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 1jmz_1_A DATA FIRST_RESID 2 DATA SEQUENCE EQGPSLLQNK CMGCHIPEGN DTYSRISHQR KTPEGWLMSI ARMQVMHGLQ DATA SEQUENCE ISDDDRRTLV KYLADKQGLA PSETDGVRYA MERRLNTVEQ FDTQLSETCG DATA SEQUENCE RCHSGARVAL QRRPAKEWEH LVNFHLGQWP SLEYQAQARD RDWLPIALQQ DATA SEQUENCE VVPDLAKRYP LESAAWAEWQ KARPKADALP GQWAFSGHML AKGDVRGVMS DATA SEQUENCE VTPDQGDTFK VEVKGAYADG TPFNGSGSAI LYNGYEWRGN VKVGDANLRQ DATA SEQUENCE VFAALDGEMK GRMFEAEHDE RGLDFTAVKE GKARLLAVQP AFIKAGGESE DATA SEQUENCE ITLVGSGLAG KPDLGAGVEV TEVLEQTPTL VRLKARAAAD AKPGQREVAV DATA SEQUENCE GTLKGVNLAV YDKVEEVKVV PAFSIARIGE NGASVPKVQG RFEAEAWGKD DATA SEQUENCE ANGQPLRIGY LPASWKVEPF NERAVEDEDV KFAGKMQADG VFVPGGAGPN DATA SEQUENCE PERKMMTNNA GNLKVIATLA DGGQTGEGHM IVTVQRWNNP PLP 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.546 176.600 -0.090 0.000 1.382 2 E CA 0.000 56.357 56.400 -0.072 0.000 0.976 2 E CB 0.000 29.652 29.700 -0.079 0.000 0.812 3 Q N 0.414 120.148 119.800 -0.111 0.000 2.227 3 Q HA 0.329 4.669 4.340 -0.000 0.000 0.245 3 Q C 0.976 176.823 176.000 -0.255 0.000 0.926 3 Q CA 0.457 56.174 55.803 -0.145 0.000 0.895 3 Q CB 1.306 29.970 28.738 -0.124 0.000 1.230 3 Q HN 0.824 nan 8.270 nan 0.000 0.450 4 G N 2.750 111.308 108.800 -0.404 0.000 2.491 4 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 4 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 4 G C -0.942 173.438 174.900 -0.868 0.000 1.180 4 G CA 0.691 45.302 45.100 -0.815 0.000 0.774 4 G HN 0.537 nan 8.290 nan 0.000 0.562 5 P HA -0.139 nan 4.420 nan 0.000 0.216 5 P C 2.188 179.384 177.300 -0.173 0.000 1.150 5 P CA 2.301 65.186 63.100 -0.358 0.000 0.837 5 P CB -0.218 31.373 31.700 -0.182 0.000 0.786 6 S N -0.701 114.898 115.700 -0.167 0.000 2.414 6 S HA -0.027 4.443 4.470 -0.000 0.000 0.227 6 S C 2.181 176.711 174.600 -0.118 0.000 1.022 6 S CA 0.393 58.532 58.200 -0.102 0.000 0.958 6 S CB -1.448 61.702 63.200 -0.083 0.000 0.797 6 S HN 0.046 nan 8.310 nan 0.000 0.493 7 L N 0.484 121.611 121.223 -0.161 0.000 2.109 7 L HA 0.092 4.432 4.340 -0.000 0.000 0.207 7 L C 2.635 179.402 176.870 -0.171 0.000 1.086 7 L CA 0.813 55.564 54.840 -0.148 0.000 0.760 7 L CB -0.413 41.555 42.059 -0.152 0.000 0.910 7 L HN 0.347 nan 8.230 nan 0.000 0.437 8 L N -0.590 120.506 121.223 -0.210 0.000 2.012 8 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 8 L C 2.781 179.415 176.870 -0.393 0.000 1.073 8 L CA 1.472 56.152 54.840 -0.268 0.000 0.748 8 L CB -0.359 41.598 42.059 -0.170 0.000 0.891 8 L HN 0.422 nan 8.230 nan 0.000 0.431 9 Q N 0.079 119.734 119.800 -0.242 0.000 2.020 9 Q HA -0.193 4.147 4.340 -0.000 0.000 0.198 9 Q C 1.877 177.798 176.000 -0.131 0.000 0.974 9 Q CA 1.674 57.374 55.803 -0.173 0.000 0.829 9 Q CB -0.052 28.712 28.738 0.044 0.000 0.894 9 Q HN 0.486 nan 8.270 nan 0.000 0.433 10 N N 0.479 119.122 118.700 -0.095 0.000 2.205 10 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 10 N C 1.364 176.828 175.510 -0.077 0.000 1.015 10 N CA 1.174 54.181 53.050 -0.071 0.000 0.862 10 N CB 0.021 38.471 38.487 -0.062 0.000 0.986 10 N HN 0.184 nan 8.380 nan 0.000 0.429 11 K N -0.878 119.460 120.400 -0.103 0.000 2.365 11 K HA 0.261 4.580 4.320 -0.000 0.000 0.195 11 K C 1.359 177.909 176.600 -0.084 0.000 1.079 11 K CA 0.266 56.502 56.287 -0.084 0.000 0.979 11 K CB 0.366 32.818 32.500 -0.080 0.000 0.929 11 K HN 0.232 nan 8.250 nan 0.000 0.523 12 C N 0.501 119.713 119.300 -0.147 0.000 2.820 12 C HA 0.324 4.784 4.460 -0.000 0.000 0.323 12 C C 1.538 176.484 174.990 -0.074 0.000 1.279 12 C CA -0.704 58.250 59.018 -0.106 0.000 1.790 12 C CB -0.110 27.485 27.740 -0.242 0.000 2.328 12 C HN 0.364 nan 8.230 nan 0.000 0.579 13 M N 1.385 120.885 119.600 -0.167 0.000 2.228 13 M HA 0.345 4.825 4.480 -0.000 0.000 0.303 13 M C 1.457 177.746 176.300 -0.018 0.000 1.099 13 M CA 2.197 57.458 55.300 -0.065 0.000 1.171 13 M CB 0.400 32.980 32.600 -0.033 0.000 1.412 13 M HN 0.647 nan 8.290 nan 0.000 0.447 14 G N 1.345 110.149 108.800 0.006 0.000 3.079 14 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.214 14 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.214 14 G C 0.767 175.634 174.900 -0.056 0.000 1.335 14 G CA 0.279 45.367 45.100 -0.019 0.000 0.822 14 G HN 0.732 nan 8.290 nan 0.000 0.545 15 C N 1.751 120.993 119.300 -0.096 0.000 2.507 15 C HA 0.385 4.845 4.460 -0.000 0.000 0.280 15 C C 0.922 175.693 174.990 -0.365 0.000 1.345 15 C CA 0.415 59.292 59.018 -0.235 0.000 1.736 15 C CB -0.685 26.886 27.740 -0.281 0.000 2.060 15 C HN 0.571 nan 8.230 nan 0.000 0.498 16 H N 1.304 120.357 119.070 -0.029 0.000 2.504 16 H HA 0.398 4.954 4.556 -0.000 0.000 0.322 16 H C -0.109 175.299 175.328 0.134 0.000 1.055 16 H CA -0.281 55.787 56.048 0.034 0.000 1.231 16 H CB 0.935 30.706 29.762 0.016 0.000 1.417 16 H HN 0.443 nan 8.280 nan 0.000 0.472 17 I N 1.706 122.413 120.570 0.228 0.000 2.496 17 I HA 0.311 4.481 4.170 -0.000 0.000 0.285 17 I C -2.631 173.652 176.117 0.276 0.000 1.080 17 I CA -1.944 59.480 61.300 0.206 0.000 1.404 17 I CB 0.766 38.830 38.000 0.107 0.000 1.403 17 I HN 0.131 nan 8.210 nan 0.000 0.539 18 P HA 0.154 nan 4.420 nan 0.000 0.271 18 P C -0.641 176.609 177.300 -0.083 0.000 1.220 18 P CA 0.069 63.148 63.100 -0.034 0.000 0.768 18 P CB 0.670 32.398 31.700 0.047 0.000 0.848 19 E N 1.886 121.973 120.200 -0.188 0.000 2.538 19 E HA 0.343 4.692 4.350 -0.000 0.000 0.207 19 E C 0.496 177.039 176.600 -0.094 0.000 1.002 19 E CA -0.280 56.075 56.400 -0.075 0.000 0.952 19 E CB 0.324 30.029 29.700 0.007 0.000 1.031 19 E HN 0.685 nan 8.360 nan 0.000 0.476 20 G N 2.694 111.398 108.800 -0.161 0.000 2.587 20 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.686 20 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.686 20 G C -0.485 174.334 174.900 -0.135 0.000 1.236 20 G CA -0.623 44.409 45.100 -0.113 0.000 0.820 20 G HN 0.353 nan 8.290 nan 0.000 0.645 21 N N 0.665 119.313 118.700 -0.087 0.000 2.725 21 N HA -0.251 4.488 4.740 -0.000 0.000 0.280 21 N C 0.170 175.636 175.510 -0.075 0.000 1.017 21 N CA 1.236 54.249 53.050 -0.061 0.000 0.813 21 N CB -0.685 37.784 38.487 -0.030 0.000 0.931 21 N HN 1.193 nan 8.380 nan 0.000 0.570 22 D N -2.253 118.082 120.400 -0.109 0.000 3.059 22 D HA -0.169 4.471 4.640 -0.000 0.000 0.220 22 D C 0.397 176.607 176.300 -0.150 0.000 1.169 22 D CA 1.939 55.901 54.000 -0.062 0.000 0.902 22 D CB -1.598 39.247 40.800 0.076 0.000 1.116 22 D HN 0.894 nan 8.370 nan 0.000 0.417 23 T N -2.237 112.097 114.554 -0.367 0.000 2.859 23 T HA 0.662 5.012 4.350 -0.000 0.000 0.281 23 T C -0.354 173.967 174.700 -0.631 0.000 1.005 23 T CA -0.584 61.329 62.100 -0.313 0.000 1.025 23 T CB 2.047 70.814 68.868 -0.169 0.000 0.977 23 T HN 0.047 nan 8.240 nan 0.000 0.458 24 Y N 0.250 120.557 120.300 0.012 0.000 2.609 24 Y HA 0.552 5.102 4.550 -0.000 0.000 0.342 24 Y C 0.763 176.770 175.900 0.178 0.000 1.058 24 Y CA -1.189 56.959 58.100 0.081 0.000 1.055 24 Y CB 1.859 40.350 38.460 0.052 0.000 1.292 24 Y HN 0.962 nan 8.280 nan 0.000 0.476 25 S N 2.247 118.189 115.700 0.404 0.000 2.560 25 S HA 0.283 4.753 4.470 -0.000 0.000 0.284 25 S C 0.564 175.424 174.600 0.434 0.000 1.327 25 S CA -0.329 58.112 58.200 0.402 0.000 1.055 25 S CB 0.885 64.236 63.200 0.251 0.000 0.868 25 S HN 0.815 nan 8.310 nan 0.000 0.506 26 R N 0.808 121.589 120.500 0.468 0.000 1.242 26 R HA -0.245 4.095 4.340 -0.000 0.000 0.031 26 R C 1.514 177.978 176.300 0.273 0.000 0.958 26 R CA 2.225 58.529 56.100 0.340 0.000 1.982 26 R CB -2.779 27.676 30.300 0.258 0.000 0.179 26 R HN 0.755 nan 8.270 nan 0.000 0.729 27 I N 1.534 122.181 120.570 0.129 0.000 2.118 27 I HA -0.242 3.928 4.170 -0.000 0.000 0.241 27 I C 1.592 177.748 176.117 0.066 0.000 1.070 27 I CA 2.300 63.649 61.300 0.081 0.000 1.327 27 I CB -0.347 37.624 38.000 -0.048 0.000 1.034 27 I HN 0.156 nan 8.210 nan 0.000 0.405 28 S N -0.577 115.047 115.700 -0.128 0.000 2.754 28 S HA 0.051 4.521 4.470 -0.000 0.000 0.223 28 S C 0.698 174.942 174.600 -0.594 0.000 0.951 28 S CA 0.149 58.139 58.200 -0.349 0.000 0.954 28 S CB -0.387 62.576 63.200 -0.395 0.000 0.780 28 S HN 0.432 nan 8.310 nan 0.000 0.509 29 H N 0.589 119.713 119.070 0.090 0.000 2.649 29 H HA 0.377 4.933 4.556 -0.000 0.000 0.258 29 H C -0.153 175.171 175.328 -0.006 0.000 1.165 29 H CA -0.164 55.913 56.048 0.048 0.000 1.006 29 H CB 0.422 30.211 29.762 0.046 0.000 1.743 29 H HN 0.415 nan 8.280 nan 0.000 0.609 30 Q N 0.866 120.709 119.800 0.071 0.000 2.379 30 Q HA 0.560 4.900 4.340 -0.000 0.000 0.278 30 Q C -0.570 175.434 176.000 0.007 0.000 1.068 30 Q CA -0.741 55.030 55.803 -0.053 0.000 0.816 30 Q CB 3.090 31.741 28.738 -0.146 0.000 1.387 30 Q HN 0.136 nan 8.270 nan 0.000 0.413 31 R N 1.353 121.756 120.500 -0.162 0.000 2.561 31 R HA 0.581 4.920 4.340 -0.000 0.000 0.297 31 R C -0.965 175.131 176.300 -0.339 0.000 0.969 31 R CA -0.629 55.375 56.100 -0.161 0.000 0.879 31 R CB 1.933 32.021 30.300 -0.354 0.000 1.178 31 R HN 0.475 nan 8.270 nan 0.000 0.445 32 K N 0.202 120.357 120.400 -0.407 0.000 2.469 32 K HA 0.379 4.699 4.320 -0.000 0.000 0.268 32 K C -0.254 176.155 176.600 -0.317 0.000 1.027 32 K CA -0.976 54.964 56.287 -0.578 0.000 0.893 32 K CB 1.570 33.398 32.500 -1.118 0.000 1.460 32 K HN 0.593 nan 8.250 nan 0.000 0.449 33 T N -2.213 112.172 114.554 -0.282 0.000 2.754 33 T HA 0.157 4.507 4.350 -0.000 0.000 0.286 33 T C -1.990 172.633 174.700 -0.128 0.000 0.997 33 T CA -1.361 60.644 62.100 -0.158 0.000 0.982 33 T CB 0.629 69.401 68.868 -0.159 0.000 1.027 33 T HN 0.152 nan 8.240 nan 0.000 0.529 34 P HA -0.114 nan 4.420 nan 0.000 0.215 34 P C 1.606 178.783 177.300 -0.205 0.000 1.153 34 P CA 0.997 63.902 63.100 -0.325 0.000 0.853 34 P CB 0.024 31.249 31.700 -0.792 0.000 0.788 35 E N -0.760 119.332 120.200 -0.180 0.000 2.208 35 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 35 E C 2.244 178.765 176.600 -0.131 0.000 0.988 35 E CA 1.398 57.722 56.400 -0.125 0.000 0.828 35 E CB -1.556 28.086 29.700 -0.097 0.000 0.763 35 E HN 0.230 nan 8.360 nan 0.000 0.478 36 G N 0.742 109.421 108.800 -0.202 0.000 2.402 36 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.216 36 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.216 36 G C 1.270 175.980 174.900 -0.318 0.000 1.162 36 G CA 0.474 45.390 45.100 -0.307 0.000 0.777 36 G HN 0.295 nan 8.290 nan 0.000 0.539 37 W N 0.002 121.216 121.300 -0.145 0.000 2.388 37 W HA 0.091 4.751 4.660 -0.000 0.000 0.294 37 W C 2.391 178.846 176.519 -0.106 0.000 1.212 37 W CA 0.209 57.478 57.345 -0.127 0.000 1.271 37 W CB -0.228 29.151 29.460 -0.135 0.000 1.126 37 W HN 0.204 nan 8.180 nan 0.000 0.535 38 L N 0.149 121.433 121.223 0.101 0.000 2.083 38 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 38 L C 2.108 178.988 176.870 0.017 0.000 1.083 38 L CA 1.897 56.762 54.840 0.043 0.000 0.752 38 L CB -0.684 41.373 42.059 -0.003 0.000 0.899 38 L HN 0.017 nan 8.230 nan 0.000 0.433 39 M N -1.516 118.071 119.600 -0.022 0.000 2.175 39 M HA -0.174 4.306 4.480 -0.000 0.000 0.264 39 M C 2.258 178.540 176.300 -0.029 0.000 1.063 39 M CA 1.633 56.911 55.300 -0.036 0.000 1.119 39 M CB -0.181 32.376 32.600 -0.073 0.000 1.377 39 M HN 0.262 nan 8.290 nan 0.000 0.415 40 S N 0.687 116.365 115.700 -0.036 0.000 2.368 40 S HA -0.050 4.420 4.470 -0.000 0.000 0.224 40 S C 1.736 176.353 174.600 0.028 0.000 1.029 40 S CA 1.081 59.266 58.200 -0.026 0.000 0.988 40 S CB -0.295 62.890 63.200 -0.025 0.000 0.838 40 S HN 0.386 nan 8.310 nan 0.000 0.462 41 I N 1.518 122.126 120.570 0.064 0.000 2.394 41 I HA -0.141 4.029 4.170 -0.000 0.000 0.251 41 I C 2.576 178.711 176.117 0.029 0.000 1.136 41 I CA 0.891 62.222 61.300 0.053 0.000 1.425 41 I CB -0.384 37.649 38.000 0.056 0.000 1.079 41 I HN 0.245 nan 8.210 nan 0.000 0.425 42 A N 0.933 123.765 122.820 0.019 0.000 1.930 42 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 42 A C 2.387 179.972 177.584 0.002 0.000 1.175 42 A CA 1.255 53.298 52.037 0.010 0.000 0.627 42 A CB -0.462 18.544 19.000 0.009 0.000 0.815 42 A HN 0.309 nan 8.150 nan 0.000 0.443 43 R N -1.131 119.366 120.500 -0.004 0.000 2.115 43 R HA -0.041 4.298 4.340 -0.000 0.000 0.230 43 R C 1.928 178.187 176.300 -0.068 0.000 1.111 43 R CA 1.281 57.362 56.100 -0.032 0.000 0.976 43 R CB -0.321 29.952 30.300 -0.045 0.000 0.870 43 R HN 0.421 nan 8.270 nan 0.000 0.445 44 M N 0.691 120.297 119.600 0.010 0.000 2.175 44 M HA -0.138 4.342 4.480 -0.000 0.000 0.264 44 M C 1.971 178.292 176.300 0.034 0.000 1.063 44 M CA 1.691 57.041 55.300 0.083 0.000 1.119 44 M CB -0.730 31.936 32.600 0.111 0.000 1.377 44 M HN 0.165 nan 8.290 nan 0.000 0.415 45 Q N -0.609 119.195 119.800 0.008 0.000 2.020 45 Q HA -0.069 4.271 4.340 -0.000 0.000 0.198 45 Q C 2.308 178.296 176.000 -0.020 0.000 0.974 45 Q CA 1.217 57.021 55.803 0.001 0.000 0.829 45 Q CB -0.154 28.586 28.738 0.002 0.000 0.894 45 Q HN 0.290 nan 8.270 nan 0.000 0.433 46 V N 0.698 120.592 119.914 -0.034 0.000 2.307 46 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 46 V C 2.053 178.094 176.094 -0.090 0.000 1.045 46 V CA 1.762 64.037 62.300 -0.041 0.000 1.024 46 V CB -0.306 31.509 31.823 -0.013 0.000 0.651 46 V HN 0.390 nan 8.190 nan 0.000 0.449 47 M N -1.259 118.221 119.600 -0.199 0.000 2.357 47 M HA 0.066 4.545 4.480 -0.000 0.000 0.266 47 M C 1.592 177.635 176.300 -0.429 0.000 1.095 47 M CA 1.123 56.196 55.300 -0.379 0.000 1.156 47 M CB -0.067 32.161 32.600 -0.620 0.000 1.365 47 M HN 0.367 nan 8.290 nan 0.000 0.447 48 H N -0.667 118.400 119.070 -0.005 0.000 2.672 48 H HA 0.364 4.920 4.556 -0.000 0.000 0.277 48 H C 1.191 176.510 175.328 -0.014 0.000 1.074 48 H CA 0.489 56.528 56.048 -0.015 0.000 1.173 48 H CB 0.224 29.974 29.762 -0.021 0.000 1.558 48 H HN 0.509 nan 8.280 nan 0.000 0.539 49 G N 1.484 110.315 108.800 0.052 0.000 2.179 49 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.257 49 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.257 49 G C 0.310 175.229 174.900 0.031 0.000 1.010 49 G CA 0.202 45.321 45.100 0.031 0.000 0.736 49 G HN 0.424 nan 8.290 nan 0.000 0.513 50 L N 0.347 121.595 121.223 0.042 0.000 2.499 50 L HA 0.195 4.535 4.340 -0.000 0.000 0.273 50 L C 0.005 176.882 176.870 0.011 0.000 1.195 50 L CA 0.268 55.125 54.840 0.030 0.000 0.882 50 L CB 0.497 42.579 42.059 0.039 0.000 1.133 50 L HN 0.198 nan 8.230 nan 0.000 0.483 51 Q N 7.105 126.906 119.800 0.002 0.000 2.398 51 Q HA 0.471 4.811 4.340 -0.000 0.000 0.251 51 Q C -0.781 175.213 176.000 -0.011 0.000 0.999 51 Q CA -0.042 55.758 55.803 -0.005 0.000 0.874 51 Q CB 2.247 30.980 28.738 -0.008 0.000 1.215 51 Q HN 0.635 nan 8.270 nan 0.000 0.470 52 I N 1.037 121.600 120.570 -0.010 0.000 2.680 52 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 52 I C -0.289 175.819 176.117 -0.014 0.000 1.244 52 I CA -0.410 60.880 61.300 -0.016 0.000 1.042 52 I CB 1.905 39.895 38.000 -0.016 0.000 1.277 52 I HN 0.593 nan 8.210 nan 0.000 0.423 53 S N 4.061 119.751 115.700 -0.018 0.000 2.600 53 S HA 0.190 4.660 4.470 -0.000 0.000 0.265 53 S C 0.595 175.186 174.600 -0.015 0.000 1.325 53 S CA -0.408 57.782 58.200 -0.017 0.000 1.002 53 S CB 1.137 64.325 63.200 -0.020 0.000 0.921 53 S HN 0.658 nan 8.310 nan 0.000 0.554 54 D N 1.229 121.621 120.400 -0.014 0.000 2.178 54 D HA -0.088 4.552 4.640 -0.000 0.000 0.201 54 D C 1.196 177.488 176.300 -0.014 0.000 0.980 54 D CA 1.562 55.555 54.000 -0.012 0.000 0.842 54 D CB -0.487 40.306 40.800 -0.012 0.000 0.948 54 D HN 0.697 nan 8.370 nan 0.000 0.472 55 D N 0.523 120.912 120.400 -0.018 0.000 2.097 55 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 55 D C 1.517 177.803 176.300 -0.024 0.000 0.984 55 D CA 0.872 54.859 54.000 -0.022 0.000 0.826 55 D CB -0.051 40.733 40.800 -0.026 0.000 0.973 55 D HN 0.072 nan 8.370 nan 0.000 0.460 56 D N -0.136 120.248 120.400 -0.027 0.000 2.219 56 D HA -0.085 4.555 4.640 -0.000 0.000 0.205 56 D C 1.921 178.204 176.300 -0.029 0.000 0.970 56 D CA 0.432 54.411 54.000 -0.035 0.000 0.851 56 D CB -0.060 40.715 40.800 -0.041 0.000 0.943 56 D HN 0.125 nan 8.370 nan 0.000 0.488 57 R N 0.793 121.282 120.500 -0.018 0.000 2.075 57 R HA -0.005 4.334 4.340 -0.000 0.000 0.232 57 R C 2.189 178.492 176.300 0.005 0.000 1.126 57 R CA 0.876 56.971 56.100 -0.007 0.000 0.963 57 R CB 0.141 30.440 30.300 -0.002 0.000 0.858 57 R HN 0.022 nan 8.270 nan 0.000 0.435 58 R N -0.663 119.842 120.500 0.007 0.000 2.120 58 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 58 R C 2.099 178.421 176.300 0.037 0.000 1.123 58 R CA 1.886 58.003 56.100 0.029 0.000 0.975 58 R CB -0.221 30.088 30.300 0.016 0.000 0.866 58 R HN 0.297 nan 8.270 nan 0.000 0.446 59 T N 1.383 115.941 114.554 0.007 0.000 2.777 59 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 59 T C 1.868 176.579 174.700 0.018 0.000 1.040 59 T CA 0.894 62.995 62.100 0.001 0.000 1.141 59 T CB -0.052 68.795 68.868 -0.035 0.000 0.868 59 T HN 0.131 nan 8.240 nan 0.000 0.444 60 L N 0.635 121.855 121.223 -0.006 0.000 2.072 60 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 60 L C 2.659 179.523 176.870 -0.010 0.000 1.079 60 L CA 0.716 55.550 54.840 -0.009 0.000 0.752 60 L CB -0.547 41.483 42.059 -0.048 0.000 0.906 60 L HN 0.135 nan 8.230 nan 0.000 0.436 61 V N 0.305 120.223 119.914 0.006 0.000 2.287 61 V HA -0.326 3.793 4.120 -0.000 0.000 0.248 61 V C 2.581 178.685 176.094 0.017 0.000 1.053 61 V CA 2.105 64.404 62.300 -0.000 0.000 1.027 61 V CB -0.531 31.308 31.823 0.028 0.000 0.646 61 V HN 0.406 nan 8.190 nan 0.000 0.447 62 K N 0.019 120.515 120.400 0.160 0.000 2.032 62 K HA -0.252 4.068 4.320 -0.000 0.000 0.209 62 K C 2.128 178.816 176.600 0.148 0.000 1.048 62 K CA 2.130 58.588 56.287 0.285 0.000 0.927 62 K CB -0.876 31.744 32.500 0.199 0.000 0.712 62 K HN 0.544 nan 8.250 nan 0.000 0.441 63 Y N 0.541 120.815 120.300 -0.044 0.000 2.145 63 Y HA -0.134 4.416 4.550 -0.000 0.000 0.286 63 Y C 1.648 177.437 175.900 -0.185 0.000 1.145 63 Y CA 1.969 60.014 58.100 -0.091 0.000 1.148 63 Y CB -0.043 38.351 38.460 -0.110 0.000 0.981 63 Y HN 0.040 nan 8.280 nan 0.000 0.507 64 L N -0.345 120.637 121.223 -0.401 0.000 2.156 64 L HA -0.107 4.232 4.340 -0.000 0.000 0.208 64 L C 2.734 179.146 176.870 -0.762 0.000 1.095 64 L CA 0.838 55.141 54.840 -0.894 0.000 0.770 64 L CB -0.766 40.398 42.059 -1.492 0.000 0.914 64 L HN 0.328 nan 8.230 nan 0.000 0.439 65 A N -0.152 122.452 122.820 -0.360 0.000 1.969 65 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 65 A C 1.816 179.471 177.584 0.118 0.000 1.169 65 A CA 1.792 53.838 52.037 0.014 0.000 0.635 65 A CB -0.329 18.677 19.000 0.010 0.000 0.810 65 A HN 0.306 nan 8.150 nan 0.000 0.445 66 D N -0.617 119.825 120.400 0.070 0.000 2.120 66 D HA -0.022 4.618 4.640 -0.000 0.000 0.202 66 D C 1.949 178.333 176.300 0.141 0.000 0.972 66 D CA 1.130 55.216 54.000 0.143 0.000 0.837 66 D CB -0.146 40.702 40.800 0.078 0.000 0.989 66 D HN 0.152 nan 8.370 nan 0.000 0.469 67 K N 0.226 120.575 120.400 -0.084 0.000 2.025 67 K HA 0.043 4.363 4.320 -0.000 0.000 0.207 67 K C 0.466 177.168 176.600 0.170 0.000 1.049 67 K CA 1.027 57.274 56.287 -0.067 0.000 0.933 67 K CB 0.099 32.345 32.500 -0.424 0.000 0.714 67 K HN 0.087 nan 8.250 nan 0.000 0.438 68 Q N -0.501 119.329 119.800 0.049 0.000 2.943 68 Q HA 0.370 4.709 4.340 -0.000 0.000 0.327 68 Q C -0.386 175.672 176.000 0.097 0.000 0.937 68 Q CA -0.542 55.312 55.803 0.086 0.000 0.914 68 Q CB 1.647 30.474 28.738 0.148 0.000 1.339 68 Q HN 0.237 nan 8.270 nan 0.000 0.417 69 G N 0.232 108.970 108.800 -0.103 0.000 2.795 69 G HA2 0.742 4.702 3.960 -0.000 0.000 0.267 69 G HA3 0.742 4.702 3.960 -0.000 0.000 0.267 69 G C -0.795 173.834 174.900 -0.451 0.000 1.362 69 G CA -0.619 44.440 45.100 -0.069 0.000 1.048 69 G HN 0.257 nan 8.290 nan 0.000 0.547 70 L N 0.238 121.392 121.223 -0.115 0.000 2.334 70 L HA 0.630 4.970 4.340 -0.000 0.000 0.273 70 L C 0.745 177.693 176.870 0.129 0.000 1.013 70 L CA -1.023 53.762 54.840 -0.091 0.000 0.816 70 L CB 1.837 43.873 42.059 -0.039 0.000 1.278 70 L HN 0.624 nan 8.230 nan 0.000 0.431 71 A N 3.157 126.055 122.820 0.130 0.000 2.366 71 A HA 0.360 4.680 4.320 -0.000 0.000 0.249 71 A C -1.787 175.563 177.584 -0.391 0.000 1.084 71 A CA -0.993 50.945 52.037 -0.165 0.000 0.794 71 A CB 0.002 19.064 19.000 0.104 0.000 1.034 71 A HN 0.612 nan 8.150 nan 0.000 0.491 72 P HA -0.192 nan 4.420 nan 0.000 0.216 72 P C 1.685 178.830 177.300 -0.259 0.000 1.153 72 P CA 2.318 64.959 63.100 -0.765 0.000 0.858 72 P CB 0.018 31.094 31.700 -1.040 0.000 0.789 73 S N -0.838 114.748 115.700 -0.191 0.000 2.474 73 S HA -0.123 4.347 4.470 -0.000 0.000 0.235 73 S C 1.647 176.252 174.600 0.008 0.000 0.997 73 S CA 0.924 59.092 58.200 -0.052 0.000 0.949 73 S CB -1.024 62.167 63.200 -0.016 0.000 0.766 73 S HN 0.268 nan 8.310 nan 0.000 0.517 74 E N 1.105 121.310 120.200 0.008 0.000 2.481 74 E HA -0.010 4.340 4.350 -0.000 0.000 0.195 74 E C 1.564 178.193 176.600 0.048 0.000 1.047 74 E CA 1.108 57.542 56.400 0.057 0.000 0.867 74 E CB -0.005 29.733 29.700 0.063 0.000 0.858 74 E HN 0.890 nan 8.360 nan 0.000 0.513 75 T N -2.092 112.484 114.554 0.037 0.000 3.040 75 T HA 0.033 4.382 4.350 -0.000 0.000 0.250 75 T C 0.440 175.169 174.700 0.049 0.000 1.058 75 T CA -0.441 61.684 62.100 0.041 0.000 0.988 75 T CB 0.062 68.977 68.868 0.079 0.000 0.993 75 T HN -0.223 nan 8.240 nan 0.000 0.519 76 D N 2.154 122.586 120.400 0.053 0.000 2.520 76 D HA 0.385 5.024 4.640 -0.000 0.000 0.243 76 D C 1.539 177.885 176.300 0.077 0.000 1.160 76 D CA 1.829 55.866 54.000 0.061 0.000 0.877 76 D CB 0.087 40.919 40.800 0.052 0.000 1.150 76 D HN 0.501 nan 8.370 nan 0.000 0.494 77 G N 1.577 110.431 108.800 0.090 0.000 2.199 77 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.254 77 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.254 77 G C 0.732 175.733 174.900 0.169 0.000 0.982 77 G CA 0.378 45.549 45.100 0.119 0.000 0.632 77 G HN 0.898 nan 8.290 nan 0.000 0.529 78 V N -2.748 117.194 119.914 0.046 0.000 3.078 78 V HA 0.478 4.597 4.120 -0.000 0.000 0.344 78 V C 1.707 177.576 176.094 -0.375 0.000 1.409 78 V CA 0.619 62.786 62.300 -0.222 0.000 1.146 78 V CB 0.115 31.876 31.823 -0.104 0.000 1.126 78 V HN 0.269 nan 8.190 nan 0.000 0.513 79 R N 0.407 120.839 120.500 -0.112 0.000 2.235 79 R HA -0.010 4.330 4.340 -0.000 0.000 0.213 79 R C 2.031 178.310 176.300 -0.036 0.000 1.059 79 R CA 1.688 57.762 56.100 -0.044 0.000 0.997 79 R CB -0.405 29.943 30.300 0.080 0.000 0.884 79 R HN 0.881 nan 8.270 nan 0.000 0.462 80 Y N -0.951 119.386 120.300 0.062 0.000 2.315 80 Y HA -0.066 4.483 4.550 -0.000 0.000 0.288 80 Y C 2.264 178.176 175.900 0.019 0.000 1.154 80 Y CA 0.604 58.731 58.100 0.045 0.000 1.229 80 Y CB -0.645 37.839 38.460 0.039 0.000 0.980 80 Y HN -0.085 nan 8.280 nan 0.000 0.540 81 A N 1.438 124.066 122.820 -0.320 0.000 1.877 81 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 81 A C 2.310 179.843 177.584 -0.086 0.000 1.186 81 A CA 2.108 54.045 52.037 -0.167 0.000 0.620 81 A CB -0.820 18.011 19.000 -0.282 0.000 0.822 81 A HN 0.584 nan 8.150 nan 0.000 0.443 82 M N -0.734 118.816 119.600 -0.083 0.000 2.229 82 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 82 M C 1.473 177.795 176.300 0.037 0.000 1.063 82 M CA 1.254 56.539 55.300 -0.024 0.000 1.114 82 M CB -0.313 32.277 32.600 -0.016 0.000 1.387 82 M HN 0.436 nan 8.290 nan 0.000 0.420 83 E N 0.208 120.437 120.200 0.048 0.000 2.502 83 E HA 0.001 4.351 4.350 -0.000 0.000 0.194 83 E C -0.165 176.346 176.600 -0.148 0.000 1.062 83 E CA -0.152 56.299 56.400 0.086 0.000 0.867 83 E CB 0.153 29.944 29.700 0.153 0.000 0.888 83 E HN 0.201 nan 8.360 nan 0.000 0.510 84 R N 0.539 120.924 120.500 -0.193 0.000 3.422 84 R HA -0.199 4.141 4.340 -0.000 0.000 0.267 84 R C -0.751 175.416 176.300 -0.222 0.000 1.074 84 R CA 0.552 56.460 56.100 -0.320 0.000 0.718 84 R CB -2.523 27.308 30.300 -0.782 0.000 1.157 84 R HN 0.300 nan 8.270 nan 0.000 0.440 85 R N 0.995 121.471 120.500 -0.040 0.000 3.235 85 R HA 0.138 4.478 4.340 -0.000 0.000 0.232 85 R C 1.082 177.397 176.300 0.026 0.000 1.475 85 R CA -0.475 55.627 56.100 0.004 0.000 1.405 85 R CB 0.232 30.584 30.300 0.088 0.000 1.266 85 R HN -0.054 nan 8.270 nan 0.000 0.650 86 L N 1.069 122.273 121.223 -0.032 0.000 2.551 86 L HA -0.077 4.263 4.340 -0.000 0.000 0.228 86 L C 1.237 178.086 176.870 -0.034 0.000 1.153 86 L CA 1.224 56.052 54.840 -0.019 0.000 0.851 86 L CB -0.293 41.736 42.059 -0.050 0.000 0.959 86 L HN 0.401 nan 8.230 nan 0.000 0.451 87 N N -1.528 117.138 118.700 -0.058 0.000 2.280 87 N HA 0.045 4.785 4.740 -0.000 0.000 0.192 87 N C 0.194 175.675 175.510 -0.047 0.000 1.109 87 N CA 0.126 53.133 53.050 -0.071 0.000 0.855 87 N CB 0.175 38.597 38.487 -0.109 0.000 0.974 87 N HN 0.181 nan 8.380 nan 0.000 0.482 88 T N 1.043 115.549 114.554 -0.079 0.000 2.902 88 T HA 0.110 4.460 4.350 -0.000 0.000 0.301 88 T C 0.495 175.116 174.700 -0.131 0.000 1.012 88 T CA 0.027 62.013 62.100 -0.190 0.000 1.151 88 T CB 1.394 69.958 68.868 -0.506 0.000 0.946 88 T HN -0.219 nan 8.240 nan 0.000 0.542 89 V N 5.391 125.242 119.914 -0.106 0.000 2.368 89 V HA 0.152 4.272 4.120 -0.000 0.000 0.266 89 V C 0.772 176.806 176.094 -0.100 0.000 1.045 89 V CA -0.554 61.721 62.300 -0.042 0.000 0.899 89 V CB 0.383 32.202 31.823 -0.006 0.000 1.006 89 V HN 0.837 nan 8.190 nan 0.000 0.470 90 E N 3.998 124.179 120.200 -0.031 0.000 2.383 90 E HA 0.223 4.573 4.350 -0.000 0.000 0.264 90 E C -0.486 176.102 176.600 -0.020 0.000 1.050 90 E CA -0.316 56.088 56.400 0.007 0.000 0.896 90 E CB 0.654 30.528 29.700 0.289 0.000 0.982 90 E HN 0.477 nan 8.360 nan 0.000 0.424 91 Q N 2.545 122.238 119.800 -0.178 0.000 2.674 91 Q HA 0.316 4.656 4.340 -0.000 0.000 0.249 91 Q C -1.336 174.475 176.000 -0.315 0.000 1.011 91 Q CA -0.170 55.531 55.803 -0.169 0.000 0.734 91 Q CB 0.301 28.948 28.738 -0.151 0.000 1.201 91 Q HN 0.368 nan 8.270 nan 0.000 0.498 92 F N 0.723 120.702 119.950 0.047 0.000 2.618 92 F HA 0.316 4.843 4.527 -0.000 0.000 0.332 92 F C 0.938 176.752 175.800 0.023 0.000 1.061 92 F CA -0.985 57.045 58.000 0.050 0.000 0.974 92 F CB 1.006 40.046 39.000 0.066 0.000 1.310 92 F HN 0.232 nan 8.300 nan 0.000 0.491 93 D N -0.922 119.616 120.400 0.231 0.000 2.378 93 D HA -0.007 4.633 4.640 -0.000 0.000 0.238 93 D C 1.084 177.437 176.300 0.089 0.000 1.180 93 D CA 0.407 54.472 54.000 0.108 0.000 0.895 93 D CB 0.917 41.756 40.800 0.064 0.000 1.192 93 D HN 0.713 nan 8.370 nan 0.000 0.438 94 T N -1.576 113.005 114.554 0.044 0.000 2.746 94 T HA -0.293 4.057 4.350 -0.000 0.000 0.267 94 T C 1.859 176.564 174.700 0.009 0.000 1.039 94 T CA 1.686 63.803 62.100 0.028 0.000 1.142 94 T CB -0.417 68.458 68.868 0.012 0.000 0.866 94 T HN 0.574 nan 8.240 nan 0.000 0.444 95 Q N -0.062 119.731 119.800 -0.011 0.000 2.096 95 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 95 Q C 2.348 178.316 176.000 -0.053 0.000 0.982 95 Q CA 1.391 57.168 55.803 -0.043 0.000 0.850 95 Q CB -0.263 28.436 28.738 -0.065 0.000 0.901 95 Q HN 0.506 nan 8.270 nan 0.000 0.422 96 L N 0.246 121.443 121.223 -0.043 0.000 2.027 96 L HA -0.124 4.216 4.340 -0.000 0.000 0.206 96 L C 2.128 178.956 176.870 -0.071 0.000 1.074 96 L CA 1.902 56.695 54.840 -0.078 0.000 0.745 96 L CB -0.925 41.087 42.059 -0.078 0.000 0.898 96 L HN 0.256 nan 8.230 nan 0.000 0.433 97 S N 0.120 115.815 115.700 -0.008 0.000 2.356 97 S HA -0.190 4.280 4.470 -0.000 0.000 0.223 97 S C 1.673 176.270 174.600 -0.004 0.000 1.032 97 S CA 1.530 59.736 58.200 0.010 0.000 1.005 97 S CB -0.165 63.078 63.200 0.071 0.000 0.867 97 S HN 0.516 nan 8.310 nan 0.000 0.449 98 E N 0.520 120.725 120.200 0.008 0.000 2.072 98 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 98 E C 2.171 178.807 176.600 0.059 0.000 0.982 98 E CA 1.483 57.898 56.400 0.025 0.000 0.803 98 E CB -0.264 29.453 29.700 0.028 0.000 0.755 98 E HN 0.455 nan 8.360 nan 0.000 0.453 99 T N 0.059 114.640 114.554 0.046 0.000 2.809 99 T HA -0.073 4.277 4.350 -0.000 0.000 0.260 99 T C 1.969 176.733 174.700 0.107 0.000 1.039 99 T CA 0.981 63.153 62.100 0.119 0.000 1.141 99 T CB -0.058 68.779 68.868 -0.050 0.000 0.869 99 T HN 0.245 nan 8.240 nan 0.000 0.437 100 C N 0.806 120.092 119.300 -0.023 0.000 3.228 100 C HA 0.533 4.993 4.460 -0.000 0.000 0.290 100 C C 2.158 177.037 174.990 -0.185 0.000 1.301 100 C CA -0.646 58.320 59.018 -0.087 0.000 1.703 100 C CB -0.439 27.250 27.740 -0.085 0.000 2.141 100 C HN 0.646 nan 8.230 nan 0.000 0.656 101 G N 1.039 109.749 108.800 -0.150 0.000 3.863 101 G HA2 0.161 4.121 3.960 -0.000 0.000 0.290 101 G HA3 0.161 4.121 3.960 -0.000 0.000 0.290 101 G C 1.199 176.032 174.900 -0.112 0.000 1.018 101 G CA -0.198 44.816 45.100 -0.144 0.000 0.824 101 G HN 0.656 nan 8.290 nan 0.000 0.507 102 R N -1.715 118.704 120.500 -0.136 0.000 2.280 102 R HA 0.302 4.642 4.340 -0.000 0.000 0.195 102 R C 1.285 177.508 176.300 -0.128 0.000 0.935 102 R CA 0.336 56.380 56.100 -0.093 0.000 1.033 102 R CB -0.433 29.832 30.300 -0.058 0.000 0.964 102 R HN 0.189 nan 8.270 nan 0.000 0.489 103 C N 0.279 119.439 119.300 -0.232 0.000 2.654 103 C HA 0.282 4.742 4.460 -0.000 0.000 0.288 103 C C 0.986 175.889 174.990 -0.145 0.000 1.578 103 C CA 0.283 59.167 59.018 -0.222 0.000 1.941 103 C CB -0.207 27.344 27.740 -0.315 0.000 1.856 103 C HN 0.663 nan 8.230 nan 0.000 0.706 104 H N 0.610 119.658 119.070 -0.036 0.000 2.748 104 H HA 0.602 5.157 4.556 -0.000 0.000 0.315 104 H C 0.269 175.597 175.328 0.001 0.000 1.429 104 H CA -0.136 55.902 56.048 -0.017 0.000 1.444 104 H CB -0.256 29.500 29.762 -0.011 0.000 1.827 104 H HN 0.286 nan 8.280 nan 0.000 0.754 105 S N -1.051 114.805 115.700 0.260 0.000 2.585 105 S HA 0.206 4.675 4.470 -0.000 0.000 0.273 105 S C 1.467 176.164 174.600 0.161 0.000 1.339 105 S CA -0.353 57.967 58.200 0.199 0.000 1.028 105 S CB 0.808 64.132 63.200 0.208 0.000 0.906 105 S HN 0.971 nan 8.310 nan 0.000 0.528 106 G N 0.479 109.292 108.800 0.022 0.000 2.534 106 G HA2 0.172 4.131 3.960 -0.000 0.000 0.217 106 G HA3 0.172 4.131 3.960 -0.000 0.000 0.217 106 G C 1.380 176.019 174.900 -0.434 0.000 1.128 106 G CA 0.378 45.218 45.100 -0.432 0.000 0.784 106 G HN 1.055 nan 8.290 nan 0.000 0.542 107 A N 0.818 123.669 122.820 0.052 0.000 1.969 107 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 107 A C 2.244 179.776 177.584 -0.088 0.000 1.169 107 A CA 1.569 53.655 52.037 0.081 0.000 0.635 107 A CB -0.384 18.599 19.000 -0.028 0.000 0.810 107 A HN 0.354 nan 8.150 nan 0.000 0.445 108 R N -0.217 120.240 120.500 -0.073 0.000 2.120 108 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 108 R C 1.674 177.894 176.300 -0.133 0.000 1.123 108 R CA 1.725 57.747 56.100 -0.129 0.000 0.975 108 R CB -0.272 29.912 30.300 -0.193 0.000 0.866 108 R HN 0.346 nan 8.270 nan 0.000 0.446 109 V N 0.590 120.433 119.914 -0.118 0.000 2.346 109 V HA -0.082 4.037 4.120 -0.000 0.000 0.244 109 V C 2.396 178.287 176.094 -0.339 0.000 1.037 109 V CA 1.686 63.924 62.300 -0.103 0.000 1.029 109 V CB -0.611 31.128 31.823 -0.140 0.000 0.663 109 V HN 0.473 nan 8.190 nan 0.000 0.454 110 A N -0.447 122.088 122.820 -0.475 0.000 2.125 110 A HA -0.023 4.296 4.320 -0.000 0.000 0.219 110 A C 1.886 179.208 177.584 -0.436 0.000 1.156 110 A CA 1.155 52.762 52.037 -0.717 0.000 0.671 110 A CB -0.524 18.401 19.000 -0.125 0.000 0.794 110 A HN 0.532 nan 8.150 nan 0.000 0.459 111 L N -0.395 120.665 121.223 -0.271 0.000 2.737 111 L HA 0.163 4.503 4.340 -0.000 0.000 0.236 111 L C 0.138 176.879 176.870 -0.215 0.000 1.219 111 L CA 0.038 54.757 54.840 -0.202 0.000 1.021 111 L CB -0.207 41.745 42.059 -0.178 0.000 1.291 111 L HN 0.439 nan 8.230 nan 0.000 0.470 112 Q N 0.088 119.762 119.800 -0.211 0.000 2.421 112 Q HA 0.538 4.878 4.340 -0.000 0.000 0.280 112 Q C -0.960 175.007 176.000 -0.055 0.000 1.085 112 Q CA -1.002 54.689 55.803 -0.188 0.000 0.807 112 Q CB 2.941 31.555 28.738 -0.207 0.000 1.405 112 Q HN 0.009 nan 8.270 nan 0.000 0.419 113 R N 1.795 122.226 120.500 -0.114 0.000 2.483 113 R HA 0.566 4.906 4.340 -0.000 0.000 0.303 113 R C -0.918 175.290 176.300 -0.153 0.000 0.987 113 R CA -0.370 55.738 56.100 0.012 0.000 0.881 113 R CB 1.669 31.954 30.300 -0.024 0.000 1.177 113 R HN 0.649 nan 8.270 nan 0.000 0.451 114 R N 2.300 122.693 120.500 -0.179 0.000 2.740 114 R HA 0.513 4.853 4.340 -0.000 0.000 0.273 114 R C -2.588 173.615 176.300 -0.161 0.000 0.998 114 R CA -1.913 53.932 56.100 -0.426 0.000 0.900 114 R CB 2.875 32.471 30.300 -1.174 0.000 1.223 114 R HN 0.312 nan 8.270 nan 0.000 0.466 115 P HA 0.069 nan 4.420 nan 0.000 0.276 115 P C 0.023 177.383 177.300 0.100 0.000 1.252 115 P CA -0.138 62.998 63.100 0.060 0.000 0.802 115 P CB 0.975 32.701 31.700 0.043 0.000 1.035 116 A N 1.646 124.571 122.820 0.175 0.000 1.958 116 A HA -0.259 4.061 4.320 -0.000 0.000 0.221 116 A C 2.149 179.793 177.584 0.099 0.000 1.178 116 A CA 2.543 54.701 52.037 0.201 0.000 0.642 116 A CB -1.235 17.836 19.000 0.118 0.000 0.816 116 A HN 0.529 nan 8.150 nan 0.000 0.453 117 K N -0.008 120.384 120.400 -0.013 0.000 2.148 117 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 117 K C 1.674 178.136 176.600 -0.230 0.000 1.050 117 K CA 1.672 57.864 56.287 -0.158 0.000 0.942 117 K CB -0.166 32.227 32.500 -0.179 0.000 0.724 117 K HN 0.442 nan 8.250 nan 0.000 0.446 118 E N -0.881 119.253 120.200 -0.109 0.000 2.208 118 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 118 E C 1.868 178.435 176.600 -0.055 0.000 0.988 118 E CA 0.873 57.224 56.400 -0.082 0.000 0.828 118 E CB -0.297 29.304 29.700 -0.165 0.000 0.763 118 E HN 0.475 nan 8.360 nan 0.000 0.478 119 W N 1.587 122.915 121.300 0.046 0.000 2.436 119 W HA -0.039 4.621 4.660 -0.000 0.000 0.284 119 W C 2.360 178.923 176.519 0.073 0.000 1.225 119 W CA 0.430 57.816 57.345 0.068 0.000 1.271 119 W CB 0.171 29.660 29.460 0.048 0.000 1.114 119 W HN 0.144 nan 8.180 nan 0.000 0.559 120 E N -0.418 119.915 120.200 0.223 0.000 2.072 120 E HA -0.224 4.126 4.350 -0.000 0.000 0.190 120 E C 1.948 178.662 176.600 0.191 0.000 0.982 120 E CA 1.142 57.621 56.400 0.133 0.000 0.803 120 E CB -0.185 29.513 29.700 -0.003 0.000 0.755 120 E HN 0.272 nan 8.360 nan 0.000 0.453 121 H N 0.631 119.801 119.070 0.167 0.000 2.387 121 H HA -0.145 4.411 4.556 -0.000 0.000 0.299 121 H C 2.252 177.734 175.328 0.256 0.000 1.099 121 H CA 1.289 57.435 56.048 0.164 0.000 1.315 121 H CB -0.397 29.425 29.762 0.100 0.000 1.380 121 H HN 0.257 nan 8.280 nan 0.000 0.513 122 L N 0.104 121.580 121.223 0.421 0.000 2.046 122 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 122 L C 2.251 179.525 176.870 0.673 0.000 1.077 122 L CA 0.903 56.060 54.840 0.528 0.000 0.747 122 L CB -0.321 42.036 42.059 0.497 0.000 0.896 122 L HN -0.020 nan 8.230 nan 0.000 0.432 123 V N 0.579 120.790 119.914 0.494 0.000 2.343 123 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 123 V C 2.306 178.673 176.094 0.455 0.000 1.051 123 V CA 2.100 64.672 62.300 0.455 0.000 1.036 123 V CB -0.901 31.089 31.823 0.278 0.000 0.654 123 V HN 0.548 nan 8.190 nan 0.000 0.451 124 N N -0.410 118.513 118.700 0.372 0.000 2.188 124 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 124 N C 1.840 177.509 175.510 0.265 0.000 1.018 124 N CA 1.707 54.933 53.050 0.292 0.000 0.858 124 N CB -0.256 38.384 38.487 0.255 0.000 0.989 124 N HN 0.600 nan 8.380 nan 0.000 0.426 125 F N 1.700 121.773 119.950 0.204 0.000 2.134 125 F HA -0.188 4.339 4.527 -0.000 0.000 0.299 125 F C 2.274 178.091 175.800 0.029 0.000 1.097 125 F CA 1.568 59.616 58.000 0.078 0.000 1.264 125 F CB -0.303 38.734 39.000 0.062 0.000 1.001 125 F HN 0.039 nan 8.300 nan 0.000 0.479 126 H N 0.291 119.299 119.070 -0.103 0.000 2.267 126 H HA -0.171 4.385 4.556 -0.000 0.000 0.297 126 H C 2.341 177.626 175.328 -0.073 0.000 1.080 126 H CA 2.380 58.401 56.048 -0.044 0.000 1.278 126 H CB -0.607 29.331 29.762 0.293 0.000 1.365 126 H HN 0.297 nan 8.280 nan 0.000 0.489 127 L N -0.148 121.154 121.223 0.131 0.000 2.201 127 L HA -0.083 4.256 4.340 -0.000 0.000 0.212 127 L C 2.295 179.144 176.870 -0.035 0.000 1.105 127 L CA 1.067 55.933 54.840 0.043 0.000 0.775 127 L CB -0.345 41.796 42.059 0.137 0.000 0.913 127 L HN 0.448 nan 8.230 nan 0.000 0.440 128 G N -1.342 107.394 108.800 -0.106 0.000 2.426 128 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.214 128 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.214 128 G C 1.411 176.120 174.900 -0.318 0.000 1.156 128 G CA 0.282 45.294 45.100 -0.147 0.000 0.802 128 G HN 0.278 nan 8.290 nan 0.000 0.534 129 Q N -0.888 118.506 119.800 -0.677 0.000 2.212 129 Q HA 0.065 4.405 4.340 -0.000 0.000 0.199 129 Q C 0.241 175.607 176.000 -1.057 0.000 0.950 129 Q CA 0.545 55.710 55.803 -1.063 0.000 0.863 129 Q CB 0.080 27.627 28.738 -1.985 0.000 0.944 129 Q HN 0.501 nan 8.270 nan 0.000 0.465 130 W N 0.200 121.365 121.300 -0.225 0.000 2.433 130 W HA 0.338 4.998 4.660 -0.000 0.000 0.288 130 W C -2.261 174.191 176.519 -0.111 0.000 0.986 130 W CA -2.195 55.061 57.345 -0.148 0.000 1.680 130 W CB 0.929 30.301 29.460 -0.147 0.000 1.615 130 W HN 0.126 nan 8.180 nan 0.000 0.416 131 P HA -0.222 nan 4.420 nan 0.000 0.218 131 P C 1.880 179.259 177.300 0.132 0.000 1.146 131 P CA 2.223 65.360 63.100 0.061 0.000 0.813 131 P CB 0.175 31.891 31.700 0.026 0.000 0.778 132 S N -1.241 114.520 115.700 0.102 0.000 2.515 132 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 132 S C 1.819 176.491 174.600 0.121 0.000 0.987 132 S CA 0.257 58.524 58.200 0.112 0.000 0.936 132 S CB -1.566 61.647 63.200 0.023 0.000 0.766 132 S HN 0.091 nan 8.310 nan 0.000 0.528 133 L N 2.514 123.747 121.223 0.017 0.000 2.010 133 L HA -0.262 4.078 4.340 -0.000 0.000 0.219 133 L C 2.633 179.307 176.870 -0.328 0.000 1.077 133 L CA 2.498 57.224 54.840 -0.190 0.000 0.773 133 L CB -0.594 41.286 42.059 -0.297 0.000 0.892 133 L HN 0.633 nan 8.230 nan 0.000 0.436 134 E N -2.047 117.980 120.200 -0.288 0.000 2.511 134 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 134 E C 0.901 177.323 176.600 -0.296 0.000 1.066 134 E CA 0.638 56.834 56.400 -0.340 0.000 0.871 134 E CB -0.211 29.331 29.700 -0.263 0.000 0.863 134 E HN 0.683 nan 8.360 nan 0.000 0.520 135 Y N 0.931 121.172 120.300 -0.098 0.000 2.481 135 Y HA 0.249 4.799 4.550 -0.000 0.000 0.247 135 Y C 0.825 176.693 175.900 -0.053 0.000 1.151 135 Y CA -0.493 57.577 58.100 -0.050 0.000 1.238 135 Y CB 0.666 39.105 38.460 -0.036 0.000 1.179 135 Y HN -0.022 nan 8.280 nan 0.000 0.524 136 Q N 0.555 120.380 119.800 0.041 0.000 2.249 136 Q HA 0.581 4.920 4.340 -0.000 0.000 0.226 136 Q C 0.108 176.103 176.000 -0.009 0.000 0.983 136 Q CA -0.709 55.093 55.803 -0.000 0.000 0.930 136 Q CB 0.950 29.656 28.738 -0.053 0.000 1.193 136 Q HN 0.289 nan 8.270 nan 0.000 0.508 137 A N 0.953 123.770 122.820 -0.005 0.000 2.531 137 A HA -0.048 4.272 4.320 -0.000 0.000 0.236 137 A C 0.016 177.605 177.584 0.008 0.000 1.062 137 A CA 0.385 52.425 52.037 0.004 0.000 0.760 137 A CB -0.113 18.887 19.000 0.001 0.000 0.995 137 A HN 0.897 nan 8.150 nan 0.000 0.501 138 Q N -0.747 119.071 119.800 0.029 0.000 2.460 138 Q HA -0.317 4.023 4.340 -0.000 0.000 0.248 138 Q C 0.720 176.793 176.000 0.122 0.000 0.847 138 Q CA 1.202 57.040 55.803 0.059 0.000 1.214 138 Q CB -2.066 26.702 28.738 0.050 0.000 1.523 138 Q HN 1.391 nan 8.270 nan 0.000 0.602 139 A N 0.090 122.962 122.820 0.087 0.000 1.780 139 A HA 0.095 4.415 4.320 -0.000 0.000 0.208 139 A C 1.468 179.094 177.584 0.070 0.000 1.761 139 A CA 0.400 52.513 52.037 0.126 0.000 1.183 139 A CB -0.027 18.884 19.000 -0.148 0.000 1.162 139 A HN 0.326 nan 8.150 nan 0.000 0.472 140 R N 1.037 121.542 120.500 0.008 0.000 2.285 140 R HA -0.088 4.252 4.340 -0.000 0.000 0.213 140 R C 0.530 176.835 176.300 0.009 0.000 1.068 140 R CA 1.678 57.769 56.100 -0.015 0.000 1.004 140 R CB -0.447 29.860 30.300 0.011 0.000 0.873 140 R HN 0.443 nan 8.270 nan 0.000 0.467 141 D N 1.134 121.552 120.400 0.030 0.000 2.340 141 D HA -0.052 4.588 4.640 -0.000 0.000 0.220 141 D C 0.460 176.777 176.300 0.028 0.000 1.039 141 D CA -0.007 54.009 54.000 0.026 0.000 0.866 141 D CB 0.050 40.866 40.800 0.027 0.000 0.913 141 D HN 0.519 nan 8.370 nan 0.000 0.523 142 R N -1.264 119.262 120.500 0.043 0.000 2.766 142 R HA 0.398 4.738 4.340 -0.000 0.000 0.270 142 R C -1.601 174.728 176.300 0.048 0.000 1.035 142 R CA -0.774 55.348 56.100 0.036 0.000 0.911 142 R CB 0.180 30.501 30.300 0.035 0.000 1.243 142 R HN -0.366 nan 8.270 nan 0.000 0.460 143 D N 1.305 121.718 120.400 0.022 0.000 2.517 143 D HA 0.064 4.704 4.640 -0.000 0.000 0.220 143 D C 0.319 176.640 176.300 0.037 0.000 1.158 143 D CA -0.194 53.821 54.000 0.026 0.000 0.992 143 D CB -0.175 40.621 40.800 -0.005 0.000 1.058 143 D HN 0.444 nan 8.370 nan 0.000 0.516 144 W N 2.275 123.542 121.300 -0.055 0.000 2.317 144 W HA -0.271 4.389 4.660 -0.000 0.000 0.318 144 W C 1.803 178.306 176.519 -0.027 0.000 1.227 144 W CA 1.052 58.370 57.345 -0.044 0.000 1.269 144 W CB -0.123 29.306 29.460 -0.051 0.000 1.155 144 W HN 0.341 nan 8.180 nan 0.000 0.484 145 L N 1.096 122.461 121.223 0.237 0.000 1.994 145 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 145 L C -0.658 176.160 176.870 -0.086 0.000 1.071 145 L CA 2.287 57.195 54.840 0.113 0.000 0.745 145 L CB -1.986 40.200 42.059 0.212 0.000 0.892 145 L HN -0.181 nan 8.230 nan 0.000 0.431 146 P HA -0.149 nan 4.420 nan 0.000 0.215 146 P C 2.086 179.304 177.300 -0.138 0.000 1.153 146 P CA 1.679 64.735 63.100 -0.073 0.000 0.853 146 P CB -0.014 31.661 31.700 -0.043 0.000 0.788 147 I N -0.795 119.657 120.570 -0.197 0.000 2.179 147 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 147 I C 2.314 178.231 176.117 -0.333 0.000 1.088 147 I CA 1.488 62.642 61.300 -0.243 0.000 1.357 147 I CB -0.790 37.050 38.000 -0.266 0.000 1.051 147 I HN -0.086 nan 8.210 nan 0.000 0.409 148 A N 0.848 123.350 122.820 -0.531 0.000 1.902 148 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 148 A C 2.274 179.683 177.584 -0.292 0.000 1.181 148 A CA 1.473 53.159 52.037 -0.585 0.000 0.623 148 A CB -0.756 17.595 19.000 -1.082 0.000 0.818 148 A HN 0.391 nan 8.150 nan 0.000 0.443 149 L N -1.581 119.524 121.223 -0.198 0.000 2.131 149 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 149 L C 2.739 179.561 176.870 -0.080 0.000 1.087 149 L CA 1.203 55.989 54.840 -0.090 0.000 0.767 149 L CB -0.397 41.638 42.059 -0.040 0.000 0.917 149 L HN 0.440 nan 8.230 nan 0.000 0.441 150 Q N -1.027 118.714 119.800 -0.098 0.000 2.302 150 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 150 Q C 1.934 177.880 176.000 -0.090 0.000 0.936 150 Q CA 0.805 56.562 55.803 -0.078 0.000 0.886 150 Q CB 0.364 29.062 28.738 -0.067 0.000 0.986 150 Q HN 0.427 nan 8.270 nan 0.000 0.487 151 Q N -1.065 118.662 119.800 -0.123 0.000 2.481 151 Q HA 0.038 4.378 4.340 -0.000 0.000 0.219 151 Q C 1.989 177.902 176.000 -0.145 0.000 0.920 151 Q CA 0.400 56.129 55.803 -0.124 0.000 0.915 151 Q CB 0.643 29.304 28.738 -0.128 0.000 1.057 151 Q HN 0.071 nan 8.270 nan 0.000 0.581 152 V N 0.087 119.890 119.914 -0.186 0.000 2.307 152 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 152 V C 2.094 178.063 176.094 -0.209 0.000 1.045 152 V CA 1.408 63.581 62.300 -0.211 0.000 1.024 152 V CB -0.532 31.137 31.823 -0.256 0.000 0.651 152 V HN 0.158 nan 8.190 nan 0.000 0.449 153 V N 0.490 120.315 119.914 -0.148 0.000 2.282 153 V HA -0.190 3.930 4.120 -0.000 0.000 0.249 153 V C 0.154 176.197 176.094 -0.086 0.000 1.057 153 V CA 2.742 64.993 62.300 -0.082 0.000 1.032 153 V CB -1.846 29.985 31.823 0.013 0.000 0.645 153 V HN 0.511 nan 8.190 nan 0.000 0.447 154 P HA -0.111 nan 4.420 nan 0.000 0.218 154 P C 1.217 178.458 177.300 -0.098 0.000 1.149 154 P CA 1.507 64.573 63.100 -0.056 0.000 0.817 154 P CB 0.042 31.711 31.700 -0.052 0.000 0.785 155 D N -0.840 119.468 120.400 -0.153 0.000 2.103 155 D HA -0.085 4.555 4.640 -0.000 0.000 0.199 155 D C 1.856 177.982 176.300 -0.291 0.000 0.978 155 D CA 0.945 54.830 54.000 -0.192 0.000 0.829 155 D CB -0.673 40.014 40.800 -0.188 0.000 0.981 155 D HN -0.004 nan 8.370 nan 0.000 0.464 156 L N 0.119 121.096 121.223 -0.410 0.000 2.083 156 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 156 L C 2.534 179.138 176.870 -0.444 0.000 1.083 156 L CA 1.225 55.644 54.840 -0.701 0.000 0.752 156 L CB -0.514 40.717 42.059 -1.380 0.000 0.899 156 L HN 0.063 nan 8.230 nan 0.000 0.433 157 A N -0.089 122.637 122.820 -0.158 0.000 1.969 157 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 157 A C 2.390 180.029 177.584 0.092 0.000 1.169 157 A CA 1.717 53.876 52.037 0.203 0.000 0.635 157 A CB -0.301 18.826 19.000 0.212 0.000 0.810 157 A HN 0.351 nan 8.150 nan 0.000 0.445 158 K N -0.402 119.976 120.400 -0.037 0.000 2.076 158 K HA -0.040 4.280 4.320 -0.000 0.000 0.204 158 K C 2.188 178.726 176.600 -0.103 0.000 1.051 158 K CA 0.900 57.156 56.287 -0.051 0.000 0.949 158 K CB -0.125 32.329 32.500 -0.076 0.000 0.726 158 K HN 0.400 nan 8.250 nan 0.000 0.443 159 R N -0.784 119.555 120.500 -0.269 0.000 2.093 159 R HA -0.048 4.292 4.340 -0.000 0.000 0.224 159 R C 0.340 176.386 176.300 -0.424 0.000 1.101 159 R CA 0.998 56.805 56.100 -0.489 0.000 0.979 159 R CB 0.076 29.815 30.300 -0.935 0.000 0.877 159 R HN 0.250 nan 8.270 nan 0.000 0.441 160 Y N 1.612 121.978 120.300 0.110 0.000 2.658 160 Y HA 0.347 4.897 4.550 -0.000 0.000 0.362 160 Y C -2.290 173.797 175.900 0.313 0.000 1.017 160 Y CA -2.680 55.551 58.100 0.219 0.000 1.134 160 Y CB 0.975 39.628 38.460 0.322 0.000 1.144 160 Y HN -0.025 nan 8.280 nan 0.000 0.655 161 P HA 0.049 nan 4.420 nan 0.000 0.279 161 P C 0.836 178.240 177.300 0.172 0.000 1.252 161 P CA -0.396 62.846 63.100 0.237 0.000 0.811 161 P CB 2.258 34.057 31.700 0.164 0.000 1.035 162 L N 0.089 121.386 121.223 0.123 0.000 1.989 162 L HA -0.060 4.280 4.340 -0.000 0.000 0.211 162 L C 1.083 178.022 176.870 0.116 0.000 1.071 162 L CA 1.949 56.832 54.840 0.071 0.000 0.749 162 L CB -0.198 41.905 42.059 0.073 0.000 0.890 162 L HN 0.480 nan 8.230 nan 0.000 0.431 163 E N 0.538 120.833 120.200 0.157 0.000 2.191 163 E HA 0.304 4.653 4.350 -0.000 0.000 0.278 163 E C -0.652 176.069 176.600 0.201 0.000 0.972 163 E CA -0.031 56.497 56.400 0.213 0.000 0.804 163 E CB 1.749 31.559 29.700 0.184 0.000 1.110 163 E HN 0.292 nan 8.360 nan 0.000 0.394 164 S N 0.394 116.246 115.700 0.254 0.000 2.570 164 S HA 0.582 5.051 4.470 -0.000 0.000 0.270 164 S C 0.558 175.285 174.600 0.213 0.000 1.149 164 S CA -0.237 58.091 58.200 0.212 0.000 0.837 164 S CB 1.460 64.790 63.200 0.217 0.000 1.124 164 S HN 0.366 nan 8.310 nan 0.000 0.465 165 A N 1.620 124.533 122.820 0.155 0.000 1.902 165 A HA 0.247 4.567 4.320 -0.000 0.000 0.217 165 A C 2.325 180.000 177.584 0.153 0.000 1.181 165 A CA 2.016 54.130 52.037 0.127 0.000 0.623 165 A CB -1.618 17.439 19.000 0.095 0.000 0.818 165 A HN 1.605 nan 8.150 nan 0.000 0.443 166 A N -1.179 121.751 122.820 0.183 0.000 1.883 166 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 166 A C 2.173 179.952 177.584 0.324 0.000 1.186 166 A CA 1.487 53.650 52.037 0.211 0.000 0.624 166 A CB -1.037 18.072 19.000 0.182 0.000 0.822 166 A HN 0.880 nan 8.150 nan 0.000 0.444 167 W N 0.456 121.845 121.300 0.149 0.000 2.388 167 W HA -0.104 4.556 4.660 -0.000 0.000 0.294 167 W C 2.306 178.944 176.519 0.199 0.000 1.212 167 W CA 1.319 58.782 57.345 0.196 0.000 1.271 167 W CB -0.066 29.488 29.460 0.155 0.000 1.126 167 W HN 0.450 nan 8.180 nan 0.000 0.535 168 A N 1.117 123.953 122.820 0.026 0.000 1.851 168 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 168 A C 1.691 179.201 177.584 -0.124 0.000 1.195 168 A CA 2.173 54.143 52.037 -0.111 0.000 0.622 168 A CB -1.115 17.892 19.000 0.011 0.000 0.831 168 A HN 0.404 nan 8.150 nan 0.000 0.444 169 E N -1.308 118.891 120.200 -0.001 0.000 2.150 169 E HA -0.170 4.179 4.350 -0.000 0.000 0.193 169 E C 1.781 178.391 176.600 0.017 0.000 0.985 169 E CA 0.933 57.341 56.400 0.013 0.000 0.814 169 E CB -0.206 29.538 29.700 0.073 0.000 0.752 169 E HN 0.819 nan 8.360 nan 0.000 0.466 170 W N 1.545 122.767 121.300 -0.130 0.000 2.388 170 W HA -0.205 4.455 4.660 -0.000 0.000 0.294 170 W C 1.448 177.830 176.519 -0.229 0.000 1.212 170 W CA 1.189 58.462 57.345 -0.121 0.000 1.271 170 W CB 0.068 29.529 29.460 0.002 0.000 1.126 170 W HN 0.137 nan 8.180 nan 0.000 0.535 171 Q N -0.007 119.478 119.800 -0.525 0.000 2.226 171 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 171 Q C 2.063 177.817 176.000 -0.408 0.000 0.975 171 Q CA 1.082 56.533 55.803 -0.587 0.000 0.866 171 Q CB -0.043 28.312 28.738 -0.638 0.000 0.915 171 Q HN 0.144 nan 8.270 nan 0.000 0.440 172 K N -0.437 119.770 120.400 -0.322 0.000 2.244 172 K HA 0.133 4.453 4.320 -0.000 0.000 0.200 172 K C 1.578 178.035 176.600 -0.239 0.000 1.052 172 K CA 0.808 56.958 56.287 -0.228 0.000 0.980 172 K CB 0.344 32.755 32.500 -0.147 0.000 0.838 172 K HN 0.033 nan 8.250 nan 0.000 0.481 173 A N 1.482 124.133 122.820 -0.283 0.000 2.275 173 A HA 0.020 4.340 4.320 -0.000 0.000 0.212 173 A C 1.016 178.314 177.584 -0.476 0.000 1.201 173 A CA -0.136 51.745 52.037 -0.260 0.000 0.843 173 A CB -0.204 18.731 19.000 -0.108 0.000 0.873 173 A HN 0.097 nan 8.150 nan 0.000 0.492 174 R N 2.021 122.040 120.500 -0.801 0.000 2.458 174 R HA 0.148 4.488 4.340 -0.000 0.000 0.303 174 R C -2.123 173.939 176.300 -0.397 0.000 1.013 174 R CA -0.934 54.568 56.100 -0.997 0.000 1.026 174 R CB 0.281 29.978 30.300 -1.004 0.000 0.948 174 R HN 0.233 nan 8.270 nan 0.000 0.417 175 P HA 0.119 nan 4.420 nan 0.000 0.274 175 P C -1.125 176.200 177.300 0.041 0.000 1.256 175 P CA -0.381 62.707 63.100 -0.019 0.000 0.795 175 P CB 0.955 32.709 31.700 0.090 0.000 1.038 176 K N -0.305 120.138 120.400 0.070 0.000 2.132 176 K HA 0.493 4.813 4.320 -0.000 0.000 0.241 176 K C 1.224 177.929 176.600 0.175 0.000 1.000 176 K CA -0.459 55.885 56.287 0.094 0.000 0.911 176 K CB 0.921 33.457 32.500 0.060 0.000 1.093 176 K HN 0.342 nan 8.250 nan 0.000 0.460 177 A N 1.299 124.235 122.820 0.194 0.000 2.067 177 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 177 A C 1.270 179.091 177.584 0.395 0.000 1.158 177 A CA 1.785 54.031 52.037 0.349 0.000 0.661 177 A CB -0.607 18.531 19.000 0.231 0.000 0.801 177 A HN 0.916 nan 8.150 nan 0.000 0.452 178 D N 0.048 120.592 120.400 0.240 0.000 2.378 178 D HA 0.110 4.750 4.640 -0.000 0.000 0.227 178 D C 1.239 177.670 176.300 0.218 0.000 1.012 178 D CA 0.953 55.087 54.000 0.223 0.000 0.905 178 D CB -0.249 40.631 40.800 0.133 0.000 0.895 178 D HN 0.337 nan 8.370 nan 0.000 0.532 179 A N -0.057 122.900 122.820 0.229 0.000 2.251 179 A HA 0.240 4.560 4.320 -0.000 0.000 0.209 179 A C 2.160 179.902 177.584 0.264 0.000 1.187 179 A CA -0.064 52.095 52.037 0.204 0.000 0.823 179 A CB -0.309 18.801 19.000 0.183 0.000 0.846 179 A HN 0.289 nan 8.150 nan 0.000 0.486 180 L N -0.954 120.460 121.223 0.318 0.000 2.357 180 L HA 0.131 4.471 4.340 -0.000 0.000 0.211 180 L C -1.860 175.230 176.870 0.366 0.000 1.075 180 L CA -0.453 54.594 54.840 0.346 0.000 0.830 180 L CB -1.044 41.080 42.059 0.107 0.000 0.996 180 L HN 0.066 nan 8.230 nan 0.000 0.467 181 P HA 0.197 nan 4.420 nan 0.000 0.267 181 P C 0.074 177.535 177.300 0.269 0.000 1.200 181 P CA 0.827 64.100 63.100 0.288 0.000 0.772 181 P CB 0.769 32.639 31.700 0.283 0.000 0.855 182 G N 0.990 109.947 108.800 0.262 0.000 2.346 182 G HA2 0.072 4.032 3.960 -0.000 0.000 0.294 182 G HA3 0.072 4.032 3.960 -0.000 0.000 0.294 182 G C -1.888 173.149 174.900 0.228 0.000 1.294 182 G CA -0.810 44.387 45.100 0.162 0.000 0.962 182 G HN 0.363 nan 8.290 nan 0.000 0.508 183 Q N -0.896 118.953 119.800 0.083 0.000 2.243 183 Q HA 0.568 4.908 4.340 -0.000 0.000 0.252 183 Q C -1.198 174.825 176.000 0.038 0.000 0.909 183 Q CA 0.029 55.910 55.803 0.130 0.000 0.922 183 Q CB 1.633 30.406 28.738 0.059 0.000 1.215 183 Q HN 0.500 nan 8.270 nan 0.000 0.427 184 W N 0.703 122.026 121.300 0.037 0.000 2.554 184 W HA 0.589 5.249 4.660 -0.000 0.000 0.324 184 W C -0.320 176.242 176.519 0.071 0.000 1.018 184 W CA -0.643 56.721 57.345 0.032 0.000 1.243 184 W CB 1.365 30.835 29.460 0.016 0.000 1.345 184 W HN 0.637 nan 8.180 nan 0.000 0.441 185 A N 4.701 127.615 122.820 0.156 0.000 2.401 185 A HA 0.718 5.037 4.320 -0.000 0.000 0.259 185 A C -0.941 176.690 177.584 0.078 0.000 1.103 185 A CA -0.161 51.906 52.037 0.050 0.000 0.789 185 A CB -0.077 18.891 19.000 -0.053 0.000 1.035 185 A HN 0.645 nan 8.150 nan 0.000 0.491 186 F N 1.078 120.971 119.950 -0.095 0.000 2.588 186 F HA 0.828 5.355 4.527 -0.000 0.000 0.314 186 F C -0.255 175.368 175.800 -0.296 0.000 1.069 186 F CA -0.747 57.069 58.000 -0.306 0.000 0.931 186 F CB 1.621 40.333 39.000 -0.480 0.000 1.260 186 F HN 0.495 nan 8.300 nan 0.000 0.465 187 S N 1.282 116.876 115.700 -0.176 0.000 2.570 187 S HA 0.954 5.424 4.470 -0.000 0.000 0.286 187 S C -0.645 173.889 174.600 -0.110 0.000 1.099 187 S CA 0.096 58.206 58.200 -0.149 0.000 0.913 187 S CB 1.521 64.638 63.200 -0.139 0.000 1.085 187 S HN 1.630 nan 8.310 nan 0.000 0.480 188 G N 1.770 110.557 108.800 -0.022 0.000 2.548 188 G HA2 0.521 4.481 3.960 -0.000 0.000 0.301 188 G HA3 0.521 4.481 3.960 -0.000 0.000 0.301 188 G C -2.082 172.896 174.900 0.129 0.000 1.349 188 G CA -0.454 44.672 45.100 0.043 0.000 0.792 188 G HN 0.850 nan 8.290 nan 0.000 0.481 189 H N -0.273 118.836 119.070 0.064 0.000 3.099 189 H HA 0.447 5.003 4.556 -0.000 0.000 0.342 189 H C -1.537 173.868 175.328 0.129 0.000 1.054 189 H CA -0.479 55.635 56.048 0.108 0.000 1.328 189 H CB 1.770 31.621 29.762 0.148 0.000 1.876 189 H HN 0.615 nan 8.280 nan 0.000 0.495 190 M N 6.163 125.611 119.600 -0.252 0.000 2.149 190 M HA 0.202 4.682 4.480 -0.000 0.000 0.342 190 M C -0.873 175.287 176.300 -0.234 0.000 1.068 190 M CA -1.035 54.211 55.300 -0.090 0.000 0.991 190 M CB 0.618 33.248 32.600 0.050 0.000 1.596 190 M HN 0.462 nan 8.290 nan 0.000 0.439 191 L N 5.696 126.903 121.223 -0.025 0.000 2.578 191 L HA 0.099 4.439 4.340 -0.000 0.000 0.279 191 L C 0.980 177.774 176.870 -0.127 0.000 1.227 191 L CA 1.960 56.780 54.840 -0.033 0.000 0.900 191 L CB 0.399 42.417 42.059 -0.068 0.000 1.144 191 L HN 1.012 nan 8.230 nan 0.000 0.496 192 A N 2.552 125.299 122.820 -0.122 0.000 2.861 192 A HA -0.301 4.019 4.320 -0.000 0.000 0.261 192 A C 1.517 179.027 177.584 -0.123 0.000 1.351 192 A CA 1.693 53.647 52.037 -0.138 0.000 0.904 192 A CB -1.753 17.117 19.000 -0.216 0.000 1.076 192 A HN 0.781 nan 8.150 nan 0.000 0.729 193 K N -2.350 117.961 120.400 -0.148 0.000 2.703 193 K HA 0.486 4.805 4.320 -0.000 0.000 0.196 193 K C 1.047 177.557 176.600 -0.150 0.000 1.457 193 K CA 2.171 58.346 56.287 -0.187 0.000 1.115 193 K CB 0.345 32.685 32.500 -0.265 0.000 1.661 193 K HN 2.219 nan 8.250 nan 0.000 0.552 194 G N 0.389 109.047 108.800 -0.238 0.000 2.343 194 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.562 194 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.562 194 G C -1.722 173.092 174.900 -0.143 0.000 1.269 194 G CA -0.433 44.583 45.100 -0.140 0.000 1.011 194 G HN 0.092 nan 8.290 nan 0.000 0.498 195 D N -0.870 119.605 120.400 0.125 0.000 2.368 195 D HA 0.508 5.148 4.640 -0.000 0.000 0.240 195 D C 0.086 176.403 176.300 0.028 0.000 1.169 195 D CA 0.446 54.529 54.000 0.139 0.000 0.906 195 D CB 1.851 42.738 40.800 0.145 0.000 1.187 195 D HN 0.753 nan 8.370 nan 0.000 0.435 196 V N 0.960 120.805 119.914 -0.115 0.000 3.012 196 V HA 0.675 4.795 4.120 -0.000 0.000 0.307 196 V C -1.416 174.548 176.094 -0.217 0.000 1.166 196 V CA -0.635 61.458 62.300 -0.345 0.000 0.974 196 V CB 2.371 33.702 31.823 -0.820 0.000 1.040 196 V HN 0.768 nan 8.190 nan 0.000 0.428 197 R N 3.808 124.129 120.500 -0.298 0.000 2.716 197 R HA 0.918 5.257 4.340 -0.000 0.000 0.271 197 R C -0.475 175.334 176.300 -0.818 0.000 1.028 197 R CA 0.163 55.938 56.100 -0.542 0.000 0.883 197 R CB 1.300 31.402 30.300 -0.330 0.000 1.250 197 R HN 1.899 nan 8.270 nan 0.000 0.465 198 G N -0.177 107.864 108.800 -1.264 0.000 2.368 198 G HA2 0.323 4.283 3.960 -0.000 0.000 0.269 198 G HA3 0.323 4.283 3.960 -0.000 0.000 0.269 198 G C -2.003 172.482 174.900 -0.693 0.000 1.291 198 G CA -0.080 44.511 45.100 -0.849 0.000 0.903 198 G HN 0.560 nan 8.290 nan 0.000 0.483 199 V N 0.656 120.531 119.914 -0.066 0.000 2.656 199 V HA 0.746 4.866 4.120 -0.000 0.000 0.307 199 V C -0.143 176.224 176.094 0.455 0.000 1.051 199 V CA -0.473 61.953 62.300 0.210 0.000 0.893 199 V CB 1.825 33.712 31.823 0.107 0.000 0.999 199 V HN 0.894 nan 8.190 nan 0.000 0.426 200 M N 3.401 123.295 119.600 0.489 0.000 2.114 200 M HA 0.500 4.980 4.480 -0.000 0.000 0.332 200 M C -0.278 176.189 176.300 0.279 0.000 1.014 200 M CA -0.097 55.411 55.300 0.348 0.000 0.956 200 M CB 1.429 34.192 32.600 0.270 0.000 1.551 200 M HN 0.704 nan 8.290 nan 0.000 0.427 201 S N 4.307 120.131 115.700 0.208 0.000 2.430 201 S HA 0.511 4.981 4.470 -0.000 0.000 0.289 201 S C -0.888 173.815 174.600 0.171 0.000 1.143 201 S CA -0.606 57.709 58.200 0.193 0.000 1.067 201 S CB 0.333 63.622 63.200 0.147 0.000 0.964 201 S HN 0.582 nan 8.310 nan 0.000 0.485 202 V N 6.204 126.237 119.914 0.198 0.000 2.334 202 V HA 0.478 4.598 4.120 -0.000 0.000 0.281 202 V C 0.439 176.662 176.094 0.214 0.000 1.016 202 V CA -0.690 61.705 62.300 0.158 0.000 0.832 202 V CB 1.134 32.961 31.823 0.007 0.000 0.999 202 V HN 0.970 nan 8.190 nan 0.000 0.439 203 T N 4.038 118.737 114.554 0.242 0.000 2.885 203 T HA 0.672 5.022 4.350 -0.000 0.000 0.285 203 T C -2.696 172.216 174.700 0.354 0.000 1.019 203 T CA -2.319 59.929 62.100 0.247 0.000 1.010 203 T CB 2.449 71.415 68.868 0.164 0.000 1.022 203 T HN 0.435 nan 8.240 nan 0.000 0.466 204 P HA 0.473 nan 4.420 nan 0.000 0.274 204 P C -0.838 176.493 177.300 0.051 0.000 1.246 204 P CA 0.132 63.363 63.100 0.217 0.000 0.795 204 P CB 0.870 32.655 31.700 0.143 0.000 1.006 205 D N -1.359 118.976 120.400 -0.108 0.000 2.921 205 D HA 0.141 4.781 4.640 -0.000 0.000 0.329 205 D C -0.986 175.212 176.300 -0.169 0.000 1.293 205 D CA -0.351 53.584 54.000 -0.109 0.000 0.964 205 D CB 0.465 41.203 40.800 -0.104 0.000 1.435 205 D HN 0.389 nan 8.370 nan 0.000 0.548 206 Q N 0.692 120.405 119.800 -0.144 0.000 2.262 206 Q HA 0.387 4.727 4.340 -0.000 0.000 0.298 206 Q C 1.044 176.927 176.000 -0.195 0.000 1.083 206 Q CA 0.515 56.235 55.803 -0.139 0.000 0.962 206 Q CB -0.041 28.631 28.738 -0.110 0.000 1.104 206 Q HN 0.669 nan 8.270 nan 0.000 0.376 207 G N 3.374 112.073 108.800 -0.168 0.000 2.634 207 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.318 207 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.318 207 G C 0.022 174.752 174.900 -0.284 0.000 1.207 207 G CA 0.379 45.371 45.100 -0.180 0.000 0.987 207 G HN 0.775 nan 8.290 nan 0.000 0.547 208 D N 1.908 122.126 120.400 -0.304 0.000 2.427 208 D HA 0.343 4.983 4.640 -0.000 0.000 0.224 208 D C 1.264 177.196 176.300 -0.614 0.000 1.157 208 D CA 1.017 54.781 54.000 -0.394 0.000 0.828 208 D CB 0.111 40.787 40.800 -0.208 0.000 0.974 208 D HN 0.745 nan 8.370 nan 0.000 0.498 209 T N -2.509 111.647 114.554 -0.662 0.000 2.952 209 T HA 0.728 5.078 4.350 -0.000 0.000 0.286 209 T C -0.193 174.040 174.700 -0.779 0.000 1.024 209 T CA -0.626 61.138 62.100 -0.561 0.000 1.029 209 T CB 1.570 70.250 68.868 -0.312 0.000 1.094 209 T HN -0.139 nan 8.240 nan 0.000 0.515 210 F N -0.940 118.917 119.950 -0.156 0.000 2.715 210 F HA 0.608 5.135 4.527 -0.000 0.000 0.318 210 F C 0.044 175.811 175.800 -0.055 0.000 1.141 210 F CA -1.446 56.518 58.000 -0.060 0.000 0.950 210 F CB 2.077 41.088 39.000 0.019 0.000 1.374 210 F HN 0.422 nan 8.300 nan 0.000 0.477 211 K N 1.032 121.572 120.400 0.233 0.000 2.138 211 K HA 0.809 5.129 4.320 -0.000 0.000 0.263 211 K C -1.467 175.229 176.600 0.161 0.000 0.965 211 K CA -0.828 55.537 56.287 0.130 0.000 0.868 211 K CB 2.353 34.911 32.500 0.097 0.000 1.083 211 K HN 0.324 nan 8.250 nan 0.000 0.443 212 V N 1.722 121.703 119.914 0.111 0.000 2.789 212 V HA 0.345 4.465 4.120 -0.000 0.000 0.311 212 V C -1.065 175.075 176.094 0.075 0.000 1.073 212 V CA -0.809 61.563 62.300 0.120 0.000 0.921 212 V CB 1.922 33.831 31.823 0.144 0.000 1.009 212 V HN 0.781 nan 8.190 nan 0.000 0.426 213 E N 2.295 122.547 120.200 0.086 0.000 2.265 213 E HA 0.616 4.966 4.350 -0.000 0.000 0.262 213 E C -1.722 174.935 176.600 0.095 0.000 0.889 213 E CA -0.328 56.115 56.400 0.071 0.000 0.789 213 E CB 2.003 31.753 29.700 0.082 0.000 1.221 213 E HN 0.452 nan 8.360 nan 0.000 0.414 214 V N 4.653 124.601 119.914 0.058 0.000 2.370 214 V HA 0.481 4.601 4.120 -0.000 0.000 0.283 214 V C -0.429 175.757 176.094 0.153 0.000 1.023 214 V CA -0.725 61.647 62.300 0.121 0.000 0.857 214 V CB 1.390 33.186 31.823 -0.046 0.000 0.985 214 V HN 0.519 nan 8.190 nan 0.000 0.443 215 K N 3.289 123.850 120.400 0.269 0.000 2.450 215 K HA 0.849 5.169 4.320 -0.000 0.000 0.257 215 K C 0.115 176.858 176.600 0.237 0.000 0.953 215 K CA 0.060 56.464 56.287 0.195 0.000 0.844 215 K CB 1.639 34.217 32.500 0.129 0.000 1.103 215 K HN 0.967 nan 8.250 nan 0.000 0.429 216 G N 0.343 109.281 108.800 0.229 0.000 2.341 216 G HA2 0.685 4.645 3.960 -0.000 0.000 0.299 216 G HA3 0.685 4.645 3.960 -0.000 0.000 0.299 216 G C -1.752 173.271 174.900 0.205 0.000 1.274 216 G CA -0.057 45.148 45.100 0.175 0.000 0.853 216 G HN 0.677 nan 8.290 nan 0.000 0.493 217 A N -1.746 121.145 122.820 0.117 0.000 2.586 217 A HA 0.791 5.111 4.320 -0.000 0.000 0.290 217 A C -1.689 175.889 177.584 -0.009 0.000 1.086 217 A CA -0.701 51.415 52.037 0.131 0.000 0.665 217 A CB 0.458 19.529 19.000 0.120 0.000 1.279 217 A HN 1.029 nan 8.150 nan 0.000 0.423 218 Y N -0.058 120.276 120.300 0.057 0.000 2.334 218 Y HA 0.446 4.996 4.550 -0.000 0.000 0.325 218 Y C 1.817 177.717 175.900 0.001 0.000 1.308 218 Y CA 0.801 58.899 58.100 -0.004 0.000 1.389 218 Y CB 1.149 39.604 38.460 -0.009 0.000 1.328 218 Y HN 0.837 nan 8.280 nan 0.000 0.532 219 A N 0.350 123.277 122.820 0.178 0.000 1.972 219 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 219 A C 1.658 179.299 177.584 0.094 0.000 1.169 219 A CA 1.921 54.017 52.037 0.098 0.000 0.635 219 A CB -0.787 18.267 19.000 0.090 0.000 0.810 219 A HN 0.868 nan 8.150 nan 0.000 0.446 220 D N -2.361 118.108 120.400 0.115 0.000 2.317 220 D HA 0.226 4.865 4.640 -0.000 0.000 0.211 220 D C 1.256 177.602 176.300 0.078 0.000 0.966 220 D CA 1.320 55.367 54.000 0.077 0.000 0.876 220 D CB -0.416 40.412 40.800 0.046 0.000 0.927 220 D HN 0.814 nan 8.370 nan 0.000 0.519 221 G N -0.737 108.131 108.800 0.112 0.000 2.231 221 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.206 221 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.206 221 G C 0.381 175.360 174.900 0.131 0.000 0.996 221 G CA 0.173 45.334 45.100 0.102 0.000 0.645 221 G HN 0.615 nan 8.290 nan 0.000 0.498 222 T N 3.176 117.825 114.554 0.159 0.000 2.888 222 T HA 0.505 4.855 4.350 -0.000 0.000 0.301 222 T C -1.984 172.906 174.700 0.315 0.000 1.001 222 T CA -0.580 61.628 62.100 0.180 0.000 1.147 222 T CB 0.810 69.730 68.868 0.085 0.000 0.931 222 T HN 0.110 nan 8.240 nan 0.000 0.541 223 P HA 0.194 nan 4.420 nan 0.000 0.269 223 P C -1.043 176.499 177.300 0.402 0.000 1.215 223 P CA -0.135 63.121 63.100 0.261 0.000 0.780 223 P CB 0.225 32.023 31.700 0.162 0.000 0.898 224 F N 2.423 122.462 119.950 0.149 0.000 2.646 224 F HA 0.349 4.876 4.527 -0.000 0.000 0.336 224 F C -0.812 175.073 175.800 0.141 0.000 1.437 224 F CA -0.562 57.523 58.000 0.141 0.000 1.142 224 F CB 0.072 39.099 39.000 0.046 0.000 1.530 224 F HN 0.095 nan 8.300 nan 0.000 0.591 225 N N 1.493 120.170 118.700 -0.039 0.000 2.372 225 N HA 0.781 5.521 4.740 -0.000 0.000 0.291 225 N C -0.148 175.279 175.510 -0.138 0.000 1.024 225 N CA -0.323 52.696 53.050 -0.052 0.000 0.873 225 N CB 2.190 40.692 38.487 0.024 0.000 1.206 225 N HN 0.563 nan 8.380 nan 0.000 0.486 226 G N -0.835 107.883 108.800 -0.136 0.000 2.608 226 G HA2 0.510 4.470 3.960 -0.000 0.000 0.291 226 G HA3 0.510 4.470 3.960 -0.000 0.000 0.291 226 G C -1.659 173.197 174.900 -0.075 0.000 1.425 226 G CA -0.372 44.648 45.100 -0.133 0.000 0.787 226 G HN 0.413 nan 8.290 nan 0.000 0.484 227 S N -1.409 114.254 115.700 -0.062 0.000 2.549 227 S HA 0.929 5.399 4.470 -0.000 0.000 0.280 227 S C 0.088 174.663 174.600 -0.042 0.000 1.109 227 S CA 0.625 58.806 58.200 -0.032 0.000 0.905 227 S CB 1.578 64.768 63.200 -0.015 0.000 1.081 227 S HN 2.222 nan 8.310 nan 0.000 0.477 228 G N 1.675 110.459 108.800 -0.026 0.000 2.500 228 G HA2 0.643 4.602 3.960 -0.000 0.000 0.299 228 G HA3 0.643 4.602 3.960 -0.000 0.000 0.299 228 G C -1.059 173.824 174.900 -0.028 0.000 1.242 228 G CA 0.042 45.116 45.100 -0.042 0.000 0.859 228 G HN 1.601 nan 8.290 nan 0.000 0.481 229 S N -1.592 114.071 115.700 -0.062 0.000 2.685 229 S HA 0.972 5.441 4.470 -0.000 0.000 0.282 229 S C -0.517 173.980 174.600 -0.172 0.000 1.159 229 S CA 0.039 58.196 58.200 -0.072 0.000 0.833 229 S CB 1.752 64.903 63.200 -0.080 0.000 1.151 229 S HN 2.464 nan 8.310 nan 0.000 0.485 230 A N 0.312 122.987 122.820 -0.242 0.000 2.612 230 A HA 0.811 5.131 4.320 -0.000 0.000 0.293 230 A C -1.474 175.830 177.584 -0.468 0.000 1.075 230 A CA -0.846 50.851 52.037 -0.567 0.000 0.680 230 A CB 0.925 19.183 19.000 -1.238 0.000 1.279 230 A HN 0.862 nan 8.150 nan 0.000 0.411 231 I N 1.287 121.499 120.570 -0.596 0.000 2.689 231 I HA 0.478 4.648 4.170 -0.000 0.000 0.299 231 I C -0.949 174.842 176.117 -0.543 0.000 1.059 231 I CA -0.813 60.179 61.300 -0.515 0.000 1.055 231 I CB 2.003 39.641 38.000 -0.604 0.000 1.243 231 I HN 0.527 nan 8.210 nan 0.000 0.425 232 L N 5.841 126.856 121.223 -0.345 0.000 2.319 232 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 232 L C -1.522 175.236 176.870 -0.186 0.000 1.005 232 L CA -0.374 54.402 54.840 -0.106 0.000 0.828 232 L CB 1.124 43.339 42.059 0.261 0.000 1.227 232 L HN 0.540 nan 8.230 nan 0.000 0.415 233 Y N 3.947 124.268 120.300 0.036 0.000 2.361 233 Y HA 0.224 4.774 4.550 -0.000 0.000 0.332 233 Y C 1.331 177.294 175.900 0.105 0.000 1.101 233 Y CA -0.246 57.879 58.100 0.042 0.000 1.137 233 Y CB 0.855 39.311 38.460 -0.007 0.000 1.207 233 Y HN 0.775 nan 8.280 nan 0.000 0.463 234 N N 1.534 120.454 118.700 0.366 0.000 2.678 234 N HA -0.244 4.496 4.740 -0.000 0.000 0.249 234 N C 0.924 176.859 175.510 0.708 0.000 1.119 234 N CA 1.490 54.849 53.050 0.515 0.000 0.718 234 N CB -1.063 37.763 38.487 0.565 0.000 1.060 234 N HN 1.172 nan 8.380 nan 0.000 0.552 235 G N -1.557 107.535 108.800 0.487 0.000 2.184 235 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.264 235 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.264 235 G C 0.431 175.751 174.900 0.700 0.000 0.975 235 G CA 1.291 46.704 45.100 0.520 0.000 0.642 235 G HN 1.187 nan 8.290 nan 0.000 0.536 236 Y N -2.987 117.603 120.300 0.484 0.000 2.449 236 Y HA 0.526 5.075 4.550 -0.000 0.000 0.283 236 Y C 0.483 176.587 175.900 0.339 0.000 1.079 236 Y CA -0.013 58.326 58.100 0.397 0.000 1.099 236 Y CB 0.310 38.977 38.460 0.345 0.000 1.354 236 Y HN 0.075 nan 8.280 nan 0.000 0.569 237 E N 3.316 123.326 120.200 -0.316 0.000 1.858 237 E HA -0.058 4.292 4.350 -0.000 0.000 0.267 237 E C -1.058 175.633 176.600 0.151 0.000 1.215 237 E CA -0.025 56.264 56.400 -0.185 0.000 0.952 237 E CB 0.009 29.548 29.700 -0.268 0.000 1.058 237 E HN 0.443 nan 8.360 nan 0.000 0.407 238 W N 5.418 126.723 121.300 0.008 0.000 2.345 238 W HA 0.154 4.814 4.660 -0.000 0.000 0.308 238 W C -0.754 175.700 176.519 -0.110 0.000 1.273 238 W CA -0.408 56.921 57.345 -0.027 0.000 1.243 238 W CB 0.601 30.050 29.460 -0.018 0.000 1.260 238 W HN 0.173 nan 8.180 nan 0.000 0.509 239 R N 4.703 124.944 120.500 -0.432 0.000 2.451 239 R HA 0.555 4.895 4.340 -0.000 0.000 0.307 239 R C -0.037 175.885 176.300 -0.629 0.000 0.965 239 R CA -0.547 55.343 56.100 -0.351 0.000 0.865 239 R CB 1.350 31.631 30.300 -0.030 0.000 1.174 239 R HN 0.687 nan 8.270 nan 0.000 0.455 240 G N 1.021 109.496 108.800 -0.543 0.000 2.680 240 G HA2 0.340 4.299 3.960 -0.000 0.000 0.290 240 G HA3 0.340 4.299 3.960 -0.000 0.000 0.290 240 G C -1.303 173.418 174.900 -0.299 0.000 1.355 240 G CA -0.499 44.333 45.100 -0.446 0.000 0.903 240 G HN 0.419 nan 8.290 nan 0.000 0.474 241 N N 0.161 118.726 118.700 -0.225 0.000 2.461 241 N HA 0.416 5.156 4.740 -0.000 0.000 0.284 241 N C -1.611 173.814 175.510 -0.142 0.000 1.049 241 N CA -0.256 52.680 53.050 -0.190 0.000 0.889 241 N CB 2.285 40.676 38.487 -0.159 0.000 1.365 241 N HN 0.186 nan 8.380 nan 0.000 0.499 242 V N 3.247 123.074 119.914 -0.145 0.000 2.378 242 V HA 0.233 4.352 4.120 -0.000 0.000 0.288 242 V C 0.177 176.196 176.094 -0.124 0.000 1.016 242 V CA -0.858 61.367 62.300 -0.124 0.000 0.840 242 V CB 1.336 33.077 31.823 -0.138 0.000 0.994 242 V HN 0.566 nan 8.190 nan 0.000 0.431 243 K N 4.944 125.284 120.400 -0.099 0.000 2.228 243 K HA 0.311 4.631 4.320 -0.000 0.000 0.284 243 K C -0.837 175.702 176.600 -0.102 0.000 1.088 243 K CA 0.104 56.342 56.287 -0.081 0.000 0.941 243 K CB 0.287 32.753 32.500 -0.056 0.000 1.158 243 K HN 0.449 nan 8.250 nan 0.000 0.438 244 V N 5.452 125.292 119.914 -0.123 0.000 2.294 244 V HA 0.504 4.624 4.120 -0.000 0.000 0.272 244 V C 1.158 177.215 176.094 -0.063 0.000 1.027 244 V CA 0.294 62.490 62.300 -0.173 0.000 0.823 244 V CB -0.028 31.570 31.823 -0.375 0.000 1.030 244 V HN 1.039 nan 8.190 nan 0.000 0.457 245 G N 5.575 114.352 108.800 -0.039 0.000 2.720 245 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.293 245 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.293 245 G C 0.261 175.163 174.900 0.004 0.000 1.256 245 G CA 0.694 45.796 45.100 0.004 0.000 0.974 245 G HN 0.678 nan 8.290 nan 0.000 0.551 246 D N 1.766 122.176 120.400 0.016 0.000 2.469 246 D HA 0.588 5.228 4.640 -0.000 0.000 0.215 246 D C 0.586 176.898 176.300 0.020 0.000 1.154 246 D CA 0.793 54.802 54.000 0.015 0.000 0.832 246 D CB 1.015 41.826 40.800 0.018 0.000 1.008 246 D HN 0.768 nan 8.370 nan 0.000 0.506 247 A N 0.463 123.296 122.820 0.022 0.000 2.365 247 A HA 0.517 4.837 4.320 -0.000 0.000 0.318 247 A C -0.630 176.956 177.584 0.003 0.000 1.091 247 A CA -0.783 51.273 52.037 0.032 0.000 0.763 247 A CB 1.113 20.151 19.000 0.064 0.000 1.248 247 A HN -0.025 nan 8.150 nan 0.000 0.442 248 N N 1.857 120.554 118.700 -0.004 0.000 2.419 248 N HA 0.382 5.122 4.740 -0.000 0.000 0.264 248 N C -1.174 174.299 175.510 -0.062 0.000 1.031 248 N CA 0.028 53.051 53.050 -0.044 0.000 0.951 248 N CB 1.003 39.460 38.487 -0.050 0.000 1.101 248 N HN 0.533 nan 8.380 nan 0.000 0.488 249 L N 2.837 123.999 121.223 -0.101 0.000 2.296 249 L HA 0.447 4.787 4.340 -0.000 0.000 0.286 249 L C 0.375 177.073 176.870 -0.287 0.000 1.023 249 L CA -0.843 53.908 54.840 -0.149 0.000 0.812 249 L CB 1.475 43.498 42.059 -0.059 0.000 1.223 249 L HN 0.206 nan 8.230 nan 0.000 0.421 250 R N 2.055 122.245 120.500 -0.515 0.000 2.410 250 R HA 0.353 4.693 4.340 -0.000 0.000 0.288 250 R C -0.653 175.218 176.300 -0.714 0.000 1.051 250 R CA -0.170 55.540 56.100 -0.650 0.000 1.021 250 R CB 0.863 30.622 30.300 -0.902 0.000 1.032 250 R HN 0.489 nan 8.270 nan 0.000 0.481 251 Q N 1.323 120.769 119.800 -0.590 0.000 2.333 251 Q HA 0.452 4.792 4.340 -0.000 0.000 0.268 251 Q C -1.121 174.457 176.000 -0.702 0.000 1.007 251 Q CA -0.774 54.531 55.803 -0.829 0.000 0.810 251 Q CB 2.538 30.698 28.738 -0.965 0.000 1.264 251 Q HN 0.220 nan 8.270 nan 0.000 0.452 252 V N 4.676 124.260 119.914 -0.550 0.000 2.289 252 V HA 0.418 4.538 4.120 -0.000 0.000 0.272 252 V C -1.113 175.008 176.094 0.046 0.000 1.026 252 V CA -0.437 61.780 62.300 -0.138 0.000 0.807 252 V CB -0.239 31.662 31.823 0.131 0.000 1.044 252 V HN 0.557 nan 8.190 nan 0.000 0.443 253 F N 1.789 121.852 119.950 0.188 0.000 2.598 253 F HA 0.871 5.398 4.527 -0.000 0.000 0.327 253 F C 0.412 176.311 175.800 0.165 0.000 1.057 253 F CA -1.932 56.139 58.000 0.117 0.000 0.957 253 F CB 1.841 40.790 39.000 -0.084 0.000 1.278 253 F HN 0.363 nan 8.300 nan 0.000 0.484 254 A N 0.925 123.973 122.820 0.381 0.000 2.273 254 A HA 0.782 5.102 4.320 -0.000 0.000 0.315 254 A C -0.722 177.052 177.584 0.317 0.000 1.256 254 A CA -0.595 51.661 52.037 0.365 0.000 0.851 254 A CB 0.170 19.383 19.000 0.355 0.000 1.172 254 A HN 0.905 nan 8.150 nan 0.000 0.508 255 A N 3.596 126.622 122.820 0.344 0.000 2.294 255 A HA 0.676 4.996 4.320 -0.000 0.000 0.316 255 A C -0.596 177.198 177.584 0.350 0.000 1.359 255 A CA -0.147 52.049 52.037 0.266 0.000 0.956 255 A CB -0.245 18.875 19.000 0.201 0.000 1.155 255 A HN 0.819 nan 8.150 nan 0.000 0.544 256 L N 1.891 123.289 121.223 0.292 0.000 2.436 256 L HA 0.371 4.711 4.340 -0.000 0.000 0.268 256 L C -0.256 176.744 176.870 0.216 0.000 0.974 256 L CA -0.705 54.291 54.840 0.260 0.000 0.826 256 L CB 2.082 44.249 42.059 0.180 0.000 1.291 256 L HN 0.870 nan 8.230 nan 0.000 0.406 257 D N 3.061 123.581 120.400 0.200 0.000 2.697 257 D HA -0.173 4.467 4.640 -0.000 0.000 0.238 257 D C 1.020 177.386 176.300 0.110 0.000 1.152 257 D CA 1.465 55.547 54.000 0.137 0.000 0.666 257 D CB -0.537 40.324 40.800 0.102 0.000 1.037 257 D HN 1.098 nan 8.370 nan 0.000 0.423 258 G N 0.291 109.182 108.800 0.151 0.000 2.225 258 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.267 258 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.267 258 G C 0.052 174.982 174.900 0.050 0.000 1.024 258 G CA 0.649 45.760 45.100 0.017 0.000 0.784 258 G HN 0.750 nan 8.290 nan 0.000 0.507 259 E N -0.802 119.597 120.200 0.331 0.000 2.308 259 E HA 0.638 4.987 4.350 -0.000 0.000 0.275 259 E C -0.321 176.479 176.600 0.335 0.000 0.890 259 E CA -0.979 55.625 56.400 0.340 0.000 0.754 259 E CB 0.932 30.723 29.700 0.151 0.000 1.207 259 E HN 0.202 nan 8.360 nan 0.000 0.426 260 M N 3.616 123.358 119.600 0.237 0.000 2.181 260 M HA 0.403 4.883 4.480 -0.000 0.000 0.323 260 M C -1.156 175.114 176.300 -0.050 0.000 1.004 260 M CA -0.597 54.688 55.300 -0.024 0.000 0.941 260 M CB 1.735 34.101 32.600 -0.390 0.000 1.579 260 M HN 0.204 nan 8.290 nan 0.000 0.427 261 K N 1.686 122.111 120.400 0.042 0.000 2.345 261 K HA 0.906 5.226 4.320 -0.000 0.000 0.255 261 K C -0.111 176.605 176.600 0.193 0.000 0.934 261 K CA -0.517 55.816 56.287 0.076 0.000 0.801 261 K CB 2.431 34.993 32.500 0.104 0.000 1.137 261 K HN 0.848 nan 8.250 nan 0.000 0.424 262 G N 1.155 110.104 108.800 0.248 0.000 2.441 262 G HA2 0.282 4.242 3.960 -0.000 0.000 0.225 262 G HA3 0.282 4.242 3.960 -0.000 0.000 0.225 262 G C -1.732 173.464 174.900 0.494 0.000 1.200 262 G CA -0.778 44.602 45.100 0.467 0.000 0.947 262 G HN 0.456 nan 8.290 nan 0.000 0.484 263 R N -0.610 120.245 120.500 0.591 0.000 2.673 263 R HA 0.737 5.077 4.340 -0.000 0.000 0.281 263 R C -1.451 175.120 176.300 0.452 0.000 0.991 263 R CA -0.774 55.622 56.100 0.493 0.000 0.896 263 R CB 1.875 32.408 30.300 0.388 0.000 1.201 263 R HN 0.550 nan 8.270 nan 0.000 0.457 264 M N 5.629 125.455 119.600 0.378 0.000 2.085 264 M HA 0.403 4.883 4.480 -0.000 0.000 0.309 264 M C -1.640 174.797 176.300 0.228 0.000 0.947 264 M CA -0.681 54.710 55.300 0.152 0.000 0.918 264 M CB 0.996 33.687 32.600 0.152 0.000 1.504 264 M HN 0.571 nan 8.290 nan 0.000 0.420 265 F N 0.556 120.547 119.950 0.069 0.000 2.611 265 F HA 0.664 5.191 4.527 -0.000 0.000 0.324 265 F C -0.548 175.292 175.800 0.066 0.000 1.061 265 F CA -1.186 56.861 58.000 0.077 0.000 0.954 265 F CB 0.830 39.866 39.000 0.060 0.000 1.301 265 F HN 0.361 nan 8.300 nan 0.000 0.482 266 E N 0.809 121.177 120.200 0.280 0.000 2.376 266 E HA 0.263 4.613 4.350 -0.000 0.000 0.266 266 E C 0.797 177.515 176.600 0.196 0.000 1.009 266 E CA 0.202 56.714 56.400 0.187 0.000 0.902 266 E CB 1.524 31.384 29.700 0.267 0.000 0.972 266 E HN 0.847 nan 8.360 nan 0.000 0.439 267 A N 4.203 127.039 122.820 0.027 0.000 1.958 267 A HA -0.276 4.044 4.320 -0.000 0.000 0.221 267 A C 1.577 179.188 177.584 0.045 0.000 1.178 267 A CA 1.840 53.882 52.037 0.009 0.000 0.642 267 A CB -0.237 18.734 19.000 -0.047 0.000 0.816 267 A HN 0.587 nan 8.150 nan 0.000 0.453 268 E N -0.903 119.277 120.200 -0.032 0.000 2.452 268 E HA 0.097 4.447 4.350 -0.000 0.000 0.197 268 E C -0.149 176.123 176.600 -0.546 0.000 1.022 268 E CA 0.403 56.630 56.400 -0.287 0.000 0.890 268 E CB 0.203 29.667 29.700 -0.393 0.000 0.918 268 E HN 0.744 nan 8.360 nan 0.000 0.496 269 H N 0.632 119.759 119.070 0.095 0.000 3.036 269 H HA 0.099 4.655 4.556 -0.000 0.000 0.295 269 H C -0.655 174.733 175.328 0.100 0.000 1.124 269 H CA -0.440 55.646 56.048 0.062 0.000 1.507 269 H CB 1.010 30.795 29.762 0.038 0.000 1.591 269 H HN 0.141 nan 8.280 nan 0.000 0.510 270 D N 0.518 120.971 120.400 0.088 0.000 2.363 270 D HA -0.110 4.530 4.640 -0.000 0.000 0.226 270 D C 0.790 177.040 176.300 -0.084 0.000 1.020 270 D CA 0.324 54.276 54.000 -0.080 0.000 0.892 270 D CB 0.370 40.916 40.800 -0.423 0.000 0.900 270 D HN 0.420 nan 8.370 nan 0.000 0.531 271 E N 0.340 120.534 120.200 -0.011 0.000 2.385 271 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 271 E C 0.313 176.903 176.600 -0.016 0.000 1.013 271 E CA 0.172 56.543 56.400 -0.048 0.000 0.866 271 E CB -0.107 29.548 29.700 -0.075 0.000 0.832 271 E HN 0.233 nan 8.360 nan 0.000 0.500 272 R N 1.231 121.765 120.500 0.056 0.000 2.565 272 R HA 0.617 4.956 4.340 -0.000 0.000 0.286 272 R C -0.070 176.323 176.300 0.156 0.000 1.256 272 R CA -0.174 55.966 56.100 0.067 0.000 1.238 272 R CB 0.951 31.282 30.300 0.053 0.000 1.153 272 R HN 0.116 nan 8.270 nan 0.000 0.553 273 G N 1.747 110.633 108.800 0.145 0.000 2.687 273 G HA2 0.625 4.585 3.960 -0.000 0.000 0.291 273 G HA3 0.625 4.585 3.960 -0.000 0.000 0.291 273 G C -1.452 173.560 174.900 0.187 0.000 1.420 273 G CA -0.890 44.346 45.100 0.227 0.000 0.796 273 G HN 0.338 nan 8.290 nan 0.000 0.485 274 L N -2.224 119.137 121.223 0.230 0.000 2.388 274 L HA 0.730 5.070 4.340 -0.000 0.000 0.264 274 L C -1.260 175.771 176.870 0.270 0.000 0.998 274 L CA -1.200 53.767 54.840 0.211 0.000 0.817 274 L CB 2.239 44.390 42.059 0.153 0.000 1.338 274 L HN 0.209 nan 8.230 nan 0.000 0.414 275 D N 1.402 121.955 120.400 0.255 0.000 2.372 275 D HA 0.354 4.994 4.640 -0.000 0.000 0.243 275 D C -1.264 175.206 176.300 0.283 0.000 1.121 275 D CA 0.753 54.907 54.000 0.257 0.000 0.898 275 D CB 1.506 42.430 40.800 0.208 0.000 1.202 275 D HN 0.523 nan 8.370 nan 0.000 0.428 276 F N 0.671 120.659 119.950 0.064 0.000 2.561 276 F HA 0.331 4.858 4.527 -0.000 0.000 0.313 276 F C -0.680 175.014 175.800 -0.177 0.000 1.126 276 F CA -0.406 57.549 58.000 -0.075 0.000 0.918 276 F CB 2.117 41.019 39.000 -0.163 0.000 1.199 276 F HN 0.078 nan 8.300 nan 0.000 0.444 277 T N 4.744 118.965 114.554 -0.554 0.000 2.921 277 T HA 0.844 5.194 4.350 -0.000 0.000 0.297 277 T C -1.562 172.821 174.700 -0.530 0.000 1.013 277 T CA -0.295 61.589 62.100 -0.360 0.000 0.990 277 T CB 1.026 69.804 68.868 -0.149 0.000 1.023 277 T HN 0.983 nan 8.240 nan 0.000 0.447 278 A N 3.562 126.221 122.820 -0.267 0.000 2.498 278 A HA 0.872 5.192 4.320 -0.000 0.000 0.298 278 A C -1.359 176.346 177.584 0.201 0.000 1.075 278 A CA -0.612 51.405 52.037 -0.034 0.000 0.714 278 A CB 1.985 21.042 19.000 0.095 0.000 1.299 278 A HN 0.760 nan 8.150 nan 0.000 0.407 279 V N 1.831 121.846 119.914 0.169 0.000 2.588 279 V HA 0.396 4.516 4.120 -0.000 0.000 0.304 279 V C 0.069 175.992 176.094 -0.286 0.000 1.042 279 V CA -0.789 61.505 62.300 -0.009 0.000 0.877 279 V CB 1.859 33.641 31.823 -0.067 0.000 0.996 279 V HN 0.954 nan 8.190 nan 0.000 0.425 280 K N 3.597 123.480 120.400 -0.861 0.000 2.270 280 K HA 0.271 4.591 4.320 -0.000 0.000 0.276 280 K C 0.465 176.698 176.600 -0.611 0.000 1.023 280 K CA -0.381 55.104 56.287 -1.337 0.000 0.955 280 K CB 0.788 32.230 32.500 -1.764 0.000 0.975 280 K HN 0.915 nan 8.250 nan 0.000 0.471 281 E N 1.980 121.892 120.200 -0.479 0.000 2.418 281 E HA 0.135 4.485 4.350 -0.000 0.000 0.261 281 E C 0.549 177.017 176.600 -0.221 0.000 1.070 281 E CA 0.181 56.428 56.400 -0.255 0.000 0.931 281 E CB 0.433 30.032 29.700 -0.169 0.000 0.954 281 E HN 0.813 nan 8.360 nan 0.000 0.439 282 G N 2.204 110.915 108.800 -0.147 0.000 2.211 282 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.201 282 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.201 282 G C -0.361 174.479 174.900 -0.101 0.000 0.997 282 G CA 0.070 45.102 45.100 -0.112 0.000 0.652 282 G HN 0.498 nan 8.290 nan 0.000 0.500 283 K N 0.200 120.530 120.400 -0.118 0.000 2.482 283 K HA 0.726 5.046 4.320 -0.000 0.000 0.251 283 K C -0.209 176.340 176.600 -0.085 0.000 0.936 283 K CA -0.290 55.941 56.287 -0.093 0.000 0.791 283 K CB 2.520 34.960 32.500 -0.101 0.000 1.213 283 K HN 0.618 nan 8.250 nan 0.000 0.428 284 A N 3.803 126.585 122.820 -0.063 0.000 2.396 284 A HA 0.333 4.652 4.320 -0.000 0.000 0.279 284 A C -0.327 177.225 177.584 -0.054 0.000 1.165 284 A CA -0.147 51.856 52.037 -0.056 0.000 0.824 284 A CB 0.074 19.048 19.000 -0.044 0.000 1.100 284 A HN 0.556 nan 8.150 nan 0.000 0.516 285 R N 1.618 122.083 120.500 -0.059 0.000 2.698 285 R HA 0.424 4.764 4.340 -0.000 0.000 0.275 285 R C -1.919 174.349 176.300 -0.054 0.000 1.001 285 R CA -0.903 55.165 56.100 -0.053 0.000 0.896 285 R CB 1.882 32.147 30.300 -0.059 0.000 1.218 285 R HN 0.591 nan 8.270 nan 0.000 0.462 286 L N 4.208 125.402 121.223 -0.047 0.000 2.313 286 L HA 0.304 4.643 4.340 -0.000 0.000 0.273 286 L C 0.711 177.550 176.870 -0.052 0.000 1.028 286 L CA 0.087 54.897 54.840 -0.050 0.000 0.871 286 L CB 0.657 42.691 42.059 -0.043 0.000 1.242 286 L HN 0.712 nan 8.230 nan 0.000 0.434 287 L N 3.321 124.506 121.223 -0.063 0.000 1.973 287 L HA 0.170 4.510 4.340 -0.000 0.000 0.208 287 L C 0.899 177.730 176.870 -0.064 0.000 1.073 287 L CA 1.306 56.105 54.840 -0.067 0.000 0.746 287 L CB -0.155 41.851 42.059 -0.088 0.000 0.891 287 L HN 0.765 nan 8.230 nan 0.000 0.433 288 A N -1.689 121.089 122.820 -0.070 0.000 2.609 288 A HA 0.617 4.937 4.320 -0.000 0.000 0.291 288 A C -1.491 176.053 177.584 -0.065 0.000 1.096 288 A CA -0.454 51.545 52.037 -0.063 0.000 0.684 288 A CB 1.586 20.549 19.000 -0.062 0.000 1.282 288 A HN -0.165 nan 8.150 nan 0.000 0.412 289 V N 1.033 120.910 119.914 -0.062 0.000 2.448 289 V HA 0.558 4.678 4.120 -0.000 0.000 0.295 289 V C -0.574 175.473 176.094 -0.079 0.000 1.025 289 V CA -0.300 61.959 62.300 -0.070 0.000 0.859 289 V CB 1.234 33.017 31.823 -0.066 0.000 0.988 289 V HN 0.835 nan 8.190 nan 0.000 0.431 290 Q N 5.611 125.358 119.800 -0.087 0.000 2.337 290 Q HA 0.419 4.759 4.340 -0.000 0.000 0.264 290 Q C -2.777 173.147 176.000 -0.128 0.000 1.007 290 Q CA -1.711 54.038 55.803 -0.090 0.000 0.727 290 Q CB 2.823 31.530 28.738 -0.052 0.000 1.256 290 Q HN 0.477 nan 8.270 nan 0.000 0.467 291 P HA 0.108 nan 4.420 nan 0.000 0.274 291 P C -0.367 176.738 177.300 -0.325 0.000 1.246 291 P CA -0.209 62.664 63.100 -0.380 0.000 0.795 291 P CB 0.772 31.950 31.700 -0.871 0.000 1.006 292 A N 0.855 123.531 122.820 -0.241 0.000 2.370 292 A HA 0.384 4.704 4.320 -0.000 0.000 0.238 292 A C -0.129 177.483 177.584 0.047 0.000 1.289 292 A CA 0.101 52.094 52.037 -0.073 0.000 0.885 292 A CB -1.216 17.772 19.000 -0.019 0.000 0.961 292 A HN 0.522 nan 8.150 nan 0.000 0.499 293 F N -3.615 116.339 119.950 0.006 0.000 2.645 293 F HA 0.823 5.350 4.527 -0.000 0.000 0.310 293 F C -1.301 174.566 175.800 0.111 0.000 1.102 293 F CA -2.260 55.779 58.000 0.066 0.000 0.952 293 F CB 1.205 40.241 39.000 0.060 0.000 1.326 293 F HN -0.126 nan 8.300 nan 0.000 0.456 294 I N 1.993 122.794 120.570 0.385 0.000 2.649 294 I HA 0.371 4.541 4.170 -0.000 0.000 0.289 294 I C -1.347 174.808 176.117 0.064 0.000 1.222 294 I CA -0.749 60.661 61.300 0.185 0.000 1.046 294 I CB 1.957 39.982 38.000 0.042 0.000 1.272 294 I HN 0.818 nan 8.210 nan 0.000 0.425 295 K N 5.863 126.190 120.400 -0.122 0.000 2.270 295 K HA 0.747 5.066 4.320 -0.000 0.000 0.276 295 K C -0.083 176.323 176.600 -0.323 0.000 1.023 295 K CA -0.252 55.655 56.287 -0.634 0.000 0.955 295 K CB 1.077 33.273 32.500 -0.507 0.000 0.975 295 K HN 0.811 nan 8.250 nan 0.000 0.471 296 A N 2.469 125.088 122.820 -0.336 0.000 2.531 296 A HA 0.322 4.642 4.320 -0.000 0.000 0.236 296 A C 0.967 178.475 177.584 -0.126 0.000 1.062 296 A CA 0.699 52.636 52.037 -0.167 0.000 0.760 296 A CB -0.516 18.405 19.000 -0.132 0.000 0.995 296 A HN 1.101 nan 8.150 nan 0.000 0.501 297 G N 1.277 110.030 108.800 -0.078 0.000 2.221 297 G HA2 0.152 4.112 3.960 -0.000 0.000 0.265 297 G HA3 0.152 4.112 3.960 -0.000 0.000 0.265 297 G C 0.580 175.448 174.900 -0.052 0.000 1.041 297 G CA 0.713 45.780 45.100 -0.056 0.000 0.807 297 G HN 2.008 nan 8.290 nan 0.000 0.502 298 G N -1.238 107.529 108.800 -0.055 0.000 2.481 298 G HA2 0.640 4.600 3.960 -0.000 0.000 0.315 298 G HA3 0.640 4.600 3.960 -0.000 0.000 0.315 298 G C -0.881 174.006 174.900 -0.022 0.000 1.231 298 G CA -0.487 44.590 45.100 -0.037 0.000 0.968 298 G HN 0.140 nan 8.290 nan 0.000 0.482 299 E N 0.045 120.239 120.200 -0.011 0.000 2.151 299 E HA 0.588 4.938 4.350 -0.000 0.000 0.275 299 E C -0.993 175.604 176.600 -0.005 0.000 0.936 299 E CA -0.316 56.078 56.400 -0.009 0.000 0.777 299 E CB 1.870 31.567 29.700 -0.005 0.000 1.108 299 E HN 0.378 nan 8.360 nan 0.000 0.401 300 S N 3.012 118.704 115.700 -0.014 0.000 2.543 300 S HA 0.154 4.623 4.470 -0.000 0.000 0.273 300 S C -1.255 173.326 174.600 -0.032 0.000 1.152 300 S CA -0.711 57.477 58.200 -0.021 0.000 0.910 300 S CB 1.356 64.538 63.200 -0.031 0.000 1.105 300 S HN 0.424 nan 8.310 nan 0.000 0.465 301 E N 3.974 124.154 120.200 -0.032 0.000 2.180 301 E HA 0.349 4.699 4.350 -0.000 0.000 0.283 301 E C -0.902 175.665 176.600 -0.056 0.000 1.061 301 E CA -0.031 56.348 56.400 -0.035 0.000 0.861 301 E CB 0.389 30.075 29.700 -0.022 0.000 1.056 301 E HN 0.603 nan 8.360 nan 0.000 0.407 302 I N 3.012 123.547 120.570 -0.058 0.000 2.474 302 I HA 0.177 4.347 4.170 -0.000 0.000 0.294 302 I C 0.276 176.356 176.117 -0.062 0.000 1.005 302 I CA -0.587 60.668 61.300 -0.075 0.000 1.113 302 I CB 2.165 40.118 38.000 -0.078 0.000 1.289 302 I HN 0.330 nan 8.210 nan 0.000 0.436 303 T N 6.531 121.045 114.554 -0.068 0.000 2.824 303 T HA 0.549 4.899 4.350 -0.000 0.000 0.282 303 T C -0.924 173.734 174.700 -0.070 0.000 0.993 303 T CA -0.683 61.379 62.100 -0.063 0.000 0.967 303 T CB 0.931 69.763 68.868 -0.060 0.000 0.960 303 T HN 0.219 nan 8.240 nan 0.000 0.441 304 L N 5.340 126.523 121.223 -0.066 0.000 2.282 304 L HA 0.584 4.924 4.340 -0.000 0.000 0.288 304 L C -0.093 176.729 176.870 -0.079 0.000 1.033 304 L CA -0.720 54.080 54.840 -0.068 0.000 0.807 304 L CB 1.298 43.322 42.059 -0.058 0.000 1.209 304 L HN 0.578 nan 8.230 nan 0.000 0.423 305 V N 1.966 121.826 119.914 -0.090 0.000 2.581 305 V HA 1.007 5.127 4.120 -0.000 0.000 0.303 305 V C 0.502 176.538 176.094 -0.098 0.000 1.041 305 V CA -0.318 61.915 62.300 -0.112 0.000 0.907 305 V CB 1.565 33.301 31.823 -0.145 0.000 0.994 305 V HN 1.023 nan 8.190 nan 0.000 0.442 306 G N 1.912 110.652 108.800 -0.099 0.000 2.323 306 G HA2 0.467 4.426 3.960 -0.000 0.000 0.291 306 G HA3 0.467 4.426 3.960 -0.000 0.000 0.291 306 G C -1.322 173.529 174.900 -0.081 0.000 1.278 306 G CA 0.068 45.117 45.100 -0.084 0.000 0.860 306 G HN 0.827 nan 8.290 nan 0.000 0.504 307 S N -1.260 114.393 115.700 -0.077 0.000 2.521 307 S HA 0.606 5.076 4.470 -0.000 0.000 0.295 307 S C 0.812 175.370 174.600 -0.071 0.000 1.098 307 S CA 1.078 59.229 58.200 -0.081 0.000 0.999 307 S CB 0.980 64.118 63.200 -0.104 0.000 1.034 307 S HN 2.689 nan 8.310 nan 0.000 0.483 308 G N 3.321 112.082 108.800 -0.064 0.000 2.249 308 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.273 308 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.273 308 G C -0.094 174.778 174.900 -0.047 0.000 1.036 308 G CA 0.316 45.383 45.100 -0.054 0.000 0.824 308 G HN 0.770 nan 8.290 nan 0.000 0.504 309 L N 0.110 121.305 121.223 -0.047 0.000 2.433 309 L HA 0.504 4.844 4.340 -0.000 0.000 0.275 309 L C 0.763 177.612 176.870 -0.036 0.000 1.128 309 L CA 0.516 55.331 54.840 -0.042 0.000 0.875 309 L CB 0.755 42.786 42.059 -0.046 0.000 1.171 309 L HN 0.487 nan 8.230 nan 0.000 0.463 310 A N 2.980 125.781 122.820 -0.032 0.000 2.488 310 A HA 0.902 5.222 4.320 -0.000 0.000 0.298 310 A C -0.019 177.551 177.584 -0.024 0.000 1.044 310 A CA 0.198 52.219 52.037 -0.027 0.000 0.693 310 A CB 1.848 20.833 19.000 -0.025 0.000 1.272 310 A HN 0.901 nan 8.150 nan 0.000 0.402 311 G N 0.831 109.618 108.800 -0.022 0.000 2.352 311 G HA2 0.199 4.159 3.960 -0.000 0.000 0.324 311 G HA3 0.199 4.159 3.960 -0.000 0.000 0.324 311 G C -0.761 174.127 174.900 -0.020 0.000 1.249 311 G CA -0.224 44.864 45.100 -0.020 0.000 1.053 311 G HN 0.985 nan 8.290 nan 0.000 0.492 312 K N 1.012 121.401 120.400 -0.019 0.000 2.206 312 K HA 0.596 4.916 4.320 -0.000 0.000 0.264 312 K C -2.609 173.979 176.600 -0.020 0.000 0.967 312 K CA -1.873 54.403 56.287 -0.018 0.000 0.844 312 K CB 1.870 34.361 32.500 -0.016 0.000 1.099 312 K HN 0.192 nan 8.250 nan 0.000 0.441 313 P HA 0.094 nan 4.420 nan 0.000 0.271 313 P C -1.322 175.965 177.300 -0.021 0.000 1.220 313 P CA -0.051 63.035 63.100 -0.024 0.000 0.768 313 P CB 0.650 32.335 31.700 -0.026 0.000 0.848 314 D N 2.831 123.219 120.400 -0.021 0.000 2.549 314 D HA 0.201 4.841 4.640 -0.000 0.000 0.251 314 D C 0.034 176.322 176.300 -0.019 0.000 1.153 314 D CA -0.384 53.605 54.000 -0.018 0.000 0.861 314 D CB 1.027 41.817 40.800 -0.015 0.000 1.207 314 D HN 0.173 nan 8.370 nan 0.000 0.543 315 L N 2.973 124.186 121.223 -0.018 0.000 2.728 315 L HA 0.462 4.802 4.340 -0.000 0.000 0.235 315 L C 1.175 178.037 176.870 -0.013 0.000 1.197 315 L CA -0.244 54.585 54.840 -0.018 0.000 0.992 315 L CB -0.563 41.484 42.059 -0.021 0.000 1.263 315 L HN 0.621 nan 8.230 nan 0.000 0.484 316 G N 0.590 109.384 108.800 -0.011 0.000 2.781 316 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.683 316 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.683 316 G C -0.088 174.808 174.900 -0.007 0.000 1.390 316 G CA -0.576 44.519 45.100 -0.008 0.000 0.850 316 G HN 0.408 nan 8.290 nan 0.000 0.557 317 A N 0.142 122.959 122.820 -0.005 0.000 2.545 317 A HA 0.634 4.954 4.320 -0.000 0.000 0.253 317 A C 2.030 179.611 177.584 -0.006 0.000 1.074 317 A CA 2.294 54.328 52.037 -0.005 0.000 0.760 317 A CB -0.342 18.656 19.000 -0.004 0.000 1.005 317 A HN 2.970 nan 8.150 nan 0.000 0.506 318 G N 1.170 109.965 108.800 -0.008 0.000 2.213 318 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.236 318 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.236 318 G C 0.117 175.009 174.900 -0.013 0.000 0.991 318 G CA 0.053 45.146 45.100 -0.011 0.000 0.629 318 G HN 1.528 nan 8.290 nan 0.000 0.517 319 V N 1.113 121.020 119.914 -0.012 0.000 2.398 319 V HA 0.652 4.772 4.120 -0.000 0.000 0.286 319 V C 0.129 176.214 176.094 -0.015 0.000 1.026 319 V CA -0.615 61.676 62.300 -0.015 0.000 0.868 319 V CB 1.820 33.635 31.823 -0.013 0.000 0.982 319 V HN 0.378 nan 8.190 nan 0.000 0.443 320 E N 3.482 123.672 120.200 -0.017 0.000 2.145 320 E HA 0.449 4.799 4.350 -0.000 0.000 0.270 320 E C -1.259 175.331 176.600 -0.017 0.000 0.906 320 E CA -0.651 55.740 56.400 -0.016 0.000 0.761 320 E CB 1.969 31.660 29.700 -0.015 0.000 1.116 320 E HN 0.520 nan 8.360 nan 0.000 0.408 321 V N 5.333 125.237 119.914 -0.017 0.000 2.352 321 V HA 0.004 4.124 4.120 -0.000 0.000 0.253 321 V C 1.438 177.523 176.094 -0.016 0.000 1.083 321 V CA 0.412 62.701 62.300 -0.018 0.000 0.993 321 V CB 0.083 31.895 31.823 -0.019 0.000 1.111 321 V HN 0.865 nan 8.190 nan 0.000 0.490 322 T N 0.584 115.129 114.554 -0.016 0.000 3.085 322 T HA 0.083 4.433 4.350 -0.000 0.000 0.263 322 T C 0.469 175.162 174.700 -0.012 0.000 1.127 322 T CA 0.463 62.555 62.100 -0.013 0.000 1.103 322 T CB 0.226 69.087 68.868 -0.012 0.000 0.921 322 T HN 0.701 nan 8.240 nan 0.000 0.510 323 E N 0.050 120.242 120.200 -0.014 0.000 3.538 323 E HA 0.197 4.546 4.350 -0.000 0.000 0.363 323 E C -1.936 174.655 176.600 -0.015 0.000 1.052 323 E CA -0.442 55.950 56.400 -0.013 0.000 0.848 323 E CB 1.377 31.071 29.700 -0.011 0.000 1.255 323 E HN 0.027 nan 8.360 nan 0.000 0.483 324 V N 6.903 126.808 119.914 -0.015 0.000 2.352 324 V HA 0.066 4.186 4.120 -0.000 0.000 0.253 324 V C 1.586 177.671 176.094 -0.016 0.000 1.083 324 V CA 0.192 62.481 62.300 -0.018 0.000 0.993 324 V CB 0.214 32.027 31.823 -0.018 0.000 1.111 324 V HN 0.686 nan 8.190 nan 0.000 0.490 325 L N 2.800 124.013 121.223 -0.016 0.000 2.275 325 L HA 0.142 4.481 4.340 -0.000 0.000 0.215 325 L C 0.958 177.819 176.870 -0.014 0.000 1.119 325 L CA 1.058 55.890 54.840 -0.014 0.000 0.790 325 L CB -0.105 41.946 42.059 -0.013 0.000 0.919 325 L HN 0.729 nan 8.230 nan 0.000 0.443 326 E N -0.177 120.012 120.200 -0.018 0.000 2.478 326 E HA 0.179 4.529 4.350 -0.000 0.000 0.293 326 E C -1.219 175.367 176.600 -0.023 0.000 1.011 326 E CA -0.449 55.939 56.400 -0.019 0.000 0.834 326 E CB 1.287 30.976 29.700 -0.019 0.000 1.226 326 E HN 0.032 nan 8.360 nan 0.000 0.419 327 Q N 3.479 123.266 119.800 -0.022 0.000 3.255 327 Q HA 0.294 4.634 4.340 -0.000 0.000 0.231 327 Q C -1.311 174.674 176.000 -0.025 0.000 0.935 327 Q CA -0.369 55.418 55.803 -0.026 0.000 0.714 327 Q CB 1.094 29.818 28.738 -0.023 0.000 1.345 327 Q HN 0.655 nan 8.270 nan 0.000 0.463 328 T N -1.283 113.253 114.554 -0.030 0.000 2.897 328 T HA 0.533 4.883 4.350 -0.000 0.000 0.278 328 T C -1.746 172.933 174.700 -0.035 0.000 0.981 328 T CA -1.563 60.519 62.100 -0.029 0.000 0.973 328 T CB 1.061 69.912 68.868 -0.029 0.000 1.092 328 T HN 0.299 nan 8.240 nan 0.000 0.543 329 P HA 0.053 nan 4.420 nan 0.000 0.237 329 P C 0.927 178.197 177.300 -0.050 0.000 1.178 329 P CA 0.695 63.771 63.100 -0.040 0.000 0.766 329 P CB -0.154 31.524 31.700 -0.036 0.000 0.876 330 T N -4.202 110.319 114.554 -0.055 0.000 3.058 330 T HA 0.377 4.727 4.350 -0.000 0.000 0.278 330 T C 0.138 174.787 174.700 -0.085 0.000 0.974 330 T CA -0.325 61.733 62.100 -0.071 0.000 0.893 330 T CB -0.051 68.775 68.868 -0.070 0.000 1.138 330 T HN 0.029 nan 8.240 nan 0.000 0.529 331 L N 1.208 122.388 121.223 -0.072 0.000 2.676 331 L HA 0.635 4.975 4.340 -0.000 0.000 0.262 331 L C -2.118 174.717 176.870 -0.057 0.000 0.932 331 L CA -0.817 53.978 54.840 -0.076 0.000 0.932 331 L CB 2.100 44.109 42.059 -0.083 0.000 1.355 331 L HN -0.045 nan 8.230 nan 0.000 0.421 332 V N 4.799 124.680 119.914 -0.056 0.000 2.357 332 V HA 0.465 4.585 4.120 -0.000 0.000 0.281 332 V C -0.370 175.697 176.094 -0.045 0.000 1.015 332 V CA -0.523 61.750 62.300 -0.045 0.000 0.827 332 V CB 1.500 33.298 31.823 -0.042 0.000 1.018 332 V HN 0.763 nan 8.190 nan 0.000 0.432 333 R N 5.088 125.564 120.500 -0.039 0.000 2.255 333 R HA 0.838 5.178 4.340 -0.000 0.000 0.326 333 R C -0.954 175.327 176.300 -0.031 0.000 0.986 333 R CA -0.657 55.420 56.100 -0.037 0.000 0.847 333 R CB 1.248 31.528 30.300 -0.034 0.000 1.111 333 R HN 0.523 nan 8.270 nan 0.000 0.452 334 L N -0.921 120.282 121.223 -0.033 0.000 2.257 334 L HA 0.738 5.078 4.340 -0.000 0.000 0.257 334 L C -0.707 176.147 176.870 -0.028 0.000 1.033 334 L CA -1.372 53.451 54.840 -0.028 0.000 0.835 334 L CB 1.103 43.145 42.059 -0.028 0.000 1.398 334 L HN 0.346 nan 8.230 nan 0.000 0.429 335 K N 0.315 120.701 120.400 -0.023 0.000 2.244 335 K HA 0.896 5.216 4.320 -0.000 0.000 0.260 335 K C -1.037 175.549 176.600 -0.022 0.000 0.951 335 K CA 0.008 56.282 56.287 -0.021 0.000 0.826 335 K CB 1.714 34.204 32.500 -0.015 0.000 1.108 335 K HN 1.007 nan 8.250 nan 0.000 0.433 336 A N 3.536 126.342 122.820 -0.024 0.000 2.430 336 A HA 0.838 5.158 4.320 -0.000 0.000 0.300 336 A C -1.317 176.254 177.584 -0.021 0.000 1.124 336 A CA -0.783 51.240 52.037 -0.024 0.000 0.766 336 A CB 1.416 20.399 19.000 -0.029 0.000 1.328 336 A HN 0.684 nan 8.150 nan 0.000 0.424 337 R N 0.158 120.646 120.500 -0.020 0.000 2.510 337 R HA 0.584 4.924 4.340 -0.000 0.000 0.287 337 R C -1.064 175.223 176.300 -0.022 0.000 1.084 337 R CA -0.261 55.827 56.100 -0.020 0.000 0.934 337 R CB 1.742 32.032 30.300 -0.017 0.000 1.201 337 R HN 1.095 nan 8.270 nan 0.000 0.431 338 A N 2.966 125.769 122.820 -0.028 0.000 2.301 338 A HA 0.726 5.046 4.320 -0.000 0.000 0.312 338 A C -0.106 177.457 177.584 -0.035 0.000 1.182 338 A CA -0.407 51.611 52.037 -0.032 0.000 0.826 338 A CB 1.208 20.183 19.000 -0.042 0.000 1.134 338 A HN 0.842 nan 8.150 nan 0.000 0.501 339 A N 1.388 124.190 122.820 -0.029 0.000 2.425 339 A HA 0.495 4.815 4.320 -0.000 0.000 0.242 339 A C 1.427 178.990 177.584 -0.035 0.000 1.077 339 A CA 0.287 52.308 52.037 -0.027 0.000 0.781 339 A CB -0.057 18.931 19.000 -0.020 0.000 1.020 339 A HN 2.006 nan 8.150 nan 0.000 0.494 340 A N 0.509 123.309 122.820 -0.032 0.000 2.172 340 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 340 A C 1.449 179.015 177.584 -0.030 0.000 1.154 340 A CA 2.015 54.030 52.037 -0.037 0.000 0.701 340 A CB -0.373 18.610 19.000 -0.029 0.000 0.789 340 A HN 0.868 nan 8.150 nan 0.000 0.465 341 D N -0.766 119.620 120.400 -0.024 0.000 2.367 341 D HA 0.317 4.957 4.640 -0.000 0.000 0.207 341 D C 0.870 177.160 176.300 -0.016 0.000 1.034 341 D CA 0.587 54.577 54.000 -0.017 0.000 0.861 341 D CB -0.094 40.698 40.800 -0.013 0.000 0.943 341 D HN 0.362 nan 8.370 nan 0.000 0.515 342 A N 1.126 123.933 122.820 -0.021 0.000 2.567 342 A HA 0.056 4.376 4.320 -0.000 0.000 0.240 342 A C 0.389 177.966 177.584 -0.012 0.000 1.053 342 A CA 0.175 52.202 52.037 -0.017 0.000 0.755 342 A CB 0.199 19.185 19.000 -0.023 0.000 0.978 342 A HN -0.024 nan 8.150 nan 0.000 0.507 343 K N 3.644 124.042 120.400 -0.003 0.000 2.379 343 K HA 0.229 4.548 4.320 -0.000 0.000 0.284 343 K C -2.346 174.262 176.600 0.013 0.000 1.044 343 K CA -1.750 54.540 56.287 0.005 0.000 0.974 343 K CB 0.534 33.038 32.500 0.007 0.000 0.962 343 K HN 0.538 nan 8.250 nan 0.000 0.474 344 P HA 0.199 nan 4.420 nan 0.000 0.271 344 P C 0.034 177.360 177.300 0.043 0.000 1.216 344 P CA 0.032 63.159 63.100 0.046 0.000 0.771 344 P CB 0.912 32.650 31.700 0.062 0.000 0.864 345 G N 1.466 110.296 108.800 0.049 0.000 2.356 345 G HA2 0.074 4.033 3.960 -0.000 0.000 0.300 345 G HA3 0.074 4.033 3.960 -0.000 0.000 0.300 345 G C -1.545 173.371 174.900 0.027 0.000 1.331 345 G CA -0.733 44.387 45.100 0.033 0.000 0.905 345 G HN 0.434 nan 8.290 nan 0.000 0.587 346 Q N -0.010 119.797 119.800 0.012 0.000 2.354 346 Q HA 0.503 4.843 4.340 -0.000 0.000 0.244 346 Q C -0.115 175.888 176.000 0.004 0.000 0.969 346 Q CA -0.059 55.746 55.803 0.004 0.000 0.885 346 Q CB 1.290 30.021 28.738 -0.011 0.000 1.241 346 Q HN 0.469 nan 8.270 nan 0.000 0.461 347 R N 1.648 122.149 120.500 0.002 0.000 2.513 347 R HA 0.265 4.604 4.340 -0.000 0.000 0.301 347 R C -0.439 175.856 176.300 -0.008 0.000 0.968 347 R CA -0.808 55.291 56.100 -0.002 0.000 0.872 347 R CB 1.358 31.658 30.300 -0.000 0.000 1.177 347 R HN 0.488 nan 8.270 nan 0.000 0.444 348 E N 2.928 123.123 120.200 -0.009 0.000 2.265 348 E HA 0.103 4.453 4.350 -0.000 0.000 0.272 348 E C -0.244 176.347 176.600 -0.015 0.000 1.067 348 E CA -0.178 56.215 56.400 -0.012 0.000 0.900 348 E CB 0.860 30.553 29.700 -0.011 0.000 1.017 348 E HN 0.209 nan 8.360 nan 0.000 0.431 349 V N 2.382 122.285 119.914 -0.019 0.000 3.003 349 V HA 0.581 4.701 4.120 -0.000 0.000 0.305 349 V C 0.352 176.432 176.094 -0.023 0.000 1.078 349 V CA -0.177 62.109 62.300 -0.023 0.000 1.083 349 V CB 1.437 33.243 31.823 -0.029 0.000 1.039 349 V HN 0.775 nan 8.190 nan 0.000 0.481 350 A N 2.984 125.789 122.820 -0.024 0.000 2.566 350 A HA 0.749 5.069 4.320 -0.000 0.000 0.297 350 A C -1.415 176.153 177.584 -0.025 0.000 1.059 350 A CA -0.439 51.584 52.037 -0.024 0.000 0.691 350 A CB 2.007 20.995 19.000 -0.020 0.000 1.282 350 A HN 0.604 nan 8.150 nan 0.000 0.401 351 V N 2.922 122.820 119.914 -0.027 0.000 2.325 351 V HA 0.625 4.745 4.120 -0.000 0.000 0.280 351 V C 1.075 177.154 176.094 -0.025 0.000 1.016 351 V CA 0.794 63.077 62.300 -0.028 0.000 0.818 351 V CB 0.047 31.851 31.823 -0.032 0.000 1.019 351 V HN 2.448 nan 8.190 nan 0.000 0.434 352 G N 5.335 114.122 108.800 -0.022 0.000 2.565 352 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.295 352 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.295 352 G C 0.956 175.845 174.900 -0.018 0.000 1.165 352 G CA 0.873 45.961 45.100 -0.019 0.000 0.977 352 G HN 1.136 nan 8.290 nan 0.000 0.546 353 T N -0.331 114.212 114.554 -0.018 0.000 3.060 353 T HA 0.540 4.890 4.350 -0.000 0.000 0.249 353 T C 1.256 175.944 174.700 -0.019 0.000 1.079 353 T CA 0.439 62.529 62.100 -0.017 0.000 1.013 353 T CB 0.175 69.033 68.868 -0.015 0.000 0.975 353 T HN 0.492 nan 8.240 nan 0.000 0.518 354 L N 2.369 123.579 121.223 -0.022 0.000 2.369 354 L HA 0.353 4.693 4.340 -0.000 0.000 0.279 354 L C 0.365 177.220 176.870 -0.024 0.000 1.108 354 L CA -0.055 54.770 54.840 -0.025 0.000 0.852 354 L CB 0.460 42.501 42.059 -0.030 0.000 1.169 354 L HN 0.098 nan 8.230 nan 0.000 0.452 355 K N 1.818 122.205 120.400 -0.022 0.000 2.331 355 K HA 0.738 5.058 4.320 -0.000 0.000 0.238 355 K C 0.465 177.052 176.600 -0.023 0.000 1.058 355 K CA -0.125 56.149 56.287 -0.021 0.000 0.871 355 K CB 2.138 34.628 32.500 -0.017 0.000 1.292 355 K HN 0.630 nan 8.250 nan 0.000 0.470 356 G N -0.743 108.043 108.800 -0.022 0.000 3.505 356 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.210 356 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.210 356 G C -0.470 174.416 174.900 -0.025 0.000 1.047 356 G CA 0.124 45.211 45.100 -0.022 0.000 0.884 356 G HN 0.436 nan 8.290 nan 0.000 0.434 357 V N -0.327 119.570 119.914 -0.029 0.000 2.769 357 V HA 0.871 4.991 4.120 -0.000 0.000 0.312 357 V C -0.747 175.329 176.094 -0.030 0.000 1.058 357 V CA -1.487 60.794 62.300 -0.032 0.000 0.952 357 V CB 1.805 33.605 31.823 -0.039 0.000 1.019 357 V HN 0.174 nan 8.190 nan 0.000 0.445 358 N N 2.043 120.724 118.700 -0.031 0.000 2.417 358 N HA 0.684 5.424 4.740 -0.000 0.000 0.300 358 N C -1.294 174.201 175.510 -0.025 0.000 1.102 358 N CA -0.408 52.626 53.050 -0.027 0.000 0.886 358 N CB 2.261 40.732 38.487 -0.026 0.000 1.203 358 N HN 0.748 nan 8.380 nan 0.000 0.496 359 L N 1.306 122.521 121.223 -0.014 0.000 2.325 359 L HA 0.659 4.998 4.340 -0.000 0.000 0.281 359 L C -0.635 176.251 176.870 0.027 0.000 1.004 359 L CA -0.921 53.919 54.840 0.000 0.000 0.823 359 L CB 1.054 43.109 42.059 -0.007 0.000 1.236 359 L HN 0.624 nan 8.230 nan 0.000 0.415 360 A N 5.357 128.215 122.820 0.064 0.000 2.276 360 A HA 0.670 4.990 4.320 -0.000 0.000 0.300 360 A C -0.761 176.930 177.584 0.180 0.000 1.235 360 A CA -0.467 51.624 52.037 0.091 0.000 0.867 360 A CB 0.511 19.542 19.000 0.051 0.000 1.137 360 A HN 0.528 nan 8.150 nan 0.000 0.527 361 V N 4.155 124.149 119.914 0.134 0.000 2.427 361 V HA 0.533 4.653 4.120 -0.000 0.000 0.286 361 V C -0.432 175.766 176.094 0.174 0.000 1.034 361 V CA -0.203 62.170 62.300 0.121 0.000 0.893 361 V CB 0.394 32.242 31.823 0.042 0.000 0.982 361 V HN 0.869 nan 8.190 nan 0.000 0.452 362 Y N 1.846 122.159 120.300 0.022 0.000 2.609 362 Y HA 0.737 5.287 4.550 -0.000 0.000 0.342 362 Y C 0.278 176.183 175.900 0.008 0.000 1.058 362 Y CA -1.118 56.984 58.100 0.003 0.000 1.055 362 Y CB 1.625 40.072 38.460 -0.022 0.000 1.292 362 Y HN 0.529 nan 8.280 nan 0.000 0.476 363 D N 0.706 121.141 120.400 0.059 0.000 2.615 363 D HA 0.125 4.765 4.640 -0.000 0.000 0.259 363 D C -0.523 175.817 176.300 0.066 0.000 0.999 363 D CA 0.606 54.585 54.000 -0.034 0.000 0.938 363 D CB 0.279 41.078 40.800 -0.001 0.000 1.121 363 D HN 0.652 nan 8.370 nan 0.000 0.487 364 K N -0.242 120.276 120.400 0.197 0.000 2.508 364 K HA 0.623 4.942 4.320 -0.000 0.000 0.260 364 K C -1.344 175.364 176.600 0.179 0.000 0.949 364 K CA -1.042 55.357 56.287 0.186 0.000 0.834 364 K CB 2.705 35.259 32.500 0.090 0.000 1.365 364 K HN -0.169 nan 8.250 nan 0.000 0.437 365 V N 2.603 122.582 119.914 0.109 0.000 2.383 365 V HA 0.140 4.259 4.120 -0.000 0.000 0.275 365 V C 0.563 176.676 176.094 0.032 0.000 1.036 365 V CA -0.229 62.081 62.300 0.017 0.000 0.889 365 V CB 0.890 32.684 31.823 -0.048 0.000 0.985 365 V HN 0.941 nan 8.190 nan 0.000 0.459 366 E N 2.576 122.803 120.200 0.045 0.000 2.079 366 E HA 0.047 4.397 4.350 -0.000 0.000 0.191 366 E C 0.425 177.048 176.600 0.039 0.000 0.961 366 E CA 0.334 56.761 56.400 0.044 0.000 0.823 366 E CB 0.583 30.316 29.700 0.055 0.000 0.789 366 E HN 0.745 nan 8.360 nan 0.000 0.459 367 E N 0.261 120.507 120.200 0.077 0.000 2.238 367 E HA 0.328 4.678 4.350 -0.000 0.000 0.267 367 E C -1.623 175.053 176.600 0.126 0.000 0.887 367 E CA -0.708 55.731 56.400 0.065 0.000 0.769 367 E CB 1.864 31.573 29.700 0.015 0.000 1.187 367 E HN -0.197 nan 8.360 nan 0.000 0.416 368 V N 4.433 124.390 119.914 0.071 0.000 2.487 368 V HA 0.484 4.604 4.120 -0.000 0.000 0.298 368 V C -0.614 175.537 176.094 0.096 0.000 1.028 368 V CA -0.868 61.491 62.300 0.098 0.000 0.860 368 V CB 1.718 33.549 31.823 0.012 0.000 0.991 368 V HN 0.640 nan 8.190 nan 0.000 0.427 369 K N 3.346 123.858 120.400 0.187 0.000 2.292 369 K HA 0.694 5.014 4.320 -0.000 0.000 0.257 369 K C -1.083 175.652 176.600 0.226 0.000 0.940 369 K CA -0.769 55.621 56.287 0.172 0.000 0.811 369 K CB 2.624 35.241 32.500 0.195 0.000 1.120 369 K HN 0.417 nan 8.250 nan 0.000 0.428 370 V N 3.205 123.241 119.914 0.205 0.000 2.498 370 V HA 0.200 4.319 4.120 -0.000 0.000 0.279 370 V C -0.229 176.049 176.094 0.305 0.000 1.048 370 V CA -0.594 61.881 62.300 0.292 0.000 0.967 370 V CB 1.402 33.380 31.823 0.257 0.000 0.988 370 V HN 0.447 nan 8.190 nan 0.000 0.473 371 V N 7.628 127.746 119.914 0.340 0.000 2.483 371 V HA 0.416 4.536 4.120 -0.000 0.000 0.297 371 V C -2.184 174.045 176.094 0.225 0.000 1.027 371 V CA -1.603 60.854 62.300 0.262 0.000 0.855 371 V CB 2.204 34.174 31.823 0.245 0.000 0.995 371 V HN 0.756 nan 8.190 nan 0.000 0.424 372 P HA 0.237 nan 4.420 nan 0.000 0.276 372 P C 0.396 177.854 177.300 0.263 0.000 1.244 372 P CA -0.235 62.972 63.100 0.179 0.000 0.801 372 P CB 1.747 33.491 31.700 0.072 0.000 1.006 373 A N 2.216 125.169 122.820 0.222 0.000 1.968 373 A HA 0.011 4.330 4.320 -0.000 0.000 0.217 373 A C 0.641 178.405 177.584 0.300 0.000 1.169 373 A CA 1.212 53.389 52.037 0.234 0.000 0.638 373 A CB -0.658 18.454 19.000 0.186 0.000 0.812 373 A HN 0.576 nan 8.150 nan 0.000 0.446 374 F N -0.259 119.739 119.950 0.080 0.000 2.569 374 F HA 0.551 5.078 4.527 -0.000 0.000 0.312 374 F C -0.266 175.530 175.800 -0.007 0.000 1.109 374 F CA -0.309 57.695 58.000 0.006 0.000 0.919 374 F CB 1.950 40.921 39.000 -0.048 0.000 1.211 374 F HN 0.131 nan 8.300 nan 0.000 0.446 375 S N 5.639 120.827 115.700 -0.853 0.000 2.615 375 S HA 0.750 5.220 4.470 -0.000 0.000 0.269 375 S C -2.083 172.072 174.600 -0.743 0.000 1.161 375 S CA -0.960 56.864 58.200 -0.626 0.000 0.817 375 S CB 1.801 64.843 63.200 -0.263 0.000 1.131 375 S HN 0.488 nan 8.310 nan 0.000 0.467 376 I N 1.566 121.863 120.570 -0.456 0.000 2.418 376 I HA 0.684 4.854 4.170 -0.000 0.000 0.287 376 I C 0.343 176.339 176.117 -0.201 0.000 1.008 376 I CA -0.548 60.551 61.300 -0.334 0.000 1.104 376 I CB 0.982 38.834 38.000 -0.246 0.000 1.264 376 I HN 1.038 nan 8.210 nan 0.000 0.438 377 A N 7.871 130.602 122.820 -0.147 0.000 2.320 377 A HA 0.923 5.243 4.320 -0.000 0.000 0.334 377 A C -0.245 177.317 177.584 -0.037 0.000 1.147 377 A CA -0.658 51.347 52.037 -0.052 0.000 0.820 377 A CB 1.243 20.269 19.000 0.043 0.000 1.218 377 A HN 0.738 nan 8.150 nan 0.000 0.482 378 R N 0.978 121.469 120.500 -0.015 0.000 2.621 378 R HA 0.496 4.836 4.340 -0.000 0.000 0.284 378 R C -0.457 175.835 176.300 -0.013 0.000 0.998 378 R CA -0.644 55.435 56.100 -0.034 0.000 0.895 378 R CB 1.643 31.894 30.300 -0.082 0.000 1.195 378 R HN 0.832 nan 8.270 nan 0.000 0.450 379 I N -0.874 119.686 120.570 -0.015 0.000 2.938 379 I HA 0.700 4.870 4.170 -0.000 0.000 0.285 379 I C 0.305 176.397 176.117 -0.042 0.000 1.182 379 I CA 0.036 61.332 61.300 -0.007 0.000 1.388 379 I CB 0.764 38.766 38.000 0.003 0.000 1.390 379 I HN 0.733 nan 8.210 nan 0.000 0.600 380 G N 2.102 110.888 108.800 -0.024 0.000 2.489 380 G HA2 0.462 4.422 3.960 -0.000 0.000 0.305 380 G HA3 0.462 4.422 3.960 -0.000 0.000 0.305 380 G C -0.907 173.991 174.900 -0.004 0.000 1.311 380 G CA -0.262 44.819 45.100 -0.032 0.000 0.813 380 G HN 0.865 nan 8.290 nan 0.000 0.480 381 E N -1.021 119.182 120.200 0.005 0.000 3.509 381 E HA -0.370 3.980 4.350 -0.000 0.000 0.270 381 E C 0.704 177.319 176.600 0.024 0.000 1.485 381 E CA 1.346 57.758 56.400 0.020 0.000 2.150 381 E CB -0.596 29.117 29.700 0.021 0.000 2.030 381 E HN 1.202 nan 8.360 nan 0.000 0.478 382 N N 0.300 119.014 118.700 0.023 0.000 2.747 382 N HA -0.313 4.427 4.740 -0.000 0.000 0.249 382 N C 0.558 176.087 175.510 0.032 0.000 1.107 382 N CA 1.434 54.499 53.050 0.025 0.000 0.707 382 N CB -1.319 37.183 38.487 0.025 0.000 1.054 382 N HN 1.058 nan 8.380 nan 0.000 0.555 383 G N -1.849 106.971 108.800 0.033 0.000 2.254 383 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.225 383 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.225 383 G C 0.289 175.220 174.900 0.053 0.000 1.003 383 G CA 0.636 45.759 45.100 0.038 0.000 0.622 383 G HN 1.089 nan 8.290 nan 0.000 0.507 384 A N 0.345 123.202 122.820 0.061 0.000 2.386 384 A HA 0.698 5.018 4.320 -0.000 0.000 0.246 384 A C 1.646 179.280 177.584 0.083 0.000 1.089 384 A CA 1.436 53.528 52.037 0.091 0.000 0.790 384 A CB 0.625 19.675 19.000 0.083 0.000 1.042 384 A HN 1.256 nan 8.150 nan 0.000 0.497 385 S N -1.007 114.770 115.700 0.129 0.000 2.603 385 S HA 0.175 4.644 4.470 -0.000 0.000 0.220 385 S C 0.436 175.073 174.600 0.062 0.000 0.967 385 S CA 0.567 58.834 58.200 0.112 0.000 0.920 385 S CB -1.056 62.253 63.200 0.182 0.000 0.773 385 S HN 1.207 nan 8.310 nan 0.000 0.529 386 V N 0.187 120.109 119.914 0.013 0.000 2.815 386 V HA 0.777 4.897 4.120 -0.000 0.000 0.314 386 V C -2.749 173.321 176.094 -0.040 0.000 1.064 386 V CA -2.613 59.651 62.300 -0.059 0.000 0.952 386 V CB 1.623 33.334 31.823 -0.188 0.000 1.020 386 V HN 0.004 nan 8.190 nan 0.000 0.439 387 P HA 0.427 nan 4.420 nan 0.000 0.280 387 P C -0.979 176.336 177.300 0.025 0.000 1.272 387 P CA -0.696 62.420 63.100 0.026 0.000 0.819 387 P CB 1.237 32.964 31.700 0.044 0.000 1.122 388 K N -0.008 120.425 120.400 0.054 0.000 2.258 388 K HA 0.345 4.665 4.320 -0.000 0.000 0.264 388 K C -0.448 176.179 176.600 0.045 0.000 1.007 388 K CA -0.508 55.793 56.287 0.023 0.000 0.941 388 K CB 0.416 32.919 32.500 0.004 0.000 0.966 388 K HN 0.177 nan 8.250 nan 0.000 0.480 389 V N 3.796 123.717 119.914 0.013 0.000 2.326 389 V HA 0.094 4.214 4.120 -0.000 0.000 0.281 389 V C -0.191 175.902 176.094 -0.001 0.000 1.015 389 V CA -0.755 61.546 62.300 0.003 0.000 0.823 389 V CB 1.033 32.836 31.823 -0.034 0.000 1.009 389 V HN 0.721 nan 8.190 nan 0.000 0.436 390 Q N 2.234 122.023 119.800 -0.019 0.000 2.417 390 Q HA 0.470 4.810 4.340 -0.000 0.000 0.241 390 Q C 0.673 176.633 176.000 -0.067 0.000 1.008 390 Q CA -0.005 55.787 55.803 -0.017 0.000 0.901 390 Q CB 0.935 29.628 28.738 -0.074 0.000 1.259 390 Q HN 0.845 nan 8.270 nan 0.000 0.489 391 G N 1.257 110.054 108.800 -0.005 0.000 2.332 391 G HA2 0.503 4.463 3.960 -0.000 0.000 0.310 391 G HA3 0.503 4.463 3.960 -0.000 0.000 0.310 391 G C -0.747 173.817 174.900 -0.561 0.000 1.123 391 G CA -0.561 44.384 45.100 -0.258 0.000 0.873 391 G HN 0.387 nan 8.290 nan 0.000 0.460 392 R N 1.496 121.378 120.500 -1.030 0.000 2.513 392 R HA 0.519 4.859 4.340 -0.000 0.000 0.301 392 R C -1.336 174.281 176.300 -1.137 0.000 0.968 392 R CA -0.461 55.160 56.100 -0.799 0.000 0.872 392 R CB 1.852 31.900 30.300 -0.421 0.000 1.177 392 R HN 0.476 nan 8.270 nan 0.000 0.444 393 F N 0.351 120.049 119.950 -0.419 0.000 2.620 393 F HA 0.515 5.042 4.527 -0.000 0.000 0.320 393 F C 0.026 175.579 175.800 -0.411 0.000 1.069 393 F CA -1.019 56.704 58.000 -0.462 0.000 0.953 393 F CB 2.209 40.791 39.000 -0.698 0.000 1.322 393 F HN 0.305 nan 8.300 nan 0.000 0.479 394 E N 0.424 120.690 120.200 0.110 0.000 2.331 394 E HA 0.722 5.072 4.350 -0.000 0.000 0.275 394 E C -1.600 175.260 176.600 0.434 0.000 0.895 394 E CA -0.745 55.746 56.400 0.152 0.000 0.753 394 E CB 2.064 31.466 29.700 -0.498 0.000 1.216 394 E HN 0.730 nan 8.360 nan 0.000 0.434 395 A N 3.647 126.759 122.820 0.486 0.000 2.260 395 A HA 0.349 4.669 4.320 -0.000 0.000 0.312 395 A C -0.404 177.371 177.584 0.318 0.000 1.321 395 A CA -0.423 51.796 52.037 0.302 0.000 0.928 395 A CB 0.375 19.395 19.000 0.033 0.000 1.158 395 A HN 0.595 nan 8.150 nan 0.000 0.542 396 E N 2.973 123.393 120.200 0.365 0.000 2.089 396 E HA 0.491 4.840 4.350 -0.000 0.000 0.284 396 E C 0.023 176.726 176.600 0.172 0.000 1.023 396 E CA -0.426 56.168 56.400 0.323 0.000 0.819 396 E CB 0.755 30.720 29.700 0.442 0.000 1.076 396 E HN 0.718 nan 8.360 nan 0.000 0.396 397 A N 4.802 127.566 122.820 -0.093 0.000 2.331 397 A HA 0.416 4.736 4.320 -0.000 0.000 0.283 397 A C -1.437 175.947 177.584 -0.335 0.000 1.142 397 A CA -0.367 51.572 52.037 -0.164 0.000 0.812 397 A CB 0.279 19.065 19.000 -0.358 0.000 1.074 397 A HN 0.663 nan 8.150 nan 0.000 0.497 398 W N 0.843 122.050 121.300 -0.156 0.000 2.915 398 W HA 0.621 5.281 4.660 -0.000 0.000 0.337 398 W C 0.406 176.862 176.519 -0.105 0.000 1.102 398 W CA 0.294 57.567 57.345 -0.121 0.000 1.224 398 W CB 2.442 31.859 29.460 -0.071 0.000 1.416 398 W HN 1.061 nan 8.180 nan 0.000 0.503 399 G N 0.859 109.728 108.800 0.116 0.000 3.058 399 G HA2 0.740 4.699 3.960 -0.000 0.000 0.282 399 G HA3 0.740 4.699 3.960 -0.000 0.000 0.282 399 G C -1.570 173.396 174.900 0.110 0.000 1.248 399 G CA -1.005 44.148 45.100 0.089 0.000 0.822 399 G HN 0.193 nan 8.290 nan 0.000 0.579 400 K N 0.460 120.911 120.400 0.085 0.000 2.422 400 K HA 0.403 4.723 4.320 -0.000 0.000 0.251 400 K C -1.106 175.533 176.600 0.064 0.000 0.933 400 K CA -0.711 55.622 56.287 0.076 0.000 0.798 400 K CB 2.317 34.854 32.500 0.063 0.000 1.238 400 K HN 0.713 nan 8.250 nan 0.000 0.428 401 D N 0.542 120.975 120.400 0.055 0.000 2.478 401 D HA 0.177 4.817 4.640 -0.000 0.000 0.274 401 D C 0.915 177.236 176.300 0.037 0.000 1.234 401 D CA -0.531 53.496 54.000 0.045 0.000 1.069 401 D CB 0.318 41.141 40.800 0.037 0.000 1.113 401 D HN 0.399 nan 8.370 nan 0.000 0.571 402 A N -0.538 122.300 122.820 0.029 0.000 2.070 402 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 402 A C 1.355 178.951 177.584 0.020 0.000 1.159 402 A CA 0.984 53.034 52.037 0.022 0.000 0.656 402 A CB -0.733 18.277 19.000 0.017 0.000 0.800 402 A HN 0.493 nan 8.150 nan 0.000 0.453 403 N N -0.725 117.989 118.700 0.022 0.000 2.314 403 N HA 0.206 4.946 4.740 -0.000 0.000 0.200 403 N C 1.099 176.623 175.510 0.023 0.000 1.135 403 N CA 0.869 53.931 53.050 0.020 0.000 0.835 403 N CB 0.345 38.843 38.487 0.019 0.000 0.989 403 N HN 0.565 nan 8.380 nan 0.000 0.478 404 G N 0.346 109.162 108.800 0.027 0.000 2.168 404 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.263 404 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.263 404 G C 0.251 175.171 174.900 0.034 0.000 0.977 404 G CA 0.297 45.414 45.100 0.028 0.000 0.659 404 G HN 0.370 nan 8.290 nan 0.000 0.533 405 Q N 0.586 120.410 119.800 0.040 0.000 2.259 405 Q HA 0.566 4.906 4.340 -0.000 0.000 0.246 405 Q C -2.226 173.819 176.000 0.076 0.000 0.920 405 Q CA -1.953 53.880 55.803 0.050 0.000 0.895 405 Q CB 1.006 29.771 28.738 0.045 0.000 1.220 405 Q HN 0.209 nan 8.270 nan 0.000 0.439 406 P HA 0.050 nan 4.420 nan 0.000 0.268 406 P C -1.131 176.286 177.300 0.195 0.000 1.205 406 P CA 0.119 63.330 63.100 0.185 0.000 0.771 406 P CB 0.428 32.258 31.700 0.217 0.000 0.858 407 L N 3.649 124.977 121.223 0.175 0.000 2.349 407 L HA 0.448 4.788 4.340 -0.000 0.000 0.278 407 L C 0.061 176.800 176.870 -0.218 0.000 0.996 407 L CA -0.937 53.908 54.840 0.008 0.000 0.825 407 L CB 1.446 43.506 42.059 0.001 0.000 1.243 407 L HN 0.313 nan 8.230 nan 0.000 0.412 408 R N 4.541 124.714 120.500 -0.546 0.000 2.210 408 R HA 0.293 4.633 4.340 -0.000 0.000 0.338 408 R C 0.518 176.416 176.300 -0.671 0.000 1.062 408 R CA -0.168 55.221 56.100 -1.186 0.000 0.902 408 R CB 0.816 30.300 30.300 -1.360 0.000 1.050 408 R HN 0.759 nan 8.270 nan 0.000 0.461 409 I N 2.636 122.807 120.570 -0.665 0.000 2.235 409 I HA 0.107 4.277 4.170 -0.000 0.000 0.241 409 I C 1.315 177.153 176.117 -0.464 0.000 1.085 409 I CA 1.414 62.399 61.300 -0.524 0.000 1.378 409 I CB -0.061 37.476 38.000 -0.771 0.000 1.076 409 I HN 0.909 nan 8.210 nan 0.000 0.415 410 G N -1.074 107.378 108.800 -0.579 0.000 2.332 410 G HA2 0.018 3.978 3.960 -0.000 0.000 0.265 410 G HA3 0.018 3.978 3.960 -0.000 0.000 0.265 410 G C -1.504 173.149 174.900 -0.412 0.000 1.329 410 G CA -0.841 43.980 45.100 -0.465 0.000 0.949 410 G HN 0.007 nan 8.290 nan 0.000 0.476 411 Y N 1.170 121.421 120.300 -0.081 0.000 2.504 411 Y HA 0.577 5.127 4.550 -0.000 0.000 0.339 411 Y C 0.854 176.750 175.900 -0.007 0.000 0.974 411 Y CA -0.803 57.296 58.100 -0.001 0.000 1.232 411 Y CB 0.863 39.390 38.460 0.111 0.000 1.108 411 Y HN 0.246 nan 8.280 nan 0.000 0.509 412 L N 6.184 127.421 121.223 0.023 0.000 2.343 412 L HA 0.423 4.762 4.340 -0.000 0.000 0.275 412 L C -1.990 174.941 176.870 0.101 0.000 1.056 412 L CA -2.327 52.487 54.840 -0.044 0.000 0.804 412 L CB 1.078 42.998 42.059 -0.231 0.000 1.203 412 L HN 0.390 nan 8.230 nan 0.000 0.440 413 P HA 0.151 nan 4.420 nan 0.000 0.265 413 P C -0.989 176.350 177.300 0.065 0.000 1.193 413 P CA 0.006 63.194 63.100 0.147 0.000 0.765 413 P CB 1.128 32.914 31.700 0.144 0.000 0.823 414 A N 2.087 124.945 122.820 0.063 0.000 2.593 414 A HA 0.599 4.919 4.320 -0.000 0.000 0.290 414 A C -0.645 176.838 177.584 -0.168 0.000 1.126 414 A CA -0.599 51.349 52.037 -0.149 0.000 0.695 414 A CB 1.363 20.106 19.000 -0.428 0.000 1.290 414 A HN 0.481 nan 8.150 nan 0.000 0.414 415 S N -0.553 114.977 115.700 -0.283 0.000 2.489 415 S HA 0.682 5.152 4.470 -0.000 0.000 0.291 415 S C -1.481 172.917 174.600 -0.336 0.000 1.151 415 S CA -0.208 57.904 58.200 -0.145 0.000 1.082 415 S CB 0.139 63.290 63.200 -0.081 0.000 1.019 415 S HN 0.501 nan 8.310 nan 0.000 0.492 416 W N 3.548 124.867 121.300 0.032 0.000 2.632 416 W HA 0.645 5.305 4.660 -0.000 0.000 0.328 416 W C 0.004 176.540 176.519 0.029 0.000 1.044 416 W CA -0.692 56.670 57.345 0.028 0.000 1.225 416 W CB 1.502 30.996 29.460 0.056 0.000 1.396 416 W HN 0.796 nan 8.180 nan 0.000 0.499 417 K N -0.011 120.535 120.400 0.243 0.000 2.495 417 K HA 0.892 5.212 4.320 -0.000 0.000 0.268 417 K C -2.032 174.650 176.600 0.135 0.000 1.008 417 K CA -0.990 55.392 56.287 0.158 0.000 0.882 417 K CB 2.143 34.691 32.500 0.079 0.000 1.443 417 K HN 0.253 nan 8.250 nan 0.000 0.447 418 V N 1.160 121.142 119.914 0.114 0.000 2.604 418 V HA 0.427 4.546 4.120 -0.000 0.000 0.305 418 V C -1.090 175.039 176.094 0.060 0.000 1.043 418 V CA -0.503 61.844 62.300 0.079 0.000 0.888 418 V CB 1.781 33.678 31.823 0.123 0.000 0.995 418 V HN 0.835 nan 8.190 nan 0.000 0.429 419 E N 4.788 125.013 120.200 0.043 0.000 2.343 419 E HA 0.455 4.805 4.350 -0.000 0.000 0.270 419 E C -2.805 173.828 176.600 0.054 0.000 0.895 419 E CA -2.174 54.248 56.400 0.036 0.000 0.767 419 E CB 2.564 32.271 29.700 0.011 0.000 1.248 419 E HN 0.383 nan 8.360 nan 0.000 0.440 420 P HA -0.033 nan 4.420 nan 0.000 0.268 420 P C -0.344 177.005 177.300 0.081 0.000 1.204 420 P CA 0.197 63.343 63.100 0.077 0.000 0.768 420 P CB 0.306 32.037 31.700 0.050 0.000 0.842 421 F N 3.119 123.055 119.950 -0.023 0.000 2.293 421 F HA -0.040 4.487 4.527 -0.000 0.000 0.297 421 F C 0.786 176.548 175.800 -0.064 0.000 1.089 421 F CA 1.072 59.027 58.000 -0.074 0.000 1.377 421 F CB 0.158 39.099 39.000 -0.098 0.000 1.051 421 F HN 0.339 nan 8.300 nan 0.000 0.511 422 N N -1.415 117.314 118.700 0.047 0.000 2.972 422 N HA 0.095 4.834 4.740 -0.000 0.000 0.262 422 N C 0.267 175.784 175.510 0.011 0.000 1.478 422 N CA -0.108 52.929 53.050 -0.022 0.000 0.841 422 N CB 0.070 38.599 38.487 0.069 0.000 1.512 422 N HN 0.154 nan 8.380 nan 0.000 0.548 423 E N -0.612 119.586 120.200 -0.003 0.000 2.160 423 E HA -0.280 4.069 4.350 -0.000 0.000 0.195 423 E C 1.410 178.029 176.600 0.032 0.000 0.991 423 E CA 0.774 57.178 56.400 0.007 0.000 0.810 423 E CB 0.059 29.759 29.700 0.000 0.000 0.742 423 E HN 0.543 nan 8.360 nan 0.000 0.466 424 R N 1.084 121.613 120.500 0.048 0.000 2.075 424 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 424 R C 2.304 178.648 176.300 0.073 0.000 1.126 424 R CA 1.385 57.520 56.100 0.060 0.000 0.963 424 R CB -0.387 29.955 30.300 0.069 0.000 0.858 424 R HN 0.294 nan 8.270 nan 0.000 0.435 425 A N 0.392 123.266 122.820 0.090 0.000 2.019 425 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 425 A C 2.261 179.898 177.584 0.089 0.000 1.164 425 A CA 1.346 53.445 52.037 0.104 0.000 0.644 425 A CB -0.291 18.787 19.000 0.130 0.000 0.805 425 A HN 0.217 nan 8.150 nan 0.000 0.449 426 V N -0.253 119.700 119.914 0.065 0.000 2.283 426 V HA -0.183 3.937 4.120 -0.000 0.000 0.243 426 V C 2.581 178.712 176.094 0.060 0.000 1.039 426 V CA 1.913 64.244 62.300 0.052 0.000 1.016 426 V CB -0.658 31.182 31.823 0.029 0.000 0.650 426 V HN 0.574 nan 8.190 nan 0.000 0.449 427 E N 0.584 120.818 120.200 0.056 0.000 2.070 427 E HA -0.259 4.091 4.350 -0.000 0.000 0.197 427 E C 1.713 178.359 176.600 0.076 0.000 1.004 427 E CA 1.775 58.208 56.400 0.056 0.000 0.805 427 E CB -0.243 29.484 29.700 0.045 0.000 0.744 427 E HN 0.610 nan 8.360 nan 0.000 0.451 428 D N 0.336 120.789 120.400 0.089 0.000 2.349 428 D HA -0.033 4.607 4.640 -0.000 0.000 0.224 428 D C -0.270 176.147 176.300 0.195 0.000 1.029 428 D CA 0.162 54.228 54.000 0.111 0.000 0.879 428 D CB 0.024 40.876 40.800 0.086 0.000 0.906 428 D HN 0.281 nan 8.370 nan 0.000 0.528 429 E N 0.690 120.997 120.200 0.178 0.000 2.271 429 E HA -0.184 4.166 4.350 -0.000 0.000 0.223 429 E C -0.127 176.635 176.600 0.271 0.000 1.223 429 E CA 0.054 56.574 56.400 0.200 0.000 0.704 429 E CB -0.726 29.128 29.700 0.256 0.000 1.194 429 E HN 0.199 nan 8.360 nan 0.000 0.375 430 D N -0.252 120.271 120.400 0.206 0.000 2.144 430 D HA -0.098 4.542 4.640 -0.000 0.000 0.199 430 D C 1.824 178.234 176.300 0.183 0.000 0.984 430 D CA 1.110 55.238 54.000 0.214 0.000 0.834 430 D CB 0.078 40.972 40.800 0.156 0.000 0.955 430 D HN 0.248 nan 8.370 nan 0.000 0.465 431 V N 0.839 120.826 119.914 0.120 0.000 2.594 431 V HA -0.203 3.917 4.120 -0.000 0.000 0.253 431 V C 2.301 178.421 176.094 0.043 0.000 1.069 431 V CA 1.385 63.745 62.300 0.099 0.000 1.082 431 V CB -0.411 31.454 31.823 0.069 0.000 0.680 431 V HN 0.200 nan 8.190 nan 0.000 0.469 432 K N -0.740 119.620 120.400 -0.068 0.000 2.186 432 K HA -0.014 4.305 4.320 -0.000 0.000 0.202 432 K C 1.824 178.192 176.600 -0.387 0.000 1.052 432 K CA 1.218 57.319 56.287 -0.309 0.000 0.965 432 K CB 0.021 32.172 32.500 -0.582 0.000 0.746 432 K HN 0.468 nan 8.250 nan 0.000 0.457 433 F N -0.257 119.735 119.950 0.070 0.000 2.602 433 F HA 0.279 4.806 4.527 -0.000 0.000 0.284 433 F C 2.155 178.007 175.800 0.086 0.000 1.111 433 F CA 0.155 58.192 58.000 0.063 0.000 1.405 433 F CB -0.012 39.020 39.000 0.053 0.000 1.121 433 F HN -0.022 nan 8.300 nan 0.000 0.603 434 A N 0.647 123.652 122.820 0.307 0.000 2.032 434 A HA 0.303 4.623 4.320 -0.000 0.000 0.221 434 A C 1.487 179.279 177.584 0.346 0.000 1.165 434 A CA 1.794 54.023 52.037 0.319 0.000 0.645 434 A CB -1.085 18.113 19.000 0.330 0.000 0.807 434 A HN 0.530 nan 8.150 nan 0.000 0.453 435 G N -1.451 107.466 108.800 0.195 0.000 2.320 435 G HA2 0.355 4.315 3.960 -0.000 0.000 0.274 435 G HA3 0.355 4.315 3.960 -0.000 0.000 0.274 435 G C -1.103 173.596 174.900 -0.336 0.000 1.324 435 G CA -0.331 44.657 45.100 -0.186 0.000 0.957 435 G HN 0.875 nan 8.290 nan 0.000 0.481 436 K N -1.262 118.732 120.400 -0.677 0.000 2.426 436 K HA 0.728 5.048 4.320 -0.000 0.000 0.254 436 K C -0.603 175.750 176.600 -0.413 0.000 0.936 436 K CA -1.082 54.978 56.287 -0.379 0.000 0.801 436 K CB 2.273 34.655 32.500 -0.197 0.000 1.139 436 K HN 0.611 nan 8.250 nan 0.000 0.424 437 M N 3.418 123.029 119.600 0.017 0.000 2.105 437 M HA 0.131 4.611 4.480 -0.000 0.000 0.350 437 M C -0.666 175.692 176.300 0.097 0.000 1.308 437 M CA 0.393 55.828 55.300 0.225 0.000 1.108 437 M CB 0.736 33.559 32.600 0.372 0.000 1.622 437 M HN 0.654 nan 8.290 nan 0.000 0.468 438 Q N 3.199 123.029 119.800 0.050 0.000 2.256 438 Q HA 0.523 4.863 4.340 -0.000 0.000 0.232 438 Q C 1.021 177.078 176.000 0.095 0.000 0.965 438 Q CA 0.019 55.842 55.803 0.034 0.000 0.908 438 Q CB 0.881 29.609 28.738 -0.016 0.000 1.209 438 Q HN 0.931 nan 8.270 nan 0.000 0.489 439 A N 1.591 124.472 122.820 0.102 0.000 1.972 439 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 439 A C 1.257 178.971 177.584 0.217 0.000 1.169 439 A CA 1.925 54.063 52.037 0.169 0.000 0.635 439 A CB -0.469 18.601 19.000 0.117 0.000 0.810 439 A HN 0.871 nan 8.150 nan 0.000 0.446 440 D N -1.762 118.694 120.400 0.094 0.000 2.363 440 D HA 0.232 4.872 4.640 -0.000 0.000 0.226 440 D C 1.134 177.368 176.300 -0.110 0.000 1.020 440 D CA 0.897 54.929 54.000 0.052 0.000 0.892 440 D CB -0.753 40.046 40.800 -0.001 0.000 0.900 440 D HN 0.836 nan 8.370 nan 0.000 0.531 441 G N -0.721 107.890 108.800 -0.315 0.000 2.141 441 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.242 441 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.242 441 G C -0.044 174.618 174.900 -0.397 0.000 0.982 441 G CA 0.120 44.653 45.100 -0.945 0.000 0.662 441 G HN 0.375 nan 8.290 nan 0.000 0.527 442 V N 1.067 120.876 119.914 -0.174 0.000 2.347 442 V HA 0.623 4.743 4.120 -0.000 0.000 0.280 442 V C -0.058 176.054 176.094 0.030 0.000 1.021 442 V CA -0.761 61.483 62.300 -0.093 0.000 0.847 442 V CB 1.345 33.100 31.823 -0.113 0.000 0.990 442 V HN 0.352 nan 8.190 nan 0.000 0.444 443 F N 5.857 125.787 119.950 -0.033 0.000 2.405 443 F HA 0.591 5.118 4.527 -0.000 0.000 0.355 443 F C -0.033 175.755 175.800 -0.019 0.000 1.121 443 F CA -0.399 57.615 58.000 0.023 0.000 1.112 443 F CB 1.304 40.384 39.000 0.133 0.000 1.126 443 F HN 0.264 nan 8.300 nan 0.000 0.481 444 V N 9.058 128.620 119.914 -0.587 0.000 2.318 444 V HA 0.301 4.420 4.120 -0.000 0.000 0.271 444 V C -1.885 173.854 176.094 -0.592 0.000 1.030 444 V CA -1.727 60.327 62.300 -0.411 0.000 0.844 444 V CB 0.619 32.272 31.823 -0.283 0.000 1.015 444 V HN 0.629 nan 8.190 nan 0.000 0.460 445 P HA 0.145 nan 4.420 nan 0.000 0.271 445 P C 0.428 177.695 177.300 -0.055 0.000 1.233 445 P CA 0.147 63.235 63.100 -0.021 0.000 0.789 445 P CB 0.884 32.669 31.700 0.142 0.000 0.951 446 G N -0.137 108.679 108.800 0.027 0.000 2.653 446 G HA2 0.417 4.377 3.960 -0.000 0.000 0.265 446 G HA3 0.417 4.377 3.960 -0.000 0.000 0.265 446 G C 0.323 175.237 174.900 0.023 0.000 1.237 446 G CA -0.279 44.837 45.100 0.027 0.000 0.946 446 G HN 0.603 nan 8.290 nan 0.000 0.522 447 G N -1.198 107.617 108.800 0.025 0.000 2.569 447 G HA2 0.601 4.561 3.960 -0.000 0.000 0.249 447 G HA3 0.601 4.561 3.960 -0.000 0.000 0.249 447 G C 0.444 175.359 174.900 0.025 0.000 1.216 447 G CA 0.395 45.507 45.100 0.021 0.000 0.845 447 G HN 0.967 nan 8.290 nan 0.000 0.568 448 A N -0.463 122.369 122.820 0.019 0.000 2.280 448 A HA 0.826 5.146 4.320 -0.000 0.000 0.268 448 A C 1.104 178.708 177.584 0.034 0.000 1.111 448 A CA 0.803 52.853 52.037 0.021 0.000 0.814 448 A CB -0.249 18.761 19.000 0.017 0.000 1.093 448 A HN 2.704 nan 8.150 nan 0.000 0.498 449 G N -1.315 107.511 108.800 0.044 0.000 2.746 449 G HA2 0.069 4.029 3.960 -0.000 0.000 0.685 449 G HA3 0.069 4.029 3.960 -0.000 0.000 0.685 449 G C -3.105 171.810 174.900 0.026 0.000 1.350 449 G CA -0.467 44.661 45.100 0.046 0.000 0.837 449 G HN 0.757 nan 8.290 nan 0.000 0.564 450 P HA 0.240 nan 4.420 nan 0.000 0.269 450 P C -0.208 177.082 177.300 -0.016 0.000 1.209 450 P CA -0.100 62.999 63.100 -0.001 0.000 0.776 450 P CB 0.505 32.206 31.700 0.002 0.000 0.876 451 N N 2.825 121.496 118.700 -0.049 0.000 2.564 451 N HA 0.224 4.964 4.740 -0.000 0.000 0.248 451 N C -1.820 173.636 175.510 -0.091 0.000 0.986 451 N CA -2.125 50.882 53.050 -0.071 0.000 0.921 451 N CB 0.875 39.288 38.487 -0.123 0.000 1.136 451 N HN 0.153 nan 8.380 nan 0.000 0.509 452 P HA -0.198 nan 4.420 nan 0.000 0.217 452 P C 0.686 177.956 177.300 -0.051 0.000 1.148 452 P CA 1.098 64.176 63.100 -0.037 0.000 0.834 452 P CB 0.302 31.995 31.700 -0.011 0.000 0.783 453 E N -0.790 119.375 120.200 -0.060 0.000 2.274 453 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 453 E C 0.884 177.372 176.600 -0.186 0.000 0.996 453 E CA 0.729 57.103 56.400 -0.044 0.000 0.840 453 E CB -0.115 29.636 29.700 0.086 0.000 0.772 453 E HN 0.404 nan 8.360 nan 0.000 0.491 454 R N 1.014 121.294 120.500 -0.367 0.000 2.543 454 R HA 0.284 4.624 4.340 -0.000 0.000 0.268 454 R C 0.319 176.501 176.300 -0.197 0.000 1.067 454 R CA -0.544 55.280 56.100 -0.459 0.000 1.142 454 R CB 0.793 30.740 30.300 -0.588 0.000 1.110 454 R HN -0.145 nan 8.270 nan 0.000 0.549 455 K N 1.657 121.974 120.400 -0.140 0.000 2.451 455 K HA -0.016 4.304 4.320 -0.000 0.000 0.280 455 K C 0.392 176.955 176.600 -0.062 0.000 1.020 455 K CA 0.584 56.833 56.287 -0.064 0.000 1.008 455 K CB 0.322 32.805 32.500 -0.028 0.000 0.917 455 K HN 0.577 nan 8.250 nan 0.000 0.478 456 M N 3.042 122.617 119.600 -0.041 0.000 2.751 456 M HA -0.292 4.188 4.480 -0.000 0.000 0.199 456 M C 0.319 176.595 176.300 -0.041 0.000 0.550 456 M CA 0.832 56.113 55.300 -0.031 0.000 0.640 456 M CB -1.529 31.058 32.600 -0.022 0.000 2.351 456 M HN 0.993 nan 8.290 nan 0.000 0.613 457 M N -2.533 117.031 119.600 -0.059 0.000 2.375 457 M HA -0.206 4.274 4.480 -0.000 0.000 0.197 457 M C -0.018 176.241 176.300 -0.068 0.000 0.414 457 M CA 1.711 56.971 55.300 -0.067 0.000 0.442 457 M CB -2.290 30.286 32.600 -0.039 0.000 1.527 457 M HN 0.431 nan 8.290 nan 0.000 0.864 458 T N 1.690 116.194 114.554 -0.083 0.000 2.734 458 T HA 0.282 4.632 4.350 -0.000 0.000 0.314 458 T C 0.525 175.181 174.700 -0.073 0.000 1.057 458 T CA 0.487 62.549 62.100 -0.064 0.000 1.047 458 T CB 0.430 69.265 68.868 -0.055 0.000 0.991 458 T HN 0.758 nan 8.240 nan 0.000 0.540 459 N N 2.044 120.723 118.700 -0.034 0.000 2.354 459 N HA 0.157 4.897 4.740 -0.000 0.000 0.246 459 N C 0.148 175.650 175.510 -0.014 0.000 1.285 459 N CA -0.541 52.499 53.050 -0.017 0.000 0.925 459 N CB 0.226 38.717 38.487 0.007 0.000 1.174 459 N HN 0.466 nan 8.380 nan 0.000 0.478 460 N N 0.359 119.073 118.700 0.024 0.000 2.878 460 N HA 0.132 4.872 4.740 -0.000 0.000 0.282 460 N C -0.749 174.823 175.510 0.104 0.000 1.284 460 N CA -0.058 53.043 53.050 0.085 0.000 1.053 460 N CB -0.433 38.122 38.487 0.114 0.000 1.382 460 N HN 0.483 nan 8.380 nan 0.000 0.529 461 A N -0.414 122.450 122.820 0.073 0.000 2.271 461 A HA 0.856 5.176 4.320 -0.000 0.000 0.288 461 A C 0.703 178.343 177.584 0.094 0.000 1.094 461 A CA -0.275 51.803 52.037 0.068 0.000 0.828 461 A CB 0.870 19.891 19.000 0.036 0.000 1.091 461 A HN 0.304 nan 8.150 nan 0.000 0.493 462 G N -0.079 108.767 108.800 0.076 0.000 2.673 462 G HA2 0.438 4.398 3.960 -0.000 0.000 0.292 462 G HA3 0.438 4.398 3.960 -0.000 0.000 0.292 462 G C -1.812 173.118 174.900 0.051 0.000 1.450 462 G CA -0.612 44.539 45.100 0.085 0.000 0.837 462 G HN 0.665 nan 8.290 nan 0.000 0.505 463 N N 0.625 119.376 118.700 0.086 0.000 2.564 463 N HA 0.524 5.263 4.740 -0.000 0.000 0.248 463 N C -0.569 175.035 175.510 0.157 0.000 0.986 463 N CA -0.337 52.778 53.050 0.109 0.000 0.921 463 N CB 0.732 39.315 38.487 0.160 0.000 1.136 463 N HN 0.433 nan 8.380 nan 0.000 0.509 464 L N 1.272 122.555 121.223 0.100 0.000 2.319 464 L HA 0.559 4.899 4.340 -0.000 0.000 0.267 464 L C 0.286 177.272 176.870 0.194 0.000 1.011 464 L CA -1.008 53.895 54.840 0.105 0.000 0.818 464 L CB 1.968 43.984 42.059 -0.071 0.000 1.316 464 L HN 0.205 nan 8.230 nan 0.000 0.432 465 K N 1.013 121.520 120.400 0.177 0.000 2.307 465 K HA 0.502 4.822 4.320 -0.000 0.000 0.263 465 K C -1.316 175.302 176.600 0.030 0.000 0.973 465 K CA -0.529 55.864 56.287 0.177 0.000 0.846 465 K CB 1.672 34.252 32.500 0.133 0.000 1.100 465 K HN 0.322 nan 8.250 nan 0.000 0.438 466 V N 6.385 126.274 119.914 -0.041 0.000 2.385 466 V HA 0.268 4.388 4.120 -0.000 0.000 0.269 466 V C -0.031 176.057 176.094 -0.009 0.000 1.043 466 V CA -0.679 61.548 62.300 -0.123 0.000 0.906 466 V CB 0.802 32.318 31.823 -0.512 0.000 0.995 466 V HN 0.633 nan 8.190 nan 0.000 0.467 467 I N 4.585 125.172 120.570 0.027 0.000 2.354 467 I HA 0.655 4.825 4.170 -0.000 0.000 0.292 467 I C 0.394 176.413 176.117 -0.162 0.000 0.989 467 I CA -0.453 60.824 61.300 -0.038 0.000 1.188 467 I CB 1.349 39.323 38.000 -0.042 0.000 1.342 467 I HN 0.616 nan 8.210 nan 0.000 0.457 468 A N 4.872 127.460 122.820 -0.387 0.000 2.318 468 A HA 0.786 5.105 4.320 -0.000 0.000 0.324 468 A C 0.045 177.341 177.584 -0.481 0.000 1.170 468 A CA -0.463 51.048 52.037 -0.877 0.000 0.810 468 A CB 0.888 19.103 19.000 -1.308 0.000 1.198 468 A HN 0.767 nan 8.150 nan 0.000 0.484 469 T N 1.014 115.303 114.554 -0.441 0.000 2.847 469 T HA 0.531 4.881 4.350 -0.000 0.000 0.291 469 T C -0.443 174.122 174.700 -0.225 0.000 0.998 469 T CA -0.657 61.295 62.100 -0.247 0.000 0.967 469 T CB 0.456 69.227 68.868 -0.162 0.000 0.954 469 T HN 0.329 nan 8.240 nan 0.000 0.441 470 L N 3.137 124.261 121.223 -0.166 0.000 2.525 470 L HA 0.371 4.710 4.340 -0.000 0.000 0.278 470 L C 1.708 178.536 176.870 -0.069 0.000 1.218 470 L CA 0.403 55.174 54.840 -0.115 0.000 0.878 470 L CB 0.071 42.080 42.059 -0.083 0.000 1.127 470 L HN 0.971 nan 8.230 nan 0.000 0.492 471 A N 2.547 125.343 122.820 -0.041 0.000 2.014 471 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 471 A C 0.987 178.578 177.584 0.011 0.000 1.163 471 A CA 0.846 52.879 52.037 -0.007 0.000 0.652 471 A CB -0.374 18.639 19.000 0.021 0.000 0.808 471 A HN 0.750 nan 8.150 nan 0.000 0.449 472 D N -0.921 119.489 120.400 0.016 0.000 2.522 472 D HA 0.416 5.056 4.640 -0.000 0.000 0.218 472 D C 0.985 177.301 176.300 0.028 0.000 1.149 472 D CA 0.810 54.835 54.000 0.042 0.000 0.981 472 D CB -0.477 40.372 40.800 0.081 0.000 1.041 472 D HN 0.436 nan 8.370 nan 0.000 0.518 473 G N 1.785 110.595 108.800 0.017 0.000 2.213 473 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.226 473 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.226 473 G C 1.096 175.991 174.900 -0.008 0.000 0.992 473 G CA 0.104 45.210 45.100 0.010 0.000 0.632 473 G HN 1.381 nan 8.290 nan 0.000 0.511 474 G N -0.792 107.994 108.800 -0.022 0.000 2.160 474 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.251 474 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.251 474 G C 0.168 175.040 174.900 -0.046 0.000 1.008 474 G CA 1.206 46.284 45.100 -0.038 0.000 0.724 474 G HN 1.294 nan 8.290 nan 0.000 0.514 475 Q N 1.142 120.914 119.800 -0.045 0.000 2.304 475 Q HA 0.531 4.871 4.340 -0.000 0.000 0.260 475 Q C 0.952 176.909 176.000 -0.072 0.000 0.965 475 Q CA 0.648 56.424 55.803 -0.046 0.000 0.898 475 Q CB 1.047 29.767 28.738 -0.030 0.000 1.196 475 Q HN 0.555 nan 8.270 nan 0.000 0.402 476 T N -1.082 113.429 114.554 -0.070 0.000 2.902 476 T HA 0.834 5.184 4.350 -0.000 0.000 0.280 476 T C 0.248 174.902 174.700 -0.077 0.000 0.992 476 T CA -0.525 61.519 62.100 -0.094 0.000 1.015 476 T CB 1.549 70.367 68.868 -0.083 0.000 1.044 476 T HN 0.580 nan 8.240 nan 0.000 0.520 477 G N 0.077 108.820 108.800 -0.095 0.000 2.660 477 G HA2 0.599 4.559 3.960 -0.000 0.000 0.294 477 G HA3 0.599 4.559 3.960 -0.000 0.000 0.294 477 G C -1.758 173.119 174.900 -0.039 0.000 1.369 477 G CA -0.834 44.236 45.100 -0.050 0.000 0.912 477 G HN 0.792 nan 8.290 nan 0.000 0.479 478 E N -0.797 119.406 120.200 0.006 0.000 2.248 478 E HA 0.618 4.968 4.350 -0.000 0.000 0.267 478 E C -0.181 176.467 176.600 0.080 0.000 0.877 478 E CA -0.754 55.663 56.400 0.028 0.000 0.759 478 E CB 2.511 32.221 29.700 0.017 0.000 1.182 478 E HN 0.709 nan 8.360 nan 0.000 0.418 479 G N 0.954 109.805 108.800 0.084 0.000 2.630 479 G HA2 0.349 4.308 3.960 -0.000 0.000 0.296 479 G HA3 0.349 4.308 3.960 -0.000 0.000 0.296 479 G C -1.697 173.313 174.900 0.183 0.000 1.285 479 G CA -0.434 44.740 45.100 0.124 0.000 0.958 479 G HN 0.560 nan 8.290 nan 0.000 0.479 480 H N -0.012 119.119 119.070 0.102 0.000 2.589 480 H HA 0.616 5.172 4.556 -0.000 0.000 0.335 480 H C -1.004 174.294 175.328 -0.049 0.000 1.019 480 H CA -0.766 55.322 56.048 0.065 0.000 1.213 480 H CB 1.531 31.373 29.762 0.133 0.000 1.472 480 H HN 0.434 nan 8.280 nan 0.000 0.508 481 M N 6.967 126.579 119.600 0.020 0.000 2.326 481 M HA 0.417 4.896 4.480 -0.000 0.000 0.306 481 M C -1.889 174.255 176.300 -0.260 0.000 1.054 481 M CA -0.786 54.381 55.300 -0.221 0.000 0.922 481 M CB 1.483 33.997 32.600 -0.142 0.000 1.632 481 M HN 0.578 nan 8.290 nan 0.000 0.436 482 I N 4.888 125.231 120.570 -0.378 0.000 2.362 482 I HA 0.364 4.534 4.170 -0.000 0.000 0.289 482 I C -0.793 175.217 176.117 -0.179 0.000 0.994 482 I CA -0.921 60.236 61.300 -0.239 0.000 1.158 482 I CB 2.014 39.876 38.000 -0.229 0.000 1.315 482 I HN 0.381 nan 8.210 nan 0.000 0.451 483 V N 6.110 125.966 119.914 -0.097 0.000 2.348 483 V HA 0.372 4.492 4.120 -0.000 0.000 0.270 483 V C 0.429 176.514 176.094 -0.015 0.000 1.037 483 V CA -0.269 62.014 62.300 -0.029 0.000 0.872 483 V CB 0.819 32.684 31.823 0.071 0.000 1.002 483 V HN 0.884 nan 8.190 nan 0.000 0.464 484 T N 1.886 116.419 114.554 -0.036 0.000 2.768 484 T HA 0.727 5.077 4.350 -0.000 0.000 0.268 484 T C 0.263 174.935 174.700 -0.047 0.000 0.969 484 T CA -0.574 61.505 62.100 -0.035 0.000 1.008 484 T CB 1.549 70.388 68.868 -0.049 0.000 1.371 484 T HN 0.577 nan 8.240 nan 0.000 0.587 485 V N -0.339 119.539 119.914 -0.060 0.000 3.319 485 V HA 0.443 4.563 4.120 -0.000 0.000 0.303 485 V C -0.203 175.777 176.094 -0.190 0.000 1.094 485 V CA -0.858 61.383 62.300 -0.098 0.000 1.106 485 V CB -0.392 31.393 31.823 -0.064 0.000 1.099 485 V HN 0.871 nan 8.190 nan 0.000 0.476 486 Q N 1.416 121.018 119.800 -0.330 0.000 2.316 486 Q HA 0.628 4.968 4.340 -0.000 0.000 0.215 486 Q C -0.213 175.368 176.000 -0.699 0.000 1.020 486 Q CA -0.578 54.916 55.803 -0.516 0.000 0.970 486 Q CB 0.428 28.750 28.738 -0.693 0.000 1.187 486 Q HN 0.907 nan 8.270 nan 0.000 0.546 487 R N -0.475 119.644 120.500 -0.635 0.000 2.575 487 R HA 0.387 4.727 4.340 -0.000 0.000 0.293 487 R C -0.684 175.398 176.300 -0.364 0.000 0.983 487 R CA -0.728 55.127 56.100 -0.407 0.000 0.887 487 R CB 0.857 31.065 30.300 -0.153 0.000 1.184 487 R HN 0.714 nan 8.270 nan 0.000 0.445 488 W N 1.348 122.641 121.300 -0.011 0.000 2.942 488 W HA 0.107 4.767 4.660 -0.000 0.000 0.263 488 W C 0.196 176.710 176.519 -0.008 0.000 1.296 488 W CA -0.171 57.169 57.345 -0.009 0.000 1.504 488 W CB 0.394 29.851 29.460 -0.006 0.000 1.096 488 W HN 0.614 nan 8.180 nan 0.000 0.639 489 N N 1.887 120.716 118.700 0.216 0.000 2.462 489 N HA 0.077 4.816 4.740 -0.000 0.000 0.242 489 N C -1.187 174.359 175.510 0.060 0.000 1.010 489 N CA 0.078 53.201 53.050 0.121 0.000 0.939 489 N CB 0.105 38.653 38.487 0.101 0.000 1.127 489 N HN -0.148 nan 8.380 nan 0.000 0.509 490 N N 3.668 122.393 118.700 0.042 0.000 2.762 490 N HA 0.321 5.061 4.740 -0.000 0.000 0.252 490 N C -2.620 172.894 175.510 0.007 0.000 1.269 490 N CA -0.908 52.148 53.050 0.010 0.000 0.799 490 N CB 1.346 39.827 38.487 -0.010 0.000 1.173 490 N HN 0.487 nan 8.380 nan 0.000 0.516 491 P HA 0.244 nan 4.420 nan 0.000 0.274 491 P C -1.796 175.494 177.300 -0.015 0.000 1.256 491 P CA -1.164 61.934 63.100 -0.004 0.000 0.795 491 P CB 0.572 32.267 31.700 -0.010 0.000 1.038 492 P HA -0.068 nan 4.420 nan 0.000 0.217 492 P C -0.190 177.088 177.300 -0.036 0.000 1.148 492 P CA 1.367 64.456 63.100 -0.020 0.000 0.828 492 P CB 0.121 31.804 31.700 -0.028 0.000 0.783 493 L N -0.016 121.175 121.223 -0.053 0.000 2.341 493 L HA 0.423 4.763 4.340 -0.000 0.000 0.278 493 L C -2.142 174.700 176.870 -0.047 0.000 1.005 493 L CA -2.514 52.287 54.840 -0.065 0.000 0.818 493 L CB 2.097 44.096 42.059 -0.100 0.000 1.259 493 L HN -0.185 nan 8.230 nan 0.000 0.418 494 P HA 0.000 nan 4.420 nan 0.000 0.216 494 P CA 0.000 63.110 63.100 0.016 0.000 0.800 494 P CB 0.000 31.721 31.700 0.036 0.000 0.726