 2.304 584 G HA2 -0.340 3.618 3.960 -0.002 0.000 0.252 584 G HA3 -0.340 3.618 3.960 -0.002 0.000 0.252 584 G C 0.386 174.667 174.900 -1.032 0.000 1.014 584 G CA 0.482 44.523 45.100 -1.765 0.000 0.619 584 G HN 0.563 nan 8.290 nan 0.000 0.525 585 R N 0.000 120.117 120.500 -0.639 0.000 2.786 585 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 585 R CA 0.000 55.955 56.100 -0.241 0.000 0.921 585 R CB 0.000 30.166 30.300 -0.223 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535