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 1vb9_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLLEAIFHEA KGSYAYPISE TQLRVRLRAK KGDVVRCEVL YADRYASPEE DATA SEQUENCE ELAHALAGKA GSDERFDYFE ALLECSTKRV KYVFLLTGPQ GEAVYFGETG DATA SEQUENCE FSAERSKAGV FQYAYIHRSE VFTTPEWAKE AVIYQIFPER FANGDPSNDP DATA SEQUENCE PGTEQWAKDA RPRHDSFYGG DLKGVIDRLP YLEELGVTAL YFTPIFASPS DATA SEQUENCE HHKYDTADYL AIDPQFGDLP TFRRLVDEAH RRGIKIILDA VFNHAGDQFF DATA SEQUENCE AFRDVLQKGE QSRYKDWFFI EDFPVSKTSR TNYETFAVQV PAMPKLRTEN DATA SEQUENCE PEVKEYLFDV ARFWMEQGID GWRLNVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH DTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATDPDCRR PMIWEEKEQN RGLFEFYKEL IRLRHRLASL DATA SEQUENCE TRGNVRSWHA DKQANLYAFV RTVQDQHVGV VLNNRGEKQT VLLQVPESGG DATA SEQUENCE KTWLDCLTGE EVHGKQGQLK LTLRPYQGMI LWNGR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.237 176.300 -0.105 0.000 1.140 1 M CA 0.000 55.258 55.300 -0.069 0.000 0.988 1 M CB 0.000 32.557 32.600 -0.072 0.000 1.302 2 L N 3.588 124.755 121.223 -0.093 0.000 2.312 2 L HA 0.379 4.717 4.340 -0.003 0.000 0.287 2 L C 0.403 177.170 176.870 -0.172 0.000 1.091 2 L CA -0.011 54.763 54.840 -0.109 0.000 0.846 2 L CB 0.565 42.586 42.059 -0.064 0.000 1.219 2 L HN 0.917 nan 8.230 nan 0.000 0.439 3 L N 2.484 123.528 121.223 -0.298 0.000 2.131 3 L HA -0.146 4.192 4.340 -0.003 0.000 0.210 3 L C 1.580 178.258 176.870 -0.320 0.000 1.092 3 L CA 0.831 55.335 54.840 -0.561 0.000 0.759 3 L CB -0.311 41.207 42.059 -0.902 0.000 0.903 3 L HN 0.629 nan 8.230 nan 0.000 0.435 4 E N 0.465 120.574 120.200 -0.151 0.000 2.401 4 E HA -0.130 4.218 4.350 -0.003 0.000 0.199 4 E C 1.800 178.423 176.600 0.039 0.000 1.023 4 E CA 0.994 57.377 56.400 -0.029 0.000 0.859 4 E CB -0.114 29.578 29.700 -0.014 0.000 0.780 4 E HN 0.451 nan 8.360 nan 0.000 0.523 5 A N 0.032 122.874 122.820 0.036 0.000 2.390 5 A HA 0.241 4.559 4.320 -0.003 0.000 0.232 5 A C 0.582 178.260 177.584 0.157 0.000 1.233 5 A CA -0.316 51.819 52.037 0.164 0.000 0.907 5 A CB 0.197 19.304 19.000 0.178 0.000 0.967 5 A HN 0.080 nan 8.150 nan 0.000 0.512 6 I N 0.285 120.887 120.570 0.054 0.000 2.395 6 I HA 0.403 4.571 4.170 -0.003 0.000 0.289 6 I C -0.604 175.574 176.117 0.101 0.000 1.023 6 I CA -0.214 61.096 61.300 0.015 0.000 1.350 6 I CB 1.011 38.935 38.000 -0.126 0.000 1.409 6 I HN 0.279 nan 8.210 nan 0.000 0.507 7 F N 6.395 126.314 119.950 -0.051 0.000 2.591 7 F HA 0.604 5.129 4.527 -0.003 0.000 0.309 7 F C -0.871 174.987 175.800 0.097 0.000 1.098 7 F CA -0.463 57.545 58.000 0.013 0.000 0.937 7 F CB 1.605 40.502 39.000 -0.172 0.000 1.250 7 F HN 0.514 nan 8.300 nan 0.000 0.447 8 H N 2.397 120.677 119.070 -1.317 0.000 3.094 8 H HA 0.503 5.057 4.556 -0.003 0.000 0.346 8 H C -2.040 172.492 175.328 -1.327 0.000 1.238 8 H CA -0.484 54.880 56.048 -1.140 0.000 1.209 8 H CB 1.813 31.181 29.762 -0.657 0.000 1.911 8 H HN 0.679 nan 8.280 nan 0.000 0.540 9 E N 2.639 121.808 120.200 -1.718 0.000 2.321 9 E HA 0.588 4.936 4.350 -0.003 0.000 0.278 9 E C -1.235 174.912 176.600 -0.756 0.000 0.902 9 E CA -1.160 54.702 56.400 -0.897 0.000 0.758 9 E CB 1.977 31.478 29.700 -0.331 0.000 1.213 9 E HN 0.648 nan 8.360 nan 0.000 0.426 10 A N 4.023 126.695 122.820 -0.246 0.000 2.958 10 A HA 0.183 4.501 4.320 -0.003 0.000 0.247 10 A C -0.032 177.697 177.584 0.242 0.000 1.679 10 A CA 0.525 52.659 52.037 0.162 0.000 1.345 10 A CB -0.956 18.227 19.000 0.305 0.000 1.013 10 A HN 0.629 nan 8.150 nan 0.000 0.641 11 K N -2.443 118.074 120.400 0.196 0.000 2.889 11 K HA 0.586 4.904 4.320 -0.003 0.000 0.290 11 K C 0.605 177.367 176.600 0.269 0.000 1.035 11 K CA -0.497 55.951 56.287 0.267 0.000 0.776 11 K CB -0.385 32.203 32.500 0.147 0.000 1.457 11 K HN 1.381 nan 8.250 nan 0.000 0.363 12 G N 0.897 109.845 108.800 0.247 0.000 2.611 12 G HA2 -0.406 3.552 3.960 -0.003 0.000 0.301 12 G HA3 -0.406 3.552 3.960 -0.003 0.000 0.301 12 G C 0.677 175.770 174.900 0.320 0.000 1.233 12 G CA 1.396 46.642 45.100 0.244 0.000 0.993 12 G HN 1.566 nan 8.290 nan 0.000 0.553 13 S N -0.933 114.981 115.700 0.357 0.000 2.577 13 S HA 0.417 4.885 4.470 -0.003 0.000 0.219 13 S C 1.398 176.143 174.600 0.242 0.000 0.962 13 S CA 1.023 59.416 58.200 0.321 0.000 0.921 13 S CB 0.151 63.469 63.200 0.196 0.000 0.789 13 S HN 0.608 nan 8.310 nan 0.000 0.497 14 Y N 1.695 122.145 120.300 0.250 0.000 2.481 14 Y HA 0.630 5.178 4.550 -0.003 0.000 0.258 14 Y C 0.969 176.951 175.900 0.137 0.000 1.103 14 Y CA -0.188 58.000 58.100 0.147 0.000 1.287 14 Y CB 0.664 39.087 38.460 -0.061 0.000 1.108 14 Y HN 0.469 nan 8.280 nan 0.000 0.529 15 A N 0.161 123.130 122.820 0.248 0.000 2.485 15 A HA 0.657 4.975 4.320 -0.003 0.000 0.285 15 A C -1.844 175.820 177.584 0.132 0.000 1.045 15 A CA -0.529 51.578 52.037 0.117 0.000 0.792 15 A CB 0.063 19.249 19.000 0.310 0.000 1.307 15 A HN 0.239 nan 8.150 nan 0.000 0.406 16 Y N 0.720 120.938 120.300 -0.136 0.000 2.565 16 Y HA 0.823 5.371 4.550 -0.003 0.000 0.330 16 Y C -3.380 172.377 175.900 -0.239 0.000 1.150 16 Y CA -2.627 55.383 58.100 -0.150 0.000 1.055 16 Y CB 1.267 39.749 38.460 0.038 0.000 1.337 16 Y HN 0.385 nan 8.280 nan 0.000 0.457 17 P HA 0.350 nan 4.420 nan 0.000 0.282 17 P C 0.240 177.610 177.300 0.117 0.000 1.249 17 P CA -0.390 62.673 63.100 -0.060 0.000 0.806 17 P CB 2.328 33.999 31.700 -0.048 0.000 0.984 18 I N -0.798 119.789 120.570 0.028 0.000 4.181 18 I HA 0.237 4.405 4.170 -0.003 0.000 0.331 18 I C 0.373 176.509 176.117 0.031 0.000 1.312 18 I CA -0.117 61.222 61.300 0.065 0.000 1.146 18 I CB 0.292 38.307 38.000 0.025 0.000 1.074 18 I HN 0.323 nan 8.210 nan 0.000 0.402 19 S N -0.611 115.094 115.700 0.007 0.000 2.672 19 S HA 0.296 4.764 4.470 -0.003 0.000 0.271 19 S C 0.323 174.923 174.600 -0.001 0.000 1.171 19 S CA -0.535 57.669 58.200 0.007 0.000 0.817 19 S CB 1.568 64.762 63.200 -0.010 0.000 1.150 19 S HN 0.207 nan 8.310 nan 0.000 0.478 20 E N 0.075 120.277 120.200 0.004 0.000 2.338 20 E HA -0.062 4.287 4.350 -0.003 0.000 0.197 20 E C 0.950 177.520 176.600 -0.050 0.000 1.007 20 E CA 1.580 57.976 56.400 -0.006 0.000 0.849 20 E CB -0.073 29.632 29.700 0.009 0.000 0.774 20 E HN 0.773 nan 8.360 nan 0.000 0.506 21 T N -3.046 111.477 114.554 -0.050 0.000 3.091 21 T HA 0.238 4.586 4.350 -0.003 0.000 0.277 21 T C 0.169 174.821 174.700 -0.080 0.000 0.996 21 T CA -0.520 61.541 62.100 -0.065 0.000 0.897 21 T CB 0.446 69.290 68.868 -0.041 0.000 1.109 21 T HN -0.092 nan 8.240 nan 0.000 0.534 22 Q N 1.020 120.763 119.800 -0.096 0.000 2.321 22 Q HA 0.680 5.018 4.340 -0.003 0.000 0.270 22 Q C -1.910 173.969 176.000 -0.201 0.000 1.032 22 Q CA -0.871 54.851 55.803 -0.136 0.000 0.784 22 Q CB 2.847 31.524 28.738 -0.102 0.000 1.264 22 Q HN 0.226 nan 8.270 nan 0.000 0.448 23 L N 2.259 123.304 121.223 -0.296 0.000 2.305 23 L HA 0.463 4.801 4.340 -0.003 0.000 0.284 23 L C -0.934 175.661 176.870 -0.459 0.000 1.013 23 L CA -0.347 54.243 54.840 -0.415 0.000 0.819 23 L CB 1.074 42.832 42.059 -0.501 0.000 1.227 23 L HN 0.445 nan 8.230 nan 0.000 0.417 24 R N 3.623 123.796 120.500 -0.545 0.000 2.308 24 R HA 0.577 4.916 4.340 -0.003 0.000 0.305 24 R C -1.348 174.592 176.300 -0.599 0.000 1.053 24 R CA -0.323 55.415 56.100 -0.605 0.000 0.957 24 R CB 1.371 31.124 30.300 -0.910 0.000 1.022 24 R HN 0.477 nan 8.270 nan 0.000 0.461 25 V N 5.047 124.732 119.914 -0.382 0.000 2.656 25 V HA 0.506 4.625 4.120 -0.003 0.000 0.307 25 V C -0.032 176.052 176.094 -0.016 0.000 1.051 25 V CA -0.804 61.383 62.300 -0.190 0.000 0.893 25 V CB 2.436 34.073 31.823 -0.310 0.000 0.999 25 V HN 0.677 nan 8.190 nan 0.000 0.426 26 R N 3.302 123.882 120.500 0.133 0.000 2.803 26 R HA 0.846 5.184 4.340 -0.003 0.000 0.276 26 R C -1.460 175.077 176.300 0.395 0.000 0.978 26 R CA -0.823 55.365 56.100 0.147 0.000 0.939 26 R CB 2.612 32.816 30.300 -0.161 0.000 1.179 26 R HN 0.601 nan 8.270 nan 0.000 0.472 27 L N 0.987 122.418 121.223 0.347 0.000 2.482 27 L HA 0.536 4.874 4.340 -0.003 0.000 0.263 27 L C -1.239 175.843 176.870 0.354 0.000 0.957 27 L CA -0.689 54.327 54.840 0.293 0.000 0.836 27 L CB 2.064 44.062 42.059 -0.101 0.000 1.324 27 L HN 0.572 nan 8.230 nan 0.000 0.406 28 R N 3.898 124.572 120.500 0.291 0.000 2.664 28 R HA 0.947 5.285 4.340 -0.003 0.000 0.286 28 R C -1.533 174.809 176.300 0.071 0.000 0.967 28 R CA -0.088 56.036 56.100 0.039 0.000 0.933 28 R CB 1.964 32.196 30.300 -0.113 0.000 1.146 28 R HN 0.811 nan 8.270 nan 0.000 0.468 29 A N 3.060 125.948 122.820 0.115 0.000 2.612 29 A HA 0.279 4.598 4.320 -0.003 0.000 0.293 29 A C -1.442 176.314 177.584 0.287 0.000 1.075 29 A CA -0.878 51.282 52.037 0.205 0.000 0.680 29 A CB 1.271 20.390 19.000 0.199 0.000 1.279 29 A HN 0.782 nan 8.150 nan 0.000 0.411 30 K N 1.270 121.799 120.400 0.215 0.000 2.511 30 K HA 0.020 4.338 4.320 -0.003 0.000 0.280 30 K C 0.228 176.858 176.600 0.051 0.000 1.008 30 K CA 0.176 56.508 56.287 0.073 0.000 1.050 30 K CB 0.289 32.788 32.500 -0.002 0.000 0.889 30 K HN 0.640 nan 8.250 nan 0.000 0.484 31 K N 2.902 123.290 120.400 -0.019 0.000 2.504 31 K HA -0.123 4.195 4.320 -0.003 0.000 0.278 31 K C 0.709 177.321 176.600 0.020 0.000 1.025 31 K CA 1.326 57.613 56.287 0.000 0.000 1.093 31 K CB -0.144 32.330 32.500 -0.043 0.000 0.873 31 K HN 0.884 nan 8.250 nan 0.000 0.483 32 G N 3.848 112.684 108.800 0.060 0.000 2.234 32 G HA2 -0.269 3.690 3.960 -0.003 0.000 0.260 32 G HA3 -0.269 3.690 3.960 -0.003 0.000 0.260 32 G C 0.541 175.480 174.900 0.065 0.000 0.987 32 G CA 0.441 45.577 45.100 0.060 0.000 0.625 32 G HN 0.780 nan 8.290 nan 0.000 0.532 33 D N -0.281 120.161 120.400 0.070 0.000 2.224 33 D HA 0.219 4.857 4.640 -0.003 0.000 0.205 33 D C 1.159 177.489 176.300 0.050 0.000 0.965 33 D CA 1.229 55.256 54.000 0.045 0.000 0.852 33 D CB 0.295 41.113 40.800 0.029 0.000 0.947 33 D HN 0.393 nan 8.370 nan 0.000 0.494 34 V N 1.100 121.081 119.914 0.112 0.000 2.487 34 V HA 0.164 4.283 4.120 -0.003 0.000 0.298 34 V C 1.149 177.317 176.094 0.123 0.000 1.028 34 V CA -0.544 61.779 62.300 0.040 0.000 0.860 34 V CB 2.098 33.848 31.823 -0.121 0.000 0.991 34 V HN -0.033 nan 8.190 nan 0.000 0.427 35 V N 1.912 121.851 119.914 0.042 0.000 3.431 35 V HA 0.446 4.564 4.120 -0.003 0.000 0.253 35 V C 0.716 176.840 176.094 0.051 0.000 1.184 35 V CA 0.428 62.784 62.300 0.093 0.000 1.104 35 V CB -0.047 31.813 31.823 0.062 0.000 0.799 35 V HN 0.730 nan 8.190 nan 0.000 0.462 36 R N -0.446 120.010 120.500 -0.073 0.000 2.533 36 R HA 0.627 4.965 4.340 -0.003 0.000 0.288 36 R C -2.075 174.086 176.300 -0.231 0.000 1.039 36 R CA -0.218 55.827 56.100 -0.093 0.000 0.909 36 R CB 1.924 32.207 30.300 -0.027 0.000 1.195 36 R HN 0.368 nan 8.270 nan 0.000 0.438 37 C N 4.118 123.262 119.300 -0.260 0.000 2.346 37 C HA 0.519 4.977 4.460 -0.003 0.000 0.326 37 C C -0.643 174.348 174.990 0.002 0.000 1.224 37 C CA -0.283 58.596 59.018 -0.233 0.000 1.408 37 C CB 0.896 28.301 27.740 -0.558 0.000 2.089 37 C HN 0.989 nan 8.230 nan 0.000 0.456 38 E N 3.861 124.101 120.200 0.066 0.000 2.256 38 E HA 0.734 5.083 4.350 -0.003 0.000 0.267 38 E C -1.452 175.205 176.600 0.095 0.000 0.892 38 E CA -0.517 55.939 56.400 0.094 0.000 0.775 38 E CB 2.045 31.805 29.700 0.099 0.000 1.207 38 E HN 0.575 nan 8.360 nan 0.000 0.420 39 V N 4.965 124.899 119.914 0.033 0.000 2.417 39 V HA 0.351 4.469 4.120 -0.003 0.000 0.291 39 V C -0.246 175.861 176.094 0.022 0.000 1.024 39 V CA -0.725 61.517 62.300 -0.097 0.000 0.861 39 V CB 1.218 32.864 31.823 -0.295 0.000 0.985 39 V HN 0.608 nan 8.190 nan 0.000 0.436 40 L N 6.670 127.889 121.223 -0.007 0.000 2.287 40 L HA 0.669 5.007 4.340 -0.003 0.000 0.287 40 L C -0.612 176.304 176.870 0.077 0.000 1.022 40 L CA -0.512 54.285 54.840 -0.073 0.000 0.814 40 L CB 1.009 42.998 42.059 -0.117 0.000 1.217 40 L HN 0.827 nan 8.230 nan 0.000 0.420 41 Y N 2.192 122.413 120.300 -0.131 0.000 2.644 41 Y HA 0.952 5.501 4.550 -0.003 0.000 0.338 41 Y C -0.770 175.102 175.900 -0.046 0.000 1.119 41 Y CA -1.064 57.004 58.100 -0.054 0.000 1.060 41 Y CB 1.848 40.281 38.460 -0.046 0.000 1.294 41 Y HN 0.585 nan 8.280 nan 0.000 0.472 42 A N 0.758 123.638 122.820 0.100 0.000 2.540 42 A HA 0.435 4.753 4.320 -0.003 0.000 0.291 42 A C -1.963 175.678 177.584 0.095 0.000 1.083 42 A CA -0.597 51.442 52.037 0.004 0.000 0.650 42 A CB 0.906 19.877 19.000 -0.049 0.000 1.292 42 A HN 0.906 nan 8.150 nan 0.000 0.435 43 D N -0.379 120.062 120.400 0.069 0.000 2.423 43 D HA 0.260 4.898 4.640 -0.003 0.000 0.238 43 D C 1.187 177.538 176.300 0.083 0.000 1.142 43 D CA 0.119 54.181 54.000 0.104 0.000 0.884 43 D CB 0.651 41.518 40.800 0.110 0.000 1.199 43 D HN 0.434 nan 8.370 nan 0.000 0.438 44 R N 1.878 122.430 120.500 0.087 0.000 2.193 44 R HA -0.145 4.193 4.340 -0.003 0.000 0.229 44 R C 0.527 176.669 176.300 -0.264 0.000 1.110 44 R CA 1.010 57.058 56.100 -0.086 0.000 0.988 44 R CB -0.111 30.110 30.300 -0.133 0.000 0.871 44 R HN 0.597 nan 8.270 nan 0.000 0.458 45 Y N -0.391 119.922 120.300 0.023 0.000 2.607 45 Y HA 0.364 4.912 4.550 -0.003 0.000 0.266 45 Y C 0.554 176.455 175.900 0.003 0.000 1.178 45 Y CA -0.741 57.367 58.100 0.013 0.000 1.226 45 Y CB 0.278 38.750 38.460 0.020 0.000 1.144 45 Y HN -0.039 nan 8.280 nan 0.000 0.528 46 A N 0.363 123.235 122.820 0.086 0.000 2.462 46 A HA 0.285 4.603 4.320 -0.003 0.000 0.243 46 A C 0.786 178.381 177.584 0.019 0.000 1.076 46 A CA -0.106 51.959 52.037 0.046 0.000 0.773 46 A CB 0.178 19.186 19.000 0.014 0.000 1.010 46 A HN 0.255 nan 8.150 nan 0.000 0.493 47 S N 2.102 117.812 115.700 0.017 0.000 2.563 47 S HA 0.172 4.640 4.470 -0.003 0.000 0.284 47 S C -1.420 173.171 174.600 -0.015 0.000 1.331 47 S CA -0.710 57.492 58.200 0.004 0.000 1.047 47 S CB 0.231 63.433 63.200 0.004 0.000 0.859 47 S HN 0.489 nan 8.310 nan 0.000 0.514 48 P HA -0.074 nan 4.420 nan 0.000 0.226 48 P C 0.490 177.770 177.300 -0.034 0.000 1.146 48 P CA 1.059 64.138 63.100 -0.035 0.000 0.773 48 P CB -0.033 31.646 31.700 -0.034 0.000 0.772 49 E N -1.974 118.211 120.200 -0.025 0.000 2.498 49 E HA 0.080 4.428 4.350 -0.003 0.000 0.203 49 E C 0.252 176.839 176.600 -0.021 0.000 1.013 49 E CA -0.305 56.082 56.400 -0.022 0.000 0.927 49 E CB -0.131 29.560 29.700 -0.015 0.000 1.012 49 E HN 0.097 nan 8.360 nan 0.000 0.482 50 E N 1.818 122.004 120.200 -0.023 0.000 2.438 50 E HA -0.035 4.314 4.350 -0.003 0.000 0.261 50 E C -0.386 176.195 176.600 -0.032 0.000 1.103 50 E CA 0.355 56.740 56.400 -0.024 0.000 0.959 50 E CB 0.622 30.307 29.700 -0.026 0.000 0.958 50 E HN 0.165 nan 8.360 nan 0.000 0.447 51 E N 1.706 121.888 120.200 -0.030 0.000 2.105 51 E HA 0.138 4.486 4.350 -0.003 0.000 0.285 51 E C -0.541 176.025 176.600 -0.058 0.000 1.055 51 E CA -0.184 56.201 56.400 -0.025 0.000 0.843 51 E CB 0.088 29.780 29.700 -0.013 0.000 1.067 51 E HN 0.273 nan 8.360 nan 0.000 0.398 52 L N 3.005 124.183 121.223 -0.075 0.000 2.485 52 L HA 0.211 4.549 4.340 -0.003 0.000 0.275 52 L C 0.660 177.396 176.870 -0.223 0.000 1.207 52 L CA -0.335 54.402 54.840 -0.172 0.000 0.855 52 L CB 0.547 42.486 42.059 -0.200 0.000 1.114 52 L HN 0.574 nan 8.230 nan 0.000 0.485 53 A N 3.616 126.169 122.820 -0.445 0.000 2.304 53 A HA 0.439 4.757 4.320 -0.003 0.000 0.271 53 A C -0.420 176.881 177.584 -0.471 0.000 1.091 53 A CA -0.353 51.365 52.037 -0.532 0.000 0.812 53 A CB 0.312 18.632 19.000 -1.133 0.000 1.056 53 A HN 0.768 nan 8.150 nan 0.000 0.489 54 H N -0.232 118.734 119.070 -0.173 0.000 2.538 54 H HA 0.617 5.171 4.556 -0.003 0.000 0.353 54 H C -0.561 174.862 175.328 0.159 0.000 1.109 54 H CA -0.153 55.912 56.048 0.028 0.000 1.192 54 H CB 2.070 31.840 29.762 0.014 0.000 1.555 54 H HN 0.837 nan 8.280 nan 0.000 0.518 55 A N 3.525 126.518 122.820 0.289 0.000 2.402 55 A HA 0.332 4.651 4.320 -0.003 0.000 0.291 55 A C -1.340 176.312 177.584 0.114 0.000 1.051 55 A CA -0.619 51.530 52.037 0.187 0.000 0.716 55 A CB 1.334 20.401 19.000 0.112 0.000 1.223 55 A HN 0.454 nan 8.150 nan 0.000 0.425 56 L N 2.730 124.013 121.223 0.100 0.000 2.305 56 L HA 0.733 5.071 4.340 -0.003 0.000 0.281 56 L C 0.480 177.404 176.870 0.091 0.000 1.085 56 L CA 0.100 54.996 54.840 0.093 0.000 0.813 56 L CB 1.134 43.244 42.059 0.086 0.000 1.157 56 L HN 0.874 nan 8.230 nan 0.000 0.436 57 A N 3.769 126.661 122.820 0.119 0.000 2.310 57 A HA 0.729 5.048 4.320 -0.003 0.000 0.299 57 A C 0.254 177.977 177.584 0.231 0.000 1.147 57 A CA 0.057 52.196 52.037 0.171 0.000 0.818 57 A CB 0.398 19.542 19.000 0.241 0.000 1.096 57 A HN 0.905 nan 8.150 nan 0.000 0.495 58 G N 0.539 109.462 108.800 0.205 0.000 2.434 58 G HA2 0.478 4.436 3.960 -0.003 0.000 0.330 58 G HA3 0.478 4.436 3.960 -0.003 0.000 0.330 58 G C -0.219 174.807 174.900 0.211 0.000 1.155 58 G CA -0.738 44.479 45.100 0.195 0.000 0.917 58 G HN 0.795 nan 8.290 nan 0.000 0.493 59 K N 0.994 121.474 120.400 0.133 0.000 2.315 59 K HA 0.340 4.658 4.320 -0.003 0.000 0.291 59 K C 1.151 177.714 176.600 -0.063 0.000 1.074 59 K CA -0.046 56.167 56.287 -0.123 0.000 0.936 59 K CB 0.525 32.949 32.500 -0.126 0.000 1.049 59 K HN 0.396 nan 8.250 nan 0.000 0.471 60 A N 3.746 126.530 122.820 -0.060 0.000 2.167 60 A HA 0.205 4.523 4.320 -0.003 0.000 0.214 60 A C 0.793 178.379 177.584 0.004 0.000 1.151 60 A CA 0.993 53.026 52.037 -0.006 0.000 0.735 60 A CB -0.074 18.928 19.000 0.005 0.000 0.802 60 A HN 0.895 nan 8.150 nan 0.000 0.467 61 G N -2.714 106.092 108.800 0.009 0.000 2.337 61 G HA2 0.451 4.410 3.960 -0.003 0.000 0.298 61 G HA3 0.451 4.410 3.960 -0.003 0.000 0.298 61 G C -1.206 173.787 174.900 0.154 0.000 1.335 61 G CA 0.023 45.165 45.100 0.069 0.000 0.875 61 G HN 0.630 nan 8.290 nan 0.000 0.579 62 S N 0.148 115.954 115.700 0.177 0.000 2.546 62 S HA 0.685 5.153 4.470 -0.003 0.000 0.272 62 S C -0.706 174.019 174.600 0.208 0.000 1.140 62 S CA -0.453 57.865 58.200 0.197 0.000 0.920 62 S CB 2.168 65.413 63.200 0.075 0.000 1.083 62 S HN 1.068 nan 8.310 nan 0.000 0.476 63 D N 0.965 121.532 120.400 0.279 0.000 2.538 63 D HA 0.340 4.978 4.640 -0.003 0.000 0.262 63 D C 0.775 177.130 176.300 0.091 0.000 1.186 63 D CA -0.570 53.547 54.000 0.194 0.000 1.090 63 D CB -0.053 40.924 40.800 0.296 0.000 1.187 63 D HN 0.462 nan 8.370 nan 0.000 0.614 64 E N -1.304 118.927 120.200 0.052 0.000 2.274 64 E HA -0.003 4.345 4.350 -0.003 0.000 0.194 64 E C 1.731 178.270 176.600 -0.102 0.000 0.996 64 E CA 0.649 57.040 56.400 -0.014 0.000 0.840 64 E CB 0.232 29.922 29.700 -0.017 0.000 0.772 64 E HN 0.251 nan 8.360 nan 0.000 0.491 65 R N -1.546 118.836 120.500 -0.197 0.000 2.310 65 R HA 0.178 4.516 4.340 -0.003 0.000 0.199 65 R C -0.205 175.684 176.300 -0.686 0.000 0.891 65 R CA 0.029 55.796 56.100 -0.554 0.000 1.060 65 R CB 0.743 30.465 30.300 -0.964 0.000 1.188 65 R HN -0.076 nan 8.270 nan 0.000 0.607 66 F N -0.045 119.860 119.950 -0.074 0.000 2.631 66 F HA 0.427 4.953 4.527 -0.003 0.000 0.328 66 F C -0.260 175.391 175.800 -0.248 0.000 1.067 66 F CA -1.360 56.521 58.000 -0.198 0.000 0.969 66 F CB 0.949 39.715 39.000 -0.390 0.000 1.332 66 F HN -0.329 nan 8.300 nan 0.000 0.490 67 D N -0.081 120.278 120.400 -0.068 0.000 2.185 67 D HA 0.319 4.958 4.640 -0.003 0.000 0.247 67 D C -1.404 174.646 176.300 -0.416 0.000 1.027 67 D CA -0.219 53.663 54.000 -0.197 0.000 0.861 67 D CB 1.605 42.282 40.800 -0.204 0.000 1.202 67 D HN 0.321 nan 8.370 nan 0.000 0.453 68 Y N 0.952 121.093 120.300 -0.265 0.000 2.341 68 Y HA 0.420 4.968 4.550 -0.003 0.000 0.338 68 Y C -0.237 175.421 175.900 -0.402 0.000 0.965 68 Y CA -0.809 57.184 58.100 -0.178 0.000 1.108 68 Y CB 1.038 39.455 38.460 -0.071 0.000 1.180 68 Y HN 0.166 nan 8.280 nan 0.000 0.458 69 F N 1.504 121.564 119.950 0.182 0.000 2.458 69 F HA 0.529 5.054 4.527 -0.003 0.000 0.330 69 F C -0.006 175.863 175.800 0.115 0.000 1.082 69 F CA -0.974 57.105 58.000 0.132 0.000 0.995 69 F CB 1.816 40.883 39.000 0.112 0.000 1.170 69 F HN 0.379 nan 8.300 nan 0.000 0.478 70 E N 1.462 121.807 120.200 0.241 0.000 2.278 70 E HA 0.751 5.099 4.350 -0.003 0.000 0.272 70 E C -1.725 174.922 176.600 0.078 0.000 0.890 70 E CA -0.674 55.796 56.400 0.116 0.000 0.770 70 E CB 1.851 31.577 29.700 0.043 0.000 1.212 70 E HN 0.761 nan 8.360 nan 0.000 0.415 71 A N 3.283 126.107 122.820 0.007 0.000 2.479 71 A HA 0.748 5.066 4.320 -0.003 0.000 0.296 71 A C -1.855 175.633 177.584 -0.160 0.000 1.121 71 A CA -0.709 51.296 52.037 -0.052 0.000 0.743 71 A CB 1.467 20.433 19.000 -0.056 0.000 1.323 71 A HN 0.463 nan 8.150 nan 0.000 0.415 72 L N 0.952 122.076 121.223 -0.164 0.000 2.325 72 L HA 0.676 5.014 4.340 -0.003 0.000 0.281 72 L C -1.635 175.062 176.870 -0.288 0.000 1.004 72 L CA -0.494 54.217 54.840 -0.215 0.000 0.823 72 L CB 1.293 43.272 42.059 -0.133 0.000 1.236 72 L HN 0.508 nan 8.230 nan 0.000 0.415 73 L N 5.015 125.978 121.223 -0.433 0.000 2.272 73 L HA 0.453 4.791 4.340 -0.003 0.000 0.289 73 L C 0.020 176.686 176.870 -0.340 0.000 1.032 73 L CA -0.197 54.250 54.840 -0.655 0.000 0.810 73 L CB 1.163 42.622 42.059 -1.000 0.000 1.205 73 L HN 0.491 nan 8.230 nan 0.000 0.422 74 E N 2.810 122.951 120.200 -0.098 0.000 2.052 74 E HA 0.174 4.523 4.350 -0.003 0.000 0.283 74 E C -0.849 175.816 176.600 0.110 0.000 1.071 74 E CA -0.011 56.407 56.400 0.030 0.000 0.851 74 E CB 0.737 30.492 29.700 0.092 0.000 1.066 74 E HN 0.463 nan 8.360 nan 0.000 0.396 75 C N 2.920 122.227 119.300 0.012 0.000 2.357 75 C HA 0.122 4.580 4.460 -0.003 0.000 0.300 75 C C 1.927 176.915 174.990 -0.004 0.000 1.074 75 C CA -0.671 58.366 59.018 0.032 0.000 1.566 75 C CB -0.930 26.796 27.740 -0.024 0.000 1.791 75 C HN 0.711 nan 8.230 nan 0.000 0.415 76 S N 1.398 117.107 115.700 0.015 0.000 2.400 76 S HA -0.205 4.263 4.470 -0.003 0.000 0.232 76 S C 1.684 176.271 174.600 -0.020 0.000 1.025 76 S CA 2.171 60.369 58.200 -0.004 0.000 0.993 76 S CB -0.723 62.481 63.200 0.007 0.000 0.808 76 S HN 0.826 nan 8.310 nan 0.000 0.478 77 T N -1.065 113.482 114.554 -0.012 0.000 3.085 77 T HA 0.211 4.559 4.350 -0.003 0.000 0.263 77 T C 0.720 175.354 174.700 -0.110 0.000 1.127 77 T CA 0.580 62.667 62.100 -0.022 0.000 1.103 77 T CB -0.698 68.187 68.868 0.028 0.000 0.921 77 T HN 0.572 nan 8.240 nan 0.000 0.510 78 K N 0.034 120.347 120.400 -0.146 0.000 3.446 78 K HA -0.155 4.164 4.320 -0.003 0.000 0.312 78 K C -0.415 175.991 176.600 -0.323 0.000 1.329 78 K CA 0.734 56.837 56.287 -0.307 0.000 0.935 78 K CB -1.324 30.839 32.500 -0.561 0.000 1.281 78 K HN 0.524 nan 8.250 nan 0.000 0.457 79 R N 0.420 120.865 120.500 -0.092 0.000 2.514 79 R HA 0.593 4.931 4.340 -0.003 0.000 0.296 79 R C -1.290 175.080 176.300 0.116 0.000 1.012 79 R CA -0.742 55.390 56.100 0.054 0.000 0.897 79 R CB 2.690 33.089 30.300 0.165 0.000 1.184 79 R HN -0.011 nan 8.270 nan 0.000 0.440 80 V N 3.238 123.252 119.914 0.168 0.000 2.888 80 V HA 0.535 4.653 4.120 -0.003 0.000 0.309 80 V C -1.490 174.758 176.094 0.257 0.000 1.114 80 V CA -0.751 61.673 62.300 0.205 0.000 0.940 80 V CB 2.234 34.162 31.823 0.176 0.000 1.021 80 V HN 0.791 nan 8.190 nan 0.000 0.426 81 K N 5.702 126.227 120.400 0.209 0.000 2.259 81 K HA 0.816 5.134 4.320 -0.003 0.000 0.252 81 K C -1.587 175.130 176.600 0.196 0.000 0.936 81 K CA -0.654 55.693 56.287 0.100 0.000 0.810 81 K CB 2.140 34.625 32.500 -0.024 0.000 1.143 81 K HN 0.784 nan 8.250 nan 0.000 0.427 82 Y N -1.726 118.567 120.300 -0.011 0.000 2.609 82 Y HA 0.708 5.257 4.550 -0.003 0.000 0.336 82 Y C -1.740 174.087 175.900 -0.121 0.000 1.129 82 Y CA -1.411 56.644 58.100 -0.074 0.000 1.040 82 Y CB 1.480 39.838 38.460 -0.170 0.000 1.310 82 Y HN 0.388 nan 8.280 nan 0.000 0.460 83 V N 2.513 122.412 119.914 -0.026 0.000 2.925 83 V HA 0.641 4.760 4.120 -0.003 0.000 0.311 83 V C -1.711 174.374 176.094 -0.014 0.000 1.104 83 V CA -1.127 61.157 62.300 -0.026 0.000 0.954 83 V CB 1.887 33.714 31.823 0.006 0.000 1.022 83 V HN 0.706 nan 8.190 nan 0.000 0.427 84 F N 5.621 125.688 119.950 0.195 0.000 2.379 84 F HA 0.673 5.198 4.527 -0.003 0.000 0.332 84 F C -0.103 175.806 175.800 0.181 0.000 1.096 84 F CA -0.594 57.519 58.000 0.189 0.000 1.105 84 F CB 1.681 40.823 39.000 0.236 0.000 1.189 84 F HN 0.359 nan 8.300 nan 0.000 0.515 85 L N 4.797 126.166 121.223 0.242 0.000 2.345 85 L HA 0.542 4.880 4.340 -0.003 0.000 0.274 85 L C -1.388 175.478 176.870 -0.006 0.000 0.999 85 L CA -0.474 54.346 54.840 -0.032 0.000 0.849 85 L CB 0.666 42.660 42.059 -0.109 0.000 1.220 85 L HN 0.455 nan 8.230 nan 0.000 0.422 86 L N 4.443 125.654 121.223 -0.019 0.000 2.295 86 L HA 0.647 4.985 4.340 -0.003 0.000 0.285 86 L C -0.077 176.747 176.870 -0.077 0.000 1.035 86 L CA -0.444 54.367 54.840 -0.048 0.000 0.806 86 L CB 1.746 43.803 42.059 -0.003 0.000 1.214 86 L HN 0.511 nan 8.230 nan 0.000 0.426 87 T N 1.546 116.047 114.554 -0.088 0.000 2.792 87 T HA 0.496 4.844 4.350 -0.003 0.000 0.280 87 T C 0.399 175.072 174.700 -0.046 0.000 0.990 87 T CA -0.542 61.522 62.100 -0.061 0.000 0.960 87 T CB 1.753 70.592 68.868 -0.048 0.000 0.939 87 T HN 0.755 nan 8.240 nan 0.000 0.439 88 G N 2.730 111.512 108.800 -0.031 0.000 2.588 88 G HA2 0.416 4.375 3.960 -0.003 0.000 0.281 88 G HA3 0.416 4.375 3.960 -0.003 0.000 0.281 88 G C -1.676 173.223 174.900 -0.002 0.000 1.236 88 G CA -1.566 43.525 45.100 -0.015 0.000 0.969 88 G HN 0.379 nan 8.290 nan 0.000 0.504 89 P HA -0.057 nan 4.420 nan 0.000 0.218 89 P C 1.270 178.574 177.300 0.007 0.000 1.148 89 P CA 1.144 64.251 63.100 0.012 0.000 0.822 89 P CB 0.228 31.937 31.700 0.014 0.000 0.784 90 Q N -1.465 118.336 119.800 0.001 0.000 2.247 90 Q HA 0.294 4.633 4.340 -0.003 0.000 0.205 90 Q C 1.051 177.050 176.000 -0.001 0.000 0.896 90 Q CA 0.435 56.238 55.803 0.000 0.000 0.950 90 Q CB -0.168 28.568 28.738 -0.002 0.000 1.054 90 Q HN 0.194 nan 8.270 nan 0.000 0.482 91 G N 1.979 110.777 108.800 -0.002 0.000 2.179 91 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.260 91 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.260 91 G C 0.038 174.931 174.900 -0.010 0.000 0.977 91 G CA 0.278 45.375 45.100 -0.005 0.000 0.641 91 G HN 0.489 nan 8.290 nan 0.000 0.533 92 E N 0.694 120.887 120.200 -0.012 0.000 2.415 92 E HA 0.502 4.850 4.350 -0.003 0.000 0.260 92 E C 0.195 176.778 176.600 -0.028 0.000 1.016 92 E CA 0.438 56.828 56.400 -0.016 0.000 0.924 92 E CB 1.108 30.797 29.700 -0.017 0.000 0.961 92 E HN 1.191 nan 8.360 nan 0.000 0.459 93 A N 3.246 126.046 122.820 -0.033 0.000 2.337 93 A HA 0.637 4.955 4.320 -0.003 0.000 0.329 93 A C -0.702 176.844 177.584 -0.063 0.000 1.146 93 A CA -0.775 51.219 52.037 -0.071 0.000 0.800 93 A CB 1.475 20.415 19.000 -0.100 0.000 1.220 93 A HN 0.448 nan 8.150 nan 0.000 0.472 94 V N 1.342 121.203 119.914 -0.088 0.000 2.851 94 V HA 0.325 4.443 4.120 -0.003 0.000 0.307 94 V C -1.444 174.652 176.094 0.004 0.000 1.129 94 V CA -0.610 61.703 62.300 0.022 0.000 0.932 94 V CB 1.420 33.323 31.823 0.133 0.000 1.024 94 V HN 0.829 nan 8.190 nan 0.000 0.426 95 Y N 3.125 123.552 120.300 0.211 0.000 2.310 95 Y HA 0.626 5.174 4.550 -0.003 0.000 0.326 95 Y C -0.319 175.759 175.900 0.296 0.000 1.151 95 Y CA -0.278 57.948 58.100 0.211 0.000 1.195 95 Y CB 1.652 40.181 38.460 0.115 0.000 1.210 95 Y HN 0.677 nan 8.280 nan 0.000 0.483 96 F N 2.880 122.977 119.950 0.244 0.000 2.539 96 F HA 0.746 5.272 4.527 -0.003 0.000 0.328 96 F C -0.197 175.672 175.800 0.115 0.000 1.148 96 F CA -0.366 57.630 58.000 -0.007 0.000 0.940 96 F CB 0.805 39.805 39.000 -0.001 0.000 1.194 96 F HN 0.583 nan 8.300 nan 0.000 0.438 97 G N 3.751 112.268 108.800 -0.471 0.000 3.022 97 G HA2 0.157 4.116 3.960 -0.003 0.000 0.284 97 G HA3 0.157 4.116 3.960 -0.003 0.000 0.284 97 G C -0.102 173.861 174.900 -1.561 0.000 1.375 97 G CA -0.494 44.041 45.100 -0.940 0.000 0.902 97 G HN 0.664 nan 8.290 nan 0.000 0.538 98 E N -1.013 118.115 120.200 -1.787 0.000 2.118 98 E HA -0.150 4.198 4.350 -0.003 0.000 0.195 98 E C 2.234 178.503 176.600 -0.551 0.000 0.992 98 E CA 1.883 57.540 56.400 -1.239 0.000 0.804 98 E CB -0.040 29.201 29.700 -0.764 0.000 0.741 98 E HN 0.435 nan 8.360 nan 0.000 0.458 99 T N -0.455 113.844 114.554 -0.425 0.000 2.821 99 T HA 0.105 4.453 4.350 -0.003 0.000 0.267 99 T C 0.765 175.384 174.700 -0.134 0.000 1.046 99 T CA 0.933 62.904 62.100 -0.216 0.000 1.139 99 T CB 0.183 68.950 68.868 -0.167 0.000 0.871 99 T HN 0.477 nan 8.240 nan 0.000 0.454 100 G N -0.066 108.629 108.800 -0.176 0.000 2.403 100 G HA2 0.338 4.296 3.960 -0.003 0.000 0.223 100 G HA3 0.338 4.296 3.960 -0.003 0.000 0.223 100 G C -1.862 172.987 174.900 -0.085 0.000 1.287 100 G CA -1.101 43.966 45.100 -0.056 0.000 0.982 100 G HN 0.157 nan 8.290 nan 0.000 0.471 101 F N 1.008 121.082 119.950 0.207 0.000 2.450 101 F HA 0.857 5.382 4.527 -0.003 0.000 0.332 101 F C 0.715 176.600 175.800 0.140 0.000 1.093 101 F CA -0.131 57.991 58.000 0.203 0.000 1.003 101 F CB 2.334 41.409 39.000 0.125 0.000 1.151 101 F HN 0.622 nan 8.300 nan 0.000 0.474 102 S N 0.498 116.404 115.700 0.343 0.000 2.567 102 S HA 0.639 5.107 4.470 -0.003 0.000 0.270 102 S C 0.044 174.818 174.600 0.290 0.000 1.152 102 S CA -0.003 58.342 58.200 0.241 0.000 0.835 102 S CB 1.216 64.508 63.200 0.154 0.000 1.115 102 S HN 0.791 nan 8.310 nan 0.000 0.459 103 A N 1.539 124.493 122.820 0.223 0.000 2.123 103 A HA 0.319 4.637 4.320 -0.003 0.000 0.214 103 A C 0.455 178.224 177.584 0.309 0.000 1.152 103 A CA 0.512 52.698 52.037 0.248 0.000 0.728 103 A CB -0.255 18.832 19.000 0.145 0.000 0.814 103 A HN 0.752 nan 8.150 nan 0.000 0.464 104 E N -0.060 120.243 120.200 0.171 0.000 2.081 104 E HA 0.255 4.603 4.350 -0.003 0.000 0.281 104 E C 0.621 177.134 176.600 -0.144 0.000 0.986 104 E CA -0.501 55.915 56.400 0.027 0.000 0.796 104 E CB 1.150 30.851 29.700 0.002 0.000 1.085 104 E HN 0.419 nan 8.360 nan 0.000 0.398 105 R N 2.430 122.588 120.500 -0.571 0.000 2.140 105 R HA -0.256 4.082 4.340 -0.003 0.000 0.250 105 R C 2.178 178.244 176.300 -0.390 0.000 1.150 105 R CA 2.259 57.792 56.100 -0.945 0.000 0.966 105 R CB -0.173 29.440 30.300 -1.146 0.000 0.869 105 R HN 0.467 nan 8.270 nan 0.000 0.445 106 S N -0.005 115.538 115.700 -0.260 0.000 2.370 106 S HA -0.166 4.302 4.470 -0.003 0.000 0.226 106 S C 1.615 176.139 174.600 -0.126 0.000 1.033 106 S CA 1.699 59.800 58.200 -0.166 0.000 1.011 106 S CB -0.085 63.044 63.200 -0.118 0.000 0.852 106 S HN 0.460 nan 8.310 nan 0.000 0.457 107 K N 0.603 120.949 120.400 -0.090 0.000 2.365 107 K HA 0.182 4.500 4.320 -0.003 0.000 0.199 107 K C 2.113 178.683 176.600 -0.049 0.000 1.045 107 K CA 0.752 57.009 56.287 -0.051 0.000 0.962 107 K CB -0.204 32.292 32.500 -0.007 0.000 0.759 107 K HN 0.448 nan 8.250 nan 0.000 0.469 108 A N 1.461 124.246 122.820 -0.059 0.000 2.119 108 A HA 0.172 4.490 4.320 -0.003 0.000 0.216 108 A C 1.131 178.602 177.584 -0.189 0.000 1.152 108 A CA 0.956 52.958 52.037 -0.059 0.000 0.708 108 A CB -0.533 18.489 19.000 0.036 0.000 0.805 108 A HN 0.388 nan 8.150 nan 0.000 0.460 109 G N -1.948 106.736 108.800 -0.194 0.000 2.645 109 G HA2 0.030 3.988 3.960 -0.003 0.000 0.239 109 G HA3 0.030 3.988 3.960 -0.003 0.000 0.239 109 G C -0.261 174.446 174.900 -0.323 0.000 1.331 109 G CA -0.051 44.898 45.100 -0.251 0.000 0.890 109 G HN 1.481 nan 8.290 nan 0.000 0.572 110 V N -0.135 119.545 119.914 -0.391 0.000 2.851 110 V HA 0.660 4.778 4.120 -0.003 0.000 0.307 110 V C -0.322 175.451 176.094 -0.535 0.000 1.129 110 V CA -0.988 61.059 62.300 -0.423 0.000 0.932 110 V CB 1.519 33.183 31.823 -0.265 0.000 1.024 110 V HN 0.903 nan 8.190 nan 0.000 0.426 111 F N 4.013 123.615 119.950 -0.580 0.000 2.410 111 F HA 0.524 5.049 4.527 -0.003 0.000 0.334 111 F C 0.761 176.169 175.800 -0.653 0.000 1.134 111 F CA 0.251 57.853 58.000 -0.664 0.000 1.227 111 F CB 0.957 39.384 39.000 -0.955 0.000 1.194 111 F HN 0.392 nan 8.300 nan 0.000 0.571 112 Q N 2.071 121.811 119.800 -0.100 0.000 2.285 112 Q HA 0.215 4.553 4.340 -0.003 0.000 0.269 112 Q C -1.812 174.295 176.000 0.179 0.000 1.030 112 Q CA -0.865 54.947 55.803 0.015 0.000 0.788 112 Q CB 2.693 31.414 28.738 -0.029 0.000 1.266 112 Q HN 0.604 nan 8.270 nan 0.000 0.438 113 Y N 1.464 121.889 120.300 0.209 0.000 2.593 113 Y HA 0.367 4.915 4.550 -0.003 0.000 0.331 113 Y C 0.871 176.858 175.900 0.146 0.000 0.986 113 Y CA -0.188 58.029 58.100 0.194 0.000 1.262 113 Y CB 0.541 39.121 38.460 0.201 0.000 1.098 113 Y HN 0.935 nan 8.280 nan 0.000 0.506 114 A N 4.939 127.759 122.820 0.000 0.000 1.896 114 A HA -0.221 4.097 4.320 -0.003 0.000 0.220 114 A C -0.241 177.488 177.584 0.241 0.000 1.206 114 A CA 2.075 54.171 52.037 0.098 0.000 0.647 114 A CB -0.550 18.481 19.000 0.053 0.000 0.828 114 A HN 0.721 nan 8.150 nan 0.000 0.455 115 Y N -2.707 117.640 120.300 0.078 0.000 2.558 115 Y HA 0.544 5.092 4.550 -0.003 0.000 0.333 115 Y C -1.245 174.764 175.900 0.182 0.000 1.125 115 Y CA -1.069 57.083 58.100 0.087 0.000 1.039 115 Y CB 1.293 39.736 38.460 -0.029 0.000 1.331 115 Y HN 0.110 nan 8.280 nan 0.000 0.456 116 I N 5.745 126.189 120.570 -0.209 0.000 2.330 116 I HA 0.244 4.413 4.170 -0.003 0.000 0.286 116 I C -0.931 175.198 176.117 0.020 0.000 1.025 116 I CA -0.411 60.915 61.300 0.043 0.000 1.197 116 I CB 0.528 38.491 38.000 -0.061 0.000 1.358 116 I HN 0.607 nan 8.210 nan 0.000 0.467 117 H N 4.932 124.186 119.070 0.306 0.000 2.527 117 H HA 0.224 4.778 4.556 -0.003 0.000 0.321 117 H C 1.221 176.651 175.328 0.170 0.000 1.087 117 H CA -0.570 55.650 56.048 0.286 0.000 1.337 117 H CB 1.143 31.050 29.762 0.241 0.000 1.440 117 H HN 0.490 nan 8.280 nan 0.000 0.490 118 R N 1.172 121.814 120.500 0.237 0.000 2.139 118 R HA -0.174 4.164 4.340 -0.003 0.000 0.243 118 R C 1.508 177.898 176.300 0.151 0.000 1.145 118 R CA 1.826 58.020 56.100 0.155 0.000 0.976 118 R CB -0.361 30.010 30.300 0.118 0.000 0.866 118 R HN 0.550 nan 8.270 nan 0.000 0.449 119 S N 0.072 115.872 115.700 0.166 0.000 2.547 119 S HA -0.052 4.416 4.470 -0.003 0.000 0.235 119 S C 1.213 175.876 174.600 0.105 0.000 0.980 119 S CA 0.891 59.159 58.200 0.113 0.000 0.941 119 S CB 0.111 63.361 63.200 0.082 0.000 0.763 119 S HN 0.567 nan 8.310 nan 0.000 0.532 120 E N 0.451 120.744 120.200 0.155 0.000 2.501 120 E HA 0.218 4.566 4.350 -0.003 0.000 0.201 120 E C -0.868 175.826 176.600 0.157 0.000 1.016 120 E CA -0.193 56.293 56.400 0.143 0.000 0.920 120 E CB 0.980 30.800 29.700 0.199 0.000 1.023 120 E HN 0.306 nan 8.360 nan 0.000 0.474 121 V N 2.868 122.875 119.914 0.155 0.000 2.405 121 V HA 0.000 4.119 4.120 -0.003 0.000 0.264 121 V C 0.126 176.344 176.094 0.206 0.000 1.048 121 V CA -0.335 62.064 62.300 0.167 0.000 0.966 121 V CB -0.332 31.566 31.823 0.126 0.000 1.015 121 V HN 0.161 nan 8.190 nan 0.000 0.477 122 F N 5.123 125.093 119.950 0.034 0.000 2.549 122 F HA 0.111 4.637 4.527 -0.003 0.000 0.400 122 F C 0.738 176.532 175.800 -0.011 0.000 1.011 122 F CA 0.482 58.478 58.000 -0.006 0.000 1.148 122 F CB -0.107 38.856 39.000 -0.062 0.000 0.993 122 F HN 0.488 nan 8.300 nan 0.000 0.540 123 T N 4.962 119.795 114.554 0.466 0.000 2.879 123 T HA 0.481 4.829 4.350 -0.003 0.000 0.290 123 T C -0.177 174.621 174.700 0.163 0.000 0.993 123 T CA -0.688 61.528 62.100 0.194 0.000 0.975 123 T CB 1.403 70.345 68.868 0.122 0.000 0.981 123 T HN 0.688 nan 8.240 nan 0.000 0.439 124 T N 0.791 115.346 114.554 0.001 0.000 2.932 124 T HA 0.711 5.059 4.350 -0.003 0.000 0.289 124 T C -2.995 171.637 174.700 -0.115 0.000 1.039 124 T CA -2.622 59.442 62.100 -0.059 0.000 1.024 124 T CB 1.005 69.764 68.868 -0.183 0.000 1.090 124 T HN 0.134 nan 8.240 nan 0.000 0.496 125 P HA 0.188 nan 4.420 nan 0.000 0.263 125 P C 0.907 178.009 177.300 -0.330 0.000 1.195 125 P CA -0.144 62.810 63.100 -0.243 0.000 0.762 125 P CB 0.511 31.965 31.700 -0.410 0.000 0.799 126 E N 2.996 123.116 120.200 -0.134 0.000 2.097 126 E HA -0.191 4.157 4.350 -0.003 0.000 0.196 126 E C 1.835 178.383 176.600 -0.086 0.000 1.000 126 E CA 1.555 57.904 56.400 -0.086 0.000 0.804 126 E CB -0.457 29.249 29.700 0.010 0.000 0.740 126 E HN 0.719 nan 8.360 nan 0.000 0.454 127 W N 0.651 121.934 121.300 -0.028 0.000 2.374 127 W HA 0.032 4.690 4.660 -0.003 0.000 0.288 127 W C 1.769 178.269 176.519 -0.031 0.000 1.218 127 W CA 0.968 58.291 57.345 -0.036 0.000 1.245 127 W CB -0.838 28.607 29.460 -0.026 0.000 1.126 127 W HN -0.020 nan 8.180 nan 0.000 0.545 128 A N 1.699 123.925 122.820 -0.991 0.000 2.121 128 A HA -0.142 4.176 4.320 -0.003 0.000 0.218 128 A C 2.076 179.451 177.584 -0.349 0.000 1.154 128 A CA 1.509 53.001 52.037 -0.907 0.000 0.679 128 A CB -0.612 17.725 19.000 -1.105 0.000 0.795 128 A HN 0.389 nan 8.150 nan 0.000 0.458 129 K N -0.006 120.230 120.400 -0.273 0.000 2.288 129 K HA -0.102 4.216 4.320 -0.003 0.000 0.201 129 K C 0.863 177.372 176.600 -0.151 0.000 1.048 129 K CA 1.372 57.545 56.287 -0.189 0.000 0.956 129 K CB 0.026 32.428 32.500 -0.164 0.000 0.746 129 K HN 0.849 nan 8.250 nan 0.000 0.461 130 E N -0.051 120.073 120.200 -0.128 0.000 2.887 130 E HA 0.299 4.647 4.350 -0.003 0.000 0.206 130 E C -0.480 176.010 176.600 -0.183 0.000 0.983 130 E CA -0.452 55.843 56.400 -0.174 0.000 1.141 130 E CB 0.843 30.427 29.700 -0.193 0.000 1.061 130 E HN 0.045 nan 8.360 nan 0.000 0.468 131 A N 0.647 123.430 122.820 -0.062 0.000 2.264 131 A HA 0.600 4.918 4.320 -0.003 0.000 0.304 131 A C -0.285 177.282 177.584 -0.028 0.000 1.100 131 A CA -0.557 51.499 52.037 0.031 0.000 0.839 131 A CB 1.414 20.561 19.000 0.245 0.000 1.121 131 A HN 0.134 nan 8.150 nan 0.000 0.496 132 V N 2.945 122.871 119.914 0.020 0.000 2.447 132 V HA 0.271 4.389 4.120 -0.003 0.000 0.292 132 V C -0.699 175.370 176.094 -0.042 0.000 1.021 132 V CA -0.458 61.833 62.300 -0.015 0.000 0.850 132 V CB 1.158 33.025 31.823 0.073 0.000 1.005 132 V HN 0.667 nan 8.190 nan 0.000 0.426 133 I N 4.328 124.785 120.570 -0.188 0.000 2.499 133 I HA 0.384 4.552 4.170 -0.003 0.000 0.296 133 I C -0.534 175.511 176.117 -0.119 0.000 0.992 133 I CA -0.579 60.571 61.300 -0.249 0.000 1.297 133 I CB 1.006 38.560 38.000 -0.744 0.000 1.410 133 I HN 0.605 nan 8.210 nan 0.000 0.507 134 Y N 4.549 124.730 120.300 -0.198 0.000 2.331 134 Y HA 0.300 4.848 4.550 -0.003 0.000 0.334 134 Y C 0.144 175.929 175.900 -0.191 0.000 0.960 134 Y CA -0.582 57.427 58.100 -0.153 0.000 1.130 134 Y CB 1.344 39.718 38.460 -0.143 0.000 1.164 134 Y HN 0.601 nan 8.280 nan 0.000 0.458 135 Q N 6.595 126.186 119.800 -0.350 0.000 2.274 135 Q HA 0.502 4.840 4.340 -0.003 0.000 0.256 135 Q C -1.446 174.347 176.000 -0.345 0.000 0.927 135 Q CA -0.335 55.324 55.803 -0.239 0.000 0.939 135 Q CB 0.701 29.496 28.738 0.096 0.000 1.201 135 Q HN 0.775 nan 8.270 nan 0.000 0.426 136 I N 4.513 124.803 120.570 -0.468 0.000 2.406 136 I HA 0.253 4.421 4.170 -0.003 0.000 0.290 136 I C -0.949 175.005 176.117 -0.271 0.000 0.999 136 I CA -0.800 60.232 61.300 -0.446 0.000 1.124 136 I CB 1.251 38.864 38.000 -0.646 0.000 1.289 136 I HN 0.657 nan 8.210 nan 0.000 0.441 137 F N 9.793 129.508 119.950 -0.391 0.000 2.309 137 F HA 0.403 4.928 4.527 -0.003 0.000 0.366 137 F C -1.388 174.286 175.800 -0.210 0.000 1.104 137 F CA -2.068 55.798 58.000 -0.225 0.000 1.179 137 F CB 0.798 39.765 39.000 -0.054 0.000 1.437 137 F HN 0.322 nan 8.300 nan 0.000 0.528 138 P HA -0.298 nan 4.420 nan 0.000 0.218 138 P C 1.252 178.497 177.300 -0.091 0.000 1.152 138 P CA 1.489 64.390 63.100 -0.332 0.000 0.857 138 P CB 0.286 31.424 31.700 -0.937 0.000 0.787 139 E N -0.622 119.627 120.200 0.081 0.000 2.338 139 E HA -0.126 4.223 4.350 -0.003 0.000 0.197 139 E C 1.457 178.324 176.600 0.446 0.000 1.007 139 E CA 0.713 57.384 56.400 0.452 0.000 0.849 139 E CB 0.089 30.073 29.700 0.473 0.000 0.774 139 E HN 0.197 nan 8.360 nan 0.000 0.506 140 R N -1.492 119.218 120.500 0.350 0.000 2.535 140 R HA 0.126 4.464 4.340 -0.003 0.000 0.323 140 R C 1.496 177.916 176.300 0.200 0.000 0.979 140 R CA -0.238 55.943 56.100 0.135 0.000 1.120 140 R CB -0.454 29.878 30.300 0.053 0.000 1.306 140 R HN 0.149 nan 8.270 nan 0.000 0.540 141 F N 1.125 121.170 119.950 0.157 0.000 2.123 141 F HA 0.311 4.836 4.527 -0.003 0.000 0.289 141 F C 0.289 176.488 175.800 0.665 0.000 1.099 141 F CA 0.588 58.720 58.000 0.219 0.000 1.234 141 F CB 0.488 39.545 39.000 0.095 0.000 1.034 141 F HN -0.061 nan 8.300 nan 0.000 0.479 142 A N 0.565 123.648 122.820 0.439 0.000 2.512 142 A HA 0.297 4.615 4.320 -0.003 0.000 0.294 142 A C -1.596 175.920 177.584 -0.113 0.000 1.054 142 A CA -0.669 51.360 52.037 -0.014 0.000 0.756 142 A CB 0.286 19.156 19.000 -0.217 0.000 1.293 142 A HN 0.179 nan 8.150 nan 0.000 0.395 143 N N 2.074 120.494 118.700 -0.466 0.000 2.555 143 N HA 0.288 5.027 4.740 -0.003 0.000 0.244 143 N C 1.115 176.502 175.510 -0.204 0.000 1.114 143 N CA 0.587 53.514 53.050 -0.204 0.000 0.963 143 N CB 0.952 39.311 38.487 -0.214 0.000 1.276 143 N HN 0.770 nan 8.380 nan 0.000 0.510 144 G N 1.169 109.903 108.800 -0.110 0.000 2.777 144 G HA2 -0.078 3.880 3.960 -0.003 0.000 0.211 144 G HA3 -0.078 3.880 3.960 -0.003 0.000 0.211 144 G C 0.016 174.878 174.900 -0.064 0.000 1.149 144 G CA 0.045 45.076 45.100 -0.115 0.000 0.785 144 G HN 0.542 nan 8.290 nan 0.000 0.536 145 D N -0.803 119.587 120.400 -0.018 0.000 2.336 145 D HA 0.245 4.884 4.640 -0.003 0.000 0.248 145 D C -1.785 174.531 176.300 0.027 0.000 1.326 145 D CA -1.820 52.182 54.000 0.004 0.000 0.973 145 D CB 2.106 42.921 40.800 0.025 0.000 1.255 145 D HN -0.052 nan 8.370 nan 0.000 0.558 146 P HA -0.108 nan 4.420 nan 0.000 0.230 146 P C 1.077 178.396 177.300 0.032 0.000 1.158 146 P CA 0.541 63.660 63.100 0.032 0.000 0.769 146 P CB 0.211 31.921 31.700 0.017 0.000 0.807 147 S N 0.729 116.443 115.700 0.023 0.000 2.481 147 S HA -0.098 4.371 4.470 -0.003 0.000 0.231 147 S C 1.415 176.028 174.600 0.022 0.000 0.996 147 S CA 0.869 59.080 58.200 0.018 0.000 0.942 147 S CB -1.240 61.968 63.200 0.013 0.000 0.768 147 S HN 0.224 nan 8.310 nan 0.000 0.520 148 N N 0.293 119.016 118.700 0.038 0.000 2.203 148 N HA 0.171 4.909 4.740 -0.003 0.000 0.207 148 N C -1.158 174.377 175.510 0.041 0.000 1.130 148 N CA -0.366 52.708 53.050 0.039 0.000 0.861 148 N CB -0.490 38.035 38.487 0.064 0.000 1.005 148 N HN 0.099 nan 8.380 nan 0.000 0.507 149 D N 2.199 122.630 120.400 0.051 0.000 2.488 149 D HA 0.145 4.783 4.640 -0.003 0.000 0.238 149 D C -2.101 174.189 176.300 -0.017 0.000 1.138 149 D CA -0.655 53.382 54.000 0.062 0.000 0.873 149 D CB 0.491 41.338 40.800 0.080 0.000 1.183 149 D HN 0.228 nan 8.370 nan 0.000 0.458 150 P HA 0.170 nan 4.420 nan 0.000 0.272 150 P C -2.469 174.705 177.300 -0.210 0.000 1.223 150 P CA -1.088 61.856 63.100 -0.260 0.000 0.784 150 P CB 0.018 31.333 31.700 -0.641 0.000 0.923 151 P HA 0.054 nan 4.420 nan 0.000 0.271 151 P C 0.581 177.800 177.300 -0.135 0.000 1.216 151 P CA 0.559 63.580 63.100 -0.132 0.000 0.776 151 P CB 0.379 32.011 31.700 -0.113 0.000 0.881 152 G N 1.540 110.300 108.800 -0.067 0.000 2.141 152 G HA2 -0.192 3.767 3.960 -0.003 0.000 0.231 152 G HA3 -0.192 3.767 3.960 -0.003 0.000 0.231 152 G C 0.234 175.120 174.900 -0.023 0.000 0.984 152 G CA -0.080 44.998 45.100 -0.038 0.000 0.660 152 G HN 0.636 nan 8.290 nan 0.000 0.525 153 T N 1.411 115.956 114.554 -0.015 0.000 2.908 153 T HA 0.369 4.717 4.350 -0.003 0.000 0.301 153 T C 0.661 175.337 174.700 -0.039 0.000 1.019 153 T CA 0.652 62.756 62.100 0.006 0.000 1.152 153 T CB 1.128 70.041 68.868 0.075 0.000 0.966 153 T HN 0.482 nan 8.240 nan 0.000 0.540 154 E N 1.489 121.571 120.200 -0.197 0.000 2.312 154 E HA 0.234 4.582 4.350 -0.003 0.000 0.259 154 E C 0.054 176.695 176.600 0.067 0.000 1.122 154 E CA -0.824 55.476 56.400 -0.167 0.000 0.922 154 E CB 0.580 30.033 29.700 -0.413 0.000 1.109 154 E HN 0.446 nan 8.360 nan 0.000 0.442 155 Q N 1.277 121.168 119.800 0.151 0.000 2.300 155 Q HA -0.067 4.271 4.340 -0.003 0.000 0.280 155 Q C -1.362 174.865 176.000 0.379 0.000 1.033 155 Q CA 0.189 56.138 55.803 0.243 0.000 0.903 155 Q CB 0.421 29.259 28.738 0.166 0.000 1.195 155 Q HN 0.451 nan 8.270 nan 0.000 0.386 156 W N 5.763 127.195 121.300 0.220 0.000 2.290 156 W HA 0.555 5.213 4.660 -0.002 0.000 0.408 156 W C -1.308 175.267 176.519 0.093 0.000 0.966 156 W CA -0.118 57.337 57.345 0.183 0.000 1.579 156 W CB -0.361 29.194 29.460 0.159 0.000 1.662 156 W HN 0.715 nan 8.180 nan 0.000 0.341 157 A N 4.592 127.481 122.820 0.115 0.000 2.556 157 A HA 0.441 4.759 4.320 -0.003 0.000 0.294 157 A C 0.563 178.128 177.584 -0.032 0.000 1.091 157 A CA -0.682 51.410 52.037 0.092 0.000 0.704 157 A CB 1.423 20.480 19.000 0.095 0.000 1.300 157 A HN 0.381 nan 8.150 nan 0.000 0.406 158 K N -0.292 120.101 120.400 -0.013 0.000 2.442 158 K HA 0.005 4.324 4.320 -0.003 0.000 0.198 158 K C -0.288 176.278 176.600 -0.058 0.000 1.042 158 K CA 2.222 58.474 56.287 -0.059 0.000 0.958 158 K CB -0.178 32.299 32.500 -0.038 0.000 0.766 158 K HN 0.536 nan 8.250 nan 0.000 0.474 159 D N 0.752 121.135 120.400 -0.028 0.000 2.349 159 D HA 0.170 4.808 4.640 -0.003 0.000 0.214 159 D C -0.263 176.029 176.300 -0.013 0.000 1.063 159 D CA 0.087 54.076 54.000 -0.017 0.000 0.847 159 D CB 0.486 41.288 40.800 0.004 0.000 0.933 159 D HN 0.408 nan 8.370 nan 0.000 0.513 160 A N 1.187 123.986 122.820 -0.036 0.000 2.462 160 A HA 0.381 4.699 4.320 -0.003 0.000 0.243 160 A C 0.336 177.903 177.584 -0.028 0.000 1.076 160 A CA -0.029 52.003 52.037 -0.009 0.000 0.773 160 A CB 0.379 19.328 19.000 -0.085 0.000 1.010 160 A HN -0.012 nan 8.150 nan 0.000 0.493 161 R N 2.499 123.022 120.500 0.039 0.000 2.513 161 R HA 0.316 4.654 4.340 -0.003 0.000 0.283 161 R C -2.980 173.365 176.300 0.075 0.000 1.535 161 R CA -1.655 54.460 56.100 0.025 0.000 1.315 161 R CB 0.608 30.921 30.300 0.021 0.000 1.163 161 R HN 0.510 nan 8.270 nan 0.000 0.573 162 P HA 0.098 nan 4.420 nan 0.000 0.267 162 P C -0.057 177.283 177.300 0.066 0.000 1.200 162 P CA 0.070 63.246 63.100 0.126 0.000 0.772 162 P CB 0.851 32.591 31.700 0.068 0.000 0.855 163 R N 1.077 121.607 120.500 0.050 0.000 2.856 163 R HA 0.224 4.562 4.340 -0.003 0.000 0.258 163 R C 1.728 178.076 176.300 0.080 0.000 1.066 163 R CA -0.725 55.432 56.100 0.095 0.000 1.045 163 R CB 0.499 30.865 30.300 0.111 0.000 1.178 163 R HN 0.671 nan 8.270 nan 0.000 0.499 164 H N 0.601 119.697 119.070 0.043 0.000 2.518 164 H HA -0.101 4.453 4.556 -0.003 0.000 0.292 164 H C -0.136 175.282 175.328 0.149 0.000 1.068 164 H CA 1.626 57.752 56.048 0.130 0.000 1.275 164 H CB -0.080 29.778 29.762 0.160 0.000 1.375 164 H HN 0.633 nan 8.280 nan 0.000 0.563 165 D N -0.389 119.781 120.400 -0.383 0.000 2.571 165 D HA 0.166 4.805 4.640 -0.003 0.000 0.239 165 D C -0.184 175.981 176.300 -0.226 0.000 1.267 165 D CA -0.539 53.269 54.000 -0.319 0.000 0.823 165 D CB 0.022 40.589 40.800 -0.388 0.000 1.056 165 D HN 0.062 nan 8.370 nan 0.000 0.494 166 S N -0.111 115.408 115.700 -0.301 0.000 2.614 166 S HA 0.574 5.043 4.470 -0.003 0.000 0.265 166 S C -0.494 173.836 174.600 -0.450 0.000 1.303 166 S CA -0.251 57.795 58.200 -0.256 0.000 1.000 166 S CB 0.503 63.590 63.200 -0.189 0.000 0.935 166 S HN 0.187 nan 8.310 nan 0.000 0.551 167 F N -0.086 119.705 119.950 -0.265 0.000 2.578 167 F HA 0.424 4.950 4.527 -0.003 0.000 0.311 167 F C -0.256 175.347 175.800 -0.327 0.000 1.094 167 F CA -0.617 57.320 58.000 -0.105 0.000 0.923 167 F CB 1.499 40.482 39.000 -0.029 0.000 1.230 167 F HN 0.572 nan 8.300 nan 0.000 0.450 168 Y N -0.003 120.472 120.300 0.292 0.000 2.499 168 Y HA 0.354 4.902 4.550 -0.003 0.000 0.253 168 Y C 1.462 177.645 175.900 0.472 0.000 1.105 168 Y CA 0.144 58.406 58.100 0.271 0.000 1.240 168 Y CB 1.305 39.755 38.460 -0.017 0.000 1.289 168 Y HN 0.798 nan 8.280 nan 0.000 0.534 169 G N 0.374 109.509 108.800 0.557 0.000 2.157 169 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.239 169 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.239 169 G C 0.708 175.911 174.900 0.505 0.000 0.982 169 G CA -0.201 45.180 45.100 0.469 0.000 0.650 169 G HN 0.675 nan 8.290 nan 0.000 0.527 170 G N 0.389 109.580 108.800 0.653 0.000 2.414 170 G HA2 0.528 4.486 3.960 -0.003 0.000 0.236 170 G HA3 0.528 4.486 3.960 -0.003 0.000 0.236 170 G C 0.079 175.225 174.900 0.409 0.000 1.293 170 G CA 1.076 46.502 45.100 0.544 0.000 0.869 170 G HN 1.143 nan 8.290 nan 0.000 0.556 171 D N -0.089 120.452 120.400 0.234 0.000 2.677 171 D HA 0.182 4.820 4.640 -0.003 0.000 0.298 171 D C 1.101 177.418 176.300 0.028 0.000 1.250 171 D CA -0.905 53.196 54.000 0.169 0.000 0.888 171 D CB 0.329 41.269 40.800 0.233 0.000 1.397 171 D HN 0.177 nan 8.370 nan 0.000 0.461 172 L N -0.992 120.235 121.223 0.007 0.000 2.156 172 L HA 0.002 4.340 4.340 -0.003 0.000 0.208 172 L C 2.136 179.023 176.870 0.028 0.000 1.095 172 L CA 0.884 55.714 54.840 -0.016 0.000 0.770 172 L CB -0.457 41.603 42.059 0.001 0.000 0.914 172 L HN 0.374 nan 8.230 nan 0.000 0.439 173 K N 1.109 121.531 120.400 0.038 0.000 2.097 173 K HA -0.087 4.231 4.320 -0.003 0.000 0.206 173 K C 1.936 178.532 176.600 -0.008 0.000 1.049 173 K CA 1.473 57.768 56.287 0.013 0.000 0.933 173 K CB -0.685 31.820 32.500 0.009 0.000 0.717 173 K HN 0.183 nan 8.250 nan 0.000 0.442 174 G N -0.078 108.725 108.800 0.005 0.000 2.418 174 G HA2 -0.183 3.775 3.960 -0.003 0.000 0.217 174 G HA3 -0.183 3.775 3.960 -0.003 0.000 0.217 174 G C 1.513 176.443 174.900 0.050 0.000 1.158 174 G CA 1.022 46.100 45.100 -0.036 0.000 0.771 174 G HN 0.192 nan 8.290 nan 0.000 0.545 175 V N 1.292 121.322 119.914 0.193 0.000 2.343 175 V HA -0.170 3.948 4.120 -0.003 0.000 0.247 175 V C 2.787 178.986 176.094 0.175 0.000 1.051 175 V CA 1.525 64.025 62.300 0.333 0.000 1.036 175 V CB -0.435 31.564 31.823 0.293 0.000 0.654 175 V HN 0.394 nan 8.190 nan 0.000 0.451 176 I N 0.326 120.939 120.570 0.071 0.000 2.163 176 I HA -0.260 3.908 4.170 -0.003 0.000 0.243 176 I C 2.270 178.380 176.117 -0.013 0.000 1.085 176 I CA 1.784 63.094 61.300 0.017 0.000 1.347 176 I CB -0.608 37.384 38.000 -0.013 0.000 1.044 176 I HN 0.330 nan 8.210 nan 0.000 0.408 177 D N 0.587 120.953 120.400 -0.057 0.000 2.263 177 D HA -0.129 4.509 4.640 -0.003 0.000 0.208 177 D C 1.934 178.135 176.300 -0.164 0.000 0.971 177 D CA 0.923 54.847 54.000 -0.127 0.000 0.867 177 D CB -0.186 40.496 40.800 -0.196 0.000 0.929 177 D HN 0.244 nan 8.370 nan 0.000 0.492 178 R N 0.130 120.562 120.500 -0.115 0.000 2.362 178 R HA 0.224 4.562 4.340 -0.003 0.000 0.227 178 R C 2.126 178.505 176.300 0.130 0.000 0.905 178 R CA -0.190 55.849 56.100 -0.101 0.000 1.067 178 R CB -0.136 30.046 30.300 -0.197 0.000 1.078 178 R HN 0.275 nan 8.270 nan 0.000 0.516 179 L N 0.955 122.233 121.223 0.092 0.000 2.079 179 L HA -0.150 4.188 4.340 -0.003 0.000 0.210 179 L C -0.666 176.250 176.870 0.076 0.000 1.081 179 L CA 1.712 56.603 54.840 0.086 0.000 0.752 179 L CB -1.387 40.693 42.059 0.035 0.000 0.896 179 L HN 0.051 nan 8.230 nan 0.000 0.433 180 P HA -0.242 nan 4.420 nan 0.000 0.216 180 P C 1.367 178.735 177.300 0.114 0.000 1.150 180 P CA 1.393 64.526 63.100 0.055 0.000 0.837 180 P CB -0.069 31.647 31.700 0.027 0.000 0.786 181 Y N 0.328 120.652 120.300 0.039 0.000 2.181 181 Y HA -0.169 4.379 4.550 -0.003 0.000 0.288 181 Y C 1.971 177.962 175.900 0.152 0.000 1.146 181 Y CA 1.506 59.682 58.100 0.126 0.000 1.164 181 Y CB -1.007 37.557 38.460 0.174 0.000 0.982 181 Y HN -0.208 nan 8.280 nan 0.000 0.515 182 L N 0.108 121.413 121.223 0.136 0.000 2.093 182 L HA -0.166 4.172 4.340 -0.003 0.000 0.208 182 L C 2.563 179.361 176.870 -0.121 0.000 1.085 182 L CA 1.795 56.579 54.840 -0.093 0.000 0.755 182 L CB -0.611 41.407 42.059 -0.069 0.000 0.904 182 L HN 0.289 nan 8.230 nan 0.000 0.435 183 E N 0.455 120.626 120.200 -0.048 0.000 2.072 183 E HA -0.280 4.068 4.350 -0.003 0.000 0.191 183 E C 2.100 178.655 176.600 -0.075 0.000 0.985 183 E CA 1.220 57.588 56.400 -0.054 0.000 0.801 183 E CB 0.092 29.778 29.700 -0.023 0.000 0.750 183 E HN 0.467 nan 8.360 nan 0.000 0.452 184 E N 0.301 120.468 120.200 -0.055 0.000 2.077 184 E HA -0.215 4.133 4.350 -0.003 0.000 0.193 184 E C 2.232 178.737 176.600 -0.157 0.000 0.989 184 E CA 0.902 57.271 56.400 -0.051 0.000 0.800 184 E CB -0.102 29.630 29.700 0.053 0.000 0.746 184 E HN 0.251 nan 8.360 nan 0.000 0.452 185 L N 0.248 121.328 121.223 -0.239 0.000 2.127 185 L HA -0.042 4.297 4.340 -0.003 0.000 0.211 185 L C 1.537 178.232 176.870 -0.291 0.000 1.089 185 L CA 2.404 56.998 54.840 -0.410 0.000 0.757 185 L CB -0.382 41.440 42.059 -0.395 0.000 0.899 185 L HN 0.398 nan 8.230 nan 0.000 0.434 186 G N -1.338 107.337 108.800 -0.207 0.000 2.134 186 G HA2 -0.182 3.776 3.960 -0.003 0.000 0.209 186 G HA3 -0.182 3.776 3.960 -0.003 0.000 0.209 186 G C 0.289 175.127 174.900 -0.104 0.000 0.993 186 G CA 0.271 45.263 45.100 -0.181 0.000 0.669 186 G HN 0.903 nan 8.290 nan 0.000 0.519 187 V N -0.830 119.031 119.914 -0.087 0.000 2.811 187 V HA 0.766 4.884 4.120 -0.003 0.000 0.302 187 V C 1.221 177.317 176.094 0.004 0.000 1.063 187 V CA 1.143 63.431 62.300 -0.021 0.000 1.088 187 V CB 1.324 33.124 31.823 -0.039 0.000 0.982 187 V HN 0.986 nan 8.190 nan 0.000 0.485 188 T N -0.262 114.321 114.554 0.048 0.000 3.044 188 T HA 0.722 5.070 4.350 -0.003 0.000 0.260 188 T C 0.326 175.036 174.700 0.016 0.000 1.019 188 T CA 0.378 62.505 62.100 0.046 0.000 0.921 188 T CB 0.144 69.074 68.868 0.104 0.000 1.053 188 T HN 1.790 nan 8.240 nan 0.000 0.533 189 A N 0.867 123.701 122.820 0.023 0.000 2.589 189 A HA 0.693 5.012 4.320 -0.003 0.000 0.296 189 A C -2.107 175.468 177.584 -0.015 0.000 1.062 189 A CA -0.791 51.260 52.037 0.022 0.000 0.686 189 A CB 1.171 20.262 19.000 0.152 0.000 1.282 189 A HN 0.187 nan 8.150 nan 0.000 0.404 190 L N 2.132 123.323 121.223 -0.055 0.000 2.325 190 L HA 0.488 4.827 4.340 -0.003 0.000 0.281 190 L C -0.850 175.878 176.870 -0.236 0.000 1.004 190 L CA -0.343 54.347 54.840 -0.251 0.000 0.823 190 L CB 1.232 43.011 42.059 -0.466 0.000 1.236 190 L HN 0.686 nan 8.230 nan 0.000 0.415 191 Y N 4.794 124.898 120.300 -0.327 0.000 2.353 191 Y HA 0.609 5.157 4.550 -0.003 0.000 0.340 191 Y C -1.342 174.401 175.900 -0.262 0.000 0.972 191 Y CA -1.579 56.455 58.100 -0.111 0.000 1.157 191 Y CB 0.510 39.020 38.460 0.084 0.000 1.157 191 Y HN 0.368 nan 8.280 nan 0.000 0.495 192 F N 3.801 123.632 119.950 -0.198 0.000 2.422 192 F HA 0.443 4.968 4.527 -0.003 0.000 0.333 192 F C 0.931 176.420 175.800 -0.519 0.000 1.095 192 F CA -0.617 57.128 58.000 -0.426 0.000 1.038 192 F CB 1.465 40.312 39.000 -0.254 0.000 1.156 192 F HN 0.556 nan 8.300 nan 0.000 0.483 193 T N 0.614 114.931 114.554 -0.395 0.000 2.754 193 T HA 0.292 4.640 4.350 -0.003 0.000 0.286 193 T C -2.606 171.883 174.700 -0.351 0.000 0.997 193 T CA -1.836 60.070 62.100 -0.324 0.000 0.982 193 T CB 0.312 68.968 68.868 -0.353 0.000 1.027 193 T HN 0.266 nan 8.240 nan 0.000 0.529 194 P HA 0.015 nan 4.420 nan 0.000 0.263 194 P C 0.488 177.552 177.300 -0.393 0.000 1.168 194 P CA 0.334 63.098 63.100 -0.560 0.000 0.759 194 P CB 0.100 31.406 31.700 -0.656 0.000 0.782 195 I N -1.751 118.509 120.570 -0.518 0.000 4.225 195 I HA 0.299 4.467 4.170 -0.003 0.000 0.327 195 I C 0.236 176.372 176.117 0.032 0.000 1.422 195 I CA -0.485 60.733 61.300 -0.136 0.000 1.150 195 I CB -0.100 37.698 38.000 -0.338 0.000 1.192 195 I HN -0.031 nan 8.210 nan 0.000 0.440 196 F N 2.613 122.481 119.950 -0.136 0.000 2.370 196 F HA 0.646 5.171 4.527 -0.003 0.000 0.324 196 F C 1.417 177.165 175.800 -0.088 0.000 1.116 196 F CA -1.249 56.687 58.000 -0.107 0.000 1.123 196 F CB 0.912 39.849 39.000 -0.107 0.000 1.238 196 F HN -0.004 nan 8.300 nan 0.000 0.536 197 A N 2.375 125.295 122.820 0.168 0.000 2.583 197 A HA 0.247 4.565 4.320 -0.003 0.000 0.249 197 A C 0.172 177.764 177.584 0.012 0.000 1.035 197 A CA 0.658 52.727 52.037 0.054 0.000 0.777 197 A CB -0.358 18.690 19.000 0.079 0.000 0.942 197 A HN 0.637 nan 8.150 nan 0.000 0.516 198 S N 3.361 119.030 115.700 -0.051 0.000 2.542 198 S HA 0.650 5.118 4.470 -0.003 0.000 0.276 198 S C -2.305 172.259 174.600 -0.060 0.000 1.148 198 S CA -0.454 57.715 58.200 -0.051 0.000 0.886 198 S CB 1.746 64.892 63.200 -0.091 0.000 1.109 198 S HN 0.424 nan 8.310 nan 0.000 0.458 199 P HA 0.052 nan 4.420 nan 0.000 0.229 199 P C 0.638 177.989 177.300 0.085 0.000 1.160 199 P CA 0.420 63.531 63.100 0.018 0.000 0.777 199 P CB -0.132 31.590 31.700 0.038 0.000 0.814 200 S N 0.166 115.842 115.700 -0.039 0.000 2.686 200 S HA 0.108 4.576 4.470 -0.003 0.000 0.270 200 S C 1.558 176.051 174.600 -0.179 0.000 1.194 200 S CA -0.478 57.632 58.200 -0.149 0.000 0.990 200 S CB -0.208 62.615 63.200 -0.628 0.000 1.029 200 S HN 0.292 nan 8.310 nan 0.000 0.560 201 H N 0.234 119.074 119.070 -0.384 0.000 2.512 201 H HA 0.009 4.563 4.556 -0.003 0.000 0.279 201 H C 1.497 176.786 175.328 -0.064 0.000 0.999 201 H CA 1.641 57.482 56.048 -0.345 0.000 1.283 201 H CB -0.582 28.852 29.762 -0.547 0.000 1.421 201 H HN 0.993 nan 8.280 nan 0.000 0.554 202 H N 0.024 118.786 119.070 -0.513 0.000 2.520 202 H HA 0.259 4.814 4.556 -0.003 0.000 0.279 202 H C 0.635 175.840 175.328 -0.204 0.000 0.990 202 H CA 0.224 56.154 56.048 -0.196 0.000 1.288 202 H CB 0.248 30.047 29.762 0.061 0.000 1.446 202 H HN 0.023 nan 8.280 nan 0.000 0.538 203 K N -1.091 119.109 120.400 -0.334 0.000 3.281 203 K HA -0.232 4.086 4.320 -0.003 0.000 0.295 203 K C -0.340 176.207 176.600 -0.089 0.000 1.233 203 K CA 0.921 57.085 56.287 -0.205 0.000 0.866 203 K CB -2.753 29.615 32.500 -0.221 0.000 1.265 203 K HN 0.527 nan 8.250 nan 0.000 0.482 204 Y N 0.916 121.424 120.300 0.348 0.000 2.546 204 Y HA -0.009 4.539 4.550 -0.003 0.000 0.287 204 Y C 0.667 176.699 175.900 0.219 0.000 1.158 204 Y CA 0.671 58.916 58.100 0.241 0.000 1.307 204 Y CB 0.308 38.876 38.460 0.180 0.000 1.036 204 Y HN 0.185 nan 8.280 nan 0.000 0.532 205 D N -0.286 120.290 120.400 0.294 0.000 2.505 205 D HA 0.079 4.717 4.640 -0.003 0.000 0.242 205 D C -0.392 175.963 176.300 0.092 0.000 1.136 205 D CA -0.328 53.799 54.000 0.211 0.000 0.954 205 D CB 0.023 40.942 40.800 0.199 0.000 1.002 205 D HN -0.098 nan 8.370 nan 0.000 0.512 206 T N 0.853 115.420 114.554 0.022 0.000 2.829 206 T HA 0.322 4.671 4.350 -0.003 0.000 0.293 206 T C 1.344 176.049 174.700 0.007 0.000 0.970 206 T CA -0.103 61.914 62.100 -0.137 0.000 1.168 206 T CB 1.499 69.970 68.868 -0.662 0.000 0.911 206 T HN 0.492 nan 8.240 nan 0.000 0.535 207 A N 2.807 125.665 122.820 0.063 0.000 1.924 207 A HA 0.225 4.543 4.320 -0.003 0.000 0.211 207 A C 0.894 178.648 177.584 0.285 0.000 1.198 207 A CA 0.307 52.453 52.037 0.182 0.000 0.657 207 A CB 0.280 19.352 19.000 0.119 0.000 0.852 207 A HN 0.695 nan 8.150 nan 0.000 0.454 208 D N -2.209 118.315 120.400 0.205 0.000 2.478 208 D HA 0.375 5.013 4.640 -0.003 0.000 0.240 208 D C -0.491 175.963 176.300 0.256 0.000 1.364 208 D CA -0.558 53.625 54.000 0.306 0.000 0.987 208 D CB 0.445 41.374 40.800 0.214 0.000 1.328 208 D HN 0.144 nan 8.370 nan 0.000 0.584 209 Y N 1.988 122.539 120.300 0.418 0.000 2.497 209 Y HA 0.080 4.628 4.550 -0.003 0.000 0.292 209 Y C 1.809 177.729 175.900 0.034 0.000 1.137 209 Y CA 0.764 59.046 58.100 0.304 0.000 1.285 209 Y CB 0.209 38.958 38.460 0.481 0.000 0.991 209 Y HN 0.406 nan 8.280 nan 0.000 0.556 210 L N -0.653 120.696 121.223 0.211 0.000 2.653 210 L HA 0.403 4.741 4.340 -0.003 0.000 0.231 210 L C 0.402 177.275 176.870 0.004 0.000 1.153 210 L CA -0.309 54.494 54.840 -0.062 0.000 0.933 210 L CB -0.088 41.795 42.059 -0.292 0.000 1.175 210 L HN 0.019 nan 8.230 nan 0.000 0.473 211 A N 0.224 123.142 122.820 0.165 0.000 2.422 211 A HA 0.609 4.927 4.320 -0.003 0.000 0.302 211 A C -0.422 177.328 177.584 0.278 0.000 1.041 211 A CA -0.546 51.618 52.037 0.211 0.000 0.708 211 A CB 1.562 20.636 19.000 0.123 0.000 1.257 211 A HN -0.083 nan 8.150 nan 0.000 0.414 212 I N 1.964 122.728 120.570 0.322 0.000 2.692 212 I HA 0.026 4.194 4.170 -0.003 0.000 0.284 212 I C 0.708 176.940 176.117 0.191 0.000 1.159 212 I CA 0.200 61.662 61.300 0.270 0.000 1.423 212 I CB 0.553 38.704 38.000 0.253 0.000 1.380 212 I HN 0.717 nan 8.210 nan 0.000 0.580 213 D N 7.874 128.369 120.400 0.158 0.000 2.417 213 D HA 0.036 4.675 4.640 -0.003 0.000 0.250 213 D C -1.676 174.625 176.300 0.001 0.000 1.166 213 D CA -1.269 52.728 54.000 -0.005 0.000 0.881 213 D CB 1.745 42.373 40.800 -0.287 0.000 1.164 213 D HN 0.209 nan 8.370 nan 0.000 0.467 214 P HA -0.220 nan 4.420 nan 0.000 0.217 214 P C 1.225 178.527 177.300 0.005 0.000 1.151 214 P CA 1.624 64.730 63.100 0.011 0.000 0.849 214 P CB 0.035 31.729 31.700 -0.010 0.000 0.787 215 Q N -2.251 117.500 119.800 -0.081 0.000 2.369 215 Q HA -0.093 4.245 4.340 -0.003 0.000 0.206 215 Q C 1.256 177.335 176.000 0.132 0.000 0.963 215 Q CA 1.194 56.969 55.803 -0.047 0.000 0.894 215 Q CB -0.582 28.064 28.738 -0.154 0.000 0.965 215 Q HN 0.131 nan 8.270 nan 0.000 0.475 216 F N 0.038 120.020 119.950 0.054 0.000 2.505 216 F HA 0.470 4.995 4.527 -0.003 0.000 0.289 216 F C 1.425 177.257 175.800 0.053 0.000 1.101 216 F CA 0.533 58.561 58.000 0.047 0.000 1.446 216 F CB 0.547 39.551 39.000 0.007 0.000 1.123 216 F HN 0.300 nan 8.300 nan 0.000 0.564 217 G N -0.471 108.480 108.800 0.251 0.000 2.403 217 G HA2 0.301 4.259 3.960 -0.003 0.000 0.223 217 G HA3 0.301 4.259 3.960 -0.003 0.000 0.223 217 G C -1.984 173.014 174.900 0.163 0.000 1.287 217 G CA -0.158 45.048 45.100 0.177 0.000 0.982 217 G HN 0.140 nan 8.290 nan 0.000 0.471 218 D N -1.399 119.102 120.400 0.169 0.000 2.652 218 D HA 0.595 5.234 4.640 -0.003 0.000 0.285 218 D C 1.113 177.550 176.300 0.229 0.000 1.173 218 D CA -0.592 53.511 54.000 0.172 0.000 0.981 218 D CB 0.927 41.803 40.800 0.125 0.000 1.440 218 D HN 0.718 nan 8.370 nan 0.000 0.485 219 L N 0.095 121.459 121.223 0.234 0.000 2.012 219 L HA 0.069 4.407 4.340 -0.003 0.000 0.210 219 L C -1.086 175.937 176.870 0.255 0.000 1.073 219 L CA 2.018 57.036 54.840 0.295 0.000 0.748 219 L CB -1.587 40.613 42.059 0.235 0.000 0.891 219 L HN 0.361 nan 8.230 nan 0.000 0.431 220 P HA -0.127 nan 4.420 nan 0.000 0.215 220 P C 1.570 178.932 177.300 0.104 0.000 1.153 220 P CA 1.949 65.115 63.100 0.110 0.000 0.853 220 P CB -0.145 31.602 31.700 0.077 0.000 0.788 221 T N -0.979 113.651 114.554 0.126 0.000 2.746 221 T HA -0.163 4.185 4.350 -0.003 0.000 0.267 221 T C 1.458 176.227 174.700 0.115 0.000 1.039 221 T CA 1.022 63.183 62.100 0.101 0.000 1.142 221 T CB -1.037 67.897 68.868 0.111 0.000 0.866 221 T HN 0.025 nan 8.240 nan 0.000 0.444 222 F N 2.594 122.573 119.950 0.049 0.000 2.126 222 F HA -0.100 4.425 4.527 -0.003 0.000 0.299 222 F C 2.338 178.145 175.800 0.012 0.000 1.096 222 F CA 1.159 59.178 58.000 0.031 0.000 1.255 222 F CB -0.145 38.940 39.000 0.142 0.000 0.997 222 F HN -0.139 nan 8.300 nan 0.000 0.479 223 R N 0.397 120.892 120.500 -0.009 0.000 2.096 223 R HA -0.157 4.181 4.340 -0.003 0.000 0.235 223 R C 2.313 178.506 176.300 -0.177 0.000 1.127 223 R CA 1.432 57.453 56.100 -0.132 0.000 0.968 223 R CB -0.943 29.359 30.300 0.004 0.000 0.861 223 R HN 0.272 nan 8.270 nan 0.000 0.440 224 R N 1.108 121.546 120.500 -0.104 0.000 2.081 224 R HA -0.105 4.234 4.340 -0.003 0.000 0.235 224 R C 2.132 178.341 176.300 -0.151 0.000 1.131 224 R CA 1.189 57.232 56.100 -0.095 0.000 0.960 224 R CB -0.858 29.415 30.300 -0.044 0.000 0.856 224 R HN 0.164 nan 8.270 nan 0.000 0.436 225 L N 0.015 121.121 121.223 -0.195 0.000 2.017 225 L HA -0.091 4.247 4.340 -0.003 0.000 0.208 225 L C 2.012 178.683 176.870 -0.332 0.000 1.073 225 L CA 1.668 56.375 54.840 -0.223 0.000 0.745 225 L CB -0.665 41.257 42.059 -0.229 0.000 0.894 225 L HN 0.115 nan 8.230 nan 0.000 0.432 226 V N 0.148 119.745 119.914 -0.530 0.000 2.255 226 V HA -0.315 3.803 4.120 -0.003 0.000 0.247 226 V C 2.366 178.116 176.094 -0.573 0.000 1.051 226 V CA 2.078 63.988 62.300 -0.649 0.000 1.018 226 V CB -0.877 30.540 31.823 -0.677 0.000 0.641 226 V HN 0.453 nan 8.190 nan 0.000 0.445 227 D N -0.389 119.817 120.400 -0.322 0.000 2.097 227 D HA -0.141 4.497 4.640 -0.003 0.000 0.195 227 D C 2.300 178.532 176.300 -0.114 0.000 0.989 227 D CA 1.100 55.004 54.000 -0.161 0.000 0.827 227 D CB -0.267 40.475 40.800 -0.096 0.000 0.966 227 D HN 0.389 nan 8.370 nan 0.000 0.456 228 E N 0.553 120.681 120.200 -0.121 0.000 2.110 228 E HA -0.086 4.263 4.350 -0.003 0.000 0.193 228 E C 2.045 178.605 176.600 -0.065 0.000 0.988 228 E CA 0.767 57.122 56.400 -0.074 0.000 0.804 228 E CB -0.245 29.416 29.700 -0.065 0.000 0.745 228 E HN 0.227 nan 8.360 nan 0.000 0.458 229 A N 0.725 123.478 122.820 -0.112 0.000 1.873 229 A HA -0.184 4.134 4.320 -0.003 0.000 0.215 229 A C 1.930 179.510 177.584 -0.007 0.000 1.186 229 A CA 1.557 53.548 52.037 -0.077 0.000 0.616 229 A CB -0.944 17.984 19.000 -0.121 0.000 0.823 229 A HN 0.349 nan 8.150 nan 0.000 0.442 230 H N -0.089 118.928 119.070 -0.089 0.000 2.352 230 H HA -0.150 4.404 4.556 -0.003 0.000 0.299 230 H C 2.315 177.595 175.328 -0.080 0.000 1.097 230 H CA 1.370 57.358 56.048 -0.099 0.000 1.311 230 H CB -0.031 29.667 29.762 -0.105 0.000 1.377 230 H HN 0.604 nan 8.280 nan 0.000 0.504 231 R N 0.692 121.231 120.500 0.064 0.000 2.285 231 R HA 0.006 4.345 4.340 -0.003 0.000 0.213 231 R C 1.110 177.410 176.300 0.000 0.000 1.068 231 R CA 0.716 56.825 56.100 0.016 0.000 1.004 231 R CB 0.071 30.372 30.300 0.001 0.000 0.873 231 R HN 0.144 nan 8.270 nan 0.000 0.467 232 R N 0.560 121.061 120.500 0.001 0.000 2.359 232 R HA 0.135 4.473 4.340 -0.003 0.000 0.231 232 R C 0.692 176.984 176.300 -0.013 0.000 0.913 232 R CA 0.506 56.601 56.100 -0.009 0.000 1.075 232 R CB 0.553 30.846 30.300 -0.012 0.000 1.087 232 R HN 0.555 nan 8.270 nan 0.000 0.515 233 G N 1.680 110.473 108.800 -0.011 0.000 2.160 233 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.244 233 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.244 233 G C 0.038 174.920 174.900 -0.031 0.000 1.022 233 G CA 0.000 45.084 45.100 -0.028 0.000 0.741 233 G HN 0.299 nan 8.290 nan 0.000 0.508 234 I N 0.130 120.695 120.570 -0.008 0.000 2.406 234 I HA 0.399 4.567 4.170 -0.003 0.000 0.290 234 I C 0.491 176.626 176.117 0.030 0.000 0.999 234 I CA -0.854 60.438 61.300 -0.013 0.000 1.124 234 I CB 1.653 39.642 38.000 -0.018 0.000 1.289 234 I HN -0.061 nan 8.210 nan 0.000 0.441 235 K N 5.505 125.869 120.400 -0.060 0.000 2.090 235 K HA 0.603 4.921 4.320 -0.003 0.000 0.249 235 K C -0.785 175.828 176.600 0.022 0.000 0.995 235 K CA -0.748 55.500 56.287 -0.065 0.000 0.914 235 K CB 1.480 33.705 32.500 -0.460 0.000 1.057 235 K HN 0.363 nan 8.250 nan 0.000 0.462 236 I N 3.091 123.709 120.570 0.080 0.000 2.389 236 I HA 0.294 4.462 4.170 -0.003 0.000 0.288 236 I C -0.554 175.674 176.117 0.184 0.000 0.999 236 I CA -0.639 60.757 61.300 0.161 0.000 1.129 236 I CB 1.152 39.224 38.000 0.119 0.000 1.288 236 I HN 0.408 nan 8.210 nan 0.000 0.444 237 I N 6.901 127.633 120.570 0.269 0.000 2.378 237 I HA 0.442 4.611 4.170 -0.003 0.000 0.291 237 I C 0.066 176.383 176.117 0.333 0.000 0.992 237 I CA -0.538 60.930 61.300 0.280 0.000 1.154 237 I CB 1.813 40.082 38.000 0.449 0.000 1.315 237 I HN 0.298 nan 8.210 nan 0.000 0.448 238 L N 4.406 125.705 121.223 0.126 0.000 2.344 238 L HA 0.437 4.775 4.340 -0.003 0.000 0.272 238 L C 0.172 177.211 176.870 0.281 0.000 1.035 238 L CA -0.777 54.137 54.840 0.123 0.000 0.807 238 L CB 1.634 43.606 42.059 -0.145 0.000 1.237 238 L HN 0.455 nan 8.230 nan 0.000 0.442 239 D N 1.812 122.330 120.400 0.198 0.000 2.316 239 D HA 0.357 4.996 4.640 -0.003 0.000 0.245 239 D C -0.533 175.814 176.300 0.079 0.000 1.171 239 D CA -0.089 54.037 54.000 0.209 0.000 0.856 239 D CB 1.673 42.566 40.800 0.155 0.000 1.090 239 D HN 0.545 nan 8.370 nan 0.000 0.476 240 A N 3.934 126.786 122.820 0.053 0.000 2.252 240 A HA 0.395 4.713 4.320 -0.003 0.000 0.309 240 A C -0.092 177.269 177.584 -0.372 0.000 1.285 240 A CA -0.647 51.181 52.037 -0.349 0.000 0.900 240 A CB 0.682 19.097 19.000 -0.975 0.000 1.157 240 A HN 0.384 nan 8.150 nan 0.000 0.536 241 V N 4.388 124.235 119.914 -0.111 0.000 2.184 241 V HA 0.152 4.271 4.120 -0.003 0.000 0.262 241 V C -0.147 176.097 176.094 0.250 0.000 1.209 241 V CA 0.046 62.377 62.300 0.050 0.000 1.070 241 V CB -1.005 30.898 31.823 0.133 0.000 1.244 241 V HN 0.823 nan 8.190 nan 0.000 0.477 242 F N 0.924 120.866 119.950 -0.015 0.000 2.727 242 F HA 0.181 4.706 4.527 -0.003 0.000 0.302 242 F C 1.959 177.610 175.800 -0.249 0.000 1.097 242 F CA -0.248 57.665 58.000 -0.146 0.000 1.330 242 F CB -0.532 38.349 39.000 -0.198 0.000 1.084 242 F HN 0.463 nan 8.300 nan 0.000 0.578 243 N N 0.375 119.045 118.700 -0.051 0.000 2.333 243 N HA -0.100 4.638 4.740 -0.003 0.000 0.178 243 N C -0.371 175.173 175.510 0.057 0.000 1.018 243 N CA 0.705 53.732 53.050 -0.038 0.000 0.882 243 N CB 0.147 38.669 38.487 0.058 0.000 0.984 243 N HN 0.378 nan 8.380 nan 0.000 0.434 244 H N -2.240 116.926 119.070 0.161 0.000 3.046 244 H HA 0.725 5.279 4.556 -0.003 0.000 0.361 244 H C -1.085 174.355 175.328 0.187 0.000 1.235 244 H CA -0.856 55.296 56.048 0.173 0.000 1.146 244 H CB 1.201 31.077 29.762 0.189 0.000 1.859 244 H HN 0.067 nan 8.280 nan 0.000 0.548 245 A N 1.279 124.275 122.820 0.292 0.000 2.326 245 A HA 0.834 5.152 4.320 -0.003 0.000 0.303 245 A C 0.541 178.247 177.584 0.203 0.000 1.164 245 A CA -0.438 51.722 52.037 0.206 0.000 0.929 245 A CB 0.329 19.353 19.000 0.039 0.000 1.363 245 A HN 1.068 nan 8.150 nan 0.000 0.498 246 G N -1.437 107.463 108.800 0.167 0.000 2.462 246 G HA2 0.424 4.382 3.960 -0.003 0.000 0.319 246 G HA3 0.424 4.382 3.960 -0.003 0.000 0.319 246 G C 0.026 174.993 174.900 0.113 0.000 1.171 246 G CA 0.314 45.500 45.100 0.142 0.000 0.920 246 G HN 0.769 nan 8.290 nan 0.000 0.499 247 D N -0.852 119.600 120.400 0.086 0.000 2.350 247 D HA -0.129 4.509 4.640 -0.003 0.000 0.216 247 D C 1.737 178.218 176.300 0.302 0.000 0.968 247 D CA 0.816 54.922 54.000 0.176 0.000 0.894 247 D CB 0.242 41.180 40.800 0.229 0.000 0.909 247 D HN 0.355 nan 8.370 nan 0.000 0.520 248 Q N -1.160 118.777 119.800 0.230 0.000 2.424 248 Q HA 0.177 4.516 4.340 -0.003 0.000 0.204 248 Q C -0.298 175.860 176.000 0.264 0.000 0.933 248 Q CA -0.303 55.622 55.803 0.203 0.000 0.929 248 Q CB -0.126 28.704 28.738 0.154 0.000 1.037 248 Q HN 0.356 nan 8.270 nan 0.000 0.511 249 F N 1.195 121.240 119.950 0.158 0.000 2.612 249 F HA -0.101 4.425 4.527 -0.003 0.000 0.389 249 F C 0.893 176.735 175.800 0.070 0.000 1.055 249 F CA -0.709 57.398 58.000 0.178 0.000 1.232 249 F CB 0.172 39.313 39.000 0.234 0.000 1.044 249 F HN 0.202 nan 8.300 nan 0.000 0.560 250 F N 4.665 124.355 119.950 -0.434 0.000 2.087 250 F HA -0.205 4.320 4.527 -0.003 0.000 0.299 250 F C 1.830 177.220 175.800 -0.683 0.000 1.100 250 F CA 1.658 59.352 58.000 -0.510 0.000 1.226 250 F CB -1.468 37.232 39.000 -0.500 0.000 0.983 250 F HN 0.412 nan 8.300 nan 0.000 0.479 251 A N -0.013 121.359 122.820 -2.413 0.000 1.933 251 A HA -0.132 4.186 4.320 -0.003 0.000 0.218 251 A C 2.161 179.464 177.584 -0.467 0.000 1.175 251 A CA 1.560 52.551 52.037 -1.743 0.000 0.628 251 A CB -1.528 16.402 19.000 -1.784 0.000 0.814 251 A HN 0.561 nan 8.150 nan 0.000 0.444 252 F N 0.394 120.155 119.950 -0.315 0.000 2.206 252 F HA -0.005 4.520 4.527 -0.003 0.000 0.298 252 F C 2.346 177.941 175.800 -0.340 0.000 1.090 252 F CA 1.192 58.924 58.000 -0.445 0.000 1.323 252 F CB -0.195 38.531 39.000 -0.457 0.000 1.028 252 F HN 0.097 nan 8.300 nan 0.000 0.492 253 R N -0.016 120.344 120.500 -0.233 0.000 2.096 253 R HA -0.190 4.148 4.340 -0.003 0.000 0.235 253 R C 2.125 178.258 176.300 -0.278 0.000 1.127 253 R CA 1.540 57.499 56.100 -0.235 0.000 0.968 253 R CB -0.779 29.463 30.300 -0.096 0.000 0.861 253 R HN 0.365 nan 8.270 nan 0.000 0.440 254 D N 0.336 120.569 120.400 -0.279 0.000 2.144 254 D HA -0.115 4.523 4.640 -0.003 0.000 0.199 254 D C 1.719 177.891 176.300 -0.213 0.000 0.984 254 D CA 1.016 54.891 54.000 -0.208 0.000 0.834 254 D CB 0.341 41.020 40.800 -0.202 0.000 0.955 254 D HN 0.015 nan 8.370 nan 0.000 0.465 255 V N 1.165 120.893 119.914 -0.309 0.000 2.358 255 V HA -0.196 3.922 4.120 -0.003 0.000 0.246 255 V C 2.749 178.613 176.094 -0.383 0.000 1.047 255 V CA 0.887 62.998 62.300 -0.315 0.000 1.035 255 V CB -0.397 31.178 31.823 -0.413 0.000 0.658 255 V HN 0.244 nan 8.190 nan 0.000 0.452 256 L N -0.486 120.393 121.223 -0.574 0.000 2.131 256 L HA -0.233 4.105 4.340 -0.003 0.000 0.210 256 L C 2.601 179.339 176.870 -0.220 0.000 1.092 256 L CA 1.608 56.188 54.840 -0.434 0.000 0.759 256 L CB -0.409 41.368 42.059 -0.469 0.000 0.903 256 L HN 0.430 nan 8.230 nan 0.000 0.435 257 Q N -0.438 119.246 119.800 -0.194 0.000 2.165 257 Q HA -0.068 4.270 4.340 -0.003 0.000 0.197 257 Q C 1.568 177.507 176.000 -0.101 0.000 0.952 257 Q CA 0.833 56.563 55.803 -0.121 0.000 0.848 257 Q CB 0.228 28.903 28.738 -0.105 0.000 0.931 257 Q HN 0.396 nan 8.270 nan 0.000 0.470 258 K N 0.118 120.448 120.400 -0.116 0.000 2.358 258 K HA 0.199 4.517 4.320 -0.003 0.000 0.197 258 K C 0.896 177.414 176.600 -0.137 0.000 1.025 258 K CA 0.340 56.563 56.287 -0.107 0.000 1.104 258 K CB 0.954 33.396 32.500 -0.097 0.000 0.855 258 K HN 0.246 nan 8.250 nan 0.000 0.531 259 G N 2.952 111.672 108.800 -0.134 0.000 2.684 259 G HA2 -0.428 3.531 3.960 -0.003 0.000 0.332 259 G HA3 -0.428 3.531 3.960 -0.003 0.000 0.332 259 G C 0.863 175.529 174.900 -0.390 0.000 1.306 259 G CA 0.764 45.780 45.100 -0.140 0.000 1.002 259 G HN 0.394 nan 8.290 nan 0.000 0.545 260 E N 0.071 119.789 120.200 -0.805 0.000 2.333 260 E HA -0.130 4.218 4.350 -0.003 0.000 0.198 260 E C 2.364 178.655 176.600 -0.514 0.000 1.007 260 E CA 1.811 57.489 56.400 -1.202 0.000 0.845 260 E CB -0.081 28.837 29.700 -1.302 0.000 0.766 260 E HN 0.493 nan 8.360 nan 0.000 0.507 261 Q N 0.194 119.802 119.800 -0.320 0.000 2.403 261 Q HA 0.089 4.427 4.340 -0.003 0.000 0.203 261 Q C 0.223 176.130 176.000 -0.155 0.000 0.932 261 Q CA -0.041 55.645 55.803 -0.195 0.000 0.945 261 Q CB 0.234 28.888 28.738 -0.139 0.000 1.045 261 Q HN -0.013 nan 8.270 nan 0.000 0.511 262 S N -0.458 115.144 115.700 -0.164 0.000 2.549 262 S HA 0.131 4.599 4.470 -0.003 0.000 0.279 262 S C 0.906 175.436 174.600 -0.116 0.000 1.321 262 S CA -0.470 57.670 58.200 -0.100 0.000 1.054 262 S CB 0.893 64.051 63.200 -0.070 0.000 0.899 262 S HN 0.310 nan 8.310 nan 0.000 0.497 263 R N 3.342 123.753 120.500 -0.148 0.000 2.316 263 R HA 0.073 4.411 4.340 -0.003 0.000 0.202 263 R C 0.074 176.004 176.300 -0.617 0.000 1.029 263 R CA 1.524 57.413 56.100 -0.353 0.000 1.018 263 R CB -0.428 29.602 30.300 -0.451 0.000 0.888 263 R HN 0.811 nan 8.270 nan 0.000 0.471 264 Y N -0.286 119.836 120.300 -0.295 0.000 2.584 264 Y HA 0.189 4.737 4.550 -0.003 0.000 0.254 264 Y C 1.331 177.207 175.900 -0.040 0.000 1.177 264 Y CA -0.309 57.503 58.100 -0.480 0.000 1.216 264 Y CB 0.268 38.284 38.460 -0.740 0.000 1.172 264 Y HN 0.079 nan 8.280 nan 0.000 0.529 265 K N -0.393 120.085 120.400 0.130 0.000 2.113 265 K HA -0.192 4.126 4.320 -0.003 0.000 0.208 265 K C 0.295 177.085 176.600 0.316 0.000 1.047 265 K CA 2.126 58.559 56.287 0.243 0.000 0.928 265 K CB -0.186 32.380 32.500 0.109 0.000 0.716 265 K HN 0.128 nan 8.250 nan 0.000 0.446 266 D N -0.363 120.176 120.400 0.232 0.000 2.336 266 D HA -0.039 4.599 4.640 -0.003 0.000 0.229 266 D C 0.513 176.908 176.300 0.158 0.000 1.061 266 D CA 0.359 54.460 54.000 0.168 0.000 0.875 266 D CB -0.093 40.767 40.800 0.100 0.000 0.904 266 D HN 0.380 nan 8.370 nan 0.000 0.525 267 W N -0.003 121.198 121.300 -0.165 0.000 3.139 267 W HA 0.188 4.846 4.660 -0.003 0.000 0.260 267 W C 0.269 176.282 176.519 -0.843 0.000 1.312 267 W CA -0.216 56.822 57.345 -0.512 0.000 1.606 267 W CB -0.188 28.900 29.460 -0.620 0.000 1.118 267 W HN -0.186 nan 8.180 nan 0.000 0.675 268 F N -2.232 117.839 119.950 0.201 0.000 2.764 268 F HA 0.467 4.992 4.527 -0.003 0.000 0.347 268 F C -0.733 175.061 175.800 -0.011 0.000 1.151 268 F CA -1.735 56.370 58.000 0.175 0.000 1.021 268 F CB 0.377 39.574 39.000 0.329 0.000 1.438 268 F HN -0.542 nan 8.300 nan 0.000 0.516 269 F N 2.313 122.515 119.950 0.420 0.000 2.310 269 F HA 0.505 5.031 4.527 -0.003 0.000 0.365 269 F C -0.320 175.658 175.800 0.298 0.000 1.080 269 F CA -0.308 57.860 58.000 0.279 0.000 1.187 269 F CB 0.354 39.476 39.000 0.203 0.000 1.465 269 F HN -0.010 nan 8.300 nan 0.000 0.496 270 I N 1.620 122.411 120.570 0.368 0.000 2.525 270 I HA 0.327 4.496 4.170 -0.003 0.000 0.301 270 I C 0.638 176.806 176.117 0.086 0.000 0.992 270 I CA -0.481 60.986 61.300 0.278 0.000 1.162 270 I CB 2.184 40.368 38.000 0.306 0.000 1.332 270 I HN 0.353 nan 8.210 nan 0.000 0.458 271 E N 2.745 122.931 120.200 -0.025 0.000 2.098 271 E HA 0.024 4.372 4.350 -0.003 0.000 0.196 271 E C -0.630 175.740 176.600 -0.383 0.000 0.955 271 E CA 0.601 56.926 56.400 -0.125 0.000 0.936 271 E CB 0.327 29.997 29.700 -0.050 0.000 1.054 271 E HN 0.686 nan 8.360 nan 0.000 0.482 272 D N -0.305 119.877 120.400 -0.364 0.000 2.498 272 D HA 0.223 4.862 4.640 -0.003 0.000 0.247 272 D C -1.084 174.944 176.300 -0.452 0.000 1.070 272 D CA -0.616 53.097 54.000 -0.477 0.000 0.842 272 D CB 0.662 41.349 40.800 -0.187 0.000 1.361 272 D HN 0.014 nan 8.370 nan 0.000 0.484 273 F N 1.130 121.108 119.950 0.045 0.000 2.399 273 F HA 0.406 4.931 4.527 -0.003 0.000 0.334 273 F C -1.271 174.543 175.800 0.022 0.000 1.097 273 F CA -1.978 56.040 58.000 0.030 0.000 1.076 273 F CB 0.019 39.029 39.000 0.017 0.000 1.162 273 F HN 0.113 nan 8.300 nan 0.000 0.495 274 P HA 0.050 nan 4.420 nan 0.000 0.266 274 P C 0.717 178.098 177.300 0.135 0.000 1.195 274 P CA -0.180 63.011 63.100 0.151 0.000 0.768 274 P CB 1.036 32.786 31.700 0.084 0.000 0.838 275 V N 1.836 121.840 119.914 0.149 0.000 2.282 275 V HA -0.182 3.936 4.120 -0.003 0.000 0.227 275 V C 1.452 177.666 176.094 0.200 0.000 0.985 275 V CA 1.893 64.288 62.300 0.158 0.000 1.002 275 V CB -1.128 30.721 31.823 0.043 0.000 0.655 275 V HN 0.765 nan 8.190 nan 0.000 0.484 276 S N -0.332 115.497 115.700 0.216 0.000 2.438 276 S HA 0.215 4.683 4.470 -0.003 0.000 0.293 276 S C 0.916 175.585 174.600 0.116 0.000 1.141 276 S CA -0.586 57.753 58.200 0.232 0.000 1.080 276 S CB 0.924 64.356 63.200 0.387 0.000 0.978 276 S HN 0.418 nan 8.310 nan 0.000 0.479 277 K N 3.136 123.578 120.400 0.070 0.000 2.025 277 K HA -0.034 4.284 4.320 -0.003 0.000 0.207 277 K C 0.040 176.665 176.600 0.041 0.000 1.049 277 K CA 1.918 58.229 56.287 0.041 0.000 0.933 277 K CB -0.654 31.857 32.500 0.017 0.000 0.714 277 K HN 1.102 nan 8.250 nan 0.000 0.438 278 T N -3.764 110.814 114.554 0.039 0.000 0.613 278 T HA -0.072 4.276 4.350 -0.003 0.000 0.768 278 T C -0.082 174.628 174.700 0.016 0.000 0.991 278 T CA 0.650 62.775 62.100 0.040 0.000 4.045 278 T CB -1.825 67.070 68.868 0.045 0.000 2.287 278 T HN 0.250 nan 8.240 nan 0.000 0.397 279 S N -0.035 115.670 115.700 0.007 0.000 3.171 279 S HA -0.194 4.274 4.470 -0.003 0.000 0.279 279 S C 0.648 175.230 174.600 -0.030 0.000 1.294 279 S CA 1.481 59.677 58.200 -0.007 0.000 1.077 279 S CB -0.927 62.273 63.200 0.001 0.000 1.298 279 S HN 1.703 nan 8.310 nan 0.000 0.666 280 R N 1.007 121.479 120.500 -0.047 0.000 2.455 280 R HA 0.145 4.484 4.340 -0.003 0.000 0.256 280 R C -0.039 176.195 176.300 -0.109 0.000 0.804 280 R CA 0.749 56.807 56.100 -0.069 0.000 0.986 280 R CB -0.565 29.708 30.300 -0.046 0.000 1.350 280 R HN 0.435 nan 8.270 nan 0.000 0.632 281 T N 0.046 114.497 114.554 -0.173 0.000 2.647 281 T HA -0.192 4.157 4.350 -0.003 0.000 0.238 281 T C 0.594 175.116 174.700 -0.297 0.000 1.019 281 T CA 1.044 62.937 62.100 -0.346 0.000 1.151 281 T CB 0.204 68.600 68.868 -0.786 0.000 1.026 281 T HN 0.519 nan 8.240 nan 0.000 0.463 282 N N 2.745 121.350 118.700 -0.159 0.000 2.558 282 N HA 0.239 4.977 4.740 -0.003 0.000 0.281 282 N C -0.888 174.675 175.510 0.089 0.000 1.219 282 N CA -0.852 52.173 53.050 -0.043 0.000 0.942 282 N CB -0.260 38.225 38.487 -0.003 0.000 1.241 282 N HN 0.861 nan 8.380 nan 0.000 0.511 283 Y N -3.125 117.233 120.300 0.097 0.000 2.479 283 Y HA 0.519 5.068 4.550 -0.003 0.000 0.338 283 Y C -0.212 175.769 175.900 0.136 0.000 1.055 283 Y CA -1.700 56.497 58.100 0.161 0.000 1.023 283 Y CB 0.650 39.260 38.460 0.250 0.000 1.287 283 Y HN 0.046 nan 8.280 nan 0.000 0.447 284 E N 2.099 122.485 120.200 0.309 0.000 2.414 284 E HA 0.375 4.723 4.350 -0.003 0.000 0.263 284 E C -0.367 176.365 176.600 0.220 0.000 1.000 284 E CA 0.415 56.908 56.400 0.155 0.000 0.914 284 E CB 0.733 30.473 29.700 0.066 0.000 0.948 284 E HN 0.875 nan 8.360 nan 0.000 0.444 285 T N 1.104 115.701 114.554 0.071 0.000 2.831 285 T HA 0.349 4.697 4.350 -0.003 0.000 0.287 285 T C -0.297 174.416 174.700 0.021 0.000 1.070 285 T CA -0.927 61.231 62.100 0.097 0.000 1.010 285 T CB 0.484 69.378 68.868 0.043 0.000 1.264 285 T HN 0.439 nan 8.240 nan 0.000 0.532 286 F N 2.199 122.071 119.950 -0.129 0.000 2.563 286 F HA 0.436 4.961 4.527 -0.003 0.000 0.363 286 F C 1.053 176.760 175.800 -0.156 0.000 1.123 286 F CA 0.667 58.544 58.000 -0.205 0.000 1.307 286 F CB -0.438 38.219 39.000 -0.571 0.000 1.115 286 F HN 1.339 nan 8.300 nan 0.000 0.592 287 A N 2.703 124.805 122.820 -1.197 0.000 5.695 287 A HA -0.243 4.075 4.320 -0.003 0.000 0.297 287 A C -0.529 176.777 177.584 -0.464 0.000 1.947 287 A CA 0.840 52.294 52.037 -0.972 0.000 0.717 287 A CB -2.133 16.092 19.000 -1.292 0.000 1.252 287 A HN 1.311 nan 8.150 nan 0.000 0.378 288 V N 0.822 120.523 119.914 -0.354 0.000 2.370 288 V HA 0.519 4.637 4.120 -0.003 0.000 0.283 288 V C 0.510 176.507 176.094 -0.161 0.000 1.023 288 V CA 0.640 62.809 62.300 -0.218 0.000 0.857 288 V CB 0.825 32.541 31.823 -0.179 0.000 0.985 288 V HN 0.943 nan 8.190 nan 0.000 0.443 289 Q N 2.248 121.963 119.800 -0.142 0.000 2.437 289 Q HA -0.161 4.177 4.340 -0.003 0.000 0.354 289 Q C -0.418 175.538 176.000 -0.075 0.000 1.402 289 Q CA 0.210 55.941 55.803 -0.119 0.000 1.020 289 Q CB -0.706 27.972 28.738 -0.100 0.000 1.220 289 Q HN 0.604 nan 8.270 nan 0.000 0.368 290 V N 1.720 121.603 119.914 -0.052 0.000 2.250 290 V HA 0.101 4.219 4.120 -0.003 0.000 0.268 290 V C -0.897 175.240 176.094 0.071 0.000 1.043 290 V CA -0.879 61.441 62.300 0.033 0.000 0.814 290 V CB 0.969 32.849 31.823 0.096 0.000 1.072 290 V HN 0.333 nan 8.190 nan 0.000 0.451 291 P HA -0.224 nan 4.420 nan 0.000 0.217 291 P C 1.337 178.784 177.300 0.245 0.000 1.148 291 P CA 1.821 65.030 63.100 0.181 0.000 0.834 291 P CB 0.478 32.269 31.700 0.151 0.000 0.783 292 A N -1.071 121.852 122.820 0.172 0.000 2.168 292 A HA 0.056 4.375 4.320 -0.003 0.000 0.215 292 A C 1.606 179.255 177.584 0.109 0.000 1.152 292 A CA 0.695 52.822 52.037 0.151 0.000 0.716 292 A CB -0.780 18.317 19.000 0.161 0.000 0.794 292 A HN 0.205 nan 8.150 nan 0.000 0.465 293 M N 1.501 121.161 119.600 0.100 0.000 2.236 293 M HA 0.238 4.716 4.480 -0.003 0.000 0.228 293 M C -2.905 173.448 176.300 0.088 0.000 0.906 293 M CA -1.733 53.604 55.300 0.063 0.000 0.761 293 M CB 1.757 34.302 32.600 -0.092 0.000 1.439 293 M HN -0.044 nan 8.290 nan 0.000 0.394 294 P HA 0.060 nan 4.420 nan 0.000 0.271 294 P C -0.752 176.707 177.300 0.265 0.000 1.220 294 P CA -0.008 63.100 63.100 0.013 0.000 0.768 294 P CB 0.832 31.999 31.700 -0.887 0.000 0.848 295 K N 4.003 124.624 120.400 0.368 0.000 2.448 295 K HA 0.138 4.457 4.320 -0.003 0.000 0.278 295 K C -0.332 176.569 176.600 0.502 0.000 1.009 295 K CA -0.293 56.236 56.287 0.403 0.000 0.995 295 K CB 0.087 32.747 32.500 0.268 0.000 0.917 295 K HN 0.472 nan 8.250 nan 0.000 0.481 296 L N 4.312 125.728 121.223 0.322 0.000 2.334 296 L HA 0.304 4.642 4.340 -0.003 0.000 0.277 296 L C 0.807 177.754 176.870 0.129 0.000 1.075 296 L CA -0.437 54.473 54.840 0.116 0.000 0.804 296 L CB 1.153 43.173 42.059 -0.065 0.000 1.174 296 L HN 0.626 nan 8.230 nan 0.000 0.438 297 R N 1.269 121.717 120.500 -0.087 0.000 3.266 297 R HA 0.052 4.391 4.340 -0.003 0.000 0.224 297 R C 1.038 177.193 176.300 -0.241 0.000 1.525 297 R CA -0.014 55.984 56.100 -0.171 0.000 1.364 297 R CB 0.120 30.109 30.300 -0.518 0.000 1.276 297 R HN 0.825 nan 8.270 nan 0.000 0.660 298 T N -1.366 113.053 114.554 -0.226 0.000 3.077 298 T HA -0.096 4.252 4.350 -0.003 0.000 0.269 298 T C 1.011 175.603 174.700 -0.181 0.000 1.146 298 T CA 0.986 62.877 62.100 -0.347 0.000 1.091 298 T CB 0.032 68.419 68.868 -0.802 0.000 0.892 298 T HN 0.560 nan 8.240 nan 0.000 0.533 299 E N 1.079 121.198 120.200 -0.135 0.000 2.285 299 E HA 0.045 4.393 4.350 -0.003 0.000 0.194 299 E C 0.801 177.321 176.600 -0.134 0.000 0.997 299 E CA -0.127 56.224 56.400 -0.083 0.000 0.845 299 E CB 0.037 29.719 29.700 -0.029 0.000 0.782 299 E HN 0.431 nan 8.360 nan 0.000 0.491 300 N N 1.730 120.301 118.700 -0.216 0.000 2.442 300 N HA -0.007 4.731 4.740 -0.003 0.000 0.265 300 N C -1.701 173.629 175.510 -0.300 0.000 1.138 300 N CA -1.556 51.340 53.050 -0.257 0.000 0.956 300 N CB 1.136 39.413 38.487 -0.350 0.000 1.067 300 N HN -0.118 nan 8.380 nan 0.000 0.474 301 P HA -0.139 nan 4.420 nan 0.000 0.221 301 P C 0.467 177.593 177.300 -0.291 0.000 1.145 301 P CA 1.287 64.244 63.100 -0.239 0.000 0.795 301 P CB 0.517 32.126 31.700 -0.151 0.000 0.775 302 E N -0.346 119.655 120.200 -0.331 0.000 2.107 302 E HA -0.062 4.286 4.350 -0.003 0.000 0.191 302 E C 2.118 178.272 176.600 -0.744 0.000 0.982 302 E CA 0.728 56.913 56.400 -0.358 0.000 0.809 302 E CB -0.301 29.296 29.700 -0.172 0.000 0.756 302 E HN 0.074 nan 8.360 nan 0.000 0.459 303 V N 1.667 120.965 119.914 -1.026 0.000 2.358 303 V HA -0.245 3.873 4.120 -0.003 0.000 0.246 303 V C 2.360 178.135 176.094 -0.532 0.000 1.047 303 V CA 1.734 63.422 62.300 -1.021 0.000 1.035 303 V CB -0.372 30.949 31.823 -0.837 0.000 0.658 303 V HN 0.182 nan 8.190 nan 0.000 0.452 304 K N 0.368 120.486 120.400 -0.469 0.000 2.026 304 K HA -0.271 4.047 4.320 -0.003 0.000 0.208 304 K C 2.255 178.398 176.600 -0.762 0.000 1.048 304 K CA 2.137 58.069 56.287 -0.592 0.000 0.929 304 K CB -0.203 31.900 32.500 -0.662 0.000 0.713 304 K HN 0.572 nan 8.250 nan 0.000 0.439 305 E N -0.574 119.342 120.200 -0.472 0.000 2.085 305 E HA -0.262 4.086 4.350 -0.003 0.000 0.194 305 E C 1.970 178.519 176.600 -0.084 0.000 0.994 305 E CA 1.356 57.614 56.400 -0.237 0.000 0.801 305 E CB -0.280 29.357 29.700 -0.104 0.000 0.743 305 E HN 0.462 nan 8.360 nan 0.000 0.453 306 Y N 1.128 121.325 120.300 -0.172 0.000 2.114 306 Y HA -0.200 4.348 4.550 -0.003 0.000 0.284 306 Y C 2.025 177.885 175.900 -0.067 0.000 1.143 306 Y CA 1.883 59.971 58.100 -0.020 0.000 1.135 306 Y CB -0.191 38.307 38.460 0.065 0.000 0.980 306 Y HN 0.032 nan 8.280 nan 0.000 0.499 307 L N -1.087 120.046 121.223 -0.149 0.000 2.201 307 L HA -0.213 4.126 4.340 -0.003 0.000 0.212 307 L C 2.308 179.097 176.870 -0.135 0.000 1.105 307 L CA 1.168 55.753 54.840 -0.424 0.000 0.775 307 L CB -0.664 40.920 42.059 -0.793 0.000 0.913 307 L HN 0.299 nan 8.230 nan 0.000 0.440 308 F N 0.196 120.006 119.950 -0.233 0.000 2.206 308 F HA -0.190 4.336 4.527 -0.003 0.000 0.298 308 F C 2.268 178.061 175.800 -0.011 0.000 1.090 308 F CA 0.214 58.166 58.000 -0.080 0.000 1.323 308 F CB -0.020 38.920 39.000 -0.101 0.000 1.028 308 F HN 0.150 nan 8.300 nan 0.000 0.492 309 D N 0.198 120.666 120.400 0.113 0.000 2.144 309 D HA -0.137 4.501 4.640 -0.003 0.000 0.199 309 D C 2.358 178.704 176.300 0.076 0.000 0.984 309 D CA 0.902 54.932 54.000 0.049 0.000 0.834 309 D CB -0.484 40.277 40.800 -0.066 0.000 0.955 309 D HN 0.028 nan 8.370 nan 0.000 0.465 310 V N 1.376 121.293 119.914 0.005 0.000 2.255 310 V HA -0.271 3.847 4.120 -0.003 0.000 0.247 310 V C 2.530 178.962 176.094 0.563 0.000 1.051 310 V CA 1.975 64.395 62.300 0.201 0.000 1.018 310 V CB -0.874 31.049 31.823 0.167 0.000 0.641 310 V HN 0.199 nan 8.190 nan 0.000 0.445 311 A N -0.152 122.988 122.820 0.533 0.000 1.883 311 A HA -0.268 4.051 4.320 -0.003 0.000 0.217 311 A C 2.333 180.322 177.584 0.675 0.000 1.186 311 A CA 2.133 54.584 52.037 0.690 0.000 0.624 311 A CB -0.558 18.722 19.000 0.467 0.000 0.822 311 A HN 0.529 nan 8.150 nan 0.000 0.444 312 R N -1.837 118.898 120.500 0.391 0.000 2.096 312 R HA -0.169 4.170 4.340 -0.003 0.000 0.240 312 R C 2.028 178.484 176.300 0.259 0.000 1.139 312 R CA 1.781 58.044 56.100 0.272 0.000 0.952 312 R CB -0.637 29.766 30.300 0.171 0.000 0.854 312 R HN 0.612 nan 8.270 nan 0.000 0.436 313 F N -0.071 119.933 119.950 0.091 0.000 2.095 313 F HA -0.252 4.274 4.527 -0.003 0.000 0.298 313 F C 1.578 177.309 175.800 -0.116 0.000 1.104 313 F CA 1.569 59.506 58.000 -0.105 0.000 1.232 313 F CB -0.238 38.575 39.000 -0.312 0.000 0.987 313 F HN 0.038 nan 8.300 nan 0.000 0.475 314 W N -0.064 121.447 121.300 0.351 0.000 2.436 314 W HA -0.064 4.595 4.660 -0.003 0.000 0.284 314 W C 2.367 178.987 176.519 0.169 0.000 1.225 314 W CA 0.752 58.254 57.345 0.262 0.000 1.271 314 W CB -0.401 29.393 29.460 0.558 0.000 1.114 314 W HN -0.016 nan 8.180 nan 0.000 0.559 315 M N -0.073 119.777 119.600 0.418 0.000 2.374 315 M HA -0.142 4.336 4.480 -0.003 0.000 0.264 315 M C 1.456 177.826 176.300 0.118 0.000 1.067 315 M CA 1.445 56.900 55.300 0.259 0.000 1.103 315 M CB -0.357 32.426 32.600 0.304 0.000 1.402 315 M HN 0.051 nan 8.290 nan 0.000 0.444 316 E N 0.025 120.237 120.200 0.020 0.000 2.347 316 E HA -0.144 4.204 4.350 -0.003 0.000 0.196 316 E C 1.630 178.171 176.600 -0.098 0.000 1.008 316 E CA 0.543 56.898 56.400 -0.075 0.000 0.852 316 E CB 0.076 29.670 29.700 -0.177 0.000 0.783 316 E HN 0.466 nan 8.360 nan 0.000 0.505 317 Q N -0.559 119.202 119.800 -0.064 0.000 2.444 317 Q HA 0.051 4.389 4.340 -0.003 0.000 0.206 317 Q C 1.145 177.195 176.000 0.083 0.000 0.948 317 Q CA 0.770 56.592 55.803 0.032 0.000 0.946 317 Q CB 0.857 29.762 28.738 0.279 0.000 1.027 317 Q HN 0.397 nan 8.270 nan 0.000 0.513 318 G N 1.699 110.551 108.800 0.087 0.000 2.130 318 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.216 318 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.216 318 G C 0.327 175.309 174.900 0.137 0.000 0.999 318 G CA 0.313 45.473 45.100 0.100 0.000 0.686 318 G HN 0.462 nan 8.290 nan 0.000 0.515 319 I N -3.061 117.586 120.570 0.129 0.000 3.138 319 I HA 0.525 4.694 4.170 -0.003 0.000 0.288 319 I C 0.501 176.648 176.117 0.051 0.000 1.148 319 I CA -0.270 61.081 61.300 0.086 0.000 1.315 319 I CB 0.595 38.614 38.000 0.032 0.000 1.426 319 I HN -0.077 nan 8.210 nan 0.000 0.615 320 D N 1.811 122.233 120.400 0.037 0.000 2.431 320 D HA 0.353 4.991 4.640 -0.003 0.000 0.213 320 D C 0.486 176.873 176.300 0.146 0.000 1.130 320 D CA 0.263 54.295 54.000 0.054 0.000 0.834 320 D CB 1.277 42.037 40.800 -0.068 0.000 0.985 320 D HN 0.901 nan 8.370 nan 0.000 0.504 321 G N 0.283 109.072 108.800 -0.018 0.000 2.324 321 G HA2 0.313 4.272 3.960 -0.003 0.000 0.293 321 G HA3 0.313 4.272 3.960 -0.003 0.000 0.293 321 G C -2.258 172.511 174.900 -0.218 0.000 1.297 321 G CA -1.078 44.031 45.100 0.016 0.000 0.853 321 G HN 0.041 nan 8.290 nan 0.000 0.535 322 W N -0.402 120.996 121.300 0.164 0.000 3.032 322 W HA 0.796 5.454 4.660 -0.003 0.000 0.335 322 W C -0.051 176.394 176.519 -0.124 0.000 1.154 322 W CA -0.936 56.468 57.345 0.098 0.000 1.204 322 W CB 2.160 31.741 29.460 0.201 0.000 1.416 322 W HN 0.443 nan 8.180 nan 0.000 0.521 323 R N 2.880 123.454 120.500 0.122 0.000 2.343 323 R HA 0.515 4.853 4.340 -0.003 0.000 0.320 323 R C -1.410 174.799 176.300 -0.153 0.000 0.956 323 R CA -0.731 55.242 56.100 -0.212 0.000 0.836 323 R CB 0.887 31.014 30.300 -0.288 0.000 1.151 323 R HN 0.716 nan 8.270 nan 0.000 0.450 324 L N 4.511 125.508 121.223 -0.377 0.000 2.255 324 L HA 0.372 4.711 4.340 -0.003 0.000 0.289 324 L C 0.965 177.694 176.870 -0.236 0.000 1.046 324 L CA -0.442 54.155 54.840 -0.406 0.000 0.816 324 L CB 0.882 42.421 42.059 -0.866 0.000 1.197 324 L HN 0.464 nan 8.230 nan 0.000 0.427 325 N N 2.400 121.062 118.700 -0.063 0.000 2.454 325 N HA 0.027 4.765 4.740 -0.003 0.000 0.260 325 N C 0.655 176.186 175.510 0.035 0.000 1.218 325 N CA -0.252 52.828 53.050 0.050 0.000 0.904 325 N CB 0.934 39.511 38.487 0.150 0.000 1.065 325 N HN 0.490 nan 8.380 nan 0.000 0.462 326 V N 2.435 122.390 119.914 0.068 0.000 5.043 326 V HA -0.344 3.774 4.120 -0.003 0.000 0.267 326 V C 1.759 177.915 176.094 0.103 0.000 0.597 326 V CA 1.089 63.454 62.300 0.108 0.000 0.703 326 V CB -2.672 29.275 31.823 0.208 0.000 0.558 326 V HN 0.853 nan 8.190 nan 0.000 1.038 327 A N 1.431 124.254 122.820 0.005 0.000 1.948 327 A HA -0.268 4.050 4.320 -0.003 0.000 0.220 327 A C 1.866 179.564 177.584 0.191 0.000 1.177 327 A CA 2.240 54.309 52.037 0.053 0.000 0.636 327 A CB -0.679 18.012 19.000 -0.514 0.000 0.815 327 A HN 1.094 nan 8.150 nan 0.000 0.449 328 N N -0.921 117.732 118.700 -0.078 0.000 2.609 328 N HA -0.077 4.661 4.740 -0.003 0.000 0.190 328 N C 0.792 176.456 175.510 0.256 0.000 1.157 328 N CA 0.851 53.885 53.050 -0.026 0.000 0.918 328 N CB -0.105 38.266 38.487 -0.192 0.000 0.978 328 N HN 0.645 nan 8.380 nan 0.000 0.448 329 E N 0.322 120.648 120.200 0.209 0.000 2.538 329 E HA 0.163 4.511 4.350 -0.003 0.000 0.207 329 E C -0.661 176.002 176.600 0.105 0.000 1.002 329 E CA -0.233 56.260 56.400 0.154 0.000 0.952 329 E CB 1.087 30.861 29.700 0.122 0.000 1.031 329 E HN 0.110 nan 8.360 nan 0.000 0.476 330 V N 2.869 122.873 119.914 0.150 0.000 2.630 330 V HA 0.064 4.182 4.120 -0.003 0.000 0.305 330 V C 0.059 176.110 176.094 -0.070 0.000 1.046 330 V CA -1.024 61.207 62.300 -0.116 0.000 0.934 330 V CB 1.784 33.376 31.823 -0.385 0.000 1.003 330 V HN 0.209 nan 8.190 nan 0.000 0.451 331 D N 2.032 122.325 120.400 -0.179 0.000 2.399 331 D HA 0.012 4.650 4.640 -0.003 0.000 0.241 331 D C 0.712 177.026 176.300 0.023 0.000 1.133 331 D CA -0.053 53.920 54.000 -0.044 0.000 0.890 331 D CB 0.966 41.774 40.800 0.013 0.000 1.201 331 D HN 0.616 nan 8.370 nan 0.000 0.432 332 H N 1.229 120.431 119.070 0.220 0.000 2.352 332 H HA -0.089 4.465 4.556 -0.003 0.000 0.299 332 H C 2.118 177.579 175.328 0.221 0.000 1.097 332 H CA 2.415 58.612 56.048 0.248 0.000 1.311 332 H CB -0.029 29.770 29.762 0.061 0.000 1.377 332 H HN 0.649 nan 8.280 nan 0.000 0.504 333 A N 0.608 123.585 122.820 0.261 0.000 1.908 333 A HA -0.212 4.106 4.320 -0.003 0.000 0.218 333 A C 2.138 179.855 177.584 0.222 0.000 1.181 333 A CA 1.531 53.683 52.037 0.191 0.000 0.627 333 A CB -0.970 18.101 19.000 0.119 0.000 0.818 333 A HN 0.477 nan 8.150 nan 0.000 0.445 334 F N -0.828 119.124 119.950 0.004 0.000 2.126 334 F HA -0.199 4.326 4.527 -0.003 0.000 0.299 334 F C 2.011 177.910 175.800 0.165 0.000 1.096 334 F CA 1.722 59.684 58.000 -0.063 0.000 1.255 334 F CB -0.461 38.294 39.000 -0.409 0.000 0.997 334 F HN 0.430 nan 8.300 nan 0.000 0.479 335 W N 0.272 121.936 121.300 0.607 0.000 2.436 335 W HA -0.047 4.611 4.660 -0.003 0.000 0.284 335 W C 2.579 179.329 176.519 0.385 0.000 1.225 335 W CA 0.432 58.118 57.345 0.568 0.000 1.271 335 W CB -0.269 29.508 29.460 0.529 0.000 1.114 335 W HN -0.175 nan 8.180 nan 0.000 0.559 336 R N 0.498 121.279 120.500 0.469 0.000 2.075 336 R HA -0.115 4.223 4.340 -0.003 0.000 0.232 336 R C 1.817 178.245 176.300 0.213 0.000 1.126 336 R CA 1.436 57.698 56.100 0.271 0.000 0.963 336 R CB -0.351 30.052 30.300 0.171 0.000 0.858 336 R HN 0.299 nan 8.270 nan 0.000 0.435 337 E N -0.217 120.119 120.200 0.225 0.000 2.152 337 E HA -0.167 4.181 4.350 -0.003 0.000 0.192 337 E C 1.590 178.209 176.600 0.032 0.000 0.983 337 E CA 0.740 57.242 56.400 0.169 0.000 0.818 337 E CB -0.083 29.780 29.700 0.272 0.000 0.758 337 E HN 0.186 nan 8.360 nan 0.000 0.467 338 F N 2.064 121.976 119.950 -0.064 0.000 2.102 338 F HA -0.167 4.358 4.527 -0.003 0.000 0.298 338 F C 2.397 178.153 175.800 -0.072 0.000 1.105 338 F CA 1.568 59.397 58.000 -0.286 0.000 1.239 338 F CB -0.046 39.077 39.000 0.206 0.000 0.991 338 F HN -0.213 nan 8.300 nan 0.000 0.474 339 R N 0.314 120.884 120.500 0.116 0.000 2.081 339 R HA -0.210 4.128 4.340 -0.003 0.000 0.235 339 R C 2.587 178.838 176.300 -0.083 0.000 1.131 339 R CA 1.743 57.854 56.100 0.019 0.000 0.960 339 R CB -0.431 29.951 30.300 0.137 0.000 0.856 339 R HN 0.301 nan 8.270 nan 0.000 0.436 340 R N 0.360 120.825 120.500 -0.058 0.000 2.081 340 R HA -0.164 4.174 4.340 -0.003 0.000 0.235 340 R C 2.333 178.558 176.300 -0.125 0.000 1.131 340 R CA 1.587 57.650 56.100 -0.062 0.000 0.960 340 R CB -0.375 29.911 30.300 -0.024 0.000 0.856 340 R HN 0.271 nan 8.270 nan 0.000 0.436 341 L N 0.536 121.613 121.223 -0.243 0.000 1.994 341 L HA -0.129 4.210 4.340 -0.003 0.000 0.208 341 L C 2.115 178.834 176.870 -0.251 0.000 1.071 341 L CA 1.648 56.314 54.840 -0.289 0.000 0.745 341 L CB -0.612 41.119 42.059 -0.546 0.000 0.892 341 L HN 0.025 nan 8.230 nan 0.000 0.431 342 V N 0.213 119.897 119.914 -0.384 0.000 2.255 342 V HA -0.284 3.834 4.120 -0.003 0.000 0.247 342 V C 2.722 178.775 176.094 -0.068 0.000 1.051 342 V CA 2.004 64.165 62.300 -0.231 0.000 1.018 342 V CB -0.894 30.724 31.823 -0.343 0.000 0.641 342 V HN 0.431 nan 8.190 nan 0.000 0.445 343 K N 0.911 121.273 120.400 -0.063 0.000 2.148 343 K HA -0.094 4.224 4.320 -0.003 0.000 0.204 343 K C 2.439 179.041 176.600 0.003 0.000 1.050 343 K CA 1.653 57.939 56.287 -0.001 0.000 0.942 343 K CB -0.732 31.774 32.500 0.009 0.000 0.724 343 K HN 0.700 nan 8.250 nan 0.000 0.446 344 S N 0.889 116.577 115.700 -0.019 0.000 2.387 344 S HA -0.026 4.442 4.470 -0.003 0.000 0.226 344 S C 2.173 176.776 174.600 0.005 0.000 1.026 344 S CA 0.575 58.772 58.200 -0.006 0.000 0.972 344 S CB -0.472 62.718 63.200 -0.017 0.000 0.814 344 S HN 0.172 nan 8.310 nan 0.000 0.477 345 L N 0.821 122.046 121.223 0.003 0.000 2.131 345 L HA 0.210 4.548 4.340 -0.003 0.000 0.206 345 L C 0.779 177.673 176.870 0.040 0.000 1.087 345 L CA 0.722 55.577 54.840 0.025 0.000 0.767 345 L CB -0.301 41.780 42.059 0.038 0.000 0.917 345 L HN 0.364 nan 8.230 nan 0.000 0.441 346 N N -1.274 117.455 118.700 0.048 0.000 2.747 346 N HA 0.162 4.900 4.740 -0.003 0.000 0.262 346 N C -2.331 173.224 175.510 0.075 0.000 1.261 346 N CA -1.277 51.812 53.050 0.064 0.000 0.809 346 N CB 1.554 40.090 38.487 0.083 0.000 1.450 346 N HN -0.289 nan 8.380 nan 0.000 0.560 347 P HA -0.017 nan 4.420 nan 0.000 0.219 347 P C 0.125 177.489 177.300 0.107 0.000 1.146 347 P CA 1.097 64.241 63.100 0.073 0.000 0.808 347 P CB 0.378 32.114 31.700 0.060 0.000 0.779 348 D N -1.170 119.318 120.400 0.147 0.000 2.328 348 D HA 0.134 4.772 4.640 -0.003 0.000 0.221 348 D C 0.591 177.111 176.300 0.367 0.000 1.072 348 D CA 0.080 54.235 54.000 0.259 0.000 0.850 348 D CB 0.158 41.136 40.800 0.296 0.000 0.922 348 D HN 0.089 nan 8.370 nan 0.000 0.516 349 A N 1.181 124.145 122.820 0.240 0.000 2.409 349 A HA 0.286 4.605 4.320 -0.003 0.000 0.262 349 A C -0.050 177.681 177.584 0.244 0.000 1.113 349 A CA -0.319 51.871 52.037 0.255 0.000 0.790 349 A CB 0.423 19.535 19.000 0.187 0.000 1.046 349 A HN 0.183 nan 8.150 nan 0.000 0.496 350 L N 3.201 124.602 121.223 0.296 0.000 2.375 350 L HA 0.615 4.953 4.340 -0.003 0.000 0.271 350 L C -0.444 176.514 176.870 0.146 0.000 1.107 350 L CA 0.071 55.004 54.840 0.154 0.000 0.806 350 L CB 0.778 42.922 42.059 0.142 0.000 1.146 350 L HN 0.580 nan 8.230 nan 0.000 0.447 351 I N 5.497 126.100 120.570 0.056 0.000 2.448 351 I HA 0.339 4.507 4.170 -0.003 0.000 0.281 351 I C -1.112 174.870 176.117 -0.225 0.000 1.027 351 I CA -0.648 60.679 61.300 0.046 0.000 1.111 351 I CB 1.669 39.781 38.000 0.187 0.000 1.236 351 I HN 0.209 nan 8.210 nan 0.000 0.452 352 V N 4.986 124.623 119.914 -0.462 0.000 2.409 352 V HA 0.580 4.698 4.120 -0.003 0.000 0.291 352 V C 0.645 176.217 176.094 -0.869 0.000 1.020 352 V CA -0.564 61.279 62.300 -0.761 0.000 0.848 352 V CB 1.602 32.645 31.823 -1.300 0.000 0.990 352 V HN 0.829 nan 8.190 nan 0.000 0.430 353 G N 2.509 110.709 108.800 -1.000 0.000 2.377 353 G HA2 0.457 4.415 3.960 -0.003 0.000 0.299 353 G HA3 0.457 4.415 3.960 -0.003 0.000 0.299 353 G C -0.389 174.154 174.900 -0.594 0.000 1.150 353 G CA -0.318 44.065 45.100 -1.195 0.000 0.847 353 G HN 0.693 nan 8.290 nan 0.000 0.501 354 E N 2.119 122.064 120.200 -0.424 0.000 2.001 354 E HA 0.362 4.710 4.350 -0.003 0.000 0.279 354 E C -0.727 175.851 176.600 -0.037 0.000 1.045 354 E CA -0.166 56.160 56.400 -0.124 0.000 0.833 354 E CB 0.370 30.090 29.700 0.033 0.000 1.077 354 E HN 0.319 nan 8.360 nan 0.000 0.397 355 I N 4.178 124.754 120.570 0.011 0.000 2.610 355 I HA 0.135 4.303 4.170 -0.003 0.000 0.289 355 I C -0.375 175.882 176.117 0.233 0.000 1.163 355 I CA -0.765 60.546 61.300 0.017 0.000 1.044 355 I CB 1.316 39.088 38.000 -0.380 0.000 1.251 355 I HN 0.622 nan 8.210 nan 0.000 0.424 356 W N 3.688 124.977 121.300 -0.018 0.000 2.942 356 W HA 0.077 4.735 4.660 -0.003 0.000 0.263 356 W C 1.395 178.014 176.519 0.168 0.000 1.296 356 W CA 0.087 57.469 57.345 0.063 0.000 1.504 356 W CB -0.224 29.138 29.460 -0.164 0.000 1.096 356 W HN 0.529 nan 8.180 nan 0.000 0.639 357 H N -1.648 117.607 119.070 0.308 0.000 2.994 357 H HA 0.197 4.751 4.556 -0.003 0.000 0.276 357 H C -0.229 175.282 175.328 0.304 0.000 1.575 357 H CA -0.819 55.389 56.048 0.267 0.000 1.583 357 H CB -0.479 29.411 29.762 0.214 0.000 1.735 357 H HN -0.292 nan 8.280 nan 0.000 0.901 358 D N 0.012 120.630 120.400 0.364 0.000 2.479 358 D HA 0.039 4.678 4.640 -0.003 0.000 0.257 358 D C 0.289 176.798 176.300 0.348 0.000 1.230 358 D CA 0.299 54.522 54.000 0.372 0.000 0.912 358 D CB 0.201 41.222 40.800 0.368 0.000 1.130 358 D HN 0.615 nan 8.370 nan 0.000 0.515 359 A N 3.139 126.184 122.820 0.374 0.000 2.460 359 A HA 0.059 4.377 4.320 -0.003 0.000 0.258 359 A C 1.924 179.674 177.584 0.277 0.000 1.300 359 A CA 0.342 52.575 52.037 0.327 0.000 0.913 359 A CB -0.204 18.817 19.000 0.035 0.000 1.031 359 A HN 0.554 nan 8.150 nan 0.000 0.512 360 S N -0.451 115.448 115.700 0.330 0.000 2.402 360 S HA -0.147 4.321 4.470 -0.003 0.000 0.233 360 S C 1.916 176.557 174.600 0.067 0.000 1.030 360 S CA 1.500 59.826 58.200 0.210 0.000 1.003 360 S CB -0.957 62.482 63.200 0.398 0.000 0.813 360 S HN 0.710 nan 8.310 nan 0.000 0.477 361 G N -0.173 108.632 108.800 0.008 0.000 2.498 361 G HA2 -0.111 3.847 3.960 -0.003 0.000 0.219 361 G HA3 -0.111 3.847 3.960 -0.003 0.000 0.219 361 G C 0.960 175.598 174.900 -0.438 0.000 1.119 361 G CA 0.465 45.362 45.100 -0.339 0.000 0.766 361 G HN 0.662 nan 8.290 nan 0.000 0.552 362 W N -0.449 120.764 121.300 -0.146 0.000 3.127 362 W HA 0.444 5.102 4.660 -0.003 0.000 0.344 362 W C 0.392 176.676 176.519 -0.392 0.000 1.151 362 W CA -0.318 56.800 57.345 -0.379 0.000 1.765 362 W CB 0.353 29.428 29.460 -0.642 0.000 1.085 362 W HN 0.049 nan 8.180 nan 0.000 0.596 363 L N 0.902 122.083 121.223 -0.070 0.000 3.168 363 L HA 0.199 4.538 4.340 -0.003 0.000 0.277 363 L C 1.282 178.124 176.870 -0.047 0.000 1.308 363 L CA -0.160 54.644 54.840 -0.060 0.000 0.976 363 L CB 0.076 42.030 42.059 -0.174 0.000 1.383 363 L HN -0.212 nan 8.230 nan 0.000 0.572 364 M N -0.463 119.000 119.600 -0.229 0.000 2.371 364 M HA 0.345 4.824 4.480 -0.003 0.000 0.246 364 M C 1.496 177.450 176.300 -0.577 0.000 1.103 364 M CA 0.542 55.708 55.300 -0.223 0.000 1.010 364 M CB 0.233 32.756 32.600 -0.129 0.000 1.457 364 M HN 0.429 nan 8.290 nan 0.000 0.486 365 G N 1.056 109.172 108.800 -1.141 0.000 2.255 365 G HA2 -0.196 3.763 3.960 -0.003 0.000 0.196 365 G HA3 -0.196 3.763 3.960 -0.003 0.000 0.196 365 G C 0.350 174.880 174.900 -0.617 0.000 0.998 365 G CA 0.343 44.564 45.100 -1.465 0.000 0.656 365 G HN 0.486 nan 8.290 nan 0.000 0.490 366 D N 0.007 120.186 120.400 -0.369 0.000 2.369 366 D HA 0.248 4.886 4.640 -0.003 0.000 0.211 366 D C 1.432 177.688 176.300 -0.072 0.000 1.077 366 D CA 0.770 54.670 54.000 -0.166 0.000 0.842 366 D CB 0.179 40.914 40.800 -0.108 0.000 0.947 366 D HN 0.553 nan 8.370 nan 0.000 0.509 367 Q N -0.992 118.736 119.800 -0.120 0.000 1.981 367 Q HA 0.273 4.611 4.340 -0.003 0.000 0.157 367 Q C -0.395 175.694 176.000 0.149 0.000 0.503 367 Q CA -0.467 55.332 55.803 -0.007 0.000 0.695 367 Q CB 0.531 29.128 28.738 -0.235 0.000 1.038 367 Q HN 0.029 nan 8.270 nan 0.000 0.388 368 F N 1.494 121.455 119.950 0.018 0.000 2.380 368 F HA 0.235 4.760 4.527 -0.003 0.000 0.321 368 F C 0.990 176.814 175.800 0.040 0.000 1.103 368 F CA -1.026 56.955 58.000 -0.031 0.000 1.067 368 F CB 0.232 39.144 39.000 -0.146 0.000 1.265 368 F HN 0.173 nan 8.300 nan 0.000 0.517 369 D N -0.840 119.706 120.400 0.244 0.000 2.277 369 D HA 0.042 4.681 4.640 -0.003 0.000 0.209 369 D C 0.759 177.105 176.300 0.077 0.000 0.970 369 D CA 0.887 55.022 54.000 0.224 0.000 0.874 369 D CB 0.751 41.582 40.800 0.052 0.000 0.982 369 D HN 0.354 nan 8.370 nan 0.000 0.504 370 S N -0.769 114.897 115.700 -0.057 0.000 2.727 370 S HA 0.586 5.055 4.470 -0.003 0.000 0.278 370 S C -1.815 172.627 174.600 -0.264 0.000 1.186 370 S CA -0.545 57.543 58.200 -0.186 0.000 0.836 370 S CB 1.352 64.353 63.200 -0.331 0.000 1.186 370 S HN -0.032 nan 8.310 nan 0.000 0.499 371 V N -0.676 119.065 119.914 -0.289 0.000 3.178 371 V HA 0.607 4.726 4.120 -0.003 0.000 0.302 371 V C -0.800 175.156 176.094 -0.231 0.000 1.262 371 V CA -1.100 61.025 62.300 -0.292 0.000 1.030 371 V CB 1.632 33.364 31.823 -0.152 0.000 1.074 371 V HN 0.955 nan 8.190 nan 0.000 0.438 372 M N 3.415 122.888 119.600 -0.212 0.000 2.364 372 M HA 0.223 4.701 4.480 -0.003 0.000 0.342 372 M C 0.427 176.642 176.300 -0.141 0.000 1.601 372 M CA 0.218 55.430 55.300 -0.147 0.000 1.156 372 M CB -0.218 32.283 32.600 -0.165 0.000 1.912 372 M HN 0.777 nan 8.290 nan 0.000 0.460 373 N N 2.970 121.606 118.700 -0.107 0.000 2.971 373 N HA -0.010 4.728 4.740 -0.003 0.000 0.294 373 N C 0.084 175.590 175.510 -0.006 0.000 1.210 373 N CA 0.340 53.393 53.050 0.005 0.000 1.157 373 N CB -0.123 38.392 38.487 0.046 0.000 1.450 373 N HN 0.478 nan 8.380 nan 0.000 0.527 374 Y N 0.500 120.780 120.300 -0.033 0.000 2.497 374 Y HA -0.049 4.500 4.550 -0.003 0.000 0.292 374 Y C 1.880 177.842 175.900 0.105 0.000 1.137 374 Y CA 0.620 58.683 58.100 -0.061 0.000 1.285 374 Y CB 0.240 38.541 38.460 -0.265 0.000 0.991 374 Y HN 0.424 nan 8.280 nan 0.000 0.556 375 L N -1.696 119.693 121.223 0.277 0.000 2.072 375 L HA -0.204 4.134 4.340 -0.003 0.000 0.205 375 L C 2.270 179.273 176.870 0.222 0.000 1.079 375 L CA 1.096 56.077 54.840 0.235 0.000 0.752 375 L CB -0.473 41.710 42.059 0.206 0.000 0.906 375 L HN 0.269 nan 8.230 nan 0.000 0.436 376 F N 0.740 120.743 119.950 0.088 0.000 2.134 376 F HA -0.236 4.289 4.527 -0.003 0.000 0.299 376 F C 2.732 178.602 175.800 0.116 0.000 1.097 376 F CA 1.635 59.692 58.000 0.095 0.000 1.264 376 F CB -0.300 38.756 39.000 0.093 0.000 1.001 376 F HN -0.115 nan 8.300 nan 0.000 0.479 377 R N 0.582 121.247 120.500 0.276 0.000 2.083 377 R HA -0.249 4.090 4.340 -0.003 0.000 0.237 377 R C 2.397 178.764 176.300 0.111 0.000 1.137 377 R CA 2.105 58.289 56.100 0.139 0.000 0.951 377 R CB -0.700 29.680 30.300 0.133 0.000 0.851 377 R HN 0.550 nan 8.270 nan 0.000 0.434 378 E N -0.225 120.066 120.200 0.152 0.000 2.070 378 E HA -0.192 4.157 4.350 -0.003 0.000 0.197 378 E C 1.786 178.446 176.600 0.100 0.000 1.004 378 E CA 1.920 58.407 56.400 0.145 0.000 0.805 378 E CB -0.002 29.793 29.700 0.159 0.000 0.744 378 E HN 0.344 nan 8.360 nan 0.000 0.451 379 S N 0.014 115.749 115.700 0.058 0.000 2.368 379 S HA -0.158 4.310 4.470 -0.003 0.000 0.224 379 S C 2.156 176.842 174.600 0.143 0.000 1.029 379 S CA 1.256 59.501 58.200 0.075 0.000 0.988 379 S CB -0.232 62.960 63.200 -0.014 0.000 0.838 379 S HN 0.461 nan 8.310 nan 0.000 0.462 380 V N 0.055 120.002 119.914 0.055 0.000 2.548 380 V HA -0.026 4.093 4.120 -0.003 0.000 0.249 380 V C 1.921 178.218 176.094 0.339 0.000 1.055 380 V CA 0.994 63.397 62.300 0.170 0.000 1.065 380 V CB -0.762 31.019 31.823 -0.069 0.000 0.681 380 V HN 0.296 nan 8.190 nan 0.000 0.462 381 I N 1.244 121.988 120.570 0.289 0.000 2.113 381 I HA -0.172 3.996 4.170 -0.003 0.000 0.238 381 I C 2.964 179.149 176.117 0.113 0.000 1.070 381 I CA 2.083 63.551 61.300 0.279 0.000 1.332 381 I CB -0.988 37.133 38.000 0.203 0.000 1.044 381 I HN 0.331 nan 8.210 nan 0.000 0.402 382 R N -0.732 119.814 120.500 0.077 0.000 2.189 382 R HA -0.175 4.164 4.340 -0.003 0.000 0.223 382 R C 2.064 178.349 176.300 -0.024 0.000 1.092 382 R CA 1.125 57.237 56.100 0.020 0.000 0.989 382 R CB -0.279 30.037 30.300 0.027 0.000 0.876 382 R HN 0.265 nan 8.270 nan 0.000 0.457 383 F N -0.659 119.109 119.950 -0.303 0.000 2.274 383 F HA 0.134 4.659 4.527 -0.003 0.000 0.288 383 F C 1.261 176.700 175.800 -0.601 0.000 1.069 383 F CA 0.786 58.401 58.000 -0.643 0.000 1.343 383 F CB 0.015 38.157 39.000 -1.431 0.000 1.089 383 F HN -0.187 nan 8.300 nan 0.000 0.517 384 F N -0.334 119.397 119.950 -0.364 0.000 2.446 384 F HA 0.265 4.790 4.527 -0.003 0.000 0.292 384 F C 2.270 177.950 175.800 -0.201 0.000 1.096 384 F CA 0.737 58.547 58.000 -0.318 0.000 1.438 384 F CB -0.844 38.118 39.000 -0.063 0.000 1.107 384 F HN 0.044 nan 8.300 nan 0.000 0.546 385 A N 0.278 123.100 122.820 0.003 0.000 1.864 385 A HA -0.049 4.269 4.320 -0.003 0.000 0.213 385 A C 2.182 179.686 177.584 -0.134 0.000 1.266 385 A CA 1.620 53.550 52.037 -0.177 0.000 0.612 385 A CB -1.329 17.454 19.000 -0.362 0.000 0.940 385 A HN 0.285 nan 8.150 nan 0.000 0.463 386 T N -3.536 110.960 114.554 -0.097 0.000 3.023 386 T HA 0.334 4.682 4.350 -0.003 0.000 0.266 386 T C 1.472 176.125 174.700 -0.078 0.000 1.093 386 T CA 1.264 63.318 62.100 -0.076 0.000 1.129 386 T CB -0.300 68.539 68.868 -0.048 0.000 0.899 386 T HN 1.842 nan 8.240 nan 0.000 0.491 387 G N 1.475 110.211 108.800 -0.107 0.000 2.168 387 G HA2 -0.337 3.622 3.960 -0.003 0.000 0.257 387 G HA3 -0.337 3.622 3.960 -0.003 0.000 0.257 387 G C 0.481 175.337 174.900 -0.073 0.000 0.997 387 G CA 0.606 45.634 45.100 -0.119 0.000 0.708 387 G HN 0.629 nan 8.290 nan 0.000 0.520 388 E N -0.367 119.799 120.200 -0.058 0.000 2.268 388 E HA 0.052 4.400 4.350 -0.003 0.000 0.195 388 E C 1.454 178.019 176.600 -0.059 0.000 0.995 388 E CA 1.098 57.471 56.400 -0.045 0.000 0.836 388 E CB -0.079 29.602 29.700 -0.031 0.000 0.763 388 E HN 0.914 nan 8.360 nan 0.000 0.491 389 I N -1.781 118.756 120.570 -0.055 0.000 2.934 389 I HA 0.396 4.564 4.170 -0.003 0.000 0.306 389 I C -0.404 175.712 176.117 -0.002 0.000 1.110 389 I CA -1.352 59.880 61.300 -0.114 0.000 1.019 389 I CB 1.619 39.551 38.000 -0.113 0.000 1.227 389 I HN -0.123 nan 8.210 nan 0.000 0.434 390 H N 3.160 122.274 119.070 0.074 0.000 2.530 390 H HA 0.743 5.297 4.556 -0.003 0.000 0.342 390 H C 1.048 176.442 175.328 0.109 0.000 1.312 390 H CA -0.327 55.796 56.048 0.125 0.000 1.376 390 H CB 0.383 30.180 29.762 0.058 0.000 1.692 390 H HN 0.733 nan 8.280 nan 0.000 0.622 391 A N 0.225 123.296 122.820 0.417 0.000 1.892 391 A HA -0.254 4.064 4.320 -0.003 0.000 0.218 391 A C 1.990 179.617 177.584 0.072 0.000 1.188 391 A CA 2.051 54.160 52.037 0.120 0.000 0.631 391 A CB -1.072 18.076 19.000 0.247 0.000 0.822 391 A HN 0.870 nan 8.150 nan 0.000 0.447 392 E N -1.132 119.201 120.200 0.221 0.000 2.110 392 E HA -0.206 4.142 4.350 -0.003 0.000 0.193 392 E C 2.263 178.927 176.600 0.106 0.000 0.988 392 E CA 1.256 57.740 56.400 0.139 0.000 0.804 392 E CB -0.158 29.590 29.700 0.080 0.000 0.745 392 E HN 0.667 nan 8.360 nan 0.000 0.458 393 R N 0.496 121.087 120.500 0.152 0.000 2.115 393 R HA -0.092 4.247 4.340 -0.003 0.000 0.226 393 R C 2.072 178.288 176.300 -0.139 0.000 1.100 393 R CA 0.725 56.785 56.100 -0.067 0.000 0.980 393 R CB -0.296 29.840 30.300 -0.273 0.000 0.875 393 R HN 0.172 nan 8.270 nan 0.000 0.445 394 F N 1.333 121.024 119.950 -0.432 0.000 2.102 394 F HA -0.256 4.269 4.527 -0.003 0.000 0.298 394 F C 1.995 177.393 175.800 -0.670 0.000 1.105 394 F CA 1.873 59.436 58.000 -0.728 0.000 1.239 394 F CB -0.239 37.859 39.000 -1.504 0.000 0.991 394 F HN 0.160 nan 8.300 nan 0.000 0.474 395 D N 0.622 120.629 120.400 -0.656 0.000 2.104 395 D HA -0.229 4.410 4.640 -0.003 0.000 0.194 395 D C 2.210 178.331 176.300 -0.298 0.000 0.994 395 D CA 1.648 55.323 54.000 -0.541 0.000 0.830 395 D CB -0.462 40.281 40.800 -0.095 0.000 0.959 395 D HN 0.353 nan 8.370 nan 0.000 0.452 396 A N 0.635 123.351 122.820 -0.173 0.000 1.877 396 A HA -0.202 4.117 4.320 -0.003 0.000 0.216 396 A C 2.177 179.696 177.584 -0.109 0.000 1.186 396 A CA 1.832 53.824 52.037 -0.076 0.000 0.620 396 A CB -0.683 18.302 19.000 -0.025 0.000 0.822 396 A HN 0.378 nan 8.150 nan 0.000 0.443 397 E N -0.645 119.448 120.200 -0.178 0.000 2.051 397 E HA -0.193 4.156 4.350 -0.003 0.000 0.192 397 E C 1.909 178.385 176.600 -0.205 0.000 0.991 397 E CA 1.136 57.440 56.400 -0.160 0.000 0.799 397 E CB -0.302 29.303 29.700 -0.159 0.000 0.748 397 E HN 0.398 nan 8.360 nan 0.000 0.449 398 L N 0.918 121.918 121.223 -0.373 0.000 2.012 398 L HA -0.180 4.158 4.340 -0.003 0.000 0.210 398 L C 2.459 179.246 176.870 -0.139 0.000 1.073 398 L CA 1.892 56.540 54.840 -0.321 0.000 0.748 398 L CB -1.187 40.520 42.059 -0.587 0.000 0.891 398 L HN 0.126 nan 8.230 nan 0.000 0.431 399 T N -0.926 113.544 114.554 -0.140 0.000 2.708 399 T HA -0.201 4.147 4.350 -0.003 0.000 0.266 399 T C 2.082 176.661 174.700 -0.202 0.000 1.037 399 T CA 1.147 63.177 62.100 -0.117 0.000 1.146 399 T CB -0.177 68.666 68.868 -0.043 0.000 0.865 399 T HN 0.180 nan 8.240 nan 0.000 0.435 400 R N 1.548 121.978 120.500 -0.116 0.000 2.081 400 R HA -0.006 4.332 4.340 -0.003 0.000 0.235 400 R C 2.498 178.707 176.300 -0.152 0.000 1.131 400 R CA 1.834 57.881 56.100 -0.089 0.000 0.960 400 R CB -0.852 29.482 30.300 0.056 0.000 0.856 400 R HN 0.402 nan 8.270 nan 0.000 0.436 401 A N 1.204 123.940 122.820 -0.139 0.000 1.930 401 A HA -0.161 4.157 4.320 -0.003 0.000 0.217 401 A C 2.295 179.701 177.584 -0.297 0.000 1.175 401 A CA 1.461 53.383 52.037 -0.191 0.000 0.627 401 A CB -0.556 18.382 19.000 -0.103 0.000 0.815 401 A HN 0.444 nan 8.150 nan 0.000 0.443 402 R N -1.129 119.246 120.500 -0.208 0.000 2.152 402 R HA -0.065 4.273 4.340 -0.003 0.000 0.232 402 R C 1.430 177.578 176.300 -0.254 0.000 1.117 402 R CA 1.591 57.573 56.100 -0.196 0.000 0.981 402 R CB -0.194 30.033 30.300 -0.122 0.000 0.870 402 R HN 0.370 nan 8.270 nan 0.000 0.451 403 M N 0.151 119.550 119.600 -0.336 0.000 2.595 403 M HA -0.000 4.478 4.480 -0.003 0.000 0.248 403 M C 1.262 177.438 176.300 -0.206 0.000 1.119 403 M CA 0.453 55.538 55.300 -0.360 0.000 1.079 403 M CB -0.104 32.069 32.600 -0.712 0.000 1.472 403 M HN 0.156 nan 8.290 nan 0.000 0.501 404 L N -1.111 119.964 121.223 -0.247 0.000 2.217 404 L HA -0.007 4.331 4.340 -0.003 0.000 0.211 404 L C 0.541 177.456 176.870 0.075 0.000 1.107 404 L CA 1.197 55.942 54.840 -0.159 0.000 0.783 404 L CB -0.633 41.169 42.059 -0.427 0.000 0.919 404 L HN 0.187 nan 8.230 nan 0.000 0.442 405 Y N -2.091 118.215 120.300 0.010 0.000 2.630 405 Y HA 0.462 5.010 4.550 -0.003 0.000 0.337 405 Y C -2.063 173.782 175.900 -0.092 0.000 1.051 405 Y CA -3.129 54.968 58.100 -0.006 0.000 1.121 405 Y CB 0.602 39.064 38.460 0.004 0.000 1.299 405 Y HN -0.271 nan 8.280 nan 0.000 0.498 406 P HA 0.010 nan 4.420 nan 0.000 0.274 406 P C 0.326 177.459 177.300 -0.280 0.000 1.231 406 P CA -0.088 62.693 63.100 -0.530 0.000 0.790 406 P CB 0.648 31.885 31.700 -0.772 0.000 0.951 407 E N 1.728 121.822 120.200 -0.175 0.000 2.130 407 E HA -0.321 4.027 4.350 -0.003 0.000 0.196 407 E C 0.985 177.449 176.600 -0.227 0.000 0.998 407 E CA 1.522 57.864 56.400 -0.095 0.000 0.806 407 E CB -0.576 29.142 29.700 0.029 0.000 0.738 407 E HN 0.406 nan 8.360 nan 0.000 0.459 408 Q N 0.865 120.433 119.800 -0.387 0.000 2.226 408 Q HA -0.059 4.279 4.340 -0.003 0.000 0.204 408 Q C 2.103 177.675 176.000 -0.712 0.000 0.975 408 Q CA 2.003 57.440 55.803 -0.611 0.000 0.866 408 Q CB -0.206 27.967 28.738 -0.942 0.000 0.915 408 Q HN 0.505 nan 8.270 nan 0.000 0.440 409 A N 0.417 122.877 122.820 -0.599 0.000 1.878 409 A HA 0.139 4.457 4.320 -0.003 0.000 0.213 409 A C 2.260 179.765 177.584 -0.132 0.000 1.192 409 A CA 1.072 52.918 52.037 -0.318 0.000 0.619 409 A CB -0.935 18.023 19.000 -0.070 0.000 0.837 409 A HN 0.346 nan 8.150 nan 0.000 0.446 410 A N -0.319 122.471 122.820 -0.050 0.000 1.917 410 A HA -0.271 4.047 4.320 -0.003 0.000 0.219 410 A C 2.186 179.702 177.584 -0.113 0.000 1.182 410 A CA 2.033 54.062 52.037 -0.014 0.000 0.633 410 A CB -0.604 18.372 19.000 -0.040 0.000 0.819 410 A HN 0.578 nan 8.150 nan 0.000 0.448 411 Q N 0.169 119.869 119.800 -0.166 0.000 2.291 411 Q HA -0.104 4.235 4.340 -0.003 0.000 0.206 411 Q C 1.411 177.307 176.000 -0.174 0.000 0.976 411 Q CA 1.908 57.601 55.803 -0.185 0.000 0.875 411 Q CB -0.490 28.134 28.738 -0.190 0.000 0.927 411 Q HN 0.516 nan 8.270 nan 0.000 0.450 412 G N 0.554 109.256 108.800 -0.163 0.000 3.519 412 G HA2 0.293 4.251 3.960 -0.003 0.000 0.269 412 G HA3 0.293 4.251 3.960 -0.003 0.000 0.269 412 G C 0.054 174.932 174.900 -0.037 0.000 1.028 412 G CA -0.494 44.533 45.100 -0.122 0.000 0.809 412 G HN 0.169 nan 8.290 nan 0.000 0.521 413 L N 0.870 122.068 121.223 -0.043 0.000 2.490 413 L HA 0.152 4.490 4.340 -0.003 0.000 0.274 413 L C 0.058 176.974 176.870 0.077 0.000 1.201 413 L CA -0.765 54.075 54.840 -0.000 0.000 0.869 413 L CB 0.562 42.636 42.059 0.024 0.000 1.123 413 L HN 0.139 nan 8.230 nan 0.000 0.484 414 W N 3.828 124.998 121.300 -0.218 0.000 2.581 414 W HA 0.118 4.776 4.660 -0.003 0.000 0.359 414 W C 0.111 176.421 176.519 -0.349 0.000 1.167 414 W CA -0.909 56.281 57.345 -0.257 0.000 1.517 414 W CB -0.730 28.590 29.460 -0.233 0.000 1.519 414 W HN 0.377 nan 8.180 nan 0.000 0.431 415 N N 5.102 123.591 118.700 -0.351 0.000 2.415 415 N HA 0.171 4.910 4.740 -0.003 0.000 0.250 415 N C -0.158 175.034 175.510 -0.529 0.000 1.127 415 N CA -0.112 52.437 53.050 -0.834 0.000 0.945 415 N CB 0.413 37.930 38.487 -1.617 0.000 1.196 415 N HN 0.372 nan 8.380 nan 0.000 0.499 416 L N -1.017 120.056 121.223 -0.250 0.000 2.332 416 L HA 0.581 4.920 4.340 -0.003 0.000 0.269 416 L C 0.375 177.268 176.870 0.038 0.000 1.016 416 L CA -0.858 53.906 54.840 -0.127 0.000 0.809 416 L CB 1.261 43.185 42.059 -0.226 0.000 1.280 416 L HN 0.215 nan 8.230 nan 0.000 0.447 417 L N -0.137 121.058 121.223 -0.047 0.000 2.515 417 L HA 0.293 4.631 4.340 -0.003 0.000 0.223 417 L C -0.432 176.463 176.870 0.042 0.000 1.079 417 L CA 0.163 54.913 54.840 -0.150 0.000 0.857 417 L CB -0.089 41.682 42.059 -0.479 0.000 1.050 417 L HN 0.905 nan 8.230 nan 0.000 0.476 418 D N -2.017 118.377 120.400 -0.009 0.000 2.792 418 D HA 0.466 5.104 4.640 -0.003 0.000 0.335 418 D C -0.611 175.547 176.300 -0.238 0.000 1.353 418 D CA -0.225 53.750 54.000 -0.042 0.000 0.839 418 D CB 1.015 41.839 40.800 0.041 0.000 1.396 418 D HN -0.067 nan 8.370 nan 0.000 0.479 419 S N -2.290 113.163 115.700 -0.412 0.000 2.724 419 S HA 0.321 4.789 4.470 -0.003 0.000 0.278 419 S C 0.286 174.468 174.600 -0.696 0.000 1.190 419 S CA -0.471 57.403 58.200 -0.544 0.000 0.860 419 S CB 0.368 63.524 63.200 -0.073 0.000 1.206 419 S HN 0.893 nan 8.310 nan 0.000 0.507 420 H N 0.146 119.020 119.070 -0.327 0.000 2.563 420 H HA 0.272 4.826 4.556 -0.003 0.000 0.272 420 H C -0.390 174.956 175.328 0.030 0.000 1.005 420 H CA 0.730 56.743 56.048 -0.057 0.000 1.171 420 H CB -0.551 29.333 29.762 0.204 0.000 1.351 420 H HN 0.559 nan 8.280 nan 0.000 0.602 421 D N 1.231 121.479 120.400 -0.253 0.000 2.440 421 D HA 0.079 4.717 4.640 -0.003 0.000 0.216 421 D C 0.603 176.951 176.300 0.081 0.000 1.150 421 D CA 0.379 54.342 54.000 -0.063 0.000 0.832 421 D CB 1.077 41.903 40.800 0.043 0.000 0.992 421 D HN 0.541 nan 8.370 nan 0.000 0.502 422 T N -2.403 112.165 114.554 0.023 0.000 2.812 422 T HA 0.419 4.767 4.350 -0.003 0.000 0.294 422 T C -0.232 174.483 174.700 0.026 0.000 1.159 422 T CA -0.964 61.178 62.100 0.070 0.000 1.008 422 T CB 2.585 71.523 68.868 0.118 0.000 1.289 422 T HN 0.001 nan 8.240 nan 0.000 0.514 423 E N 0.826 121.056 120.200 0.051 0.000 2.392 423 E HA 0.292 4.640 4.350 -0.003 0.000 0.259 423 E C -0.376 176.263 176.600 0.064 0.000 1.108 423 E CA -0.877 55.547 56.400 0.041 0.000 0.916 423 E CB 0.790 30.509 29.700 0.031 0.000 0.989 423 E HN 0.508 nan 8.360 nan 0.000 0.432 424 R N 1.025 121.571 120.500 0.076 0.000 2.543 424 R HA 0.044 4.382 4.340 -0.003 0.000 0.277 424 R C 0.677 177.096 176.300 0.198 0.000 1.074 424 R CA -0.236 55.953 56.100 0.148 0.000 1.076 424 R CB 0.246 30.619 30.300 0.121 0.000 0.993 424 R HN 0.621 nan 8.270 nan 0.000 0.459 425 F N 2.491 122.548 119.950 0.179 0.000 2.154 425 F HA -0.260 4.265 4.527 -0.002 0.000 0.301 425 F C 1.845 177.815 175.800 0.283 0.000 1.087 425 F CA 1.516 59.653 58.000 0.227 0.000 1.274 425 F CB -0.089 39.069 39.000 0.265 0.000 1.009 425 F HN 0.505 nan 8.300 nan 0.000 0.485 426 L N -0.096 121.338 121.223 0.352 0.000 2.042 426 L HA -0.205 4.133 4.340 -0.003 0.000 0.210 426 L C 2.238 179.076 176.870 -0.053 0.000 1.076 426 L CA 2.486 57.363 54.840 0.061 0.000 0.749 426 L CB -1.389 40.519 42.059 -0.251 0.000 0.893 426 L HN 0.131 nan 8.230 nan 0.000 0.432 427 T N -1.054 113.475 114.554 -0.041 0.000 2.821 427 T HA -0.122 4.226 4.350 -0.003 0.000 0.267 427 T C 1.948 176.586 174.700 -0.103 0.000 1.046 427 T CA 1.471 63.533 62.100 -0.063 0.000 1.139 427 T CB -0.282 68.566 68.868 -0.033 0.000 0.871 427 T HN 0.410 nan 8.240 nan 0.000 0.454 428 S N 0.640 116.249 115.700 -0.151 0.000 2.399 428 S HA -0.104 4.364 4.470 -0.003 0.000 0.231 428 S C 2.026 176.452 174.600 -0.289 0.000 1.022 428 S CA 0.766 58.826 58.200 -0.233 0.000 0.983 428 S CB -0.456 62.527 63.200 -0.362 0.000 0.803 428 S HN 0.575 nan 8.310 nan 0.000 0.480 429 C N 1.376 120.481 119.300 -0.324 0.000 2.573 429 C HA 0.414 4.872 4.460 -0.003 0.000 0.273 429 C C 1.881 176.781 174.990 -0.149 0.000 1.346 429 C CA -0.296 58.575 59.018 -0.245 0.000 1.702 429 C CB -1.630 25.999 27.740 -0.185 0.000 1.751 429 C HN 0.737 nan 8.230 nan 0.000 0.583 430 G N 0.503 109.227 108.800 -0.127 0.000 2.249 430 G HA2 0.027 3.985 3.960 -0.003 0.000 0.273 430 G HA3 0.027 3.985 3.960 -0.003 0.000 0.273 430 G C 0.980 175.827 174.900 -0.089 0.000 1.036 430 G CA 0.585 45.628 45.100 -0.094 0.000 0.824 430 G HN 1.471 nan 8.290 nan 0.000 0.504 431 G N -1.005 107.737 108.800 -0.096 0.000 2.179 431 G HA2 -0.340 3.619 3.960 -0.003 0.000 0.260 431 G HA3 -0.340 3.619 3.960 -0.003 0.000 0.260 431 G C 0.379 175.219 174.900 -0.100 0.000 0.977 431 G CA 0.791 45.833 45.100 -0.097 0.000 0.641 431 G HN 1.517 nan 8.290 nan 0.000 0.533 432 N N 1.185 119.823 118.700 -0.104 0.000 2.406 432 N HA 0.154 4.892 4.740 -0.003 0.000 0.265 432 N C 1.160 176.614 175.510 -0.092 0.000 1.203 432 N CA 0.585 53.560 53.050 -0.124 0.000 0.945 432 N CB 0.633 39.012 38.487 -0.181 0.000 1.165 432 N HN 0.605 nan 8.380 nan 0.000 0.485 433 E N 3.169 123.318 120.200 -0.084 0.000 2.204 433 E HA -0.128 4.221 4.350 -0.003 0.000 0.194 433 E C 1.345 177.938 176.600 -0.012 0.000 0.989 433 E CA 0.746 57.131 56.400 -0.025 0.000 0.824 433 E CB 0.180 29.846 29.700 -0.056 0.000 0.756 433 E HN 0.731 nan 8.360 nan 0.000 0.477 434 A N 1.303 124.041 122.820 -0.137 0.000 1.898 434 A HA -0.181 4.137 4.320 -0.003 0.000 0.216 434 A C 1.971 179.415 177.584 -0.233 0.000 1.181 434 A CA 1.411 53.328 52.037 -0.199 0.000 0.620 434 A CB -0.201 18.610 19.000 -0.315 0.000 0.819 434 A HN 0.109 nan 8.150 nan 0.000 0.442 435 K N -1.611 118.591 120.400 -0.329 0.000 2.062 435 K HA -0.029 4.289 4.320 -0.003 0.000 0.205 435 K C 1.784 178.424 176.600 0.067 0.000 1.051 435 K CA 1.326 57.510 56.287 -0.171 0.000 0.941 435 K CB -0.318 32.063 32.500 -0.198 0.000 0.719 435 K HN 0.476 nan 8.250 nan 0.000 0.440 436 F N 2.452 122.395 119.950 -0.012 0.000 2.095 436 F HA -0.204 4.321 4.527 -0.003 0.000 0.298 436 F C 2.189 178.043 175.800 0.089 0.000 1.104 436 F CA 1.507 59.596 58.000 0.148 0.000 1.232 436 F CB 0.044 39.119 39.000 0.126 0.000 0.987 436 F HN -0.134 nan 8.300 nan 0.000 0.475 437 R N 0.136 120.737 120.500 0.168 0.000 2.081 437 R HA -0.160 4.178 4.340 -0.003 0.000 0.235 437 R C 2.409 178.731 176.300 0.036 0.000 1.131 437 R CA 1.596 57.727 56.100 0.053 0.000 0.960 437 R CB -0.800 29.365 30.300 -0.224 0.000 0.856 437 R HN 0.399 nan 8.270 nan 0.000 0.436 438 L N 0.351 121.574 121.223 -0.001 0.000 2.046 438 L HA -0.182 4.157 4.340 -0.003 0.000 0.208 438 L C 2.475 179.140 176.870 -0.341 0.000 1.077 438 L CA 1.390 56.242 54.840 0.020 0.000 0.747 438 L CB -0.467 41.717 42.059 0.207 0.000 0.896 438 L HN 0.249 nan 8.230 nan 0.000 0.432 439 A N -0.852 121.534 122.820 -0.724 0.000 1.902 439 A HA -0.171 4.148 4.320 -0.003 0.000 0.217 439 A C 2.183 179.453 177.584 -0.524 0.000 1.181 439 A CA 1.803 53.165 52.037 -1.125 0.000 0.623 439 A CB -0.758 17.782 19.000 -0.767 0.000 0.818 439 A HN 0.291 nan 8.150 nan 0.000 0.443 440 V N -0.251 119.397 119.914 -0.444 0.000 2.427 440 V HA -0.213 3.905 4.120 -0.003 0.000 0.248 440 V C 2.467 178.436 176.094 -0.208 0.000 1.051 440 V CA 1.751 63.821 62.300 -0.384 0.000 1.048 440 V CB -0.667 30.849 31.823 -0.511 0.000 0.666 440 V HN 0.638 nan 8.190 nan 0.000 0.456 441 L N -0.798 120.403 121.223 -0.037 0.000 2.046 441 L HA -0.214 4.124 4.340 -0.003 0.000 0.208 441 L C 2.294 179.254 176.870 0.150 0.000 1.077 441 L CA 2.037 56.907 54.840 0.050 0.000 0.747 441 L CB -0.344 41.856 42.059 0.234 0.000 0.896 441 L HN 0.386 nan 8.230 nan 0.000 0.432 442 F N 0.266 120.256 119.950 0.067 0.000 2.102 442 F HA -0.299 4.226 4.527 -0.003 0.000 0.298 442 F C 2.676 178.628 175.800 0.253 0.000 1.105 442 F CA 2.056 60.212 58.000 0.260 0.000 1.239 442 F CB -0.266 38.884 39.000 0.249 0.000 0.991 442 F HN 0.194 nan 8.300 nan 0.000 0.474 443 Q N -0.190 119.653 119.800 0.072 0.000 2.135 443 Q HA -0.226 4.112 4.340 -0.003 0.000 0.204 443 Q C 1.892 177.832 176.000 -0.100 0.000 0.981 443 Q CA 1.780 57.603 55.803 0.034 0.000 0.856 443 Q CB -0.098 28.657 28.738 0.028 0.000 0.902 443 Q HN 0.382 nan 8.270 nan 0.000 0.425 444 M N -0.037 119.504 119.600 -0.100 0.000 2.558 444 M HA -0.007 4.471 4.480 -0.003 0.000 0.255 444 M C 1.575 177.852 176.300 -0.040 0.000 1.113 444 M CA 1.290 56.527 55.300 -0.105 0.000 1.097 444 M CB -0.104 32.391 32.600 -0.176 0.000 1.426 444 M HN 0.345 nan 8.290 nan 0.000 0.488 445 T N -4.475 110.103 114.554 0.041 0.000 2.975 445 T HA 0.101 4.449 4.350 -0.003 0.000 0.257 445 T C 0.340 175.196 174.700 0.260 0.000 1.003 445 T CA -0.341 61.856 62.100 0.161 0.000 0.932 445 T CB -0.078 68.949 68.868 0.265 0.000 1.087 445 T HN 0.103 nan 8.240 nan 0.000 0.512 446 Y N 2.007 122.225 120.300 -0.137 0.000 2.298 446 Y HA 0.556 5.104 4.550 -0.003 0.000 0.329 446 Y C 0.156 175.925 175.900 -0.218 0.000 1.293 446 Y CA -2.448 55.440 58.100 -0.354 0.000 1.388 446 Y CB 0.558 38.473 38.460 -0.907 0.000 1.309 446 Y HN 0.137 nan 8.280 nan 0.000 0.544 447 L N 3.879 124.455 121.223 -1.079 0.000 2.477 447 L HA 0.450 4.788 4.340 -0.003 0.000 0.272 447 L C 0.199 176.754 176.870 -0.525 0.000 1.157 447 L CA 1.448 55.852 54.840 -0.727 0.000 0.889 447 L CB -0.677 40.912 42.059 -0.783 0.000 1.158 447 L HN 0.841 nan 8.230 nan 0.000 0.473 448 G N 2.693 111.305 108.800 -0.313 0.000 2.359 448 G HA2 0.057 4.015 3.960 -0.003 0.000 0.303 448 G HA3 0.057 4.015 3.960 -0.003 0.000 0.303 448 G C -0.971 173.806 174.900 -0.206 0.000 1.293 448 G CA -0.487 44.471 45.100 -0.238 0.000 0.964 448 G HN 0.583 nan 8.290 nan 0.000 0.531 449 T N 3.013 117.465 114.554 -0.169 0.000 2.756 449 T HA 0.616 4.964 4.350 -0.003 0.000 0.290 449 T C -2.579 171.957 174.700 -0.273 0.000 0.985 449 T CA -0.761 61.235 62.100 -0.174 0.000 0.955 449 T CB 1.766 70.590 68.868 -0.073 0.000 0.930 449 T HN 0.371 nan 8.240 nan 0.000 0.451 450 P HA 0.150 nan 4.420 nan 0.000 0.267 450 P C -0.782 176.337 177.300 -0.301 0.000 1.205 450 P CA -0.450 62.497 63.100 -0.255 0.000 0.765 450 P CB 0.515 32.120 31.700 -0.158 0.000 0.828 451 L N 5.544 126.589 121.223 -0.297 0.000 2.343 451 L HA 0.484 4.822 4.340 -0.003 0.000 0.278 451 L C -0.863 175.925 176.870 -0.137 0.000 0.996 451 L CA -0.701 53.951 54.840 -0.314 0.000 0.831 451 L CB 0.690 42.534 42.059 -0.357 0.000 1.232 451 L HN 0.324 nan 8.230 nan 0.000 0.413 452 I N 4.855 125.369 120.570 -0.094 0.000 2.353 452 I HA 0.177 4.345 4.170 -0.003 0.000 0.293 452 I C -0.835 175.191 176.117 -0.152 0.000 0.992 452 I CA -0.707 60.574 61.300 -0.032 0.000 1.268 452 I CB 1.456 39.486 38.000 0.051 0.000 1.387 452 I HN 0.467 nan 8.210 nan 0.000 0.478 453 Y N 8.079 128.261 120.300 -0.196 0.000 2.365 453 Y HA 0.188 4.737 4.550 -0.003 0.000 0.340 453 Y C -0.013 175.664 175.900 -0.370 0.000 1.016 453 Y CA -1.419 56.546 58.100 -0.224 0.000 1.196 453 Y CB 0.265 38.665 38.460 -0.100 0.000 1.167 453 Y HN 0.457 nan 8.280 nan 0.000 0.509 454 Y N 4.838 124.620 120.300 -0.863 0.000 2.944 454 Y HA 0.259 4.807 4.550 -0.003 0.000 0.340 454 Y C 1.046 176.709 175.900 -0.395 0.000 1.275 454 Y CA 0.344 58.056 58.100 -0.646 0.000 1.590 454 Y CB -0.167 38.081 38.460 -0.354 0.000 1.218 454 Y HN 0.943 nan 8.280 nan 0.000 0.576 455 G N 2.993 111.683 108.800 -0.184 0.000 2.284 455 G HA2 -0.357 3.602 3.960 -0.003 0.000 0.230 455 G HA3 -0.357 3.602 3.960 -0.003 0.000 0.230 455 G C 0.739 175.530 174.900 -0.182 0.000 1.021 455 G CA 0.316 45.264 45.100 -0.252 0.000 0.619 455 G HN 0.609 nan 8.290 nan 0.000 0.510 456 D N 1.292 121.604 120.400 -0.147 0.000 2.178 456 D HA -0.028 4.611 4.640 -0.003 0.000 0.201 456 D C 2.465 178.799 176.300 0.056 0.000 0.980 456 D CA 1.422 55.457 54.000 0.058 0.000 0.842 456 D CB -0.113 40.860 40.800 0.289 0.000 0.948 456 D HN 0.725 nan 8.370 nan 0.000 0.472 457 E N 1.175 121.272 120.200 -0.172 0.000 2.338 457 E HA -0.155 4.193 4.350 -0.003 0.000 0.197 457 E C 1.514 178.152 176.600 0.065 0.000 1.007 457 E CA 0.656 56.794 56.400 -0.436 0.000 0.849 457 E CB -0.386 29.007 29.700 -0.512 0.000 0.774 457 E HN 0.505 nan 8.360 nan 0.000 0.506 458 I N -3.942 116.671 120.570 0.071 0.000 3.707 458 I HA 0.578 4.746 4.170 -0.003 0.000 0.330 458 I C 0.883 176.990 176.117 -0.017 0.000 1.572 458 I CA -0.168 61.177 61.300 0.075 0.000 1.104 458 I CB 0.712 38.725 38.000 0.022 0.000 1.240 458 I HN 0.033 nan 8.210 nan 0.000 0.475 459 G N 1.636 110.398 108.800 -0.064 0.000 2.143 459 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.249 459 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.249 459 G C 0.177 174.971 174.900 -0.177 0.000 0.981 459 G CA -0.025 44.979 45.100 -0.160 0.000 0.665 459 G HN 0.429 nan 8.290 nan 0.000 0.528 460 M N 0.594 120.096 119.600 -0.164 0.000 2.248 460 M HA 0.471 4.949 4.480 -0.003 0.000 0.337 460 M C 0.745 176.955 176.300 -0.149 0.000 1.121 460 M CA 1.135 56.334 55.300 -0.168 0.000 1.155 460 M CB 0.945 33.414 32.600 -0.218 0.000 1.514 460 M HN 0.618 nan 8.290 nan 0.000 0.452 461 A N 1.649 124.395 122.820 -0.124 0.000 2.483 461 A HA 1.041 5.359 4.320 -0.003 0.000 0.286 461 A C -0.371 177.174 177.584 -0.066 0.000 1.207 461 A CA -0.172 51.813 52.037 -0.088 0.000 0.764 461 A CB 1.905 20.849 19.000 -0.094 0.000 1.341 461 A HN 0.956 nan 8.150 nan 0.000 0.428 462 G N -2.043 106.734 108.800 -0.038 0.000 2.358 462 G HA2 0.625 4.583 3.960 -0.003 0.000 0.303 462 G HA3 0.625 4.583 3.960 -0.003 0.000 0.303 462 G C -0.393 174.503 174.900 -0.007 0.000 1.537 462 G CA 0.195 45.278 45.100 -0.028 0.000 0.928 462 G HN 1.893 nan 8.290 nan 0.000 0.656 463 A N 0.207 123.023 122.820 -0.007 0.000 2.251 463 A HA 0.870 5.188 4.320 -0.003 0.000 0.278 463 A C 1.215 178.807 177.584 0.014 0.000 1.206 463 A CA 0.862 52.900 52.037 0.002 0.000 0.822 463 A CB 0.317 19.317 19.000 -0.001 0.000 1.187 463 A HN 1.766 nan 8.150 nan 0.000 0.504 464 T N -0.796 113.769 114.554 0.019 0.000 2.667 464 T HA 0.195 4.543 4.350 -0.003 0.000 0.305 464 T C 0.227 174.945 174.700 0.030 0.000 1.022 464 T CA 0.217 62.333 62.100 0.027 0.000 0.995 464 T CB -0.021 68.866 68.868 0.032 0.000 1.026 464 T HN 0.728 nan 8.240 nan 0.000 0.527 465 D N 1.430 121.853 120.400 0.037 0.000 2.752 465 D HA -0.039 4.600 4.640 -0.003 0.000 0.225 465 D C -1.259 175.081 176.300 0.067 0.000 1.104 465 D CA -0.924 53.112 54.000 0.059 0.000 0.832 465 D CB 0.810 41.651 40.800 0.068 0.000 1.161 465 D HN 0.321 nan 8.370 nan 0.000 0.505 466 P HA 0.077 nan 4.420 nan 0.000 0.261 466 P C 0.427 177.740 177.300 0.021 0.000 1.268 466 P CA -0.060 63.082 63.100 0.070 0.000 0.833 466 P CB 0.501 32.253 31.700 0.086 0.000 1.231 467 D N 0.454 120.864 120.400 0.018 0.000 2.350 467 D HA -0.109 4.529 4.640 -0.003 0.000 0.216 467 D C 1.466 177.759 176.300 -0.011 0.000 0.968 467 D CA 0.736 54.733 54.000 -0.005 0.000 0.894 467 D CB -0.403 40.395 40.800 -0.002 0.000 0.909 467 D HN 0.222 nan 8.370 nan 0.000 0.520 468 C N -1.083 118.227 119.300 0.017 0.000 2.626 468 C HA 0.374 4.832 4.460 -0.003 0.000 0.266 468 C C 1.323 176.366 174.990 0.088 0.000 1.317 468 C CA -0.688 58.368 59.018 0.063 0.000 1.716 468 C CB -1.176 26.614 27.740 0.083 0.000 1.819 468 C HN 0.014 nan 8.230 nan 0.000 0.578 469 R N 1.214 121.712 120.500 -0.003 0.000 2.791 469 R HA 0.255 4.593 4.340 -0.003 0.000 0.357 469 R C -0.023 176.222 176.300 -0.092 0.000 1.173 469 R CA -0.217 55.856 56.100 -0.044 0.000 1.060 469 R CB 0.054 30.191 30.300 -0.271 0.000 1.406 469 R HN 0.590 nan 8.270 nan 0.000 0.580 470 R N 1.108 121.524 120.500 -0.140 0.000 2.641 470 R HA 0.177 4.516 4.340 -0.003 0.000 0.269 470 R C -2.384 173.667 176.300 -0.415 0.000 1.074 470 R CA -1.974 53.930 56.100 -0.327 0.000 1.133 470 R CB -0.191 29.955 30.300 -0.258 0.000 1.029 470 R HN -0.130 nan 8.270 nan 0.000 0.488 471 P HA -0.094 nan 4.420 nan 0.000 0.262 471 P C -0.175 176.818 177.300 -0.512 0.000 1.182 471 P CA 0.056 62.454 63.100 -1.170 0.000 0.761 471 P CB 0.354 30.903 31.700 -1.919 0.000 0.795 472 M N 5.021 124.540 119.600 -0.135 0.000 2.261 472 M HA 0.024 4.502 4.480 -0.003 0.000 0.350 472 M C -0.602 175.531 176.300 -0.279 0.000 1.343 472 M CA 0.728 55.938 55.300 -0.150 0.000 1.003 472 M CB -0.563 31.833 32.600 -0.340 0.000 1.848 472 M HN 0.213 nan 8.290 nan 0.000 0.456 473 I N 6.657 127.005 120.570 -0.369 0.000 2.363 473 I HA -0.002 4.167 4.170 -0.003 0.000 0.292 473 I C -0.245 175.634 176.117 -0.398 0.000 1.075 473 I CA 0.315 61.468 61.300 -0.245 0.000 1.333 473 I CB 0.323 38.218 38.000 -0.174 0.000 1.415 473 I HN 0.913 nan 8.210 nan 0.000 0.502 474 W N 2.865 124.137 121.300 -0.047 0.000 2.907 474 W HA 0.117 4.775 4.660 -0.003 0.000 0.271 474 W C 0.871 177.306 176.519 -0.140 0.000 1.253 474 W CA -0.441 56.797 57.345 -0.178 0.000 1.501 474 W CB 0.513 29.831 29.460 -0.237 0.000 1.047 474 W HN 0.322 nan 8.180 nan 0.000 0.610 475 E N 2.255 122.529 120.200 0.122 0.000 2.491 475 E HA -0.095 4.254 4.350 -0.003 0.000 0.250 475 E C 1.151 177.766 176.600 0.024 0.000 1.061 475 E CA 0.497 56.934 56.400 0.061 0.000 0.942 475 E CB 0.591 30.320 29.700 0.049 0.000 0.957 475 E HN 0.284 nan 8.360 nan 0.000 0.480 476 E N 3.228 123.438 120.200 0.018 0.000 2.068 476 E HA -0.282 4.066 4.350 -0.003 0.000 0.207 476 E C 1.620 178.220 176.600 0.000 0.000 1.032 476 E CA 1.550 57.952 56.400 0.003 0.000 0.839 476 E CB -0.020 29.682 29.700 0.003 0.000 0.758 476 E HN 0.428 nan 8.360 nan 0.000 0.457 477 K N 0.702 121.105 120.400 0.005 0.000 2.360 477 K HA -0.143 4.175 4.320 -0.003 0.000 0.201 477 K C 1.436 178.036 176.600 -0.000 0.000 1.046 477 K CA 1.103 57.392 56.287 0.005 0.000 0.945 477 K CB 0.116 32.620 32.500 0.007 0.000 0.750 477 K HN 0.121 nan 8.250 nan 0.000 0.464 478 E N -0.120 120.077 120.200 -0.005 0.000 2.472 478 E HA 0.006 4.354 4.350 -0.003 0.000 0.196 478 E C -0.236 176.345 176.600 -0.031 0.000 1.033 478 E CA -0.034 56.356 56.400 -0.016 0.000 0.886 478 E CB 0.559 30.251 29.700 -0.012 0.000 0.944 478 E HN 0.370 nan 8.360 nan 0.000 0.492 479 Q N 1.099 120.881 119.800 -0.031 0.000 2.230 479 Q HA 0.192 4.530 4.340 -0.003 0.000 0.248 479 Q C -0.130 175.867 176.000 -0.005 0.000 0.915 479 Q CA -0.526 55.254 55.803 -0.039 0.000 0.900 479 Q CB 0.881 29.581 28.738 -0.063 0.000 1.229 479 Q HN -0.094 nan 8.270 nan 0.000 0.439 480 N N 2.082 120.790 118.700 0.014 0.000 2.663 480 N HA 0.012 4.751 4.740 -0.003 0.000 0.250 480 N C 0.264 175.848 175.510 0.123 0.000 1.129 480 N CA 0.038 53.118 53.050 0.050 0.000 0.995 480 N CB 0.351 38.861 38.487 0.037 0.000 1.324 480 N HN 0.452 nan 8.380 nan 0.000 0.512 481 R N 1.656 122.224 120.500 0.113 0.000 2.193 481 R HA -0.034 4.304 4.340 -0.003 0.000 0.229 481 R C 1.725 178.171 176.300 0.244 0.000 1.110 481 R CA 0.887 57.097 56.100 0.184 0.000 0.988 481 R CB -0.827 29.546 30.300 0.121 0.000 0.871 481 R HN 0.524 nan 8.270 nan 0.000 0.458 482 G N 1.238 110.143 108.800 0.175 0.000 2.418 482 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.217 482 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.217 482 G C 1.426 176.472 174.900 0.244 0.000 1.158 482 G CA 0.276 45.477 45.100 0.170 0.000 0.771 482 G HN 0.229 nan 8.290 nan 0.000 0.545 483 L N -0.331 121.054 121.223 0.269 0.000 2.056 483 L HA 0.211 4.549 4.340 -0.003 0.000 0.207 483 L C 2.445 179.639 176.870 0.540 0.000 1.078 483 L CA 1.388 56.471 54.840 0.405 0.000 0.749 483 L CB -0.724 41.544 42.059 0.349 0.000 0.901 483 L HN 0.260 nan 8.230 nan 0.000 0.433 484 F N 0.344 120.449 119.950 0.257 0.000 2.091 484 F HA -0.257 4.268 4.527 -0.003 0.000 0.299 484 F C 2.385 178.311 175.800 0.210 0.000 1.103 484 F CA 1.874 59.989 58.000 0.193 0.000 1.228 484 F CB 0.007 39.083 39.000 0.126 0.000 0.984 484 F HN 0.145 nan 8.300 nan 0.000 0.477 485 E N -0.144 120.213 120.200 0.261 0.000 2.204 485 E HA -0.231 4.117 4.350 -0.003 0.000 0.194 485 E C 2.037 178.724 176.600 0.144 0.000 0.989 485 E CA 1.115 57.591 56.400 0.126 0.000 0.824 485 E CB -0.736 29.072 29.700 0.180 0.000 0.756 485 E HN 0.584 nan 8.360 nan 0.000 0.477 486 F N 0.105 120.113 119.950 0.095 0.000 2.113 486 F HA -0.254 4.271 4.527 -0.003 0.000 0.297 486 F C 2.128 177.944 175.800 0.027 0.000 1.103 486 F CA 1.167 59.206 58.000 0.065 0.000 1.248 486 F CB -0.169 38.893 39.000 0.102 0.000 0.999 486 F HN -0.062 nan 8.300 nan 0.000 0.475 487 Y N 1.080 121.330 120.300 -0.084 0.000 2.145 487 Y HA -0.239 4.310 4.550 -0.003 0.000 0.286 487 Y C 2.438 178.149 175.900 -0.315 0.000 1.145 487 Y CA 2.054 60.016 58.100 -0.229 0.000 1.148 487 Y CB -0.520 37.874 38.460 -0.109 0.000 0.981 487 Y HN -0.034 nan 8.280 nan 0.000 0.507 488 K N -0.109 120.177 120.400 -0.189 0.000 2.063 488 K HA -0.270 4.048 4.320 -0.003 0.000 0.208 488 K C 2.096 178.566 176.600 -0.217 0.000 1.048 488 K CA 1.871 57.991 56.287 -0.279 0.000 0.928 488 K CB -0.199 32.087 32.500 -0.357 0.000 0.713 488 K HN 0.383 nan 8.250 nan 0.000 0.442 489 E N 0.972 121.063 120.200 -0.181 0.000 2.047 489 E HA -0.167 4.181 4.350 -0.003 0.000 0.191 489 E C 1.991 178.464 176.600 -0.210 0.000 0.987 489 E CA 0.809 57.112 56.400 -0.162 0.000 0.799 489 E CB 0.032 29.673 29.700 -0.098 0.000 0.752 489 E HN 0.205 nan 8.360 nan 0.000 0.449 490 L N 0.882 121.917 121.223 -0.314 0.000 2.046 490 L HA -0.209 4.129 4.340 -0.003 0.000 0.208 490 L C 2.480 179.230 176.870 -0.200 0.000 1.077 490 L CA 0.534 55.189 54.840 -0.308 0.000 0.747 490 L CB -0.408 41.355 42.059 -0.492 0.000 0.896 490 L HN 0.297 nan 8.230 nan 0.000 0.432 491 I N -0.129 120.319 120.570 -0.202 0.000 2.226 491 I HA -0.261 3.907 4.170 -0.003 0.000 0.245 491 I C 2.675 178.618 176.117 -0.289 0.000 1.100 491 I CA 1.526 62.717 61.300 -0.182 0.000 1.374 491 I CB -1.130 36.735 38.000 -0.224 0.000 1.057 491 I HN 0.283 nan 8.210 nan 0.000 0.413 492 R N 0.360 120.687 120.500 -0.288 0.000 2.081 492 R HA -0.103 4.235 4.340 -0.003 0.000 0.235 492 R C 2.425 178.643 176.300 -0.136 0.000 1.131 492 R CA 1.079 57.021 56.100 -0.264 0.000 0.960 492 R CB -0.293 29.890 30.300 -0.195 0.000 0.856 492 R HN 0.312 nan 8.270 nan 0.000 0.436 493 L N 0.003 121.157 121.223 -0.116 0.000 2.046 493 L HA -0.185 4.153 4.340 -0.003 0.000 0.208 493 L C 2.744 179.589 176.870 -0.042 0.000 1.077 493 L CA 1.267 56.052 54.840 -0.092 0.000 0.747 493 L CB -0.372 41.630 42.059 -0.096 0.000 0.896 493 L HN 0.198 nan 8.230 nan 0.000 0.432 494 R N -0.667 119.844 120.500 0.018 0.000 2.105 494 R HA -0.205 4.133 4.340 -0.003 0.000 0.239 494 R C 2.229 178.588 176.300 0.100 0.000 1.135 494 R CA 1.674 57.814 56.100 0.067 0.000 0.967 494 R CB -0.129 30.237 30.300 0.110 0.000 0.861 494 R HN 0.411 nan 8.270 nan 0.000 0.442 495 H N -0.720 118.294 119.070 -0.093 0.000 2.502 495 H HA 0.085 4.639 4.556 -0.003 0.000 0.283 495 H C 1.729 176.997 175.328 -0.099 0.000 1.015 495 H CA 0.976 56.975 56.048 -0.083 0.000 1.298 495 H CB 0.161 29.880 29.762 -0.073 0.000 1.411 495 H HN 0.202 nan 8.280 nan 0.000 0.556 496 R N -0.089 120.411 120.500 -0.001 0.000 2.173 496 R HA 0.184 4.522 4.340 -0.003 0.000 0.208 496 R C -0.096 176.102 176.300 -0.170 0.000 1.035 496 R CA 0.292 56.331 56.100 -0.101 0.000 1.004 496 R CB 0.420 30.629 30.300 -0.152 0.000 0.917 496 R HN 0.143 nan 8.270 nan 0.000 0.462 497 L N 0.919 122.051 121.223 -0.152 0.000 2.283 497 L HA 0.333 4.672 4.340 -0.003 0.000 0.281 497 L C 1.118 177.935 176.870 -0.089 0.000 1.033 497 L CA -0.534 54.204 54.840 -0.170 0.000 0.848 497 L CB 1.650 43.607 42.059 -0.170 0.000 1.226 497 L HN 0.053 nan 8.230 nan 0.000 0.429 498 A N 2.020 124.796 122.820 -0.073 0.000 1.958 498 A HA -0.235 4.084 4.320 -0.003 0.000 0.221 498 A C 2.351 179.913 177.584 -0.037 0.000 1.178 498 A CA 2.332 54.338 52.037 -0.051 0.000 0.642 498 A CB -0.440 18.538 19.000 -0.036 0.000 0.816 498 A HN 0.804 nan 8.150 nan 0.000 0.453 499 S N -0.228 115.465 115.700 -0.011 0.000 2.447 499 S HA -0.018 4.450 4.470 -0.003 0.000 0.233 499 S C 1.662 176.262 174.600 -0.000 0.000 1.006 499 S CA 1.272 59.477 58.200 0.008 0.000 0.957 499 S CB -0.619 62.612 63.200 0.053 0.000 0.773 499 S HN 0.487 nan 8.310 nan 0.000 0.507 500 L N 1.688 122.904 121.223 -0.012 0.000 2.395 500 L HA 0.036 4.374 4.340 -0.003 0.000 0.218 500 L C 2.610 179.446 176.870 -0.058 0.000 1.130 500 L CA 1.370 56.202 54.840 -0.013 0.000 0.826 500 L CB -0.688 41.364 42.059 -0.011 0.000 0.941 500 L HN 0.661 nan 8.230 nan 0.000 0.451 501 T N -5.129 109.378 114.554 -0.078 0.000 2.955 501 T HA 0.133 4.481 4.350 -0.003 0.000 0.251 501 T C 1.603 176.239 174.700 -0.107 0.000 1.002 501 T CA -0.319 61.715 62.100 -0.110 0.000 0.970 501 T CB 0.306 69.093 68.868 -0.136 0.000 1.091 501 T HN 0.166 nan 8.240 nan 0.000 0.495 502 R N 0.650 121.100 120.500 -0.083 0.000 2.549 502 R HA 0.422 4.760 4.340 -0.003 0.000 0.344 502 R C 0.943 177.206 176.300 -0.061 0.000 0.979 502 R CA -0.237 55.816 56.100 -0.078 0.000 1.140 502 R CB 1.193 31.452 30.300 -0.068 0.000 1.377 502 R HN 0.394 nan 8.270 nan 0.000 0.541 503 G N 0.710 109.481 108.800 -0.049 0.000 2.502 503 G HA2 0.149 4.107 3.960 -0.003 0.000 0.305 503 G HA3 0.149 4.107 3.960 -0.003 0.000 0.305 503 G C -0.262 174.614 174.900 -0.040 0.000 1.190 503 G CA -0.703 44.382 45.100 -0.024 0.000 0.933 503 G HN 0.303 nan 8.290 nan 0.000 0.503 504 N N -2.608 116.081 118.700 -0.017 0.000 2.431 504 N HA 0.553 5.291 4.740 -0.003 0.000 0.289 504 N C -0.576 174.928 175.510 -0.011 0.000 1.277 504 N CA -0.662 52.369 53.050 -0.032 0.000 0.972 504 N CB 1.484 39.963 38.487 -0.013 0.000 1.143 504 N HN 0.549 nan 8.380 nan 0.000 0.578 505 V N -3.792 116.114 119.914 -0.013 0.000 2.760 505 V HA 0.697 4.816 4.120 -0.003 0.000 0.309 505 V C -1.095 175.053 176.094 0.090 0.000 1.077 505 V CA -1.009 61.325 62.300 0.057 0.000 0.910 505 V CB 1.753 33.551 31.823 -0.040 0.000 1.008 505 V HN 0.691 nan 8.190 nan 0.000 0.424 506 R N 1.993 122.588 120.500 0.158 0.000 2.604 506 R HA 0.587 4.925 4.340 -0.003 0.000 0.281 506 R C -0.628 175.806 176.300 0.224 0.000 1.020 506 R CA -0.567 55.615 56.100 0.136 0.000 0.899 506 R CB 2.250 32.586 30.300 0.060 0.000 1.205 506 R HN 0.885 nan 8.270 nan 0.000 0.450 507 S N 1.608 117.445 115.700 0.228 0.000 2.549 507 S HA 0.069 4.537 4.470 -0.003 0.000 0.279 507 S C 0.285 175.036 174.600 0.252 0.000 1.321 507 S CA -0.371 57.992 58.200 0.272 0.000 1.054 507 S CB 0.736 64.103 63.200 0.277 0.000 0.899 507 S HN 0.643 nan 8.310 nan 0.000 0.497 508 W N 2.910 124.201 121.300 -0.015 0.000 2.798 508 W HA 0.251 4.909 4.660 -0.003 0.000 0.260 508 W C 0.494 177.027 176.519 0.024 0.000 1.165 508 W CA 0.738 58.066 57.345 -0.028 0.000 1.501 508 W CB 0.049 29.456 29.460 -0.088 0.000 1.023 508 W HN 0.723 nan 8.180 nan 0.000 0.615 509 H N -0.550 118.496 119.070 -0.039 0.000 3.085 509 H HA 0.511 5.065 4.556 -0.003 0.000 0.356 509 H C -1.687 173.612 175.328 -0.049 0.000 1.178 509 H CA 0.113 56.081 56.048 -0.134 0.000 1.214 509 H CB 1.702 31.249 29.762 -0.359 0.000 1.881 509 H HN -0.099 nan 8.280 nan 0.000 0.538 510 A N 4.037 126.715 122.820 -0.238 0.000 2.476 510 A HA 0.313 4.631 4.320 -0.003 0.000 0.280 510 A C -1.571 175.938 177.584 -0.125 0.000 1.081 510 A CA -0.680 51.385 52.037 0.046 0.000 0.753 510 A CB 1.102 20.204 19.000 0.170 0.000 1.248 510 A HN 0.555 nan 8.150 nan 0.000 0.424 511 D N 2.740 123.156 120.400 0.027 0.000 2.462 511 D HA 0.210 4.848 4.640 -0.003 0.000 0.245 511 D C 1.047 177.333 176.300 -0.025 0.000 1.122 511 D CA -0.430 53.566 54.000 -0.007 0.000 0.864 511 D CB 1.391 42.272 40.800 0.136 0.000 1.098 511 D HN 0.587 nan 8.370 nan 0.000 0.541 512 K N 2.663 122.963 120.400 -0.167 0.000 2.283 512 K HA -0.195 4.124 4.320 -0.003 0.000 0.202 512 K C 1.348 177.833 176.600 -0.192 0.000 1.048 512 K CA 0.908 56.978 56.287 -0.362 0.000 0.948 512 K CB 0.267 32.211 32.500 -0.927 0.000 0.742 512 K HN 0.190 nan 8.250 nan 0.000 0.458 513 Q N 1.403 121.133 119.800 -0.118 0.000 2.062 513 Q HA 0.055 4.393 4.340 -0.003 0.000 0.196 513 Q C 1.927 177.905 176.000 -0.037 0.000 0.967 513 Q CA 1.929 57.692 55.803 -0.068 0.000 0.832 513 Q CB -0.250 28.455 28.738 -0.055 0.000 0.899 513 Q HN 0.426 nan 8.270 nan 0.000 0.442 514 A N -0.248 122.562 122.820 -0.017 0.000 2.218 514 A HA 0.118 4.437 4.320 -0.003 0.000 0.209 514 A C 0.621 178.205 177.584 -0.001 0.000 1.168 514 A CA 0.632 52.661 52.037 -0.014 0.000 0.804 514 A CB -0.392 18.605 19.000 -0.005 0.000 0.834 514 A HN 0.602 nan 8.150 nan 0.000 0.482 515 N N -1.575 117.147 118.700 0.036 0.000 2.727 515 N HA -0.164 4.574 4.740 -0.003 0.000 0.249 515 N C -0.494 175.109 175.510 0.155 0.000 1.048 515 N CA 0.819 53.932 53.050 0.104 0.000 0.714 515 N CB -1.615 36.890 38.487 0.030 0.000 0.959 515 N HN 0.586 nan 8.380 nan 0.000 0.544 516 L N 0.919 122.243 121.223 0.168 0.000 2.307 516 L HA 0.604 4.942 4.340 -0.003 0.000 0.284 516 L C -0.785 176.279 176.870 0.323 0.000 1.023 516 L CA -0.965 53.989 54.840 0.190 0.000 0.810 516 L CB 0.929 43.024 42.059 0.060 0.000 1.231 516 L HN 0.214 nan 8.230 nan 0.000 0.423 517 Y N 4.661 125.101 120.300 0.232 0.000 2.425 517 Y HA 0.774 5.322 4.550 -0.003 0.000 0.344 517 Y C -0.918 175.167 175.900 0.309 0.000 0.969 517 Y CA -0.585 57.669 58.100 0.257 0.000 1.052 517 Y CB 1.833 40.431 38.460 0.229 0.000 1.215 517 Y HN 0.700 nan 8.280 nan 0.000 0.451 518 A N 6.088 128.611 122.820 -0.495 0.000 2.449 518 A HA 0.795 5.113 4.320 -0.003 0.000 0.302 518 A C -1.881 175.574 177.584 -0.215 0.000 1.048 518 A CA -0.538 51.347 52.037 -0.254 0.000 0.708 518 A CB 0.794 19.671 19.000 -0.205 0.000 1.274 518 A HN 0.833 nan 8.150 nan 0.000 0.410 519 F N -0.101 119.841 119.950 -0.013 0.000 2.650 519 F HA 0.872 5.397 4.527 -0.003 0.000 0.320 519 F C -1.164 174.724 175.800 0.146 0.000 1.091 519 F CA -1.439 56.622 58.000 0.101 0.000 0.962 519 F CB 1.324 40.451 39.000 0.211 0.000 1.363 519 F HN 0.342 nan 8.300 nan 0.000 0.482 520 V N 2.323 122.326 119.914 0.148 0.000 2.588 520 V HA 0.579 4.697 4.120 -0.003 0.000 0.304 520 V C -0.641 175.520 176.094 0.111 0.000 1.042 520 V CA -0.811 61.438 62.300 -0.084 0.000 0.877 520 V CB 1.808 33.413 31.823 -0.364 0.000 0.996 520 V HN 0.685 nan 8.190 nan 0.000 0.425 521 R N 2.341 122.900 120.500 0.098 0.000 2.346 521 R HA 0.739 5.077 4.340 -0.003 0.000 0.311 521 R C -0.520 175.850 176.300 0.117 0.000 0.983 521 R CA -0.363 55.816 56.100 0.132 0.000 0.880 521 R CB 1.630 32.010 30.300 0.134 0.000 1.100 521 R HN 0.735 nan 8.270 nan 0.000 0.453 522 T N 1.012 115.631 114.554 0.107 0.000 2.916 522 T HA 0.428 4.776 4.350 -0.003 0.000 0.298 522 T C -1.195 173.535 174.700 0.050 0.000 1.031 522 T CA -0.586 61.594 62.100 0.133 0.000 0.993 522 T CB 2.159 71.164 68.868 0.227 0.000 1.045 522 T HN 0.250 nan 8.240 nan 0.000 0.454 523 V N 4.066 123.987 119.914 0.013 0.000 2.610 523 V HA 0.457 4.575 4.120 -0.003 0.000 0.298 523 V C -0.278 175.792 176.094 -0.041 0.000 1.067 523 V CA -0.158 62.134 62.300 -0.012 0.000 0.894 523 V CB 1.206 33.021 31.823 -0.014 0.000 1.015 523 V HN 1.028 nan 8.190 nan 0.000 0.432 524 Q N 3.729 123.505 119.800 -0.041 0.000 1.555 524 Q HA -0.242 4.096 4.340 -0.003 0.000 0.344 524 Q C 0.461 176.391 176.000 -0.116 0.000 0.887 524 Q CA 2.310 58.079 55.803 -0.056 0.000 0.829 524 Q CB -0.876 27.835 28.738 -0.045 0.000 3.625 524 Q HN 0.856 nan 8.270 nan 0.000 0.622 525 D N 0.171 120.488 120.400 -0.139 0.000 2.350 525 D HA 0.034 4.672 4.640 -0.003 0.000 0.213 525 D C 0.061 176.139 176.300 -0.370 0.000 1.031 525 D CA 0.329 54.186 54.000 -0.238 0.000 0.861 525 D CB 0.060 40.772 40.800 -0.147 0.000 0.926 525 D HN 0.264 nan 8.370 nan 0.000 0.520 526 Q N 0.781 120.448 119.800 -0.222 0.000 2.304 526 Q HA 0.122 4.460 4.340 -0.003 0.000 0.260 526 Q C -0.961 174.939 176.000 -0.166 0.000 0.965 526 Q CA 0.095 55.833 55.803 -0.109 0.000 0.898 526 Q CB 0.441 29.230 28.738 0.085 0.000 1.196 526 Q HN 0.216 nan 8.270 nan 0.000 0.402 527 H N 1.584 120.704 119.070 0.084 0.000 2.589 527 H HA 0.514 5.068 4.556 -0.003 0.000 0.351 527 H C -1.304 174.094 175.328 0.116 0.000 1.074 527 H CA -1.025 55.050 56.048 0.044 0.000 1.203 527 H CB 2.008 31.764 29.762 -0.009 0.000 1.558 527 H HN 0.344 nan 8.280 nan 0.000 0.522 528 V N 3.058 123.084 119.914 0.187 0.000 2.409 528 V HA 0.415 4.533 4.120 -0.003 0.000 0.290 528 V C 0.269 176.336 176.094 -0.045 0.000 1.017 528 V CA -0.735 61.650 62.300 0.141 0.000 0.841 528 V CB 1.630 33.534 31.823 0.136 0.000 1.003 528 V HN 0.957 nan 8.190 nan 0.000 0.426 529 G N 3.755 112.488 108.800 -0.112 0.000 2.322 529 G HA2 0.560 4.518 3.960 -0.003 0.000 0.309 529 G HA3 0.560 4.518 3.960 -0.003 0.000 0.309 529 G C -0.774 174.072 174.900 -0.090 0.000 1.121 529 G CA -0.346 44.620 45.100 -0.222 0.000 0.886 529 G HN 0.522 nan 8.290 nan 0.000 0.447 530 V N 3.244 122.947 119.914 -0.352 0.000 2.370 530 V HA 0.337 4.455 4.120 -0.003 0.000 0.283 530 V C -0.108 175.902 176.094 -0.141 0.000 1.023 530 V CA -0.619 61.479 62.300 -0.337 0.000 0.857 530 V CB 1.433 32.814 31.823 -0.737 0.000 0.985 530 V HN 0.502 nan 8.190 nan 0.000 0.443 531 V N 6.999 126.920 119.914 0.012 0.000 2.384 531 V HA 0.499 4.617 4.120 -0.003 0.000 0.287 531 V C -0.276 175.890 176.094 0.119 0.000 1.020 531 V CA -0.464 61.842 62.300 0.009 0.000 0.850 531 V CB 1.525 33.285 31.823 -0.105 0.000 0.987 531 V HN 0.655 nan 8.190 nan 0.000 0.436 532 L N 4.135 125.489 121.223 0.219 0.000 2.325 532 L HA 0.553 4.891 4.340 -0.003 0.000 0.281 532 L C 0.007 177.008 176.870 0.219 0.000 1.004 532 L CA -0.505 54.522 54.840 0.311 0.000 0.823 532 L CB 1.498 43.895 42.059 0.562 0.000 1.236 532 L HN 0.526 nan 8.230 nan 0.000 0.415 533 N N 2.205 120.983 118.700 0.131 0.000 3.083 533 N HA 0.032 4.770 4.740 -0.003 0.000 0.260 533 N C 0.043 175.530 175.510 -0.039 0.000 1.163 533 N CA -0.180 52.883 53.050 0.022 0.000 1.060 533 N CB 0.129 38.594 38.487 -0.037 0.000 1.345 533 N HN 0.440 nan 8.380 nan 0.000 0.515 534 N N 1.955 120.645 118.700 -0.016 0.000 3.210 534 N HA 0.055 4.794 4.740 -0.003 0.000 0.314 534 N C -0.903 174.409 175.510 -0.330 0.000 1.291 534 N CA 0.091 53.044 53.050 -0.162 0.000 1.202 534 N CB -0.281 37.896 38.487 -0.517 0.000 1.475 534 N HN 0.480 nan 8.380 nan 0.000 0.554 535 R N -0.836 119.331 120.500 -0.555 0.000 2.626 535 R HA 0.396 4.734 4.340 -0.003 0.000 0.274 535 R C 0.126 175.870 176.300 -0.928 0.000 1.031 535 R CA -0.778 54.986 56.100 -0.560 0.000 0.898 535 R CB 0.824 30.957 30.300 -0.278 0.000 1.222 535 R HN 0.222 nan 8.270 nan 0.000 0.455 536 G N 2.387 110.803 108.800 -0.638 0.000 3.340 536 G HA2 0.099 4.057 3.960 -0.003 0.000 0.240 536 G HA3 0.099 4.057 3.960 -0.003 0.000 0.240 536 G C -0.429 174.363 174.900 -0.180 0.000 1.327 536 G CA 0.228 45.112 45.100 -0.361 0.000 1.170 536 G HN 0.560 nan 8.290 nan 0.000 0.520 537 E N -0.463 119.604 120.200 -0.222 0.000 2.366 537 E HA 0.225 4.573 4.350 -0.003 0.000 0.278 537 E C -0.866 175.665 176.600 -0.115 0.000 0.923 537 E CA -0.943 55.384 56.400 -0.121 0.000 0.761 537 E CB 2.156 31.799 29.700 -0.095 0.000 1.231 537 E HN 0.090 nan 8.360 nan 0.000 0.443 538 K N 2.595 122.953 120.400 -0.071 0.000 2.379 538 K HA 0.098 4.416 4.320 -0.003 0.000 0.284 538 K C -0.704 175.859 176.600 -0.062 0.000 1.044 538 K CA 0.416 56.668 56.287 -0.058 0.000 0.974 538 K CB 0.506 32.985 32.500 -0.035 0.000 0.962 538 K HN 0.394 nan 8.250 nan 0.000 0.474 539 Q N 2.063 121.822 119.800 -0.068 0.000 2.451 539 Q HA 0.340 4.678 4.340 -0.003 0.000 0.281 539 Q C -1.132 174.824 176.000 -0.074 0.000 1.099 539 Q CA -1.134 54.627 55.803 -0.070 0.000 0.806 539 Q CB 2.382 31.073 28.738 -0.079 0.000 1.419 539 Q HN 0.467 nan 8.270 nan 0.000 0.427 540 T N 0.983 115.492 114.554 -0.075 0.000 2.807 540 T HA 0.528 4.877 4.350 -0.003 0.000 0.279 540 T C -1.182 173.448 174.700 -0.116 0.000 0.993 540 T CA -0.536 61.512 62.100 -0.086 0.000 0.970 540 T CB 1.531 70.361 68.868 -0.063 0.000 0.950 540 T HN 0.348 nan 8.240 nan 0.000 0.441 541 V N 4.203 124.016 119.914 -0.168 0.000 2.914 541 V HA 0.757 4.875 4.120 -0.003 0.000 0.314 541 V C -1.656 174.282 176.094 -0.260 0.000 1.084 541 V CA -1.002 61.150 62.300 -0.246 0.000 0.963 541 V CB 2.056 33.644 31.823 -0.392 0.000 1.025 541 V HN 0.712 nan 8.190 nan 0.000 0.432 542 L N 5.618 126.690 121.223 -0.252 0.000 2.298 542 L HA 0.646 4.984 4.340 -0.003 0.000 0.284 542 L C -0.826 175.886 176.870 -0.262 0.000 1.013 542 L CA 0.032 54.753 54.840 -0.199 0.000 0.824 542 L CB 1.350 43.352 42.059 -0.094 0.000 1.221 542 L HN 0.570 nan 8.230 nan 0.000 0.418 543 L N 3.579 124.605 121.223 -0.328 0.000 2.331 543 L HA 0.519 4.857 4.340 -0.003 0.000 0.275 543 L C 0.036 176.838 176.870 -0.113 0.000 1.022 543 L CA -0.531 54.074 54.840 -0.393 0.000 0.812 543 L CB 1.350 42.866 42.059 -0.905 0.000 1.257 543 L HN 0.433 nan 8.230 nan 0.000 0.435 544 Q N 2.271 122.087 119.800 0.027 0.000 2.288 544 Q HA 0.430 4.768 4.340 -0.003 0.000 0.258 544 Q C -0.560 175.614 176.000 0.290 0.000 0.957 544 Q CA -0.184 55.707 55.803 0.147 0.000 0.919 544 Q CB 1.626 30.456 28.738 0.153 0.000 1.185 544 Q HN 0.483 nan 8.270 nan 0.000 0.408 545 V N 0.220 120.269 119.914 0.226 0.000 2.558 545 V HA 0.339 4.457 4.120 -0.003 0.000 0.261 545 V C -2.492 173.739 176.094 0.228 0.000 0.958 545 V CA -2.088 60.376 62.300 0.274 0.000 0.852 545 V CB 1.125 33.151 31.823 0.337 0.000 1.067 545 V HN 0.522 nan 8.190 nan 0.000 0.468 546 P HA 0.163 nan 4.420 nan 0.000 0.266 546 P C 0.942 178.315 177.300 0.122 0.000 1.215 546 P CA 0.386 63.557 63.100 0.119 0.000 0.763 546 P CB 1.127 32.878 31.700 0.085 0.000 0.806 547 E N 2.057 122.320 120.200 0.105 0.000 2.271 547 E HA -0.277 4.071 4.350 -0.003 0.000 0.209 547 E C 1.867 178.492 176.600 0.042 0.000 1.046 547 E CA 2.127 58.569 56.400 0.070 0.000 0.840 547 E CB -0.337 29.389 29.700 0.043 0.000 0.738 547 E HN 0.618 nan 8.360 nan 0.000 0.470 548 S N -0.213 115.517 115.700 0.050 0.000 2.440 548 S HA -0.118 4.350 4.470 -0.003 0.000 0.238 548 S C 1.952 176.590 174.600 0.064 0.000 1.010 548 S CA 1.036 59.261 58.200 0.042 0.000 0.972 548 S CB -0.245 62.984 63.200 0.048 0.000 0.774 548 S HN 0.347 nan 8.310 nan 0.000 0.501 549 G N 0.211 109.070 108.800 0.098 0.000 2.939 549 G HA2 0.534 4.492 3.960 -0.003 0.000 0.210 549 G HA3 0.534 4.492 3.960 -0.003 0.000 0.210 549 G C 0.565 175.525 174.900 0.100 0.000 1.160 549 G CA 0.026 45.234 45.100 0.180 0.000 0.770 549 G HN 1.182 nan 8.290 nan 0.000 0.543 550 G N -0.827 107.946 108.800 -0.044 0.000 2.334 550 G HA2 0.164 4.122 3.960 -0.003 0.000 0.566 550 G HA3 0.164 4.122 3.960 -0.003 0.000 0.566 550 G C -0.136 174.483 174.900 -0.469 0.000 1.413 550 G CA -0.423 44.466 45.100 -0.352 0.000 0.993 550 G HN -0.055 nan 8.290 nan 0.000 0.642 551 K N -1.027 118.998 120.400 -0.625 0.000 2.399 551 K HA 0.271 4.589 4.320 -0.003 0.000 0.196 551 K C 0.965 177.198 176.600 -0.611 0.000 1.103 551 K CA 1.168 57.209 56.287 -0.411 0.000 0.986 551 K CB 1.196 33.597 32.500 -0.164 0.000 0.952 551 K HN 0.904 nan 8.250 nan 0.000 0.541 552 T N -0.748 113.222 114.554 -0.973 0.000 2.909 552 T HA 0.547 4.895 4.350 -0.003 0.000 0.299 552 T C -1.649 172.516 174.700 -0.891 0.000 1.073 552 T CA -0.714 60.983 62.100 -0.671 0.000 0.999 552 T CB 1.222 69.901 68.868 -0.315 0.000 1.098 552 T HN 0.065 nan 8.240 nan 0.000 0.477 553 W N 2.859 124.046 121.300 -0.188 0.000 3.031 553 W HA 0.616 5.275 4.660 -0.003 0.000 0.337 553 W C -1.241 175.221 176.519 -0.094 0.000 1.187 553 W CA -1.021 56.246 57.345 -0.131 0.000 1.166 553 W CB 2.137 31.573 29.460 -0.040 0.000 1.437 553 W HN 0.603 nan 8.180 nan 0.000 0.551 554 L N 2.661 124.016 121.223 0.220 0.000 2.305 554 L HA 0.304 4.642 4.340 -0.003 0.000 0.284 554 L C -0.189 176.831 176.870 0.249 0.000 1.013 554 L CA 0.014 54.982 54.840 0.212 0.000 0.819 554 L CB 0.770 42.998 42.059 0.280 0.000 1.227 554 L HN 0.210 nan 8.230 nan 0.000 0.417 555 D N 4.046 124.551 120.400 0.176 0.000 2.383 555 D HA 0.037 4.676 4.640 -0.003 0.000 0.245 555 D C 0.843 177.225 176.300 0.137 0.000 1.263 555 D CA -0.052 54.037 54.000 0.148 0.000 0.936 555 D CB 0.670 41.534 40.800 0.107 0.000 1.053 555 D HN 0.745 nan 8.370 nan 0.000 0.507 556 C N 3.520 122.906 119.300 0.144 0.000 2.421 556 C HA -0.054 4.404 4.460 -0.003 0.000 0.296 556 C C 2.427 177.457 174.990 0.066 0.000 1.470 556 C CA 0.100 59.176 59.018 0.097 0.000 1.779 556 C CB -1.122 26.652 27.740 0.056 0.000 1.715 556 C HN 0.673 nan 8.230 nan 0.000 0.564 557 L N 0.358 121.630 121.223 0.082 0.000 2.477 557 L HA 0.030 4.368 4.340 -0.003 0.000 0.220 557 L C 2.430 179.353 176.870 0.089 0.000 1.106 557 L CA 1.554 56.446 54.840 0.087 0.000 0.851 557 L CB -0.259 41.870 42.059 0.117 0.000 0.994 557 L HN 0.522 nan 8.230 nan 0.000 0.462 558 T N -6.251 108.354 114.554 0.084 0.000 2.969 558 T HA 0.268 4.617 4.350 -0.003 0.000 0.258 558 T C 1.375 176.118 174.700 0.073 0.000 0.962 558 T CA 0.574 62.720 62.100 0.076 0.000 0.903 558 T CB 1.097 70.010 68.868 0.074 0.000 1.177 558 T HN 0.231 nan 8.240 nan 0.000 0.511 559 G N 1.738 110.587 108.800 0.081 0.000 2.176 559 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.253 559 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.253 559 G C -0.145 174.805 174.900 0.082 0.000 0.979 559 G CA 0.294 45.444 45.100 0.083 0.000 0.641 559 G HN 0.974 nan 8.290 nan 0.000 0.530 560 E N 0.679 120.928 120.200 0.081 0.000 2.373 560 E HA 0.463 4.811 4.350 -0.003 0.000 0.267 560 E C -0.039 176.604 176.600 0.072 0.000 1.032 560 E CA -0.306 56.139 56.400 0.075 0.000 0.889 560 E CB 0.431 30.172 29.700 0.069 0.000 0.984 560 E HN 0.391 nan 8.360 nan 0.000 0.425 561 E N 3.472 123.705 120.200 0.054 0.000 2.151 561 E HA 0.330 4.678 4.350 -0.003 0.000 0.275 561 E C -1.141 175.400 176.600 -0.098 0.000 0.936 561 E CA -0.945 55.443 56.400 -0.020 0.000 0.777 561 E CB 1.458 31.153 29.700 -0.008 0.000 1.108 561 E HN 0.409 nan 8.360 nan 0.000 0.401 562 V N 1.559 121.388 119.914 -0.142 0.000 2.715 562 V HA 0.629 4.748 4.120 -0.003 0.000 0.310 562 V C -1.124 174.857 176.094 -0.189 0.000 1.054 562 V CA -0.769 61.490 62.300 -0.068 0.000 0.928 562 V CB 1.536 33.408 31.823 0.081 0.000 1.007 562 V HN 0.703 nan 8.190 nan 0.000 0.437 563 H N 1.660 120.873 119.070 0.239 0.000 2.572 563 H HA 0.824 5.379 4.556 -0.003 0.000 0.359 563 H C 0.436 175.941 175.328 0.295 0.000 1.134 563 H CA 0.239 56.439 56.048 0.253 0.000 1.187 563 H CB 1.997 31.827 29.762 0.114 0.000 1.597 563 H HN 1.156 nan 8.280 nan 0.000 0.524 564 G N 0.893 110.003 108.800 0.517 0.000 2.412 564 G HA2 0.559 4.518 3.960 -0.003 0.000 0.318 564 G HA3 0.559 4.518 3.960 -0.003 0.000 0.318 564 G C -1.035 174.009 174.900 0.238 0.000 1.146 564 G CA -1.031 44.305 45.100 0.393 0.000 0.882 564 G HN 0.539 nan 8.290 nan 0.000 0.501 565 K N 0.150 120.649 120.400 0.164 0.000 2.507 565 K HA 0.495 4.813 4.320 -0.003 0.000 0.251 565 K C -0.220 176.433 176.600 0.089 0.000 0.943 565 K CA -1.003 55.349 56.287 0.108 0.000 0.794 565 K CB 1.608 34.156 32.500 0.079 0.000 1.188 565 K HN 0.587 nan 8.250 nan 0.000 0.428 566 Q N 1.392 121.238 119.800 0.077 0.000 2.468 566 Q HA -0.222 4.116 4.340 -0.003 0.000 0.289 566 Q C 0.524 176.570 176.000 0.077 0.000 1.299 566 Q CA 0.831 56.672 55.803 0.064 0.000 0.838 566 Q CB -2.088 26.679 28.738 0.048 0.000 1.195 566 Q HN 1.369 nan 8.270 nan 0.000 0.456 567 G N -0.625 108.238 108.800 0.105 0.000 2.155 567 G HA2 -0.344 3.615 3.960 -0.003 0.000 0.257 567 G HA3 -0.344 3.615 3.960 -0.003 0.000 0.257 567 G C -0.083 174.891 174.900 0.123 0.000 0.983 567 G CA 0.768 45.942 45.100 0.122 0.000 0.676 567 G HN 0.413 nan 8.290 nan 0.000 0.528 568 Q N -0.993 118.875 119.800 0.113 0.000 2.375 568 Q HA 0.728 5.067 4.340 -0.003 0.000 0.271 568 Q C -0.806 175.239 176.000 0.076 0.000 1.074 568 Q CA -0.791 55.057 55.803 0.075 0.000 0.808 568 Q CB 2.633 31.396 28.738 0.042 0.000 1.327 568 Q HN 0.245 nan 8.270 nan 0.000 0.441 569 L N 2.397 123.621 121.223 0.002 0.000 2.349 569 L HA 0.528 4.866 4.340 -0.003 0.000 0.278 569 L C -1.180 175.627 176.870 -0.104 0.000 0.996 569 L CA -0.523 54.294 54.840 -0.040 0.000 0.825 569 L CB 1.475 43.427 42.059 -0.178 0.000 1.243 569 L HN 0.499 nan 8.230 nan 0.000 0.412 570 K N 5.978 126.345 120.400 -0.055 0.000 2.240 570 K HA 0.637 4.955 4.320 -0.003 0.000 0.271 570 K C -1.601 174.950 176.600 -0.082 0.000 1.018 570 K CA -0.492 55.750 56.287 -0.076 0.000 0.874 570 K CB 1.001 33.482 32.500 -0.031 0.000 1.098 570 K HN 0.579 nan 8.250 nan 0.000 0.458 571 L N 2.857 124.002 121.223 -0.130 0.000 2.381 571 L HA 0.437 4.775 4.340 -0.003 0.000 0.268 571 L C -0.574 176.236 176.870 -0.100 0.000 0.997 571 L CA -0.936 53.835 54.840 -0.115 0.000 0.818 571 L CB 2.452 44.408 42.059 -0.171 0.000 1.310 571 L HN 0.589 nan 8.230 nan 0.000 0.416 572 T N 4.004 118.520 114.554 -0.063 0.000 2.786 572 T HA 0.618 4.966 4.350 -0.003 0.000 0.283 572 T C -0.424 174.251 174.700 -0.042 0.000 0.992 572 T CA -0.394 61.674 62.100 -0.053 0.000 0.954 572 T CB 0.888 69.737 68.868 -0.032 0.000 0.934 572 T HN 0.249 nan 8.240 nan 0.000 0.440 573 L N 3.232 124.425 121.223 -0.050 0.000 2.346 573 L HA 0.615 4.953 4.340 -0.003 0.000 0.274 573 L C 0.534 177.386 176.870 -0.030 0.000 1.007 573 L CA -1.212 53.609 54.840 -0.032 0.000 0.818 573 L CB 1.991 44.028 42.059 -0.037 0.000 1.284 573 L HN 0.430 nan 8.230 nan 0.000 0.424 574 R N 1.487 121.982 120.500 -0.009 0.000 2.649 574 R HA 0.289 4.627 4.340 -0.003 0.000 0.270 574 R C -2.336 173.952 176.300 -0.020 0.000 1.105 574 R CA -1.472 54.624 56.100 -0.006 0.000 1.193 574 R CB -0.182 30.129 30.300 0.017 0.000 1.120 574 R HN 0.331 nan 8.270 nan 0.000 0.561 575 P HA -0.104 nan 4.420 nan 0.000 0.262 575 P C -0.985 176.335 177.300 0.033 0.000 1.182 575 P CA 0.726 63.769 63.100 -0.095 0.000 0.761 575 P CB 0.067 31.768 31.700 0.002 0.000 0.795 576 Y N -0.865 119.441 120.300 0.010 0.000 3.978 576 Y HA -0.291 4.257 4.550 -0.003 0.000 0.219 576 Y C 0.952 176.881 175.900 0.048 0.000 1.153 576 Y CA 0.564 58.683 58.100 0.032 0.000 1.718 576 Y CB -2.119 36.354 38.460 0.020 0.000 1.541 576 Y HN 0.442 nan 8.280 nan 0.000 0.640 577 Q N 1.128 121.000 119.800 0.121 0.000 2.259 577 Q HA 0.591 4.930 4.340 -0.003 0.000 0.246 577 Q C 0.456 176.534 176.000 0.129 0.000 0.920 577 Q CA 0.073 55.941 55.803 0.109 0.000 0.895 577 Q CB 1.468 30.244 28.738 0.064 0.000 1.220 577 Q HN 0.357 nan 8.270 nan 0.000 0.439 578 G N 3.104 111.996 108.800 0.152 0.000 2.524 578 G HA2 0.634 4.593 3.960 -0.003 0.000 0.310 578 G HA3 0.634 4.593 3.960 -0.003 0.000 0.310 578 G C -1.166 173.816 174.900 0.137 0.000 1.279 578 G CA -0.777 44.427 45.100 0.173 0.000 0.974 578 G HN 0.625 nan 8.290 nan 0.000 0.484 579 M N 1.357 121.021 119.600 0.106 0.000 2.465 579 M HA 0.480 4.958 4.480 -0.003 0.000 0.316 579 M C -0.822 175.526 176.300 0.080 0.000 1.121 579 M CA -0.527 54.824 55.300 0.084 0.000 0.934 579 M CB 2.883 35.512 32.600 0.048 0.000 1.692 579 M HN 0.239 nan 8.290 nan 0.000 0.444 580 I N 4.647 125.269 120.570 0.088 0.000 2.460 580 I HA 0.311 4.479 4.170 -0.003 0.000 0.277 580 I C -1.000 175.195 176.117 0.129 0.000 1.057 580 I CA -0.379 60.970 61.300 0.080 0.000 1.179 580 I CB 0.587 38.627 38.000 0.068 0.000 1.329 580 I HN 0.516 nan 8.210 nan 0.000 0.478 581 L N 5.159 126.462 121.223 0.134 0.000 2.268 581 L HA 0.266 4.604 4.340 -0.003 0.000 0.289 581 L C -0.584 176.493 176.870 0.345 0.000 1.064 581 L CA -0.330 54.639 54.840 0.214 0.000 0.824 581 L CB 0.342 42.460 42.059 0.099 0.000 1.202 581 L HN 0.559 nan 8.230 nan 0.000 0.433 582 W N 5.552 126.963 121.300 0.186 0.000 2.351 582 W HA 0.219 4.877 4.660 -0.003 0.000 0.311 582 W C 1.118 177.761 176.519 0.206 0.000 1.168 582 W CA -0.913 56.527 57.345 0.159 0.000 1.200 582 W CB 0.750 30.255 29.460 0.074 0.000 1.221 582 W HN 0.594 nan 8.180 nan 0.000 0.519 583 N N 3.978 122.564 118.700 -0.190 0.000 2.449 583 N HA 0.038 4.776 4.740 -0.003 0.000 0.191 583 N C 1.222 176.138 175.510 -0.989 0.000 1.161 583 N CA 0.759 53.493 53.050 -0.525 0.000 0.863 583 N CB -0.299 38.065 38.487 -0.206 0.000 0.980 583 N HN 0.976 nan 8.380 nan 0.000 0.458 584 G N -0.295 107.270 108.800 -2.059 0.000 2.148 584 G HA2 -0.281 3.678 3.960 -0.003 0.000 0.254 584 G HA3 -0.281 3.678 3.960 -0.003 0.000 0.254 584 G C 0.093 174.454 174.900 -0.898 0.000 0.981 584 G CA 0.228 44.042 45.100 -2.143 0.000 0.670 584 G HN 0.435 nan 8.290 nan 0.000 0.528 585 R N 0.000 120.227 120.500 -0.455 0.000 2.786 585 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 585 R CA 0.000 56.080 56.100 -0.033 0.000 0.921 585 R CB 0.000 30.215 30.300 -0.142 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535