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 3gxm_1_C DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFDPPT FPALGTFSRY ESTRSGRRME DATA SEQUENCE LSMGPIQANH TGTGLLLTLQ PEQKFQKVKG FGGAMTDAAA LNILALSPPA DATA SEQUENCE QNLLLKSYFS EEGIGYNIIR VPMASCDFSI RTYTYADTPD DFQLHNFSLP DATA SEQUENCE EEDTKLKIPL IHRALQLAQR PVSLLASPWT SPTWLKTNGA VNGKGSLKGQ DATA SEQUENCE PGDIYHQTWA RYFVKFLDAY AEHKLQFWAV TAENEPSAGL LSGYPFQCLG DATA SEQUENCE FTPEHQRDFI ARDLGPTLAN STHHNVRLLM LDDQRLLLPH WAKVVLTDPE DATA SEQUENCE AAKYVHGIAV HWYLDFLAPA KATLGETHRL FPNTMLFASE ACVGSKFWEQ DATA SEQUENCE SVRLGSWDRG MQYSHSIITN LLYHVVGWTD WNLALNPEGG PNWVRNFVDS DATA SEQUENCE PIIVDITKDT FYKQPMFYHL GHFSKFIPEG SQRVGLVASQ KNDLDAVALM DATA SEQUENCE HPDGSAVVVV LNRSSKDVPL TIKDPAVGFL ETISPGYSIH TYLWHRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.559 177.584 -0.042 0.000 1.274 1 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 1 A CB 0.000 18.994 19.000 -0.011 0.000 0.831 2 R N 1.305 121.744 120.500 -0.101 0.000 2.437 2 R HA 0.545 4.886 4.340 0.002 0.000 0.310 2 R C -2.805 173.455 176.300 -0.067 0.000 0.955 2 R CA -1.913 54.123 56.100 -0.106 0.000 0.851 2 R CB 1.974 32.084 30.300 -0.317 0.000 1.161 2 R HN 0.356 nan 8.270 nan 0.000 0.446 3 P HA -0.013 nan 4.420 nan 0.000 0.273 3 P C -0.135 177.222 177.300 0.096 0.000 1.250 3 P CA -0.543 62.585 63.100 0.047 0.000 0.793 3 P CB 0.670 32.404 31.700 0.057 0.000 1.011 4 c N 2.847 121.473 118.600 0.044 0.000 2.648 4 c HA 0.208 4.778 4.570 0.002 0.000 0.419 4 c C 0.528 174.648 174.090 0.051 0.000 1.352 4 c CA -0.532 55.828 56.329 0.051 0.000 1.816 4 c CB -1.851 40.643 42.510 -0.027 0.000 2.598 4 c HN 0.272 nan 8.230 nan 0.000 0.598 5 I N 9.180 129.786 120.570 0.059 0.000 2.291 5 I HA 0.317 4.488 4.170 0.002 0.000 0.292 5 I C -1.733 174.381 176.117 -0.005 0.000 1.064 5 I CA -2.143 59.137 61.300 -0.033 0.000 1.269 5 I CB 0.789 38.700 38.000 -0.148 0.000 1.418 5 I HN 0.586 nan 8.210 nan 0.000 0.485 6 P HA 0.397 nan 4.420 nan 0.000 0.286 6 P C -0.835 176.458 177.300 -0.012 0.000 1.261 6 P CA -0.705 62.395 63.100 0.001 0.000 0.821 6 P CB 1.928 33.618 31.700 -0.017 0.000 1.013 7 K N 0.709 121.115 120.400 0.009 0.000 2.501 7 K HA 0.485 4.806 4.320 0.002 0.000 0.252 7 K C -1.071 175.479 176.600 -0.082 0.000 0.934 7 K CA -0.566 55.675 56.287 -0.076 0.000 0.797 7 K CB 1.870 34.329 32.500 -0.069 0.000 1.270 7 K HN 0.349 nan 8.250 nan 0.000 0.431 8 S N 2.498 118.062 115.700 -0.226 0.000 2.565 8 S HA 0.561 5.032 4.470 0.002 0.000 0.290 8 S C -0.631 173.707 174.600 -0.437 0.000 1.150 8 S CA -0.528 57.573 58.200 -0.165 0.000 1.058 8 S CB 0.382 63.501 63.200 -0.135 0.000 1.032 8 S HN 0.524 nan 8.310 nan 0.000 0.510 9 F N 2.029 121.926 119.950 -0.089 0.000 2.764 9 F HA 0.377 4.905 4.527 0.002 0.000 0.310 9 F C 1.562 177.149 175.800 -0.354 0.000 1.124 9 F CA 0.080 57.992 58.000 -0.147 0.000 1.252 9 F CB 0.715 39.684 39.000 -0.052 0.000 1.010 9 F HN 0.879 nan 8.300 nan 0.000 0.518 10 G N -0.510 108.171 108.800 -0.198 0.000 2.159 10 G HA2 -0.325 3.636 3.960 0.002 0.000 0.256 10 G HA3 -0.325 3.636 3.960 0.002 0.000 0.256 10 G C 0.071 174.735 174.900 -0.394 0.000 0.977 10 G CA -0.087 44.827 45.100 -0.310 0.000 0.652 10 G HN 0.394 nan 8.290 nan 0.000 0.531 11 Y N 0.419 120.768 120.300 0.082 0.000 2.518 11 Y HA 0.459 5.010 4.550 0.001 0.000 0.332 11 Y C 2.169 178.102 175.900 0.055 0.000 1.276 11 Y CA -0.043 58.100 58.100 0.072 0.000 1.418 11 Y CB 0.680 39.191 38.460 0.086 0.000 1.527 11 Y HN 0.197 nan 8.280 nan 0.000 0.549 12 S N -1.385 114.462 115.700 0.244 0.000 2.474 12 S HA -0.022 4.449 4.470 0.002 0.000 0.235 12 S C 0.702 175.345 174.600 0.071 0.000 0.997 12 S CA 0.923 59.187 58.200 0.108 0.000 0.949 12 S CB -0.122 63.128 63.200 0.083 0.000 0.766 12 S HN 0.488 nan 8.310 nan 0.000 0.517 13 S N -0.596 115.199 115.700 0.159 0.000 2.998 13 S HA 0.722 5.193 4.470 0.002 0.000 0.321 13 S C -0.997 173.697 174.600 0.157 0.000 1.171 13 S CA -0.187 58.086 58.200 0.122 0.000 0.882 13 S CB 1.062 64.385 63.200 0.205 0.000 1.301 13 S HN 0.784 nan 8.310 nan 0.000 0.629 14 V N 0.766 120.768 119.914 0.147 0.000 2.919 14 V HA 0.951 5.072 4.120 0.002 0.000 0.316 14 V C -0.038 176.170 176.094 0.191 0.000 1.077 14 V CA -0.612 61.773 62.300 0.142 0.000 0.977 14 V CB 1.023 32.884 31.823 0.063 0.000 1.039 14 V HN 0.889 nan 8.190 nan 0.000 0.441 15 V N -0.526 119.507 119.914 0.198 0.000 2.837 15 V HA 0.665 4.786 4.120 0.002 0.000 0.310 15 V C 0.118 176.324 176.094 0.187 0.000 1.059 15 V CA -0.505 61.925 62.300 0.216 0.000 1.004 15 V CB 1.154 33.094 31.823 0.196 0.000 1.045 15 V HN 1.082 nan 8.190 nan 0.000 0.465 16 c N 3.069 121.793 118.600 0.207 0.000 2.273 16 c HA 0.621 5.192 4.570 0.002 0.000 0.328 16 c C 0.352 174.517 174.090 0.124 0.000 1.275 16 c CA -0.682 55.734 56.329 0.145 0.000 1.704 16 c CB -0.003 42.605 42.510 0.163 0.000 2.326 16 c HN 0.752 nan 8.230 nan 0.000 0.517 17 V N 3.269 123.249 119.914 0.110 0.000 2.488 17 V HA 0.313 4.434 4.120 0.002 0.000 0.277 17 V C 0.288 176.308 176.094 -0.123 0.000 1.046 17 V CA -0.012 62.328 62.300 0.066 0.000 0.986 17 V CB 0.349 32.250 31.823 0.130 0.000 0.989 17 V HN 1.049 nan 8.190 nan 0.000 0.475 18 c N 5.489 123.838 118.600 -0.419 0.000 2.634 18 c HA 0.791 5.362 4.570 0.002 0.000 0.313 18 c C 0.223 173.938 174.090 -0.626 0.000 1.198 18 c CA -0.735 55.203 56.329 -0.651 0.000 1.605 18 c CB 1.508 43.122 42.510 -1.493 0.000 2.196 18 c HN 1.095 nan 8.230 nan 0.000 0.486 19 N N 0.764 119.281 118.700 -0.305 0.000 3.600 19 N HA 0.548 5.289 4.740 0.002 0.000 0.348 19 N C 0.370 175.889 175.510 0.014 0.000 1.649 19 N CA -0.054 52.924 53.050 -0.120 0.000 0.710 19 N CB 0.052 38.500 38.487 -0.066 0.000 2.380 19 N HN 0.471 nan 8.380 nan 0.000 0.631 20 A N -1.257 121.588 122.820 0.041 0.000 2.066 20 A HA 0.064 4.385 4.320 0.002 0.000 0.218 20 A C 1.340 178.957 177.584 0.055 0.000 1.157 20 A CA 2.059 54.133 52.037 0.062 0.000 0.670 20 A CB -1.123 17.904 19.000 0.044 0.000 0.804 20 A HN 0.853 nan 8.150 nan 0.000 0.453 21 T N -6.153 108.435 114.554 0.056 0.000 3.043 21 T HA 0.379 4.730 4.350 0.002 0.000 0.272 21 T C -0.229 174.529 174.700 0.096 0.000 0.990 21 T CA -0.166 61.971 62.100 0.063 0.000 0.897 21 T CB -0.158 68.747 68.868 0.061 0.000 1.111 21 T HN 0.281 nan 8.240 nan 0.000 0.529 22 Y N 0.249 120.517 120.300 -0.053 0.000 2.358 22 Y HA 0.557 5.108 4.550 0.002 0.000 0.324 22 Y C -1.567 174.256 175.900 -0.129 0.000 1.123 22 Y CA -1.416 56.638 58.100 -0.077 0.000 1.067 22 Y CB 1.539 39.950 38.460 -0.080 0.000 1.230 22 Y HN 0.325 nan 8.280 nan 0.000 0.429 23 c N 6.507 124.811 118.600 -0.494 0.000 2.985 23 c HA 0.419 4.990 4.570 0.002 0.000 0.314 23 c C -1.221 172.580 174.090 -0.481 0.000 1.215 23 c CA -0.780 55.351 56.329 -0.329 0.000 1.414 23 c CB 0.920 43.335 42.510 -0.159 0.000 1.842 23 c HN 0.924 nan 8.230 nan 0.000 0.477 24 D N 2.983 123.241 120.400 -0.236 0.000 2.443 24 D HA 0.379 5.020 4.640 0.002 0.000 0.239 24 D C -0.136 176.000 176.300 -0.273 0.000 1.136 24 D CA 0.393 54.263 54.000 -0.218 0.000 0.879 24 D CB 0.953 41.709 40.800 -0.073 0.000 1.195 24 D HN 0.777 nan 8.370 nan 0.000 0.443 25 S N -0.063 115.433 115.700 -0.341 0.000 2.656 25 S HA 0.677 5.148 4.470 0.002 0.000 0.273 25 S C -0.967 173.356 174.600 -0.462 0.000 1.168 25 S CA -1.056 56.936 58.200 -0.346 0.000 0.817 25 S CB 0.890 63.996 63.200 -0.157 0.000 1.146 25 S HN 0.404 nan 8.310 nan 0.000 0.475 26 F N 0.770 120.744 119.950 0.040 0.000 2.483 26 F HA 0.534 5.062 4.527 0.002 0.000 0.329 26 F C 0.648 176.468 175.800 0.034 0.000 1.064 26 F CA -0.763 57.273 58.000 0.061 0.000 0.986 26 F CB 0.884 39.925 39.000 0.068 0.000 1.218 26 F HN 0.478 nan 8.300 nan 0.000 0.484 27 D N 1.355 121.907 120.400 0.254 0.000 2.344 27 D HA 0.211 4.852 4.640 0.002 0.000 0.244 27 D C -2.333 174.033 176.300 0.110 0.000 1.134 27 D CA -1.198 52.880 54.000 0.129 0.000 0.930 27 D CB 0.572 41.422 40.800 0.082 0.000 1.175 27 D HN 0.073 nan 8.370 nan 0.000 0.437 28 P HA 0.087 nan 4.420 nan 0.000 0.261 28 P C -2.379 174.915 177.300 -0.010 0.000 1.183 28 P CA -0.652 62.470 63.100 0.036 0.000 0.761 28 P CB -0.355 31.361 31.700 0.027 0.000 0.785 29 P HA -0.036 nan 4.420 nan 0.000 0.263 29 P C -0.619 176.509 177.300 -0.285 0.000 1.168 29 P CA 0.909 63.914 63.100 -0.158 0.000 0.759 29 P CB 0.165 31.922 31.700 0.094 0.000 0.782 30 T N 3.405 117.546 114.554 -0.689 0.000 3.355 30 T HA 0.425 4.776 4.350 0.002 0.000 0.324 30 T C -0.905 173.444 174.700 -0.585 0.000 0.932 30 T CA -0.250 61.597 62.100 -0.423 0.000 1.032 30 T CB -0.056 68.681 68.868 -0.218 0.000 1.027 30 T HN -0.005 nan 8.240 nan 0.000 0.456 31 F N 4.089 124.086 119.950 0.077 0.000 2.458 31 F HA 0.601 5.129 4.527 0.002 0.000 0.336 31 F C -1.564 174.165 175.800 -0.118 0.000 1.114 31 F CA -2.231 55.767 58.000 -0.004 0.000 0.987 31 F CB 1.052 40.071 39.000 0.031 0.000 1.130 31 F HN 0.284 nan 8.300 nan 0.000 0.458 32 P HA 0.346 nan 4.420 nan 0.000 0.277 32 P C -0.752 176.472 177.300 -0.128 0.000 1.276 32 P CA -0.490 62.575 63.100 -0.058 0.000 0.788 32 P CB 0.632 32.301 31.700 -0.051 0.000 1.114 33 A N 0.353 123.162 122.820 -0.020 0.000 2.406 33 A HA 0.192 4.513 4.320 0.002 0.000 0.243 33 A C 0.305 177.922 177.584 0.055 0.000 1.082 33 A CA -0.422 51.644 52.037 0.049 0.000 0.786 33 A CB -0.546 18.483 19.000 0.049 0.000 1.029 33 A HN 0.618 nan 8.150 nan 0.000 0.495 34 L N 1.420 122.722 121.223 0.132 0.000 2.593 34 L HA 0.337 4.678 4.340 0.002 0.000 0.287 34 L C 1.376 178.290 176.870 0.075 0.000 1.243 34 L CA 2.293 57.213 54.840 0.134 0.000 0.890 34 L CB -0.162 41.975 42.059 0.130 0.000 1.134 34 L HN 1.722 nan 8.230 nan 0.000 0.502 35 G N 2.066 110.905 108.800 0.064 0.000 2.175 35 G HA2 -0.237 3.724 3.960 0.002 0.000 0.244 35 G HA3 -0.237 3.724 3.960 0.002 0.000 0.244 35 G C 0.399 175.311 174.900 0.019 0.000 0.982 35 G CA 0.212 45.327 45.100 0.025 0.000 0.641 35 G HN 0.892 nan 8.290 nan 0.000 0.527 36 T N 1.074 115.644 114.554 0.027 0.000 2.841 36 T HA 0.633 4.984 4.350 0.002 0.000 0.283 36 T C -0.348 174.394 174.700 0.070 0.000 1.000 36 T CA -0.116 61.972 62.100 -0.021 0.000 0.977 36 T CB 1.539 70.361 68.868 -0.077 0.000 0.979 36 T HN 0.846 nan 8.240 nan 0.000 0.446 37 F N 0.187 120.161 119.950 0.039 0.000 2.483 37 F HA 0.890 5.418 4.527 0.002 0.000 0.329 37 F C -0.048 175.822 175.800 0.115 0.000 1.064 37 F CA -1.040 57.043 58.000 0.139 0.000 0.986 37 F CB 1.073 40.168 39.000 0.159 0.000 1.218 37 F HN 0.335 nan 8.300 nan 0.000 0.484 38 S N 1.285 117.205 115.700 0.366 0.000 2.501 38 S HA 0.629 5.099 4.470 0.002 0.000 0.301 38 S C -0.970 173.807 174.600 0.295 0.000 1.096 38 S CA -0.834 57.488 58.200 0.203 0.000 1.063 38 S CB 1.326 64.711 63.200 0.308 0.000 1.042 38 S HN 0.765 nan 8.310 nan 0.000 0.494 39 R N 2.220 122.722 120.500 0.003 0.000 2.514 39 R HA 0.410 4.751 4.340 0.002 0.000 0.296 39 R C -2.015 174.027 176.300 -0.430 0.000 1.012 39 R CA -0.454 55.519 56.100 -0.212 0.000 0.897 39 R CB 0.727 30.935 30.300 -0.153 0.000 1.184 39 R HN 0.603 nan 8.270 nan 0.000 0.440 40 Y N 1.954 122.067 120.300 -0.312 0.000 2.330 40 Y HA 0.314 4.865 4.550 0.002 0.000 0.336 40 Y C 0.092 175.960 175.900 -0.053 0.000 1.036 40 Y CA -0.480 57.511 58.100 -0.182 0.000 1.125 40 Y CB 1.688 39.991 38.460 -0.262 0.000 1.194 40 Y HN 0.548 nan 8.280 nan 0.000 0.469 41 E N 1.714 122.018 120.200 0.172 0.000 2.256 41 E HA 0.653 5.004 4.350 0.002 0.000 0.268 41 E C -1.539 175.275 176.600 0.356 0.000 0.877 41 E CA -0.631 55.913 56.400 0.239 0.000 0.757 41 E CB 1.256 30.954 29.700 -0.004 0.000 1.183 41 E HN 0.587 nan 8.360 nan 0.000 0.418 42 S N 2.209 118.152 115.700 0.406 0.000 2.500 42 S HA 0.581 5.052 4.470 0.002 0.000 0.301 42 S C -0.858 173.917 174.600 0.292 0.000 1.092 42 S CA -0.782 57.631 58.200 0.355 0.000 1.030 42 S CB 1.745 65.226 63.200 0.468 0.000 1.031 42 S HN 0.641 nan 8.310 nan 0.000 0.483 43 T N -0.845 113.748 114.554 0.065 0.000 2.907 43 T HA 0.491 4.842 4.350 0.002 0.000 0.292 43 T C 0.808 175.006 174.700 -0.837 0.000 1.043 43 T CA -1.003 60.947 62.100 -0.251 0.000 1.003 43 T CB 1.789 70.587 68.868 -0.118 0.000 1.084 43 T HN 0.468 nan 8.240 nan 0.000 0.483 44 R N 1.059 120.718 120.500 -1.403 0.000 2.096 44 R HA -0.123 4.218 4.340 0.002 0.000 0.235 44 R C 2.327 178.269 176.300 -0.596 0.000 1.127 44 R CA 2.041 57.227 56.100 -1.523 0.000 0.968 44 R CB -0.736 28.645 30.300 -1.532 0.000 0.861 44 R HN 0.834 nan 8.270 nan 0.000 0.440 45 S N -1.400 114.068 115.700 -0.386 0.000 2.440 45 S HA -0.075 4.396 4.470 0.002 0.000 0.240 45 S C 1.374 175.885 174.600 -0.148 0.000 1.014 45 S CA 1.599 59.679 58.200 -0.200 0.000 0.980 45 S CB 0.058 63.184 63.200 -0.122 0.000 0.775 45 S HN 0.612 nan 8.310 nan 0.000 0.499 46 G N 0.069 108.774 108.800 -0.158 0.000 2.935 46 G HA2 -0.050 3.911 3.960 0.002 0.000 0.213 46 G HA3 -0.050 3.911 3.960 0.002 0.000 0.213 46 G C -0.016 174.850 174.900 -0.057 0.000 0.984 46 G CA -0.532 44.515 45.100 -0.088 0.000 0.790 46 G HN 0.488 nan 8.290 nan 0.000 0.538 47 R N 0.756 121.231 120.500 -0.042 0.000 2.491 47 R HA 0.557 4.898 4.340 0.002 0.000 0.283 47 R C -0.409 175.912 176.300 0.034 0.000 1.072 47 R CA -0.029 56.075 56.100 0.006 0.000 1.048 47 R CB 0.462 30.785 30.300 0.038 0.000 0.983 47 R HN -0.035 nan 8.270 nan 0.000 0.450 48 R N 3.619 124.131 120.500 0.020 0.000 2.468 48 R HA 0.186 4.527 4.340 0.002 0.000 0.302 48 R C 0.114 176.527 176.300 0.189 0.000 1.041 48 R CA -0.606 55.469 56.100 -0.042 0.000 0.899 48 R CB 1.173 31.227 30.300 -0.410 0.000 1.167 48 R HN 0.787 nan 8.270 nan 0.000 0.483 49 M N 0.680 120.514 119.600 0.390 0.000 2.210 49 M HA -0.271 4.210 4.480 0.002 0.000 0.198 49 M C -0.451 176.143 176.300 0.490 0.000 0.319 49 M CA 1.255 56.854 55.300 0.499 0.000 0.399 49 M CB -1.242 31.779 32.600 0.701 0.000 1.227 49 M HN 0.443 nan 8.290 nan 0.000 0.931 50 E N 1.148 121.508 120.200 0.266 0.000 2.299 50 E HA 0.308 4.659 4.350 0.002 0.000 0.272 50 E C -0.264 176.314 176.600 -0.037 0.000 1.043 50 E CA -0.425 56.049 56.400 0.124 0.000 0.895 50 E CB 0.862 30.600 29.700 0.064 0.000 1.011 50 E HN 0.283 nan 8.360 nan 0.000 0.432 51 L N 3.455 124.585 121.223 -0.154 0.000 2.312 51 L HA 0.347 4.688 4.340 0.002 0.000 0.281 51 L C -0.492 176.211 176.870 -0.278 0.000 1.070 51 L CA 0.270 54.833 54.840 -0.461 0.000 0.805 51 L CB 1.109 42.826 42.059 -0.570 0.000 1.174 51 L HN 0.530 nan 8.230 nan 0.000 0.434 52 S N 4.521 120.043 115.700 -0.297 0.000 2.607 52 S HA 0.805 5.276 4.470 0.002 0.000 0.273 52 S C -0.716 173.738 174.600 -0.244 0.000 1.148 52 S CA -1.034 57.043 58.200 -0.204 0.000 0.833 52 S CB 1.354 64.478 63.200 -0.128 0.000 1.130 52 S HN 0.665 nan 8.310 nan 0.000 0.470 53 M N 0.481 119.910 119.600 -0.286 0.000 2.796 53 M HA 0.847 5.328 4.480 0.002 0.000 0.303 53 M C 0.140 176.053 176.300 -0.645 0.000 1.240 53 M CA -0.552 54.460 55.300 -0.480 0.000 0.831 53 M CB 2.456 34.865 32.600 -0.318 0.000 1.750 53 M HN 1.153 nan 8.290 nan 0.000 0.484 54 G N 0.577 108.766 108.800 -1.018 0.000 2.506 54 G HA2 0.643 4.604 3.960 0.002 0.000 0.292 54 G HA3 0.643 4.604 3.960 0.002 0.000 0.292 54 G C -3.440 171.139 174.900 -0.535 0.000 1.425 54 G CA -0.681 43.944 45.100 -0.792 0.000 0.788 54 G HN 0.350 nan 8.290 nan 0.000 0.490 55 P HA 0.562 nan 4.420 nan 0.000 0.285 55 P C -0.512 176.900 177.300 0.188 0.000 1.269 55 P CA -0.637 62.485 63.100 0.037 0.000 0.844 55 P CB 1.856 33.572 31.700 0.026 0.000 1.094 56 I N 2.035 122.656 120.570 0.085 0.000 2.330 56 I HA 0.257 4.428 4.170 0.002 0.000 0.286 56 I C 0.545 176.662 176.117 -0.001 0.000 1.025 56 I CA -0.464 60.828 61.300 -0.014 0.000 1.197 56 I CB 0.760 38.662 38.000 -0.163 0.000 1.358 56 I HN 0.261 nan 8.210 nan 0.000 0.467 57 Q N 3.215 123.039 119.800 0.040 0.000 2.199 57 Q HA 0.530 4.871 4.340 0.002 0.000 0.232 57 Q C 0.967 177.048 176.000 0.135 0.000 0.969 57 Q CA -0.423 55.423 55.803 0.072 0.000 0.925 57 Q CB 1.668 30.447 28.738 0.067 0.000 1.198 57 Q HN 0.746 nan 8.270 nan 0.000 0.494 58 A N 1.122 124.013 122.820 0.118 0.000 1.975 58 A HA 0.045 4.366 4.320 0.002 0.000 0.215 58 A C 0.086 177.800 177.584 0.217 0.000 1.170 58 A CA 0.693 52.823 52.037 0.156 0.000 0.656 58 A CB -0.133 18.918 19.000 0.086 0.000 0.821 58 A HN 0.747 nan 8.150 nan 0.000 0.449 59 N N -1.115 117.638 118.700 0.087 0.000 2.466 59 N HA 0.400 5.141 4.740 0.002 0.000 0.294 59 N C -0.774 174.590 175.510 -0.243 0.000 1.129 59 N CA -0.412 52.602 53.050 -0.059 0.000 0.931 59 N CB 0.905 39.368 38.487 -0.040 0.000 1.193 59 N HN 0.442 nan 8.380 nan 0.000 0.500 60 H N 0.181 118.867 119.070 -0.640 0.000 2.741 60 H HA 0.112 4.669 4.556 0.002 0.000 0.282 60 H C 0.682 175.794 175.328 -0.360 0.000 1.122 60 H CA -0.412 55.159 56.048 -0.795 0.000 1.293 60 H CB 0.671 29.765 29.762 -1.114 0.000 1.415 60 H HN 0.719 nan 8.280 nan 0.000 0.472 61 T N 0.914 115.469 114.554 0.001 0.000 3.065 61 T HA 0.173 4.524 4.350 0.002 0.000 0.252 61 T C 1.033 175.726 174.700 -0.012 0.000 1.099 61 T CA 0.080 62.164 62.100 -0.026 0.000 1.063 61 T CB 0.197 69.052 68.868 -0.022 0.000 0.948 61 T HN 0.521 nan 8.240 nan 0.000 0.506 62 G N 0.682 109.537 108.800 0.092 0.000 2.448 62 G HA2 0.448 4.409 3.960 0.002 0.000 0.285 62 G HA3 0.448 4.409 3.960 0.002 0.000 0.285 62 G C 0.602 175.449 174.900 -0.087 0.000 1.176 62 G CA 0.011 45.140 45.100 0.048 0.000 0.852 62 G HN 0.366 nan 8.290 nan 0.000 0.530 63 T N -1.227 113.286 114.554 -0.067 0.000 3.091 63 T HA 0.432 4.783 4.350 0.002 0.000 0.277 63 T C 1.036 175.711 174.700 -0.042 0.000 0.996 63 T CA 0.386 62.424 62.100 -0.102 0.000 0.897 63 T CB 0.570 69.380 68.868 -0.096 0.000 1.109 63 T HN 0.720 nan 8.240 nan 0.000 0.534 64 G N 1.621 110.421 108.800 -0.000 0.000 2.782 64 G HA2 0.580 4.540 3.960 0.002 0.000 0.201 64 G HA3 0.580 4.540 3.960 0.002 0.000 0.201 64 G C -0.419 174.501 174.900 0.033 0.000 1.374 64 G CA -1.096 44.010 45.100 0.010 0.000 1.039 64 G HN 0.446 nan 8.290 nan 0.000 0.576 65 L N -0.281 120.958 121.223 0.026 0.000 2.615 65 L HA 0.352 4.693 4.340 0.002 0.000 0.284 65 L C -0.362 176.538 176.870 0.050 0.000 1.237 65 L CA 0.038 54.897 54.840 0.032 0.000 0.905 65 L CB 0.391 42.460 42.059 0.017 0.000 1.149 65 L HN 0.345 nan 8.230 nan 0.000 0.499 66 L N 6.278 127.539 121.223 0.063 0.000 2.362 66 L HA 0.592 4.933 4.340 0.002 0.000 0.275 66 L C -1.359 175.532 176.870 0.035 0.000 0.998 66 L CA -0.271 54.610 54.840 0.069 0.000 0.820 66 L CB 1.497 43.645 42.059 0.149 0.000 1.270 66 L HN 0.583 nan 8.230 nan 0.000 0.415 67 L N 4.736 125.960 121.223 0.001 0.000 2.313 67 L HA 0.586 4.927 4.340 0.002 0.000 0.283 67 L C -0.425 176.440 176.870 -0.009 0.000 1.013 67 L CA -0.468 54.374 54.840 0.003 0.000 0.816 67 L CB 1.839 43.894 42.059 -0.006 0.000 1.236 67 L HN 0.599 nan 8.230 nan 0.000 0.419 68 T N 4.058 118.619 114.554 0.013 0.000 2.770 68 T HA 0.319 4.670 4.350 0.002 0.000 0.283 68 T C -0.061 174.658 174.700 0.033 0.000 0.988 68 T CA -0.474 61.626 62.100 0.000 0.000 0.957 68 T CB 1.606 70.477 68.868 0.004 0.000 0.930 68 T HN 0.322 nan 8.240 nan 0.000 0.443 69 L N 3.959 125.211 121.223 0.048 0.000 2.455 69 L HA 0.159 4.500 4.340 0.002 0.000 0.272 69 L C -0.065 176.839 176.870 0.058 0.000 1.174 69 L CA 0.417 55.310 54.840 0.089 0.000 0.869 69 L CB 0.495 42.652 42.059 0.164 0.000 1.130 69 L HN 0.665 nan 8.230 nan 0.000 0.474 70 Q N 6.841 126.678 119.800 0.062 0.000 2.907 70 Q HA 0.244 4.585 4.340 0.002 0.000 0.262 70 Q C -1.805 174.211 176.000 0.027 0.000 0.997 70 Q CA -1.542 54.286 55.803 0.042 0.000 0.797 70 Q CB 1.396 30.165 28.738 0.051 0.000 1.228 70 Q HN 0.517 nan 8.270 nan 0.000 0.466 71 P HA -0.151 nan 4.420 nan 0.000 0.223 71 P C 0.644 177.930 177.300 -0.024 0.000 1.144 71 P CA 1.111 64.213 63.100 0.005 0.000 0.783 71 P CB 0.628 32.335 31.700 0.011 0.000 0.771 72 E N 0.192 120.374 120.200 -0.030 0.000 2.170 72 E HA -0.037 4.314 4.350 0.002 0.000 0.191 72 E C 0.850 177.385 176.600 -0.108 0.000 0.981 72 E CA 0.511 56.880 56.400 -0.052 0.000 0.830 72 E CB -0.417 29.265 29.700 -0.032 0.000 0.775 72 E HN 0.574 nan 8.360 nan 0.000 0.470 73 Q N 1.713 121.433 119.800 -0.134 0.000 2.324 73 Q HA 0.284 4.625 4.340 0.002 0.000 0.257 73 Q C -0.395 175.282 176.000 -0.537 0.000 1.080 73 Q CA 0.380 55.990 55.803 -0.322 0.000 0.907 73 Q CB 0.579 29.171 28.738 -0.244 0.000 1.274 73 Q HN -0.156 nan 8.270 nan 0.000 0.434 74 K N 2.653 122.690 120.400 -0.605 0.000 2.221 74 K HA 0.506 4.827 4.320 0.002 0.000 0.258 74 K C -0.918 175.299 176.600 -0.637 0.000 0.944 74 K CA -0.363 55.660 56.287 -0.440 0.000 0.823 74 K CB 1.156 33.548 32.500 -0.181 0.000 1.113 74 K HN 0.389 nan 8.250 nan 0.000 0.431 75 F N 0.209 120.186 119.950 0.046 0.000 3.168 75 F HA 0.173 4.701 4.527 0.002 0.000 0.237 75 F C 0.568 176.406 175.800 0.064 0.000 1.560 75 F CA -0.803 57.231 58.000 0.056 0.000 0.948 75 F CB 0.058 39.074 39.000 0.026 0.000 1.885 75 F HN 0.360 nan 8.300 nan 0.000 0.360 76 Q N 2.354 122.337 119.800 0.305 0.000 2.340 76 Q HA 0.252 4.593 4.340 0.002 0.000 0.249 76 Q C -1.391 174.702 176.000 0.154 0.000 0.957 76 Q CA -0.132 55.782 55.803 0.186 0.000 0.882 76 Q CB 1.122 29.947 28.738 0.145 0.000 1.235 76 Q HN 0.490 nan 8.270 nan 0.000 0.439 77 K N 1.242 121.715 120.400 0.121 0.000 2.143 77 K HA 0.430 4.751 4.320 0.002 0.000 0.272 77 K C -0.699 175.960 176.600 0.098 0.000 1.001 77 K CA -0.733 55.616 56.287 0.104 0.000 0.915 77 K CB 1.730 34.279 32.500 0.083 0.000 1.047 77 K HN 0.406 nan 8.250 nan 0.000 0.458 78 V N 3.678 123.651 119.914 0.098 0.000 2.432 78 V HA 0.035 4.156 4.120 0.002 0.000 0.275 78 V C 1.077 177.193 176.094 0.036 0.000 1.043 78 V CA -0.128 62.228 62.300 0.095 0.000 0.925 78 V CB 1.321 33.239 31.823 0.159 0.000 0.985 78 V HN 0.738 nan 8.190 nan 0.000 0.466 79 K N 4.066 124.463 120.400 -0.004 0.000 2.021 79 K HA 0.320 4.641 4.320 0.002 0.000 0.205 79 K C 0.731 177.260 176.600 -0.119 0.000 1.047 79 K CA 1.545 57.776 56.287 -0.093 0.000 0.943 79 K CB -0.156 32.265 32.500 -0.132 0.000 0.725 79 K HN 0.962 nan 8.250 nan 0.000 0.439 80 G N -2.255 106.469 108.800 -0.127 0.000 2.351 80 G HA2 0.307 4.268 3.960 0.002 0.000 0.279 80 G HA3 0.307 4.268 3.960 0.002 0.000 0.279 80 G C -1.600 173.091 174.900 -0.348 0.000 1.297 80 G CA -0.839 44.195 45.100 -0.111 0.000 0.886 80 G HN 0.023 nan 8.290 nan 0.000 0.493 81 F N -0.186 119.757 119.950 -0.011 0.000 2.608 81 F HA 0.803 5.330 4.527 0.002 0.000 0.309 81 F C 0.703 176.220 175.800 -0.471 0.000 1.103 81 F CA 0.460 58.374 58.000 -0.143 0.000 0.954 81 F CB 2.402 41.308 39.000 -0.156 0.000 1.267 81 F HN 1.186 nan 8.300 nan 0.000 0.444 82 G N 0.193 108.672 108.800 -0.535 0.000 2.500 82 G HA2 0.654 4.614 3.960 0.002 0.000 0.299 82 G HA3 0.654 4.614 3.960 0.002 0.000 0.299 82 G C -1.265 173.250 174.900 -0.641 0.000 1.242 82 G CA -0.093 44.405 45.100 -1.004 0.000 0.859 82 G HN 1.068 nan 8.290 nan 0.000 0.481 83 G N -1.738 106.929 108.800 -0.221 0.000 2.645 83 G HA2 0.748 4.709 3.960 0.002 0.000 0.292 83 G HA3 0.748 4.709 3.960 0.002 0.000 0.292 83 G C -1.180 173.793 174.900 0.122 0.000 1.415 83 G CA 0.448 45.550 45.100 0.004 0.000 0.785 83 G HN 1.700 nan 8.290 nan 0.000 0.483 84 A N -0.118 122.799 122.820 0.162 0.000 2.274 84 A HA 0.619 4.940 4.320 0.002 0.000 0.309 84 A C -0.010 177.624 177.584 0.084 0.000 1.226 84 A CA -0.561 51.598 52.037 0.204 0.000 0.853 84 A CB 1.099 20.358 19.000 0.432 0.000 1.146 84 A HN 0.739 nan 8.150 nan 0.000 0.518 85 M N 4.178 123.854 119.600 0.127 0.000 3.422 85 M HA 0.178 4.659 4.480 0.002 0.000 0.248 85 M C 0.763 177.098 176.300 0.058 0.000 1.433 85 M CA -0.141 55.212 55.300 0.090 0.000 1.592 85 M CB -0.975 31.700 32.600 0.125 0.000 1.078 85 M HN 0.760 nan 8.290 nan 0.000 0.578 86 T N -1.517 113.002 114.554 -0.059 0.000 2.813 86 T HA 0.181 4.532 4.350 0.002 0.000 0.297 86 T C 0.869 175.547 174.700 -0.037 0.000 1.036 86 T CA -0.572 61.461 62.100 -0.111 0.000 1.044 86 T CB 0.665 69.310 68.868 -0.372 0.000 0.993 86 T HN 0.480 nan 8.240 nan 0.000 0.535 87 D N 1.102 121.502 120.400 -0.000 0.000 2.133 87 D HA -0.104 4.537 4.640 0.002 0.000 0.195 87 D C 2.370 178.682 176.300 0.020 0.000 0.997 87 D CA 1.839 55.866 54.000 0.044 0.000 0.840 87 D CB -0.894 39.960 40.800 0.090 0.000 0.947 87 D HN 0.752 nan 8.370 nan 0.000 0.452 88 A N 0.980 123.804 122.820 0.007 0.000 1.883 88 A HA -0.082 4.239 4.320 0.002 0.000 0.217 88 A C 2.327 179.892 177.584 -0.032 0.000 1.186 88 A CA 2.514 54.560 52.037 0.014 0.000 0.624 88 A CB -0.806 18.243 19.000 0.082 0.000 0.822 88 A HN 0.255 nan 8.150 nan 0.000 0.444 89 A N -0.272 122.495 122.820 -0.088 0.000 1.898 89 A HA 0.202 4.523 4.320 0.002 0.000 0.216 89 A C 2.520 180.093 177.584 -0.019 0.000 1.181 89 A CA 2.023 54.019 52.037 -0.069 0.000 0.620 89 A CB -1.060 17.887 19.000 -0.089 0.000 0.819 89 A HN 1.092 nan 8.150 nan 0.000 0.442 90 A N -0.114 122.703 122.820 -0.004 0.000 1.908 90 A HA -0.100 4.221 4.320 0.002 0.000 0.218 90 A C 2.111 179.697 177.584 0.004 0.000 1.181 90 A CA 1.531 53.574 52.037 0.010 0.000 0.627 90 A CB -0.718 18.297 19.000 0.025 0.000 0.818 90 A HN 0.484 nan 8.150 nan 0.000 0.445 91 L N -0.971 120.255 121.223 0.005 0.000 2.137 91 L HA -0.260 4.080 4.340 0.002 0.000 0.213 91 L C 2.341 179.211 176.870 0.000 0.000 1.085 91 L CA 1.700 56.544 54.840 0.006 0.000 0.760 91 L CB -0.311 41.757 42.059 0.015 0.000 0.893 91 L HN 0.487 nan 8.230 nan 0.000 0.434 92 N N -1.560 117.135 118.700 -0.007 0.000 2.663 92 N HA 0.142 4.883 4.740 0.002 0.000 0.250 92 N C 1.707 177.201 175.510 -0.027 0.000 1.043 92 N CA 0.168 53.213 53.050 -0.008 0.000 0.929 92 N CB 0.276 38.758 38.487 -0.008 0.000 1.665 92 N HN 0.045 nan 8.380 nan 0.000 0.484 93 I N 1.573 122.120 120.570 -0.038 0.000 2.151 93 I HA -0.237 3.934 4.170 0.002 0.000 0.243 93 I C 1.698 177.788 176.117 -0.045 0.000 1.080 93 I CA 1.213 62.475 61.300 -0.063 0.000 1.339 93 I CB -0.114 37.862 38.000 -0.040 0.000 1.039 93 I HN 0.071 nan 8.210 nan 0.000 0.409 94 L N 0.156 121.366 121.223 -0.022 0.000 2.599 94 L HA 0.038 4.379 4.340 0.002 0.000 0.230 94 L C 2.309 179.174 176.870 -0.008 0.000 1.141 94 L CA 0.215 55.047 54.840 -0.013 0.000 0.877 94 L CB -0.295 41.760 42.059 -0.007 0.000 1.009 94 L HN 0.196 nan 8.230 nan 0.000 0.447 95 A N -0.520 122.295 122.820 -0.008 0.000 2.218 95 A HA 0.198 4.519 4.320 0.002 0.000 0.209 95 A C 0.980 178.567 177.584 0.003 0.000 1.168 95 A CA 0.025 52.062 52.037 0.000 0.000 0.804 95 A CB -0.049 18.954 19.000 0.004 0.000 0.834 95 A HN 0.229 nan 8.150 nan 0.000 0.482 96 L N 1.239 122.461 121.223 -0.002 0.000 2.399 96 L HA 0.245 4.586 4.340 0.002 0.000 0.266 96 L C 0.859 177.736 176.870 0.011 0.000 1.114 96 L CA -0.612 54.235 54.840 0.010 0.000 0.804 96 L CB 1.399 43.458 42.059 0.000 0.000 1.146 96 L HN 0.368 nan 8.230 nan 0.000 0.451 97 S N 1.268 116.981 115.700 0.023 0.000 2.572 97 S HA 0.126 4.597 4.470 0.002 0.000 0.279 97 S C -1.925 172.686 174.600 0.019 0.000 1.341 97 S CA -1.065 57.147 58.200 0.019 0.000 1.043 97 S CB 0.781 63.995 63.200 0.023 0.000 0.887 97 S HN 0.422 nan 8.310 nan 0.000 0.516 98 P HA -0.107 nan 4.420 nan 0.000 0.218 98 P C -1.532 175.779 177.300 0.018 0.000 1.154 98 P CA 1.532 64.638 63.100 0.011 0.000 0.872 98 P CB -1.072 30.633 31.700 0.008 0.000 0.790 99 P HA -0.099 nan 4.420 nan 0.000 0.217 99 P C 1.348 178.683 177.300 0.059 0.000 1.151 99 P CA 1.741 64.862 63.100 0.035 0.000 0.828 99 P CB -0.599 31.122 31.700 0.034 0.000 0.788 100 A N -0.182 122.684 122.820 0.077 0.000 1.930 100 A HA -0.227 4.094 4.320 0.002 0.000 0.217 100 A C 2.242 179.865 177.584 0.064 0.000 1.175 100 A CA 1.364 53.493 52.037 0.152 0.000 0.627 100 A CB -1.255 17.844 19.000 0.165 0.000 0.815 100 A HN 0.171 nan 8.150 nan 0.000 0.443 101 Q N -0.167 119.628 119.800 -0.009 0.000 2.061 101 Q HA -0.184 4.157 4.340 0.002 0.000 0.204 101 Q C 1.692 177.654 176.000 -0.063 0.000 0.984 101 Q CA 1.515 57.276 55.803 -0.071 0.000 0.846 101 Q CB -0.271 28.448 28.738 -0.032 0.000 0.902 101 Q HN 0.619 nan 8.270 nan 0.000 0.421 102 N N 0.458 119.154 118.700 -0.007 0.000 2.244 102 N HA -0.071 4.670 4.740 0.002 0.000 0.183 102 N C 1.797 177.324 175.510 0.028 0.000 1.016 102 N CA 0.857 53.916 53.050 0.015 0.000 0.866 102 N CB -0.032 38.469 38.487 0.024 0.000 0.980 102 N HN 0.237 nan 8.380 nan 0.000 0.430 103 L N 0.432 121.688 121.223 0.055 0.000 2.156 103 L HA -0.015 4.326 4.340 0.002 0.000 0.208 103 L C 2.345 179.267 176.870 0.087 0.000 1.095 103 L CA 0.415 55.323 54.840 0.113 0.000 0.770 103 L CB -0.302 41.882 42.059 0.208 0.000 0.914 103 L HN 0.109 nan 8.230 nan 0.000 0.439 104 L N -0.213 120.891 121.223 -0.199 0.000 2.017 104 L HA -0.227 4.114 4.340 0.002 0.000 0.208 104 L C 2.463 179.224 176.870 -0.181 0.000 1.073 104 L CA 1.409 55.897 54.840 -0.587 0.000 0.745 104 L CB -0.061 41.356 42.059 -1.070 0.000 0.894 104 L HN 0.196 nan 8.230 nan 0.000 0.432 105 L N -0.543 120.670 121.223 -0.017 0.000 2.093 105 L HA -0.218 4.123 4.340 0.002 0.000 0.208 105 L C 2.592 179.614 176.870 0.254 0.000 1.085 105 L CA 1.219 56.186 54.840 0.211 0.000 0.755 105 L CB -0.494 41.667 42.059 0.170 0.000 0.904 105 L HN 0.221 nan 8.230 nan 0.000 0.435 106 K N -0.443 120.033 120.400 0.126 0.000 2.148 106 K HA -0.094 4.227 4.320 0.002 0.000 0.204 106 K C 2.310 178.952 176.600 0.071 0.000 1.050 106 K CA 1.236 57.590 56.287 0.112 0.000 0.942 106 K CB -0.111 32.431 32.500 0.071 0.000 0.724 106 K HN 0.158 nan 8.250 nan 0.000 0.446 107 S N 0.552 116.254 115.700 0.003 0.000 2.365 107 S HA -0.167 4.304 4.470 0.002 0.000 0.225 107 S C 1.837 176.403 174.600 -0.056 0.000 1.039 107 S CA 1.386 59.559 58.200 -0.045 0.000 1.033 107 S CB -0.317 62.751 63.200 -0.221 0.000 0.887 107 S HN 0.347 nan 8.310 nan 0.000 0.447 108 Y N -0.872 119.298 120.300 -0.216 0.000 2.206 108 Y HA 0.040 4.591 4.550 0.002 0.000 0.292 108 Y C 1.813 177.270 175.900 -0.738 0.000 1.123 108 Y CA 0.799 58.431 58.100 -0.781 0.000 1.142 108 Y CB -0.030 37.704 38.460 -1.211 0.000 1.006 108 Y HN 0.216 nan 8.280 nan 0.000 0.518 109 F N -1.116 118.907 119.950 0.121 0.000 2.678 109 F HA 0.078 4.605 4.527 0.001 0.000 0.291 109 F C 1.373 177.220 175.800 0.079 0.000 1.123 109 F CA -0.202 57.868 58.000 0.116 0.000 1.395 109 F CB 0.010 39.080 39.000 0.117 0.000 1.121 109 F HN -0.199 nan 8.300 nan 0.000 0.592 110 S N 0.323 116.141 115.700 0.196 0.000 2.693 110 S HA 0.140 4.611 4.470 0.002 0.000 0.276 110 S C 1.011 175.660 174.600 0.082 0.000 1.192 110 S CA -0.364 57.915 58.200 0.132 0.000 0.994 110 S CB 1.297 64.565 63.200 0.113 0.000 1.012 110 S HN 0.415 nan 8.310 nan 0.000 0.550 111 E N -0.099 120.140 120.200 0.065 0.000 2.338 111 E HA -0.159 4.192 4.350 0.002 0.000 0.197 111 E C 1.384 178.030 176.600 0.077 0.000 1.007 111 E CA 1.228 57.647 56.400 0.032 0.000 0.849 111 E CB -0.456 29.263 29.700 0.031 0.000 0.774 111 E HN 0.925 nan 8.360 nan 0.000 0.506 112 E N 0.889 121.162 120.200 0.121 0.000 2.489 112 E HA 0.105 4.455 4.350 0.002 0.000 0.193 112 E C 0.967 177.730 176.600 0.270 0.000 1.057 112 E CA 0.383 56.893 56.400 0.184 0.000 0.866 112 E CB 0.411 30.170 29.700 0.098 0.000 0.916 112 E HN 0.254 nan 8.360 nan 0.000 0.500 113 G N 1.711 110.647 108.800 0.225 0.000 3.286 113 G HA2 0.346 4.307 3.960 0.002 0.000 0.166 113 G HA3 0.346 4.307 3.960 0.002 0.000 0.166 113 G C 0.590 175.572 174.900 0.137 0.000 1.155 113 G CA -0.303 44.947 45.100 0.251 0.000 0.871 113 G HN 0.283 nan 8.290 nan 0.000 0.637 114 I N -1.964 118.582 120.570 -0.040 0.000 3.941 114 I HA 0.485 4.656 4.170 0.002 0.000 0.335 114 I C 1.179 177.175 176.117 -0.201 0.000 1.402 114 I CA 0.308 61.462 61.300 -0.243 0.000 1.112 114 I CB 0.329 38.087 38.000 -0.404 0.000 1.043 114 I HN 0.774 nan 8.210 nan 0.000 0.395 115 G N 1.514 110.257 108.800 -0.096 0.000 2.323 115 G HA2 -0.324 3.637 3.960 0.002 0.000 0.292 115 G HA3 -0.324 3.637 3.960 0.002 0.000 0.292 115 G C -0.010 174.972 174.900 0.137 0.000 1.040 115 G CA -0.052 45.048 45.100 -0.000 0.000 0.942 115 G HN 0.662 nan 8.290 nan 0.000 0.506 116 Y N 0.179 120.424 120.300 -0.091 0.000 2.811 116 Y HA 0.017 4.567 4.550 0.001 0.000 0.334 116 Y C 1.709 177.703 175.900 0.157 0.000 1.247 116 Y CA 0.516 58.588 58.100 -0.047 0.000 1.526 116 Y CB 0.547 38.765 38.460 -0.403 0.000 1.284 116 Y HN 0.516 nan 8.280 nan 0.000 0.586 117 N N 2.600 121.438 118.700 0.230 0.000 2.143 117 N HA 0.154 4.895 4.740 0.002 0.000 0.229 117 N C -0.862 174.705 175.510 0.094 0.000 1.294 117 N CA 0.152 53.302 53.050 0.166 0.000 0.883 117 N CB 0.409 38.951 38.487 0.092 0.000 1.148 117 N HN 0.456 nan 8.380 nan 0.000 0.511 118 I N 1.305 121.933 120.570 0.096 0.000 2.545 118 I HA 0.475 4.646 4.170 0.002 0.000 0.292 118 I C -0.840 175.374 176.117 0.162 0.000 1.040 118 I CA -0.921 60.430 61.300 0.085 0.000 1.068 118 I CB 2.284 40.324 38.000 0.065 0.000 1.251 118 I HN -0.191 nan 8.210 nan 0.000 0.424 119 I N 5.228 125.907 120.570 0.181 0.000 2.436 119 I HA 0.443 4.614 4.170 0.002 0.000 0.289 119 I C -0.056 176.196 176.117 0.225 0.000 1.010 119 I CA -0.577 60.845 61.300 0.204 0.000 1.098 119 I CB 1.858 39.961 38.000 0.172 0.000 1.266 119 I HN 0.504 nan 8.210 nan 0.000 0.434 120 R N 5.362 126.010 120.500 0.248 0.000 2.297 120 R HA 0.646 4.987 4.340 0.002 0.000 0.308 120 R C -1.425 175.059 176.300 0.306 0.000 1.029 120 R CA -0.429 55.849 56.100 0.296 0.000 0.929 120 R CB 1.250 31.735 30.300 0.309 0.000 1.046 120 R HN 0.486 nan 8.270 nan 0.000 0.461 121 V N 7.192 127.309 119.914 0.338 0.000 2.325 121 V HA 0.301 4.422 4.120 0.002 0.000 0.280 121 V C -2.147 174.102 176.094 0.258 0.000 1.016 121 V CA -2.131 60.364 62.300 0.327 0.000 0.818 121 V CB 1.234 33.322 31.823 0.442 0.000 1.019 121 V HN 0.816 nan 8.190 nan 0.000 0.434 122 P HA 0.118 nan 4.420 nan 0.000 0.265 122 P C -0.375 176.975 177.300 0.083 0.000 1.187 122 P CA 0.231 63.469 63.100 0.229 0.000 0.766 122 P CB 0.453 32.148 31.700 -0.009 0.000 0.820 123 M N 2.808 122.393 119.600 -0.025 0.000 2.151 123 M HA 0.450 4.931 4.480 0.002 0.000 0.349 123 M C 0.760 176.990 176.300 -0.117 0.000 1.284 123 M CA 0.101 55.327 55.300 -0.123 0.000 1.173 123 M CB -0.135 32.212 32.600 -0.421 0.000 1.469 123 M HN 0.602 nan 8.290 nan 0.000 0.439 124 A N 1.928 124.533 122.820 -0.358 0.000 6.086 124 A HA -0.153 4.168 4.320 0.002 0.000 0.252 124 A C 0.273 177.470 177.584 -0.646 0.000 2.197 124 A CA 0.353 51.931 52.037 -0.765 0.000 0.706 124 A CB -1.707 16.742 19.000 -0.918 0.000 1.023 124 A HN 0.922 nan 8.150 nan 0.000 0.358 125 S N -0.373 114.730 115.700 -0.996 0.000 2.601 125 S HA 0.635 5.106 4.470 0.002 0.000 0.271 125 S C 0.492 174.843 174.600 -0.416 0.000 1.305 125 S CA 0.103 57.877 58.200 -0.710 0.000 1.022 125 S CB 0.700 63.404 63.200 -0.826 0.000 0.940 125 S HN 2.474 nan 8.310 nan 0.000 0.525 126 C N 0.464 119.509 119.300 -0.425 0.000 3.256 126 C HA 0.657 5.118 4.460 0.002 0.000 0.361 126 C C 1.475 176.386 174.990 -0.132 0.000 1.665 126 C CA -0.081 58.580 59.018 -0.596 0.000 1.445 126 C CB 0.658 27.448 27.740 -1.583 0.000 2.144 126 C HN 0.885 nan 8.230 nan 0.000 0.448 127 D N 0.769 121.028 120.400 -0.235 0.000 2.149 127 D HA -0.169 4.472 4.640 0.002 0.000 0.198 127 D C 0.596 176.646 176.300 -0.416 0.000 0.990 127 D CA 1.330 55.046 54.000 -0.473 0.000 0.839 127 D CB -0.580 39.476 40.800 -1.239 0.000 0.948 127 D HN 0.611 nan 8.370 nan 0.000 0.460 128 F N 1.162 120.992 119.950 -0.200 0.000 2.666 128 F HA 0.326 4.855 4.527 0.002 0.000 0.362 128 F C 0.374 176.109 175.800 -0.108 0.000 1.190 128 F CA -0.007 57.878 58.000 -0.191 0.000 1.328 128 F CB -0.015 38.758 39.000 -0.378 0.000 1.682 128 F HN -0.248 nan 8.300 nan 0.000 0.623 129 S N 0.554 116.321 115.700 0.112 0.000 2.579 129 S HA 0.440 4.910 4.470 0.002 0.000 0.272 129 S C 0.604 175.303 174.600 0.166 0.000 1.141 129 S CA -0.766 57.512 58.200 0.130 0.000 0.843 129 S CB 1.711 64.966 63.200 0.091 0.000 1.122 129 S HN 0.427 nan 8.310 nan 0.000 0.468 130 I N -0.174 120.460 120.570 0.107 0.000 3.875 130 I HA 0.427 4.598 4.170 0.002 0.000 0.329 130 I C 0.339 176.459 176.117 0.006 0.000 1.295 130 I CA -0.135 61.212 61.300 0.079 0.000 1.129 130 I CB -0.232 37.795 38.000 0.045 0.000 1.008 130 I HN 0.523 nan 8.210 nan 0.000 0.413 131 R N 0.509 120.974 120.500 -0.058 0.000 2.728 131 R HA 0.449 4.790 4.340 0.002 0.000 0.274 131 R C -1.058 175.068 176.300 -0.291 0.000 1.030 131 R CA -0.368 55.624 56.100 -0.181 0.000 0.876 131 R CB 0.679 30.939 30.300 -0.067 0.000 1.259 131 R HN 0.104 nan 8.270 nan 0.000 0.468 132 T N -0.882 113.426 114.554 -0.411 0.000 2.907 132 T HA 0.704 5.055 4.350 0.002 0.000 0.284 132 T C -0.558 174.104 174.700 -0.063 0.000 1.004 132 T CA -0.480 61.379 62.100 -0.402 0.000 1.063 132 T CB 0.834 69.384 68.868 -0.529 0.000 0.992 132 T HN 0.759 nan 8.240 nan 0.000 0.483 133 Y N -1.522 118.658 120.300 -0.200 0.000 2.643 133 Y HA 0.545 5.096 4.550 0.001 0.000 0.347 133 Y C -0.768 175.042 175.900 -0.150 0.000 1.208 133 Y CA -0.857 57.155 58.100 -0.146 0.000 1.245 133 Y CB 0.310 38.689 38.460 -0.136 0.000 1.369 133 Y HN 1.079 nan 8.280 nan 0.000 0.487 134 T N -1.675 112.868 114.554 -0.019 0.000 2.773 134 T HA 0.472 4.823 4.350 0.002 0.000 0.278 134 T C -0.463 174.274 174.700 0.062 0.000 1.011 134 T CA -0.549 61.500 62.100 -0.084 0.000 1.014 134 T CB 1.240 70.118 68.868 0.016 0.000 1.293 134 T HN 0.781 nan 8.240 nan 0.000 0.554 135 Y N -0.259 120.135 120.300 0.156 0.000 2.500 135 Y HA 0.531 5.082 4.550 0.002 0.000 0.270 135 Y C 1.642 177.389 175.900 -0.255 0.000 1.134 135 Y CA -0.244 57.691 58.100 -0.276 0.000 1.293 135 Y CB 0.521 38.358 38.460 -1.039 0.000 1.063 135 Y HN 0.771 nan 8.280 nan 0.000 0.534 136 A N -0.250 122.748 122.820 0.298 0.000 3.258 136 A HA 0.266 4.587 4.320 0.002 0.000 0.318 136 A C -0.085 177.792 177.584 0.488 0.000 0.990 136 A CA -0.409 51.874 52.037 0.411 0.000 0.885 136 A CB -0.182 19.201 19.000 0.638 0.000 1.090 136 A HN 0.129 nan 8.150 nan 0.000 0.479 137 D N 0.345 120.942 120.400 0.327 0.000 2.323 137 D HA -0.002 4.638 4.640 0.002 0.000 0.209 137 D C 0.294 176.738 176.300 0.240 0.000 0.973 137 D CA 1.004 55.194 54.000 0.316 0.000 0.874 137 D CB 0.367 41.271 40.800 0.174 0.000 0.930 137 D HN 0.396 nan 8.370 nan 0.000 0.521 138 T N 4.508 119.141 114.554 0.133 0.000 2.769 138 T HA 0.126 4.477 4.350 0.002 0.000 0.293 138 T C -2.215 172.238 174.700 -0.412 0.000 0.931 138 T CA -1.069 60.992 62.100 -0.064 0.000 1.139 138 T CB 1.345 70.196 68.868 -0.029 0.000 0.881 138 T HN 0.085 nan 8.240 nan 0.000 0.532 139 P HA 0.132 nan 4.420 nan 0.000 0.269 139 P C -0.193 176.402 177.300 -1.175 0.000 1.215 139 P CA -0.095 62.102 63.100 -1.505 0.000 0.780 139 P CB 0.398 31.687 31.700 -0.684 0.000 0.898 140 D N -1.494 117.996 120.400 -1.517 0.000 2.870 140 D HA -0.176 4.465 4.640 0.002 0.000 0.228 140 D C -0.197 175.904 176.300 -0.332 0.000 1.147 140 D CA 1.228 54.860 54.000 -0.614 0.000 0.757 140 D CB -2.180 38.554 40.800 -0.110 0.000 1.091 140 D HN 0.460 nan 8.370 nan 0.000 0.429 141 D N -0.899 119.194 120.400 -0.512 0.000 2.638 141 D HA 0.229 4.870 4.640 0.002 0.000 0.245 141 D C 0.715 177.161 176.300 0.243 0.000 1.176 141 D CA -0.440 53.570 54.000 0.017 0.000 0.996 141 D CB -0.595 40.268 40.800 0.105 0.000 1.012 141 D HN 0.103 nan 8.370 nan 0.000 0.515 142 F N 0.291 120.419 119.950 0.296 0.000 2.407 142 F HA -0.031 4.497 4.527 0.001 0.000 0.299 142 F C 2.280 178.231 175.800 0.252 0.000 1.097 142 F CA 0.694 58.910 58.000 0.360 0.000 1.422 142 F CB 0.425 39.574 39.000 0.248 0.000 1.067 142 F HN 0.255 nan 8.300 nan 0.000 0.539 143 Q N -0.102 119.888 119.800 0.317 0.000 2.319 143 Q HA 0.177 4.518 4.340 0.002 0.000 0.202 143 Q C 0.610 176.569 176.000 -0.068 0.000 0.896 143 Q CA 0.167 56.028 55.803 0.096 0.000 0.942 143 Q CB 0.395 29.158 28.738 0.041 0.000 1.083 143 Q HN 0.430 nan 8.270 nan 0.000 0.510 144 L N 0.969 122.260 121.223 0.115 0.000 3.632 144 L HA -0.276 4.065 4.340 0.002 0.000 0.510 144 L C 0.433 177.335 176.870 0.054 0.000 1.299 144 L CA 0.044 54.991 54.840 0.178 0.000 0.829 144 L CB -1.935 40.263 42.059 0.232 0.000 1.559 144 L HN 0.339 nan 8.230 nan 0.000 0.857 145 H N -1.050 118.137 119.070 0.194 0.000 2.482 145 H HA 0.066 4.623 4.556 0.001 0.000 0.286 145 H C 1.596 177.020 175.328 0.160 0.000 1.017 145 H CA 1.249 57.387 56.048 0.149 0.000 1.322 145 H CB 0.234 30.061 29.762 0.108 0.000 1.426 145 H HN 0.426 nan 8.280 nan 0.000 0.546 146 N N 0.400 119.269 118.700 0.281 0.000 2.276 146 N HA 0.002 4.743 4.740 0.002 0.000 0.212 146 N C -0.678 174.975 175.510 0.239 0.000 1.127 146 N CA -0.117 53.062 53.050 0.216 0.000 0.834 146 N CB -0.188 38.394 38.487 0.157 0.000 1.014 146 N HN 0.213 nan 8.380 nan 0.000 0.491 147 F N 2.360 122.392 119.950 0.138 0.000 2.506 147 F HA 0.192 4.720 4.527 0.002 0.000 0.371 147 F C 0.539 176.383 175.800 0.075 0.000 1.078 147 F CA -0.282 57.786 58.000 0.112 0.000 1.195 147 F CB 0.378 39.401 39.000 0.038 0.000 1.099 147 F HN -0.034 nan 8.300 nan 0.000 0.548 148 S N 6.004 121.590 115.700 -0.189 0.000 2.570 148 S HA 0.604 5.075 4.470 0.002 0.000 0.270 148 S C -1.286 173.210 174.600 -0.173 0.000 1.149 148 S CA -1.215 56.945 58.200 -0.066 0.000 0.837 148 S CB 1.335 64.563 63.200 0.047 0.000 1.124 148 S HN 0.663 nan 8.310 nan 0.000 0.465 149 L N 2.543 123.733 121.223 -0.055 0.000 2.290 149 L HA 0.481 4.822 4.340 0.002 0.000 0.284 149 L C -1.732 175.193 176.870 0.091 0.000 1.078 149 L CA -1.693 53.181 54.840 0.057 0.000 0.815 149 L CB 0.474 42.532 42.059 -0.002 0.000 1.162 149 L HN 0.588 nan 8.230 nan 0.000 0.435 150 P HA 0.074 nan 4.420 nan 0.000 0.307 150 P C 0.408 177.682 177.300 -0.044 0.000 1.306 150 P CA -0.441 62.641 63.100 -0.030 0.000 0.742 150 P CB 0.887 32.459 31.700 -0.213 0.000 1.349 151 E N -0.520 119.624 120.200 -0.094 0.000 2.153 151 E HA -0.214 4.137 4.350 0.002 0.000 0.194 151 E C 1.701 178.263 176.600 -0.064 0.000 0.988 151 E CA 1.141 57.496 56.400 -0.075 0.000 0.811 151 E CB -0.064 29.586 29.700 -0.083 0.000 0.746 151 E HN 0.372 nan 8.360 nan 0.000 0.466 152 E N 0.579 120.723 120.200 -0.093 0.000 2.085 152 E HA -0.201 4.149 4.350 0.002 0.000 0.194 152 E C 1.448 178.089 176.600 0.067 0.000 0.994 152 E CA 1.805 58.196 56.400 -0.015 0.000 0.801 152 E CB 0.002 29.703 29.700 0.002 0.000 0.743 152 E HN 0.316 nan 8.360 nan 0.000 0.453 153 D N -1.121 119.345 120.400 0.108 0.000 2.084 153 D HA -0.112 4.529 4.640 0.002 0.000 0.199 153 D C 2.079 178.321 176.300 -0.098 0.000 0.981 153 D CA 2.167 56.233 54.000 0.110 0.000 0.841 153 D CB -0.248 40.696 40.800 0.239 0.000 0.997 153 D HN 0.261 nan 8.370 nan 0.000 0.454 154 T N -1.374 113.091 114.554 -0.148 0.000 2.867 154 T HA -0.106 4.245 4.350 0.002 0.000 0.268 154 T C 1.716 176.349 174.700 -0.112 0.000 1.057 154 T CA 0.978 62.946 62.100 -0.221 0.000 1.136 154 T CB -0.029 68.769 68.868 -0.116 0.000 0.874 154 T HN 0.002 nan 8.240 nan 0.000 0.466 155 K N 0.311 120.673 120.400 -0.063 0.000 2.202 155 K HA 0.237 4.558 4.320 0.002 0.000 0.201 155 K C 1.991 178.576 176.600 -0.026 0.000 1.051 155 K CA 0.343 56.608 56.287 -0.037 0.000 0.977 155 K CB 0.077 32.559 32.500 -0.030 0.000 0.792 155 K HN 0.390 nan 8.250 nan 0.000 0.469 156 L N -0.256 120.955 121.223 -0.020 0.000 2.379 156 L HA 0.132 4.473 4.340 0.002 0.000 0.190 156 L C 2.288 179.161 176.870 0.005 0.000 1.111 156 L CA 0.257 55.096 54.840 -0.002 0.000 0.820 156 L CB -0.409 41.655 42.059 0.009 0.000 1.046 156 L HN -0.106 nan 8.230 nan 0.000 0.485 157 K N 0.749 121.164 120.400 0.025 0.000 2.007 157 K HA -0.008 4.313 4.320 0.002 0.000 0.206 157 K C 2.092 178.693 176.600 0.001 0.000 1.047 157 K CA 1.297 57.617 56.287 0.055 0.000 0.937 157 K CB -0.107 32.487 32.500 0.156 0.000 0.718 157 K HN 0.110 nan 8.250 nan 0.000 0.438 158 I N 1.119 121.640 120.570 -0.080 0.000 2.163 158 I HA -0.217 3.954 4.170 0.002 0.000 0.243 158 I C -1.047 174.984 176.117 -0.143 0.000 1.085 158 I CA 1.241 62.406 61.300 -0.225 0.000 1.347 158 I CB -0.832 36.891 38.000 -0.461 0.000 1.044 158 I HN 0.115 nan 8.210 nan 0.000 0.408 159 P HA -0.125 nan 4.420 nan 0.000 0.217 159 P C 1.924 179.247 177.300 0.039 0.000 1.151 159 P CA 1.301 64.447 63.100 0.077 0.000 0.828 159 P CB 0.058 31.779 31.700 0.035 0.000 0.788 160 L N -1.270 119.949 121.223 -0.007 0.000 2.027 160 L HA -0.161 4.180 4.340 0.002 0.000 0.206 160 L C 2.387 179.212 176.870 -0.075 0.000 1.074 160 L CA 1.444 56.271 54.840 -0.022 0.000 0.745 160 L CB -0.786 41.270 42.059 -0.005 0.000 0.898 160 L HN -0.088 nan 8.230 nan 0.000 0.433 161 I N -1.159 119.348 120.570 -0.104 0.000 2.163 161 I HA -0.355 3.816 4.170 0.002 0.000 0.243 161 I C 2.643 178.650 176.117 -0.183 0.000 1.085 161 I CA 1.153 62.345 61.300 -0.181 0.000 1.347 161 I CB -0.601 37.304 38.000 -0.158 0.000 1.044 161 I HN 0.302 nan 8.210 nan 0.000 0.408 162 H N 1.159 120.172 119.070 -0.095 0.000 2.289 162 H HA -0.173 4.384 4.556 0.002 0.000 0.294 162 H C 2.530 177.801 175.328 -0.094 0.000 1.095 162 H CA 1.758 57.756 56.048 -0.084 0.000 1.256 162 H CB -0.391 29.336 29.762 -0.058 0.000 1.359 162 H HN 0.316 nan 8.280 nan 0.000 0.487 163 R N 0.254 120.783 120.500 0.048 0.000 2.096 163 R HA -0.060 4.281 4.340 0.002 0.000 0.235 163 R C 2.593 178.844 176.300 -0.081 0.000 1.127 163 R CA 1.001 57.095 56.100 -0.009 0.000 0.968 163 R CB -0.237 30.061 30.300 -0.003 0.000 0.861 163 R HN 0.255 nan 8.270 nan 0.000 0.440 164 A N 1.445 124.134 122.820 -0.219 0.000 1.883 164 A HA -0.136 4.185 4.320 0.002 0.000 0.217 164 A C 2.152 179.545 177.584 -0.319 0.000 1.186 164 A CA 1.268 52.996 52.037 -0.514 0.000 0.624 164 A CB -0.576 17.723 19.000 -1.169 0.000 0.822 164 A HN 0.181 nan 8.150 nan 0.000 0.444 165 L N -1.055 120.041 121.223 -0.212 0.000 2.217 165 L HA -0.197 4.144 4.340 0.002 0.000 0.211 165 L C 2.738 179.595 176.870 -0.021 0.000 1.107 165 L CA 1.223 56.010 54.840 -0.090 0.000 0.783 165 L CB -0.913 41.110 42.059 -0.060 0.000 0.919 165 L HN 0.500 nan 8.230 nan 0.000 0.442 166 Q N 0.482 120.276 119.800 -0.011 0.000 2.096 166 Q HA -0.191 4.150 4.340 0.002 0.000 0.204 166 Q C 2.353 178.366 176.000 0.022 0.000 0.982 166 Q CA 1.429 57.237 55.803 0.008 0.000 0.850 166 Q CB -0.173 28.569 28.738 0.006 0.000 0.901 166 Q HN 0.503 nan 8.270 nan 0.000 0.422 167 L N 0.026 121.266 121.223 0.028 0.000 2.217 167 L HA 0.017 4.358 4.340 0.002 0.000 0.211 167 L C 0.826 177.755 176.870 0.099 0.000 1.107 167 L CA -0.190 54.692 54.840 0.070 0.000 0.783 167 L CB -0.103 42.017 42.059 0.102 0.000 0.919 167 L HN 0.029 nan 8.230 nan 0.000 0.442 168 A N 0.142 123.021 122.820 0.100 0.000 2.354 168 A HA 0.240 4.561 4.320 0.002 0.000 0.281 168 A C 1.091 178.724 177.584 0.083 0.000 1.174 168 A CA -0.567 51.547 52.037 0.127 0.000 0.828 168 A CB 0.496 19.594 19.000 0.163 0.000 1.099 168 A HN 0.426 nan 8.150 nan 0.000 0.516 169 Q N 3.337 123.184 119.800 0.079 0.000 1.956 169 Q HA -0.173 4.168 4.340 0.002 0.000 0.208 169 Q C 0.189 176.220 176.000 0.052 0.000 0.998 169 Q CA 1.012 56.850 55.803 0.059 0.000 0.855 169 Q CB -0.501 28.270 28.738 0.056 0.000 0.928 169 Q HN 0.746 nan 8.270 nan 0.000 0.418 170 R N 2.441 122.976 120.500 0.058 0.000 2.640 170 R HA 0.142 4.483 4.340 0.002 0.000 0.270 170 R C -2.247 174.081 176.300 0.047 0.000 1.024 170 R CA -1.464 54.665 56.100 0.049 0.000 1.085 170 R CB -0.534 29.799 30.300 0.056 0.000 0.963 170 R HN 0.206 nan 8.270 nan 0.000 0.426 171 P HA -0.066 nan 4.420 nan 0.000 0.261 171 P C -0.702 176.605 177.300 0.013 0.000 1.183 171 P CA 0.264 63.372 63.100 0.013 0.000 0.761 171 P CB 0.433 32.132 31.700 -0.002 0.000 0.785 172 V N 3.940 123.862 119.914 0.015 0.000 2.439 172 V HA 0.216 4.336 4.120 0.002 0.000 0.282 172 V C 0.523 176.605 176.094 -0.020 0.000 1.039 172 V CA -0.116 62.197 62.300 0.020 0.000 0.913 172 V CB 1.538 33.387 31.823 0.044 0.000 0.983 172 V HN 0.445 nan 8.190 nan 0.000 0.460 173 S N 5.815 121.493 115.700 -0.036 0.000 2.438 173 S HA 0.606 5.077 4.470 0.002 0.000 0.293 173 S C -0.348 174.297 174.600 0.076 0.000 1.141 173 S CA -0.468 57.721 58.200 -0.018 0.000 1.080 173 S CB 0.589 63.637 63.200 -0.253 0.000 0.978 173 S HN 0.479 nan 8.310 nan 0.000 0.479 174 L N 3.798 125.055 121.223 0.056 0.000 2.292 174 L HA 0.568 4.909 4.340 0.002 0.000 0.284 174 L C -0.570 176.512 176.870 0.355 0.000 1.065 174 L CA -0.818 54.018 54.840 -0.007 0.000 0.806 174 L CB 0.916 42.577 42.059 -0.662 0.000 1.175 174 L HN 0.417 nan 8.230 nan 0.000 0.431 175 L N 3.503 124.989 121.223 0.439 0.000 2.356 175 L HA 0.787 5.128 4.340 0.002 0.000 0.277 175 L C -0.443 176.647 176.870 0.367 0.000 0.996 175 L CA -0.150 54.934 54.840 0.406 0.000 0.822 175 L CB 1.595 43.843 42.059 0.314 0.000 1.256 175 L HN 0.647 nan 8.230 nan 0.000 0.413 176 A N 3.360 126.275 122.820 0.158 0.000 2.318 176 A HA 0.860 5.181 4.320 0.002 0.000 0.324 176 A C -0.727 176.784 177.584 -0.122 0.000 1.170 176 A CA -0.447 51.536 52.037 -0.090 0.000 0.810 176 A CB 0.937 19.564 19.000 -0.621 0.000 1.198 176 A HN 0.697 nan 8.150 nan 0.000 0.484 177 S N 3.941 119.616 115.700 -0.041 0.000 2.532 177 S HA 0.691 5.162 4.470 0.002 0.000 0.299 177 S C -2.903 171.698 174.600 0.002 0.000 1.105 177 S CA -1.121 57.049 58.200 -0.051 0.000 1.018 177 S CB 1.765 64.919 63.200 -0.076 0.000 1.021 177 S HN 0.650 nan 8.310 nan 0.000 0.483 178 P HA 0.177 nan 4.420 nan 0.000 0.278 178 P C 0.066 177.476 177.300 0.184 0.000 1.238 178 P CA -0.540 62.598 63.100 0.062 0.000 0.794 178 P CB 1.007 32.717 31.700 0.018 0.000 0.955 179 W N 0.501 121.800 121.300 -0.001 0.000 2.728 179 W HA 0.057 4.718 4.660 0.001 0.000 0.270 179 W C 0.639 177.147 176.519 -0.019 0.000 1.150 179 W CA 0.653 58.010 57.345 0.020 0.000 1.518 179 W CB 0.517 30.003 29.460 0.043 0.000 1.069 179 W HN 0.235 nan 8.180 nan 0.000 0.590 180 T N 0.229 114.866 114.554 0.138 0.000 2.903 180 T HA 0.325 4.676 4.350 0.002 0.000 0.299 180 T C -0.199 174.284 174.700 -0.361 0.000 1.093 180 T CA -0.401 61.627 62.100 -0.119 0.000 1.002 180 T CB 1.502 70.317 68.868 -0.088 0.000 1.127 180 T HN -0.074 nan 8.240 nan 0.000 0.488 181 S N 3.817 119.018 115.700 -0.832 0.000 2.652 181 S HA 0.623 5.094 4.470 0.002 0.000 0.270 181 S C -2.714 171.468 174.600 -0.697 0.000 1.243 181 S CA -1.243 56.202 58.200 -1.259 0.000 0.999 181 S CB 0.262 62.368 63.200 -1.823 0.000 0.973 181 S HN 0.540 nan 8.310 nan 0.000 0.544 182 P HA -0.023 nan 4.420 nan 0.000 0.263 182 P C 1.151 178.049 177.300 -0.671 0.000 1.162 182 P CA 0.452 63.224 63.100 -0.546 0.000 0.758 182 P CB 0.159 31.371 31.700 -0.812 0.000 0.773 183 T N -1.000 113.351 114.554 -0.338 0.000 3.035 183 T HA -0.092 4.259 4.350 0.002 0.000 0.268 183 T C 1.025 175.621 174.700 -0.172 0.000 1.109 183 T CA 0.374 62.341 62.100 -0.221 0.000 1.119 183 T CB -0.539 68.293 68.868 -0.061 0.000 0.900 183 T HN 0.586 nan 8.240 nan 0.000 0.503 184 W N 1.053 122.274 121.300 -0.132 0.000 3.438 184 W HA 0.471 5.132 4.660 0.001 0.000 0.322 184 W C 0.249 176.688 176.519 -0.133 0.000 1.261 184 W CA -0.729 56.551 57.345 -0.108 0.000 1.788 184 W CB -0.847 28.570 29.460 -0.072 0.000 1.065 184 W HN 0.266 nan 8.180 nan 0.000 0.715 185 L N 0.492 121.400 121.223 -0.525 0.000 2.781 185 L HA 0.241 4.582 4.340 0.002 0.000 0.245 185 L C 0.869 177.428 176.870 -0.518 0.000 1.118 185 L CA 0.182 54.705 54.840 -0.529 0.000 0.918 185 L CB 0.082 41.710 42.059 -0.720 0.000 1.246 185 L HN -0.315 nan 8.230 nan 0.000 0.526 186 K N 0.365 120.502 120.400 -0.437 0.000 2.143 186 K HA 0.181 4.502 4.320 0.002 0.000 0.272 186 K C 1.275 177.703 176.600 -0.288 0.000 1.001 186 K CA 0.208 56.262 56.287 -0.388 0.000 0.915 186 K CB 1.765 34.060 32.500 -0.340 0.000 1.047 186 K HN -0.001 nan 8.250 nan 0.000 0.458 187 T N -0.904 113.495 114.554 -0.259 0.000 2.685 187 T HA -0.228 4.123 4.350 0.002 0.000 0.268 187 T C 1.220 175.839 174.700 -0.134 0.000 1.034 187 T CA 1.885 63.876 62.100 -0.182 0.000 1.149 187 T CB -0.261 68.522 68.868 -0.141 0.000 0.860 187 T HN 0.705 nan 8.240 nan 0.000 0.449 188 N N 1.383 120.005 118.700 -0.131 0.000 2.236 188 N HA 0.181 4.922 4.740 0.002 0.000 0.196 188 N C 1.465 176.934 175.510 -0.068 0.000 1.114 188 N CA 0.529 53.528 53.050 -0.085 0.000 0.859 188 N CB -0.614 37.830 38.487 -0.072 0.000 0.982 188 N HN 0.680 nan 8.380 nan 0.000 0.493 189 G N -0.031 108.718 108.800 -0.085 0.000 2.379 189 G HA2 -0.103 3.858 3.960 0.002 0.000 0.297 189 G HA3 -0.103 3.858 3.960 0.002 0.000 0.297 189 G C 0.058 174.936 174.900 -0.037 0.000 1.004 189 G CA 0.670 45.741 45.100 -0.049 0.000 0.921 189 G HN 0.883 nan 8.290 nan 0.000 0.511 190 A N -1.472 121.314 122.820 -0.056 0.000 2.435 190 A HA 0.838 5.159 4.320 0.002 0.000 0.304 190 A C 1.154 178.712 177.584 -0.044 0.000 1.064 190 A CA 0.193 52.212 52.037 -0.030 0.000 0.727 190 A CB 1.565 20.561 19.000 -0.006 0.000 1.284 190 A HN 1.484 nan 8.150 nan 0.000 0.415 191 V N -0.553 119.353 119.914 -0.014 0.000 3.041 191 V HA 0.084 4.205 4.120 0.002 0.000 0.260 191 V C 0.550 176.685 176.094 0.069 0.000 1.105 191 V CA 1.604 63.898 62.300 -0.011 0.000 1.125 191 V CB -1.524 30.288 31.823 -0.017 0.000 0.730 191 V HN 0.913 nan 8.190 nan 0.000 0.479 192 N N -0.064 118.701 118.700 0.107 0.000 3.379 192 N HA 0.641 5.382 4.740 0.002 0.000 0.350 192 N C 0.394 175.962 175.510 0.097 0.000 1.553 192 N CA 0.231 53.379 53.050 0.164 0.000 0.712 192 N CB 0.740 39.371 38.487 0.239 0.000 1.880 192 N HN 0.969 nan 8.380 nan 0.000 0.648 193 G N -0.227 108.647 108.800 0.124 0.000 2.828 193 G HA2 -0.206 3.755 3.960 0.002 0.000 0.463 193 G HA3 -0.206 3.755 3.960 0.002 0.000 0.463 193 G C -0.844 174.076 174.900 0.034 0.000 1.394 193 G CA -0.201 44.944 45.100 0.074 0.000 0.862 193 G HN 0.851 nan 8.290 nan 0.000 0.540 194 K N 0.644 121.048 120.400 0.006 0.000 2.402 194 K HA 0.510 4.831 4.320 0.002 0.000 0.285 194 K C 0.537 177.096 176.600 -0.069 0.000 1.054 194 K CA 0.731 56.997 56.287 -0.035 0.000 1.001 194 K CB -0.306 32.178 32.500 -0.027 0.000 0.946 194 K HN 1.781 nan 8.250 nan 0.000 0.473 195 G N 1.983 110.715 108.800 -0.112 0.000 2.503 195 G HA2 0.219 4.180 3.960 0.002 0.000 0.305 195 G HA3 0.219 4.180 3.960 0.002 0.000 0.305 195 G C -1.224 173.532 174.900 -0.241 0.000 1.575 195 G CA -0.583 44.422 45.100 -0.157 0.000 0.890 195 G HN 0.623 nan 8.290 nan 0.000 0.612 196 S N 0.781 116.313 115.700 -0.279 0.000 2.823 196 S HA 0.838 5.309 4.470 0.002 0.000 0.316 196 S C 0.216 174.540 174.600 -0.460 0.000 1.116 196 S CA -0.985 56.954 58.200 -0.435 0.000 0.911 196 S CB 0.965 63.973 63.200 -0.320 0.000 1.276 196 S HN 0.704 nan 8.310 nan 0.000 0.565 197 L N 0.859 121.737 121.223 -0.575 0.000 2.476 197 L HA 0.342 4.683 4.340 0.002 0.000 0.264 197 L C 0.429 177.149 176.870 -0.250 0.000 1.224 197 L CA -0.307 54.228 54.840 -0.509 0.000 0.821 197 L CB 0.253 41.878 42.059 -0.725 0.000 1.101 197 L HN 0.634 nan 8.230 nan 0.000 0.488 198 K N 0.626 120.834 120.400 -0.320 0.000 2.205 198 K HA 0.465 4.785 4.320 0.002 0.000 0.279 198 K C 0.485 177.132 176.600 0.079 0.000 1.027 198 K CA 0.613 56.713 56.287 -0.311 0.000 0.932 198 K CB 1.165 33.117 32.500 -0.912 0.000 1.032 198 K HN 0.764 nan 8.250 nan 0.000 0.466 199 G N 1.400 110.276 108.800 0.127 0.000 2.509 199 G HA2 -0.259 3.702 3.960 0.002 0.000 0.259 199 G HA3 -0.259 3.702 3.960 0.002 0.000 0.259 199 G C -1.095 173.880 174.900 0.125 0.000 1.169 199 G CA 0.054 45.284 45.100 0.216 0.000 0.953 199 G HN 0.624 nan 8.290 nan 0.000 0.563 200 Q N 0.786 120.598 119.800 0.020 0.000 2.359 200 Q HA 0.616 4.957 4.340 0.002 0.000 0.274 200 Q C -3.132 172.507 176.000 -0.602 0.000 1.074 200 Q CA -1.930 53.730 55.803 -0.239 0.000 0.810 200 Q CB 2.152 30.816 28.738 -0.123 0.000 1.342 200 Q HN 0.358 nan 8.270 nan 0.000 0.427 201 P HA 0.096 nan 4.420 nan 0.000 0.261 201 P C 0.545 177.748 177.300 -0.161 0.000 1.173 201 P CA 2.254 65.091 63.100 -0.438 0.000 0.760 201 P CB 0.301 31.975 31.700 -0.043 0.000 0.783 202 G N 2.406 111.196 108.800 -0.017 0.000 2.376 202 G HA2 -0.194 3.767 3.960 0.002 0.000 0.208 202 G HA3 -0.194 3.767 3.960 0.002 0.000 0.208 202 G C 0.196 175.127 174.900 0.052 0.000 1.032 202 G CA 0.228 45.340 45.100 0.020 0.000 0.641 202 G HN 0.676 nan 8.290 nan 0.000 0.503 203 D N 1.590 122.021 120.400 0.052 0.000 2.356 203 D HA 0.387 5.028 4.640 0.002 0.000 0.258 203 D C 2.200 178.559 176.300 0.098 0.000 1.279 203 D CA 0.092 54.131 54.000 0.066 0.000 1.016 203 D CB 0.001 40.852 40.800 0.084 0.000 1.107 203 D HN 0.358 nan 8.370 nan 0.000 0.544 204 I N -1.696 118.825 120.570 -0.081 0.000 2.315 204 I HA -0.207 3.964 4.170 0.002 0.000 0.248 204 I C 2.207 178.388 176.117 0.107 0.000 1.117 204 I CA 1.185 62.396 61.300 -0.148 0.000 1.404 204 I CB -1.869 35.785 38.000 -0.577 0.000 1.071 204 I HN 0.380 nan 8.210 nan 0.000 0.419 205 Y N 1.214 121.734 120.300 0.368 0.000 2.184 205 Y HA -0.170 4.381 4.550 0.002 0.000 0.290 205 Y C 2.948 179.027 175.900 0.299 0.000 1.129 205 Y CA 1.582 59.905 58.100 0.372 0.000 1.144 205 Y CB -0.893 37.717 38.460 0.250 0.000 0.995 205 Y HN 0.160 nan 8.280 nan 0.000 0.513 206 H N -0.413 118.902 119.070 0.408 0.000 2.357 206 H HA -0.137 4.420 4.556 0.002 0.000 0.301 206 H C 2.100 177.708 175.328 0.466 0.000 1.082 206 H CA 1.518 57.831 56.048 0.442 0.000 1.342 206 H CB -0.159 29.864 29.762 0.435 0.000 1.389 206 H HN 0.220 nan 8.280 nan 0.000 0.511 207 Q N -0.204 119.864 119.800 0.446 0.000 2.124 207 Q HA -0.097 4.244 4.340 0.002 0.000 0.202 207 Q C 2.113 178.315 176.000 0.336 0.000 0.977 207 Q CA 1.630 57.623 55.803 0.318 0.000 0.850 207 Q CB -0.324 28.541 28.738 0.211 0.000 0.901 207 Q HN 0.488 nan 8.270 nan 0.000 0.429 208 T N 0.124 114.920 114.554 0.403 0.000 2.851 208 T HA -0.110 4.241 4.350 0.002 0.000 0.262 208 T C 1.237 176.226 174.700 0.481 0.000 1.043 208 T CA 0.531 62.883 62.100 0.420 0.000 1.140 208 T CB -0.347 68.813 68.868 0.487 0.000 0.872 208 T HN 0.488 nan 8.240 nan 0.000 0.446 209 W N 1.812 123.245 121.300 0.220 0.000 2.335 209 W HA -0.221 4.441 4.660 0.002 0.000 0.311 209 W C 2.532 179.345 176.519 0.490 0.000 1.213 209 W CA 1.002 58.467 57.345 0.200 0.000 1.274 209 W CB -0.188 29.258 29.460 -0.023 0.000 1.148 209 W HN 0.283 nan 8.180 nan 0.000 0.498 210 A N 0.693 123.802 122.820 0.482 0.000 1.902 210 A HA -0.255 4.066 4.320 0.002 0.000 0.217 210 A C 1.940 179.637 177.584 0.189 0.000 1.181 210 A CA 1.900 54.080 52.037 0.237 0.000 0.623 210 A CB -1.077 17.990 19.000 0.111 0.000 0.818 210 A HN 0.413 nan 8.150 nan 0.000 0.443 211 R N -2.120 118.507 120.500 0.211 0.000 2.193 211 R HA -0.159 4.182 4.340 0.002 0.000 0.229 211 R C 1.903 178.284 176.300 0.135 0.000 1.110 211 R CA 1.456 57.641 56.100 0.141 0.000 0.988 211 R CB -0.428 29.954 30.300 0.138 0.000 0.871 211 R HN 0.688 nan 8.270 nan 0.000 0.458 212 Y N -0.107 120.244 120.300 0.086 0.000 2.181 212 Y HA -0.247 4.304 4.550 0.002 0.000 0.288 212 Y C 1.432 177.276 175.900 -0.093 0.000 1.146 212 Y CA 1.784 59.902 58.100 0.029 0.000 1.164 212 Y CB -0.202 38.338 38.460 0.133 0.000 0.982 212 Y HN -0.004 nan 8.280 nan 0.000 0.515 213 F N -0.959 118.965 119.950 -0.043 0.000 2.202 213 F HA -0.241 4.287 4.527 0.002 0.000 0.301 213 F C 2.249 177.991 175.800 -0.097 0.000 1.082 213 F CA 1.459 59.395 58.000 -0.106 0.000 1.313 213 F CB -0.898 37.976 39.000 -0.211 0.000 1.024 213 F HN -0.084 nan 8.300 nan 0.000 0.495 214 V N -0.459 119.502 119.914 0.077 0.000 2.407 214 V HA -0.175 3.946 4.120 0.002 0.000 0.245 214 V C 2.380 178.401 176.094 -0.122 0.000 1.041 214 V CA 1.285 63.602 62.300 0.028 0.000 1.040 214 V CB -0.453 31.396 31.823 0.044 0.000 0.671 214 V HN 0.158 nan 8.190 nan 0.000 0.455 215 K N -0.084 120.115 120.400 -0.335 0.000 2.057 215 K HA -0.169 4.152 4.320 0.002 0.000 0.207 215 K C 2.088 178.197 176.600 -0.819 0.000 1.049 215 K CA 1.661 57.504 56.287 -0.741 0.000 0.931 215 K CB -0.716 30.956 32.500 -1.379 0.000 0.714 215 K HN 0.492 nan 8.250 nan 0.000 0.440 216 F N 2.222 121.726 119.950 -0.744 0.000 2.065 216 F HA -0.224 4.304 4.527 0.002 0.000 0.298 216 F C 2.042 177.698 175.800 -0.241 0.000 1.112 216 F CA 1.460 59.257 58.000 -0.338 0.000 1.212 216 F CB -0.450 38.390 39.000 -0.267 0.000 0.975 216 F HN -0.118 nan 8.300 nan 0.000 0.476 217 L N 0.000 120.976 121.223 -0.412 0.000 2.083 217 L HA -0.233 4.108 4.340 0.002 0.000 0.209 217 L C 2.216 178.818 176.870 -0.447 0.000 1.083 217 L CA 1.439 55.956 54.840 -0.539 0.000 0.752 217 L CB -0.964 40.741 42.059 -0.590 0.000 0.899 217 L HN 0.130 nan 8.230 nan 0.000 0.433 218 D N 0.363 120.632 120.400 -0.219 0.000 2.106 218 D HA -0.207 4.434 4.640 0.002 0.000 0.191 218 D C 2.232 178.492 176.300 -0.067 0.000 0.997 218 D CA 1.734 55.726 54.000 -0.012 0.000 0.834 218 D CB -0.125 40.646 40.800 -0.048 0.000 0.956 218 D HN 0.324 nan 8.370 nan 0.000 0.448 219 A N -0.246 122.498 122.820 -0.125 0.000 1.902 219 A HA -0.204 4.117 4.320 0.002 0.000 0.217 219 A C 2.111 179.707 177.584 0.021 0.000 1.181 219 A CA 1.151 53.168 52.037 -0.034 0.000 0.623 219 A CB -1.077 17.943 19.000 0.032 0.000 0.818 219 A HN 0.254 nan 8.150 nan 0.000 0.443 220 Y N -0.065 120.079 120.300 -0.261 0.000 2.352 220 Y HA -0.043 4.508 4.550 0.001 0.000 0.292 220 Y C 2.790 178.684 175.900 -0.010 0.000 1.136 220 Y CA 0.591 58.618 58.100 -0.121 0.000 1.227 220 Y CB -0.384 37.968 38.460 -0.180 0.000 0.991 220 Y HN 0.346 nan 8.280 nan 0.000 0.545 221 A N -0.119 122.740 122.820 0.066 0.000 1.969 221 A HA -0.171 4.150 4.320 0.002 0.000 0.218 221 A C 2.003 179.596 177.584 0.015 0.000 1.169 221 A CA 1.547 53.620 52.037 0.060 0.000 0.635 221 A CB -0.500 18.559 19.000 0.099 0.000 0.810 221 A HN 0.486 nan 8.150 nan 0.000 0.445 222 E N -0.677 119.493 120.200 -0.050 0.000 2.265 222 E HA -0.156 4.195 4.350 0.002 0.000 0.196 222 E C 0.979 177.425 176.600 -0.257 0.000 0.996 222 E CA 0.926 57.230 56.400 -0.161 0.000 0.832 222 E CB -0.163 29.395 29.700 -0.236 0.000 0.756 222 E HN 0.690 nan 8.360 nan 0.000 0.491 223 H N 0.435 119.476 119.070 -0.048 0.000 2.524 223 H HA 0.119 4.676 4.556 0.002 0.000 0.280 223 H C -0.006 175.380 175.328 0.097 0.000 1.018 223 H CA 0.342 56.382 56.048 -0.014 0.000 1.165 223 H CB 0.437 30.110 29.762 -0.148 0.000 1.411 223 H HN -0.023 nan 8.280 nan 0.000 0.569 224 K N 0.141 120.615 120.400 0.122 0.000 3.096 224 K HA -0.171 4.150 4.320 0.002 0.000 0.266 224 K C -0.484 176.200 176.600 0.139 0.000 1.043 224 K CA 0.353 56.716 56.287 0.127 0.000 0.758 224 K CB -2.217 30.356 32.500 0.121 0.000 1.260 224 K HN 0.373 nan 8.250 nan 0.000 0.481 225 L N 1.053 122.328 121.223 0.087 0.000 2.386 225 L HA 0.387 4.728 4.340 0.002 0.000 0.271 225 L C 0.302 177.196 176.870 0.040 0.000 0.993 225 L CA -0.859 53.989 54.840 0.014 0.000 0.819 225 L CB 1.973 44.016 42.059 -0.027 0.000 1.294 225 L HN 0.071 nan 8.230 nan 0.000 0.414 226 Q N 2.268 122.042 119.800 -0.044 0.000 2.423 226 Q HA 0.588 4.929 4.340 0.002 0.000 0.278 226 Q C -1.493 174.454 176.000 -0.088 0.000 1.097 226 Q CA -0.685 55.136 55.803 0.031 0.000 0.809 226 Q CB 2.735 31.509 28.738 0.059 0.000 1.391 226 Q HN 0.293 nan 8.270 nan 0.000 0.428 227 F N 0.300 120.257 119.950 0.012 0.000 2.458 227 F HA 0.318 4.846 4.527 0.002 0.000 0.330 227 F C 0.865 176.713 175.800 0.080 0.000 1.082 227 F CA -0.699 57.329 58.000 0.046 0.000 0.995 227 F CB 1.204 40.208 39.000 0.007 0.000 1.170 227 F HN 0.796 nan 8.300 nan 0.000 0.478 228 W N 3.028 124.382 121.300 0.090 0.000 2.441 228 W HA 0.471 5.132 4.660 0.002 0.000 0.302 228 W C -0.279 176.236 176.519 -0.007 0.000 1.191 228 W CA 1.026 58.373 57.345 0.004 0.000 1.327 228 W CB -0.115 29.318 29.460 -0.044 0.000 1.128 228 W HN 0.448 nan 8.180 nan 0.000 0.522 229 A N 0.162 122.773 122.820 -0.347 0.000 2.612 229 A HA 0.582 4.903 4.320 0.002 0.000 0.293 229 A C -1.323 176.068 177.584 -0.321 0.000 1.075 229 A CA -0.219 51.389 52.037 -0.715 0.000 0.680 229 A CB 0.810 18.769 19.000 -1.735 0.000 1.279 229 A HN 0.581 nan 8.150 nan 0.000 0.411 230 V N -1.221 118.506 119.914 -0.312 0.000 2.914 230 V HA 0.947 5.068 4.120 0.002 0.000 0.314 230 V C 0.010 175.988 176.094 -0.194 0.000 1.084 230 V CA 0.035 62.223 62.300 -0.187 0.000 0.963 230 V CB 1.413 33.200 31.823 -0.060 0.000 1.025 230 V HN 1.699 nan 8.190 nan 0.000 0.432 231 T N 0.526 115.007 114.554 -0.121 0.000 2.907 231 T HA 0.709 5.060 4.350 0.002 0.000 0.284 231 T C 1.176 175.864 174.700 -0.020 0.000 1.004 231 T CA 0.068 62.096 62.100 -0.121 0.000 1.063 231 T CB 1.600 70.384 68.868 -0.141 0.000 0.992 231 T HN 1.595 nan 8.240 nan 0.000 0.483 232 A N 1.392 124.152 122.820 -0.101 0.000 1.933 232 A HA 0.203 4.524 4.320 0.002 0.000 0.218 232 A C 0.963 178.586 177.584 0.064 0.000 1.175 232 A CA 1.533 53.510 52.037 -0.101 0.000 0.628 232 A CB -0.684 18.195 19.000 -0.202 0.000 0.814 232 A HN 0.992 nan 8.150 nan 0.000 0.444 233 E N -1.477 118.689 120.200 -0.057 0.000 2.378 233 E HA 0.336 4.687 4.350 0.002 0.000 0.283 233 E C -1.180 175.289 176.600 -0.219 0.000 0.979 233 E CA -0.535 55.843 56.400 -0.035 0.000 0.795 233 E CB 0.405 30.089 29.700 -0.025 0.000 1.221 233 E HN 0.227 nan 8.360 nan 0.000 0.428 234 N N 2.910 121.391 118.700 -0.366 0.000 2.470 234 N HA 0.122 4.863 4.740 0.002 0.000 0.268 234 N C -0.728 174.420 175.510 -0.604 0.000 1.136 234 N CA 0.326 52.977 53.050 -0.665 0.000 0.961 234 N CB 0.421 38.046 38.487 -1.438 0.000 1.067 234 N HN 0.671 nan 8.380 nan 0.000 0.468 235 E N 1.386 121.230 120.200 -0.592 0.000 2.228 235 E HA -0.177 4.174 4.350 0.002 0.000 0.213 235 E C -1.654 174.717 176.600 -0.382 0.000 1.282 235 E CA 0.023 56.105 56.400 -0.530 0.000 0.707 235 E CB -0.280 29.152 29.700 -0.446 0.000 1.150 235 E HN 0.693 nan 8.360 nan 0.000 0.362 236 P HA -0.226 nan 4.420 nan 0.000 0.219 236 P C 1.422 178.696 177.300 -0.043 0.000 1.146 236 P CA 1.788 64.867 63.100 -0.035 0.000 0.808 236 P CB 0.008 31.820 31.700 0.187 0.000 0.779 237 S N -0.343 115.267 115.700 -0.150 0.000 2.474 237 S HA 0.001 4.472 4.470 0.002 0.000 0.235 237 S C 2.087 176.571 174.600 -0.194 0.000 0.997 237 S CA 0.876 59.031 58.200 -0.074 0.000 0.949 237 S CB -1.069 62.066 63.200 -0.108 0.000 0.766 237 S HN 0.140 nan 8.310 nan 0.000 0.517 238 A N 1.512 124.109 122.820 -0.371 0.000 1.970 238 A HA 0.384 4.705 4.320 0.002 0.000 0.216 238 A C 2.216 179.414 177.584 -0.644 0.000 1.170 238 A CA 0.896 52.511 52.037 -0.702 0.000 0.645 238 A CB -1.394 16.887 19.000 -1.198 0.000 0.816 238 A HN 0.657 nan 8.150 nan 0.000 0.447 239 G N -0.526 108.043 108.800 -0.385 0.000 2.807 239 G HA2 0.127 4.088 3.960 0.002 0.000 0.207 239 G HA3 0.127 4.088 3.960 0.002 0.000 0.207 239 G C 1.052 175.861 174.900 -0.152 0.000 1.151 239 G CA 0.618 45.582 45.100 -0.226 0.000 0.800 239 G HN 0.460 nan 8.290 nan 0.000 0.523 240 L N -0.613 120.530 121.223 -0.133 0.000 2.664 240 L HA 0.379 4.720 4.340 0.002 0.000 0.233 240 L C 0.545 177.383 176.870 -0.053 0.000 1.113 240 L CA -0.156 54.642 54.840 -0.071 0.000 0.896 240 L CB 0.165 42.207 42.059 -0.028 0.000 1.163 240 L HN 0.032 nan 8.230 nan 0.000 0.497 241 L N 1.442 122.625 121.223 -0.066 0.000 2.281 241 L HA 0.202 4.543 4.340 0.002 0.000 0.285 241 L C 0.690 177.582 176.870 0.036 0.000 1.074 241 L CA -0.345 54.492 54.840 -0.005 0.000 0.817 241 L CB 1.226 43.300 42.059 0.026 0.000 1.168 241 L HN 0.151 nan 8.230 nan 0.000 0.434 242 S N 1.703 117.416 115.700 0.021 0.000 2.533 242 S HA 0.301 4.772 4.470 0.002 0.000 0.282 242 S C 1.133 175.749 174.600 0.027 0.000 1.304 242 S CA -0.120 58.091 58.200 0.017 0.000 1.063 242 S CB 1.039 64.241 63.200 0.003 0.000 0.881 242 S HN 1.043 nan 8.310 nan 0.000 0.493 243 G N 1.518 110.334 108.800 0.026 0.000 2.305 243 G HA2 -0.315 3.646 3.960 0.002 0.000 0.287 243 G HA3 -0.315 3.646 3.960 0.002 0.000 0.287 243 G C -0.211 174.692 174.900 0.004 0.000 1.036 243 G CA 0.283 45.392 45.100 0.014 0.000 0.887 243 G HN 1.072 nan 8.290 nan 0.000 0.505 244 Y N 0.935 121.187 120.300 -0.081 0.000 2.717 244 Y HA 0.298 4.849 4.550 0.002 0.000 0.330 244 Y C -0.340 175.478 175.900 -0.136 0.000 1.217 244 Y CA -0.705 57.316 58.100 -0.132 0.000 1.506 244 Y CB 1.083 39.480 38.460 -0.105 0.000 1.268 244 Y HN 0.122 nan 8.280 nan 0.000 0.561 245 P HA -0.048 nan 4.420 nan 0.000 0.226 245 P C -0.370 176.787 177.300 -0.238 0.000 1.161 245 P CA 0.921 63.720 63.100 -0.500 0.000 0.804 245 P CB 0.227 31.534 31.700 -0.654 0.000 0.829 246 F N 0.032 119.809 119.950 -0.287 0.000 2.370 246 F HA 0.300 4.828 4.527 0.002 0.000 0.324 246 F C 1.031 177.024 175.800 0.322 0.000 1.116 246 F CA -1.627 56.393 58.000 0.033 0.000 1.123 246 F CB 0.253 39.358 39.000 0.175 0.000 1.238 246 F HN -0.324 nan 8.300 nan 0.000 0.536 247 Q N 1.380 121.537 119.800 0.595 0.000 2.398 247 Q HA 0.103 4.444 4.340 0.002 0.000 0.329 247 Q C -0.501 175.798 176.000 0.499 0.000 1.079 247 Q CA 0.484 56.562 55.803 0.458 0.000 1.041 247 Q CB 0.147 29.093 28.738 0.348 0.000 1.084 247 Q HN 0.687 nan 8.270 nan 0.000 0.386 248 C N 0.514 119.970 119.300 0.260 0.000 3.306 248 C HA 0.853 5.314 4.460 0.002 0.000 0.335 248 C C -1.799 173.157 174.990 -0.057 0.000 1.382 248 C CA -1.274 57.805 59.018 0.100 0.000 1.254 248 C CB 0.898 28.678 27.740 0.066 0.000 1.555 248 C HN 0.786 nan 8.230 nan 0.000 0.463 249 L N 1.990 123.135 121.223 -0.130 0.000 2.680 249 L HA 0.673 5.014 4.340 0.002 0.000 0.260 249 L C 0.214 176.922 176.870 -0.270 0.000 0.975 249 L CA 0.483 55.165 54.840 -0.264 0.000 0.920 249 L CB 0.900 42.779 42.059 -0.299 0.000 1.234 249 L HN 1.480 nan 8.230 nan 0.000 0.429 250 G N 3.284 111.879 108.800 -0.343 0.000 2.340 250 G HA2 0.395 4.356 3.960 0.002 0.000 0.245 250 G HA3 0.395 4.356 3.960 0.002 0.000 0.245 250 G C -0.995 173.593 174.900 -0.520 0.000 1.294 250 G CA 0.167 45.097 45.100 -0.283 0.000 0.896 250 G HN 0.413 nan 8.290 nan 0.000 0.522 251 F N 0.384 120.297 119.950 -0.062 0.000 2.561 251 F HA 0.385 4.913 4.527 0.002 0.000 0.313 251 F C 0.851 176.726 175.800 0.123 0.000 1.126 251 F CA -0.787 57.189 58.000 -0.041 0.000 0.918 251 F CB 2.346 41.327 39.000 -0.032 0.000 1.199 251 F HN 0.650 nan 8.300 nan 0.000 0.444 252 T N -0.134 114.559 114.554 0.231 0.000 2.849 252 T HA 0.275 4.626 4.350 0.002 0.000 0.284 252 T C -2.015 172.511 174.700 -0.290 0.000 1.004 252 T CA -1.774 60.353 62.100 0.044 0.000 1.021 252 T CB 1.355 70.233 68.868 0.018 0.000 1.013 252 T HN 0.269 nan 8.240 nan 0.000 0.527 253 P HA -0.091 nan 4.420 nan 0.000 0.216 253 P C 1.112 178.094 177.300 -0.529 0.000 1.150 253 P CA 1.165 63.445 63.100 -1.366 0.000 0.837 253 P CB 0.026 30.831 31.700 -1.493 0.000 0.786 254 E N -1.686 118.337 120.200 -0.295 0.000 2.153 254 E HA -0.196 4.155 4.350 0.002 0.000 0.194 254 E C 2.137 178.755 176.600 0.031 0.000 0.988 254 E CA 0.986 57.312 56.400 -0.123 0.000 0.811 254 E CB -0.970 28.679 29.700 -0.085 0.000 0.746 254 E HN 0.526 nan 8.360 nan 0.000 0.466 255 H N -0.226 118.840 119.070 -0.006 0.000 2.372 255 H HA -0.035 4.521 4.556 0.001 0.000 0.301 255 H C 2.232 177.753 175.328 0.322 0.000 1.065 255 H CA 1.113 57.269 56.048 0.180 0.000 1.364 255 H CB 0.327 30.218 29.762 0.215 0.000 1.406 255 H HN 0.139 nan 8.280 nan 0.000 0.521 256 Q N 1.005 120.987 119.800 0.304 0.000 2.061 256 Q HA -0.229 4.112 4.340 0.002 0.000 0.204 256 Q C 2.553 178.604 176.000 0.087 0.000 0.984 256 Q CA 1.812 57.670 55.803 0.092 0.000 0.846 256 Q CB -0.119 28.638 28.738 0.033 0.000 0.902 256 Q HN 0.351 nan 8.270 nan 0.000 0.421 257 R N 0.049 120.557 120.500 0.014 0.000 2.112 257 R HA -0.216 4.125 4.340 0.002 0.000 0.242 257 R C 1.468 177.789 176.300 0.035 0.000 1.137 257 R CA 2.202 58.289 56.100 -0.022 0.000 0.944 257 R CB -0.360 29.895 30.300 -0.076 0.000 0.857 257 R HN 0.434 nan 8.270 nan 0.000 0.435 258 D N -0.331 120.136 120.400 0.111 0.000 2.144 258 D HA -0.155 4.486 4.640 0.002 0.000 0.200 258 D C 1.655 178.077 176.300 0.204 0.000 0.978 258 D CA 0.974 55.050 54.000 0.127 0.000 0.833 258 D CB -0.360 40.504 40.800 0.107 0.000 0.961 258 D HN 0.236 nan 8.370 nan 0.000 0.470 259 F N 1.920 121.992 119.950 0.203 0.000 2.134 259 F HA -0.111 4.417 4.527 0.002 0.000 0.299 259 F C 2.101 177.905 175.800 0.007 0.000 1.097 259 F CA 0.978 59.109 58.000 0.218 0.000 1.264 259 F CB -0.377 38.843 39.000 0.367 0.000 1.001 259 F HN -0.156 nan 8.300 nan 0.000 0.479 260 I N 0.449 120.835 120.570 -0.305 0.000 2.142 260 I HA -0.296 3.875 4.170 0.002 0.000 0.240 260 I C 2.778 178.721 176.117 -0.291 0.000 1.078 260 I CA 1.230 62.265 61.300 -0.441 0.000 1.343 260 I CB -1.306 36.544 38.000 -0.249 0.000 1.046 260 I HN 0.238 nan 8.210 nan 0.000 0.405 261 A N 1.339 124.106 122.820 -0.089 0.000 1.859 261 A HA -0.210 4.111 4.320 0.002 0.000 0.217 261 A C 2.427 180.002 177.584 -0.015 0.000 1.198 261 A CA 1.760 53.808 52.037 0.019 0.000 0.629 261 A CB -0.513 18.502 19.000 0.025 0.000 0.830 261 A HN 0.308 nan 8.150 nan 0.000 0.446 262 R N -0.755 119.725 120.500 -0.033 0.000 2.100 262 R HA 0.052 4.393 4.340 0.002 0.000 0.220 262 R C 0.902 177.167 176.300 -0.057 0.000 1.091 262 R CA 1.410 57.502 56.100 -0.014 0.000 0.986 262 R CB -0.394 29.923 30.300 0.029 0.000 0.888 262 R HN 0.646 nan 8.270 nan 0.000 0.444 263 D N -0.201 120.117 120.400 -0.136 0.000 3.234 263 D HA -0.020 4.621 4.640 0.002 0.000 0.281 263 D C 1.843 177.874 176.300 -0.449 0.000 1.405 263 D CA -0.174 53.729 54.000 -0.162 0.000 1.115 263 D CB -0.267 40.617 40.800 0.140 0.000 1.198 263 D HN -0.093 nan 8.370 nan 0.000 0.388 264 L N 2.260 122.931 121.223 -0.920 0.000 2.012 264 L HA -0.025 4.316 4.340 0.002 0.000 0.210 264 L C 2.202 178.586 176.870 -0.809 0.000 1.073 264 L CA 2.335 56.551 54.840 -1.040 0.000 0.748 264 L CB -1.132 39.973 42.059 -1.590 0.000 0.891 264 L HN 0.117 nan 8.230 nan 0.000 0.431 265 G N -0.510 107.737 108.800 -0.923 0.000 2.511 265 G HA2 -0.226 3.735 3.960 0.002 0.000 0.216 265 G HA3 -0.226 3.735 3.960 0.002 0.000 0.216 265 G C -0.582 173.520 174.900 -1.329 0.000 1.218 265 G CA 0.975 45.199 45.100 -1.460 0.000 0.788 265 G HN 0.376 nan 8.290 nan 0.000 0.560 266 P HA -0.056 nan 4.420 nan 0.000 0.216 266 P C 2.046 179.200 177.300 -0.243 0.000 1.153 266 P CA 1.936 64.814 63.100 -0.371 0.000 0.858 266 P CB -0.261 31.331 31.700 -0.179 0.000 0.789 267 T N -0.538 113.857 114.554 -0.265 0.000 2.777 267 T HA -0.079 4.272 4.350 0.002 0.000 0.266 267 T C 1.798 176.411 174.700 -0.144 0.000 1.040 267 T CA 0.969 62.971 62.100 -0.163 0.000 1.141 267 T CB -0.886 67.895 68.868 -0.144 0.000 0.868 267 T HN 0.052 nan 8.240 nan 0.000 0.444 268 L N 0.557 121.648 121.223 -0.221 0.000 2.093 268 L HA -0.047 4.294 4.340 0.002 0.000 0.208 268 L C 2.966 179.800 176.870 -0.060 0.000 1.085 268 L CA 1.065 55.817 54.840 -0.146 0.000 0.755 268 L CB -0.536 41.385 42.059 -0.230 0.000 0.904 268 L HN 0.261 nan 8.230 nan 0.000 0.435 269 A N -0.247 122.520 122.820 -0.089 0.000 1.933 269 A HA -0.243 4.078 4.320 0.002 0.000 0.218 269 A C 1.970 179.562 177.584 0.014 0.000 1.175 269 A CA 1.955 54.006 52.037 0.023 0.000 0.628 269 A CB -0.586 18.473 19.000 0.098 0.000 0.814 269 A HN 0.418 nan 8.150 nan 0.000 0.444 270 N N -0.087 118.600 118.700 -0.021 0.000 2.550 270 N HA -0.033 4.707 4.740 0.002 0.000 0.186 270 N C 0.915 176.419 175.510 -0.012 0.000 1.110 270 N CA 0.846 53.882 53.050 -0.023 0.000 0.912 270 N CB -0.248 38.221 38.487 -0.029 0.000 0.968 270 N HN 0.610 nan 8.380 nan 0.000 0.448 271 S N -2.070 113.635 115.700 0.007 0.000 2.719 271 S HA 0.203 4.674 4.470 0.002 0.000 0.285 271 S C 1.412 176.009 174.600 -0.004 0.000 1.137 271 S CA 0.071 58.260 58.200 -0.019 0.000 1.012 271 S CB 0.786 63.973 63.200 -0.022 0.000 1.134 271 S HN 0.223 nan 8.310 nan 0.000 0.544 272 T N -2.012 112.416 114.554 -0.210 0.000 3.081 272 T HA 0.135 4.486 4.350 0.002 0.000 0.255 272 T C 0.439 174.874 174.700 -0.442 0.000 1.113 272 T CA 0.342 62.265 62.100 -0.295 0.000 1.082 272 T CB -0.572 68.043 68.868 -0.421 0.000 0.939 272 T HN 0.717 nan 8.240 nan 0.000 0.506 273 H N 1.237 120.262 119.070 -0.075 0.000 2.524 273 H HA 0.239 4.796 4.556 0.002 0.000 0.297 273 H C 1.107 176.339 175.328 -0.161 0.000 1.115 273 H CA 0.052 56.017 56.048 -0.138 0.000 1.027 273 H CB -0.463 29.260 29.762 -0.065 0.000 1.591 273 H HN 0.789 nan 8.280 nan 0.000 0.543 274 H N -1.160 117.920 119.070 0.016 0.000 2.491 274 H HA 0.001 4.558 4.556 0.002 0.000 0.290 274 H C 1.117 176.441 175.328 -0.006 0.000 1.050 274 H CA 0.693 56.736 56.048 -0.007 0.000 1.309 274 H CB 0.097 29.848 29.762 -0.018 0.000 1.392 274 H HN 0.039 nan 8.280 nan 0.000 0.554 275 N N 0.893 119.417 118.700 -0.294 0.000 2.461 275 N HA 0.015 4.756 4.740 0.002 0.000 0.188 275 N C -0.412 175.043 175.510 -0.090 0.000 1.134 275 N CA 0.178 53.157 53.050 -0.119 0.000 0.878 275 N CB 0.423 38.829 38.487 -0.136 0.000 0.972 275 N HN 0.193 nan 8.380 nan 0.000 0.456 276 V N 3.036 122.899 119.914 -0.085 0.000 2.455 276 V HA 0.124 4.245 4.120 0.002 0.000 0.273 276 V C 0.780 176.755 176.094 -0.199 0.000 1.045 276 V CA -0.575 61.660 62.300 -0.108 0.000 0.976 276 V CB 0.751 32.545 31.823 -0.049 0.000 0.993 276 V HN 0.055 nan 8.190 nan 0.000 0.475 277 R N 3.563 123.853 120.500 -0.350 0.000 2.641 277 R HA 0.432 4.773 4.340 0.002 0.000 0.269 277 R C -0.558 175.516 176.300 -0.376 0.000 1.074 277 R CA -0.622 55.220 56.100 -0.430 0.000 1.133 277 R CB 0.720 30.578 30.300 -0.736 0.000 1.029 277 R HN 0.522 nan 8.270 nan 0.000 0.488 278 L N 3.108 124.177 121.223 -0.257 0.000 2.349 278 L HA 0.416 4.757 4.340 0.002 0.000 0.278 278 L C -1.091 175.657 176.870 -0.202 0.000 0.996 278 L CA -0.257 54.436 54.840 -0.244 0.000 0.825 278 L CB 1.200 43.121 42.059 -0.230 0.000 1.243 278 L HN 0.418 nan 8.230 nan 0.000 0.412 279 L N 5.379 126.459 121.223 -0.239 0.000 2.331 279 L HA 0.636 4.977 4.340 0.002 0.000 0.275 279 L C 0.137 176.907 176.870 -0.168 0.000 1.022 279 L CA -0.790 53.934 54.840 -0.194 0.000 0.812 279 L CB 1.734 43.656 42.059 -0.227 0.000 1.257 279 L HN 0.726 nan 8.230 nan 0.000 0.435 280 M N 1.333 120.851 119.600 -0.136 0.000 2.753 280 M HA 0.602 5.083 4.480 0.002 0.000 0.299 280 M C 0.385 176.601 176.300 -0.140 0.000 1.219 280 M CA -0.454 54.777 55.300 -0.116 0.000 0.900 280 M CB 1.723 34.280 32.600 -0.072 0.000 1.628 280 M HN 0.481 nan 8.290 nan 0.000 0.502 281 L N 0.273 121.402 121.223 -0.156 0.000 3.982 281 L HA -0.347 3.994 4.340 0.002 0.000 0.053 281 L C 0.206 176.796 176.870 -0.466 0.000 4.145 281 L CA 2.991 57.582 54.840 -0.415 0.000 0.834 281 L CB -1.745 40.092 42.059 -0.369 0.000 3.418 281 L HN 1.184 nan 8.230 nan 0.000 0.928 282 D N 0.453 120.626 120.400 -0.378 0.000 2.705 282 D HA -0.077 4.564 4.640 0.002 0.000 0.240 282 D C -0.456 175.320 176.300 -0.873 0.000 1.137 282 D CA 1.419 55.163 54.000 -0.427 0.000 0.677 282 D CB -0.807 39.798 40.800 -0.325 0.000 1.049 282 D HN 0.742 nan 8.370 nan 0.000 0.427 283 D N -0.906 119.005 120.400 -0.815 0.000 2.768 283 D HA 0.171 4.812 4.640 0.002 0.000 0.327 283 D C -0.425 175.568 176.300 -0.512 0.000 1.302 283 D CA -0.417 53.068 54.000 -0.858 0.000 0.897 283 D CB 0.637 40.965 40.800 -0.787 0.000 1.420 283 D HN -0.117 nan 8.370 nan 0.000 0.494 284 Q N 0.615 120.197 119.800 -0.363 0.000 2.386 284 Q HA 0.065 4.406 4.340 0.002 0.000 0.282 284 Q C 1.167 177.066 176.000 -0.168 0.000 1.050 284 Q CA 0.301 56.001 55.803 -0.173 0.000 0.918 284 Q CB 0.351 29.007 28.738 -0.137 0.000 1.266 284 Q HN 0.544 nan 8.270 nan 0.000 0.423 285 R N 1.989 122.437 120.500 -0.086 0.000 2.237 285 R HA -0.077 4.264 4.340 0.002 0.000 0.219 285 R C 1.634 177.888 176.300 -0.077 0.000 1.080 285 R CA 0.831 56.887 56.100 -0.073 0.000 0.995 285 R CB -0.494 29.785 30.300 -0.036 0.000 0.875 285 R HN 0.613 nan 8.270 nan 0.000 0.462 286 L N -0.244 120.922 121.223 -0.095 0.000 2.353 286 L HA -0.024 4.317 4.340 0.002 0.000 0.220 286 L C 1.420 178.273 176.870 -0.029 0.000 1.133 286 L CA 1.530 56.326 54.840 -0.074 0.000 0.798 286 L CB -0.717 41.281 42.059 -0.101 0.000 0.922 286 L HN 0.261 nan 8.230 nan 0.000 0.445 287 L N 0.116 121.308 121.223 -0.052 0.000 2.599 287 L HA 0.210 4.551 4.340 0.002 0.000 0.230 287 L C 0.723 177.698 176.870 0.174 0.000 1.141 287 L CA 0.051 54.910 54.840 0.032 0.000 0.877 287 L CB 0.101 41.995 42.059 -0.276 0.000 1.009 287 L HN 0.227 nan 8.230 nan 0.000 0.447 288 L N 0.193 121.470 121.223 0.090 0.000 2.330 288 L HA 0.330 4.671 4.340 0.002 0.000 0.271 288 L C -1.357 175.581 176.870 0.113 0.000 1.013 288 L CA -1.581 53.332 54.840 0.120 0.000 0.816 288 L CB 1.773 43.869 42.059 0.061 0.000 1.287 288 L HN -0.234 nan 8.230 nan 0.000 0.435 289 P HA -0.121 nan 4.420 nan 0.000 0.237 289 P C 0.964 178.398 177.300 0.223 0.000 1.178 289 P CA 0.895 64.106 63.100 0.185 0.000 0.766 289 P CB 0.170 31.975 31.700 0.175 0.000 0.876 290 H N -0.579 118.577 119.070 0.143 0.000 2.290 290 H HA -0.164 4.392 4.556 0.002 0.000 0.298 290 H C 1.716 177.108 175.328 0.108 0.000 1.087 290 H CA 2.121 58.240 56.048 0.118 0.000 1.291 290 H CB -0.951 28.871 29.762 0.101 0.000 1.369 290 H HN -0.006 nan 8.280 nan 0.000 0.492 291 W N 0.688 121.934 121.300 -0.090 0.000 2.304 291 W HA -0.245 4.416 4.660 0.001 0.000 0.315 291 W C 2.933 179.311 176.519 -0.235 0.000 1.233 291 W CA 2.653 59.895 57.345 -0.172 0.000 1.261 291 W CB -0.890 28.517 29.460 -0.089 0.000 1.150 291 W HN 0.399 nan 8.180 nan 0.000 0.494 292 A N -0.408 122.433 122.820 0.035 0.000 1.902 292 A HA -0.213 4.108 4.320 0.002 0.000 0.217 292 A C 1.892 179.224 177.584 -0.420 0.000 1.181 292 A CA 1.983 53.895 52.037 -0.209 0.000 0.623 292 A CB -0.690 18.226 19.000 -0.139 0.000 0.818 292 A HN 0.297 nan 8.150 nan 0.000 0.443 293 K N -0.514 119.817 120.400 -0.114 0.000 2.097 293 K HA -0.072 4.249 4.320 0.002 0.000 0.206 293 K C 1.843 178.359 176.600 -0.140 0.000 1.049 293 K CA 1.433 57.746 56.287 0.042 0.000 0.933 293 K CB -0.281 32.286 32.500 0.111 0.000 0.717 293 K HN 0.312 nan 8.250 nan 0.000 0.442 294 V N 0.230 119.948 119.914 -0.326 0.000 2.270 294 V HA -0.212 3.909 4.120 0.002 0.000 0.245 294 V C 2.118 178.069 176.094 -0.239 0.000 1.043 294 V CA 1.569 63.672 62.300 -0.329 0.000 1.014 294 V CB -0.289 31.222 31.823 -0.521 0.000 0.645 294 V HN 0.080 nan 8.190 nan 0.000 0.447 295 V N -0.484 119.277 119.914 -0.255 0.000 2.488 295 V HA -0.096 4.025 4.120 0.002 0.000 0.246 295 V C 2.118 178.087 176.094 -0.208 0.000 1.046 295 V CA 1.517 63.698 62.300 -0.199 0.000 1.053 295 V CB -0.338 31.389 31.823 -0.160 0.000 0.679 295 V HN 0.420 nan 8.190 nan 0.000 0.458 296 L N 0.403 121.426 121.223 -0.332 0.000 2.375 296 L HA -0.010 4.331 4.340 0.002 0.000 0.215 296 L C 2.382 179.178 176.870 -0.123 0.000 1.108 296 L CA 1.370 55.994 54.840 -0.360 0.000 0.830 296 L CB -0.647 40.904 42.059 -0.847 0.000 0.959 296 L HN 0.502 nan 8.230 nan 0.000 0.457 297 T N -3.971 110.562 114.554 -0.036 0.000 3.284 297 T HA -0.048 4.303 4.350 0.002 0.000 0.252 297 T C 0.361 175.060 174.700 -0.000 0.000 1.144 297 T CA -0.110 62.030 62.100 0.067 0.000 1.021 297 T CB -0.397 68.538 68.868 0.112 0.000 0.984 297 T HN 0.038 nan 8.240 nan 0.000 0.545 298 D N 1.346 121.722 120.400 -0.040 0.000 2.461 298 D HA 0.351 4.992 4.640 0.002 0.000 0.240 298 D C -2.132 174.139 176.300 -0.049 0.000 1.094 298 D CA -2.687 51.288 54.000 -0.042 0.000 0.868 298 D CB 2.126 42.895 40.800 -0.052 0.000 1.062 298 D HN -0.066 nan 8.370 nan 0.000 0.530 299 P HA -0.114 nan 4.420 nan 0.000 0.221 299 P C 0.926 178.169 177.300 -0.095 0.000 1.145 299 P CA 0.812 63.872 63.100 -0.065 0.000 0.795 299 P CB 0.507 32.173 31.700 -0.057 0.000 0.775 300 E N -0.484 119.675 120.200 -0.068 0.000 2.106 300 E HA -0.087 4.264 4.350 0.002 0.000 0.192 300 E C 2.005 178.602 176.600 -0.005 0.000 0.984 300 E CA 1.380 57.748 56.400 -0.054 0.000 0.806 300 E CB -1.035 28.659 29.700 -0.011 0.000 0.750 300 E HN 0.207 nan 8.360 nan 0.000 0.458 301 A N 1.386 124.202 122.820 -0.008 0.000 1.843 301 A HA 0.124 4.445 4.320 0.002 0.000 0.213 301 A C 2.402 179.976 177.584 -0.017 0.000 1.202 301 A CA 1.641 53.686 52.037 0.014 0.000 0.607 301 A CB -0.780 18.197 19.000 -0.038 0.000 0.847 301 A HN 0.243 nan 8.150 nan 0.000 0.445 302 A N 1.121 123.897 122.820 -0.073 0.000 2.024 302 A HA -0.193 4.127 4.320 0.002 0.000 0.220 302 A C 2.030 179.554 177.584 -0.100 0.000 1.164 302 A CA 1.941 53.924 52.037 -0.090 0.000 0.643 302 A CB -0.648 18.299 19.000 -0.090 0.000 0.806 302 A HN 0.692 nan 8.150 nan 0.000 0.451 303 K N -1.704 118.591 120.400 -0.175 0.000 2.442 303 K HA -0.135 4.186 4.320 0.002 0.000 0.198 303 K C 1.014 177.448 176.600 -0.277 0.000 1.044 303 K CA 1.614 57.740 56.287 -0.268 0.000 0.948 303 K CB -0.374 31.866 32.500 -0.433 0.000 0.762 303 K HN 0.657 nan 8.250 nan 0.000 0.472 304 Y N 0.657 120.904 120.300 -0.089 0.000 2.430 304 Y HA 0.183 4.734 4.550 0.002 0.000 0.248 304 Y C 0.423 176.252 175.900 -0.119 0.000 1.108 304 Y CA -0.887 57.146 58.100 -0.113 0.000 1.264 304 Y CB 1.411 39.779 38.460 -0.152 0.000 1.172 304 Y HN -0.209 nan 8.280 nan 0.000 0.520 305 V N 0.417 120.348 119.914 0.028 0.000 2.439 305 V HA 0.047 4.168 4.120 0.002 0.000 0.282 305 V C 0.380 176.478 176.094 0.007 0.000 1.039 305 V CA -0.220 62.064 62.300 -0.026 0.000 0.913 305 V CB 1.391 33.167 31.823 -0.078 0.000 0.983 305 V HN 0.291 nan 8.190 nan 0.000 0.460 306 H N 3.308 122.317 119.070 -0.101 0.000 2.516 306 H HA 0.468 5.025 4.556 0.002 0.000 0.284 306 H C 0.693 175.983 175.328 -0.063 0.000 0.999 306 H CA 0.960 56.961 56.048 -0.079 0.000 1.303 306 H CB 0.753 30.450 29.762 -0.109 0.000 1.452 306 H HN 0.757 nan 8.280 nan 0.000 0.530 307 G N -0.485 108.239 108.800 -0.127 0.000 2.682 307 G HA2 0.482 4.443 3.960 0.002 0.000 0.290 307 G HA3 0.482 4.443 3.960 0.002 0.000 0.290 307 G C -1.561 173.282 174.900 -0.096 0.000 1.425 307 G CA -0.783 44.234 45.100 -0.138 0.000 0.807 307 G HN 0.146 nan 8.290 nan 0.000 0.482 308 I N 1.174 121.709 120.570 -0.058 0.000 2.382 308 I HA 0.539 4.710 4.170 0.002 0.000 0.286 308 I C 0.451 176.556 176.117 -0.020 0.000 1.002 308 I CA -0.709 60.558 61.300 -0.055 0.000 1.135 308 I CB 1.926 39.901 38.000 -0.042 0.000 1.288 308 I HN 0.577 nan 8.210 nan 0.000 0.448 309 A N 6.851 129.643 122.820 -0.047 0.000 2.290 309 A HA 0.751 5.072 4.320 0.002 0.000 0.310 309 A C -0.275 177.269 177.584 -0.066 0.000 1.202 309 A CA -0.463 51.576 52.037 0.004 0.000 0.837 309 A CB 0.917 19.923 19.000 0.011 0.000 1.139 309 A HN 0.615 nan 8.150 nan 0.000 0.509 310 V N 0.820 120.712 119.914 -0.037 0.000 2.960 310 V HA 0.656 4.777 4.120 0.002 0.000 0.315 310 V C -0.470 175.669 176.094 0.074 0.000 1.087 310 V CA -0.748 61.528 62.300 -0.041 0.000 0.982 310 V CB 1.473 33.278 31.823 -0.029 0.000 1.039 310 V HN 0.909 nan 8.190 nan 0.000 0.437 311 H N 2.104 121.092 119.070 -0.137 0.000 2.529 311 H HA 0.367 4.924 4.556 0.002 0.000 0.348 311 H C -1.047 174.330 175.328 0.082 0.000 1.152 311 H CA -0.646 55.332 56.048 -0.116 0.000 1.202 311 H CB 1.923 31.610 29.762 -0.125 0.000 1.562 311 H HN 0.780 nan 8.280 nan 0.000 0.515 312 W N 3.123 124.430 121.300 0.013 0.000 3.221 312 W HA 0.045 4.706 4.660 0.001 0.000 0.436 312 W C 0.781 177.317 176.519 0.027 0.000 0.913 312 W CA -0.617 56.715 57.345 -0.022 0.000 2.004 312 W CB -1.432 27.967 29.460 -0.102 0.000 1.007 312 W HN 0.731 nan 8.180 nan 0.000 0.838 313 Y N 0.769 121.173 120.300 0.174 0.000 2.118 313 Y HA -0.215 4.336 4.550 0.002 0.000 0.260 313 Y C 2.108 178.148 175.900 0.233 0.000 1.087 313 Y CA 3.007 61.200 58.100 0.155 0.000 1.075 313 Y CB -0.197 38.334 38.460 0.117 0.000 0.995 313 Y HN -0.136 nan 8.280 nan 0.000 0.475 314 L N -1.014 120.289 121.223 0.134 0.000 5.044 314 L HA -0.374 3.967 4.340 0.002 0.000 0.412 314 L C 0.624 177.323 176.870 -0.284 0.000 0.971 314 L CA 0.805 55.537 54.840 -0.180 0.000 1.411 314 L CB -1.430 40.659 42.059 0.050 0.000 1.884 314 L HN 0.339 nan 8.230 nan 0.000 0.631 315 D N 0.226 120.560 120.400 -0.110 0.000 2.194 315 D HA -0.048 4.593 4.640 0.002 0.000 0.204 315 D C 1.799 178.021 176.300 -0.130 0.000 0.964 315 D CA 1.549 55.490 54.000 -0.097 0.000 0.846 315 D CB -0.116 40.649 40.800 -0.058 0.000 0.962 315 D HN 0.643 nan 8.370 nan 0.000 0.490 316 F N 0.150 120.071 119.950 -0.048 0.000 2.250 316 F HA -0.053 4.475 4.527 0.001 0.000 0.301 316 F C 1.816 177.607 175.800 -0.014 0.000 1.077 316 F CA 0.676 58.656 58.000 -0.033 0.000 1.348 316 F CB -0.982 38.003 39.000 -0.025 0.000 1.040 316 F HN -0.108 nan 8.300 nan 0.000 0.509 317 L N 0.270 121.098 121.223 -0.659 0.000 2.265 317 L HA 0.088 4.429 4.340 0.002 0.000 0.215 317 L C 1.068 177.839 176.870 -0.166 0.000 1.117 317 L CA 0.590 55.203 54.840 -0.379 0.000 0.782 317 L CB -0.755 41.031 42.059 -0.454 0.000 0.914 317 L HN 0.383 nan 8.230 nan 0.000 0.441 318 A N -0.756 121.974 122.820 -0.149 0.000 2.486 318 A HA 0.699 5.020 4.320 0.002 0.000 0.300 318 A C -2.627 174.902 177.584 -0.093 0.000 1.048 318 A CA -1.162 50.817 52.037 -0.098 0.000 0.696 318 A CB 1.339 20.281 19.000 -0.097 0.000 1.278 318 A HN -0.221 nan 8.150 nan 0.000 0.405 319 P HA 0.491 nan 4.420 nan 0.000 0.278 319 P C 0.853 178.033 177.300 -0.200 0.000 1.266 319 P CA 0.175 63.205 63.100 -0.115 0.000 0.807 319 P CB 1.201 32.851 31.700 -0.085 0.000 1.094 320 A N 0.767 123.394 122.820 -0.323 0.000 1.898 320 A HA -0.168 4.153 4.320 0.002 0.000 0.216 320 A C 2.166 179.288 177.584 -0.771 0.000 1.181 320 A CA 1.569 53.252 52.037 -0.590 0.000 0.620 320 A CB -1.188 17.304 19.000 -0.847 0.000 0.819 320 A HN 0.569 nan 8.150 nan 0.000 0.442 321 K N -0.302 119.690 120.400 -0.679 0.000 2.009 321 K HA -0.127 4.194 4.320 0.002 0.000 0.210 321 K C 2.110 178.636 176.600 -0.123 0.000 1.049 321 K CA 1.308 57.389 56.287 -0.343 0.000 0.929 321 K CB -0.323 32.141 32.500 -0.061 0.000 0.714 321 K HN 0.376 nan 8.250 nan 0.000 0.440 322 A N 0.306 123.065 122.820 -0.103 0.000 2.125 322 A HA -0.121 4.200 4.320 0.002 0.000 0.219 322 A C 1.832 179.402 177.584 -0.023 0.000 1.156 322 A CA 2.121 54.135 52.037 -0.039 0.000 0.671 322 A CB -0.431 18.548 19.000 -0.035 0.000 0.794 322 A HN 0.652 nan 8.150 nan 0.000 0.459 323 T N -3.165 111.356 114.554 -0.054 0.000 3.397 323 T HA 0.235 4.586 4.350 0.002 0.000 0.233 323 T C 1.777 176.489 174.700 0.019 0.000 0.969 323 T CA 0.475 62.565 62.100 -0.017 0.000 1.316 323 T CB -0.602 68.237 68.868 -0.047 0.000 1.175 323 T HN 0.108 nan 8.240 nan 0.000 0.381 324 L N 1.498 122.713 121.223 -0.013 0.000 2.027 324 L HA 0.134 4.475 4.340 0.002 0.000 0.206 324 L C 3.110 180.101 176.870 0.201 0.000 1.074 324 L CA 1.667 56.553 54.840 0.076 0.000 0.745 324 L CB -1.177 40.911 42.059 0.048 0.000 0.898 324 L HN 0.571 nan 8.230 nan 0.000 0.433 325 G N -0.133 108.759 108.800 0.154 0.000 2.459 325 G HA2 -0.332 3.629 3.960 0.002 0.000 0.217 325 G HA3 -0.332 3.629 3.960 0.002 0.000 0.217 325 G C 1.462 176.503 174.900 0.235 0.000 1.183 325 G CA 0.958 46.273 45.100 0.359 0.000 0.776 325 G HN 0.315 nan 8.290 nan 0.000 0.552 326 E N 0.206 120.483 120.200 0.128 0.000 2.150 326 E HA -0.056 4.295 4.350 0.002 0.000 0.193 326 E C 2.607 179.261 176.600 0.089 0.000 0.985 326 E CA 1.554 58.006 56.400 0.087 0.000 0.814 326 E CB -0.505 29.230 29.700 0.059 0.000 0.752 326 E HN 0.341 nan 8.360 nan 0.000 0.466 327 T N -0.252 114.383 114.554 0.136 0.000 2.777 327 T HA -0.160 4.191 4.350 0.002 0.000 0.266 327 T C 1.608 176.417 174.700 0.182 0.000 1.040 327 T CA 1.289 63.505 62.100 0.194 0.000 1.141 327 T CB -0.477 68.501 68.868 0.184 0.000 0.868 327 T HN 0.402 nan 8.240 nan 0.000 0.444 328 H N 1.311 120.406 119.070 0.041 0.000 2.353 328 H HA -0.017 4.540 4.556 0.002 0.000 0.300 328 H C 2.647 177.909 175.328 -0.110 0.000 1.090 328 H CA 1.477 57.472 56.048 -0.088 0.000 1.327 328 H CB -0.028 29.496 29.762 -0.396 0.000 1.383 328 H HN 0.206 nan 8.280 nan 0.000 0.508 329 R N 0.189 120.579 120.500 -0.183 0.000 2.083 329 R HA -0.129 4.212 4.340 0.002 0.000 0.237 329 R C 2.755 178.880 176.300 -0.291 0.000 1.137 329 R CA 1.656 57.617 56.100 -0.233 0.000 0.951 329 R CB -0.109 30.139 30.300 -0.088 0.000 0.851 329 R HN 0.328 nan 8.270 nan 0.000 0.434 330 L N -1.003 120.040 121.223 -0.300 0.000 2.156 330 L HA -0.038 4.303 4.340 0.002 0.000 0.208 330 L C 0.311 176.604 176.870 -0.960 0.000 1.095 330 L CA 0.834 55.291 54.840 -0.638 0.000 0.770 330 L CB 0.158 41.801 42.059 -0.694 0.000 0.914 330 L HN 0.100 nan 8.230 nan 0.000 0.439 331 F N -0.810 119.074 119.950 -0.110 0.000 2.646 331 F HA 0.289 4.817 4.527 0.002 0.000 0.336 331 F C -1.762 173.954 175.800 -0.140 0.000 1.437 331 F CA -1.403 56.538 58.000 -0.099 0.000 1.142 331 F CB 0.531 39.496 39.000 -0.057 0.000 1.530 331 F HN -0.179 nan 8.300 nan 0.000 0.591 332 P HA -0.044 nan 4.420 nan 0.000 0.237 332 P C 0.369 177.641 177.300 -0.046 0.000 1.178 332 P CA 1.085 63.993 63.100 -0.321 0.000 0.766 332 P CB 0.414 31.872 31.700 -0.403 0.000 0.876 333 N N -0.992 117.716 118.700 0.013 0.000 2.184 333 N HA 0.054 4.795 4.740 0.002 0.000 0.206 333 N C -0.084 175.437 175.510 0.018 0.000 1.151 333 N CA 0.395 53.463 53.050 0.030 0.000 0.878 333 N CB 0.419 38.918 38.487 0.020 0.000 1.014 333 N HN 0.048 nan 8.380 nan 0.000 0.512 334 T N 2.447 117.025 114.554 0.040 0.000 2.756 334 T HA 0.345 4.696 4.350 0.002 0.000 0.290 334 T C 0.514 175.218 174.700 0.008 0.000 0.985 334 T CA -0.706 61.384 62.100 -0.017 0.000 0.955 334 T CB 0.968 69.818 68.868 -0.030 0.000 0.930 334 T HN 0.066 nan 8.240 nan 0.000 0.451 335 M N 3.423 122.984 119.600 -0.064 0.000 2.238 335 M HA 0.448 4.929 4.480 0.002 0.000 0.347 335 M C -0.899 175.413 176.300 0.020 0.000 1.173 335 M CA 0.027 55.322 55.300 -0.007 0.000 1.147 335 M CB -0.248 32.332 32.600 -0.034 0.000 1.547 335 M HN 0.358 nan 8.290 nan 0.000 0.455 336 L N 4.158 125.412 121.223 0.052 0.000 2.292 336 L HA 0.608 4.949 4.340 0.002 0.000 0.284 336 L C -1.006 175.876 176.870 0.020 0.000 1.065 336 L CA -0.166 54.694 54.840 0.035 0.000 0.806 336 L CB 0.708 42.790 42.059 0.038 0.000 1.175 336 L HN 0.826 nan 8.230 nan 0.000 0.431 337 F N 2.585 122.430 119.950 -0.174 0.000 2.561 337 F HA 0.640 5.168 4.527 0.001 0.000 0.313 337 F C -0.154 175.445 175.800 -0.336 0.000 1.126 337 F CA -0.765 57.072 58.000 -0.272 0.000 0.918 337 F CB 1.438 40.390 39.000 -0.079 0.000 1.199 337 F HN 0.443 nan 8.300 nan 0.000 0.444 338 A N 3.807 125.979 122.820 -1.079 0.000 2.410 338 A HA 0.400 4.721 4.320 0.002 0.000 0.292 338 A C 0.673 177.786 177.584 -0.784 0.000 1.232 338 A CA 0.362 51.866 52.037 -0.888 0.000 0.893 338 A CB -0.307 18.018 19.000 -1.124 0.000 1.131 338 A HN 0.960 nan 8.150 nan 0.000 0.530 339 S N 1.525 117.068 115.700 -0.261 0.000 2.486 339 S HA 0.104 4.575 4.470 0.002 0.000 0.220 339 S C 0.565 175.042 174.600 -0.206 0.000 1.011 339 S CA 0.605 58.815 58.200 0.017 0.000 0.921 339 S CB 0.099 63.407 63.200 0.181 0.000 0.785 339 S HN 0.751 nan 8.310 nan 0.000 0.517 340 E N 0.922 120.820 120.200 -0.503 0.000 2.914 340 E HA 0.529 4.880 4.350 0.002 0.000 0.246 340 E C -1.235 174.942 176.600 -0.705 0.000 1.146 340 E CA -0.369 55.616 56.400 -0.692 0.000 0.803 340 E CB 0.933 29.818 29.700 -1.359 0.000 1.409 340 E HN 0.413 nan 8.360 nan 0.000 0.392 341 A N 3.167 125.513 122.820 -0.791 0.000 2.922 341 A HA 0.402 4.723 4.320 0.002 0.000 0.298 341 A C -0.307 176.836 177.584 -0.734 0.000 1.588 341 A CA -0.376 50.742 52.037 -1.530 0.000 1.288 341 A CB -0.434 17.426 19.000 -1.900 0.000 1.130 341 A HN 0.575 nan 8.150 nan 0.000 0.557 342 C N 1.472 120.643 119.300 -0.215 0.000 3.291 342 C HA 0.615 5.076 4.460 0.002 0.000 0.316 342 C C 1.478 176.594 174.990 0.209 0.000 1.391 342 C CA 0.136 59.219 59.018 0.108 0.000 1.394 342 C CB 0.508 28.408 27.740 0.266 0.000 1.744 342 C HN 0.958 nan 8.230 nan 0.000 0.461 343 V N 2.787 122.852 119.914 0.253 0.000 2.327 343 V HA 0.013 4.134 4.120 0.002 0.000 0.190 343 V C 1.478 177.498 176.094 -0.123 0.000 0.850 343 V CA 2.039 64.415 62.300 0.128 0.000 1.001 343 V CB -1.659 30.275 31.823 0.186 0.000 0.680 343 V HN 1.382 nan 8.190 nan 0.000 0.535 344 G N -1.221 107.318 108.800 -0.435 0.000 2.489 344 G HA2 0.512 4.472 3.960 0.002 0.000 0.327 344 G HA3 0.512 4.472 3.960 0.002 0.000 0.327 344 G C -0.458 174.310 174.900 -0.221 0.000 1.189 344 G CA 0.289 45.136 45.100 -0.421 0.000 0.962 344 G HN 0.902 nan 8.290 nan 0.000 0.486 345 S N 0.542 116.199 115.700 -0.072 0.000 2.481 345 S HA 0.210 4.681 4.470 0.002 0.000 0.276 345 S C 0.524 175.004 174.600 -0.200 0.000 1.247 345 S CA -0.655 57.488 58.200 -0.095 0.000 1.053 345 S CB 0.120 63.340 63.200 0.033 0.000 0.925 345 S HN 0.418 nan 8.310 nan 0.000 0.491 346 K N 4.248 124.391 120.400 -0.427 0.000 2.530 346 K HA -0.104 4.217 4.320 0.002 0.000 0.280 346 K C 1.146 177.372 176.600 -0.624 0.000 1.004 346 K CA 0.378 56.214 56.287 -0.751 0.000 1.071 346 K CB -0.120 31.429 32.500 -1.584 0.000 0.876 346 K HN 0.869 nan 8.250 nan 0.000 0.487 347 F N 1.576 121.359 119.950 -0.280 0.000 2.271 347 F HA -0.218 4.310 4.527 0.002 0.000 0.302 347 F C 1.196 177.087 175.800 0.152 0.000 1.063 347 F CA 0.898 58.931 58.000 0.055 0.000 1.362 347 F CB -0.272 38.846 39.000 0.197 0.000 1.060 347 F HN 0.707 nan 8.300 nan 0.000 0.521 348 W N 0.866 121.803 121.300 -0.605 0.000 2.846 348 W HA 0.529 5.190 4.660 0.001 0.000 0.391 348 W C -0.401 175.998 176.519 -0.200 0.000 1.011 348 W CA -0.832 56.204 57.345 -0.515 0.000 1.832 348 W CB -0.793 28.173 29.460 -0.825 0.000 1.151 348 W HN -0.111 nan 8.180 nan 0.000 0.582 349 E N 1.246 121.156 120.200 -0.484 0.000 2.249 349 E HA 0.212 4.562 4.350 0.002 0.000 0.263 349 E C -0.062 176.467 176.600 -0.118 0.000 0.950 349 E CA -1.014 55.204 56.400 -0.304 0.000 0.827 349 E CB 1.547 30.959 29.700 -0.480 0.000 1.220 349 E HN -0.053 nan 8.360 nan 0.000 0.411 350 Q N 0.505 120.271 119.800 -0.056 0.000 2.421 350 Q HA 0.063 4.404 4.340 0.002 0.000 0.255 350 Q C 0.842 176.833 176.000 -0.015 0.000 1.013 350 Q CA 0.164 55.961 55.803 -0.009 0.000 0.895 350 Q CB 1.144 29.889 28.738 0.012 0.000 1.271 350 Q HN 0.533 nan 8.270 nan 0.000 0.460 351 S N 0.261 115.987 115.700 0.043 0.000 2.353 351 S HA -0.089 4.382 4.470 0.002 0.000 0.222 351 S C 0.663 175.286 174.600 0.038 0.000 1.035 351 S CA 0.744 58.996 58.200 0.087 0.000 1.025 351 S CB 0.234 63.506 63.200 0.120 0.000 0.902 351 S HN 0.413 nan 8.310 nan 0.000 0.440 352 V N 2.167 122.083 119.914 0.003 0.000 2.398 352 V HA 0.422 4.543 4.120 0.002 0.000 0.286 352 V C -0.124 175.893 176.094 -0.129 0.000 1.026 352 V CA -0.456 61.821 62.300 -0.039 0.000 0.868 352 V CB 1.390 33.204 31.823 -0.015 0.000 0.982 352 V HN 0.205 nan 8.190 nan 0.000 0.443 353 R N 4.791 125.147 120.500 -0.240 0.000 2.371 353 R HA 0.492 4.833 4.340 0.002 0.000 0.312 353 R C -1.086 175.020 176.300 -0.322 0.000 0.980 353 R CA -0.673 55.096 56.100 -0.552 0.000 0.867 353 R CB 1.499 31.251 30.300 -0.913 0.000 1.163 353 R HN 0.613 nan 8.270 nan 0.000 0.492 354 L N 2.803 123.966 121.223 -0.101 0.000 2.485 354 L HA 0.170 4.511 4.340 0.002 0.000 0.279 354 L C 1.208 178.214 176.870 0.228 0.000 1.124 354 L CA 0.668 55.471 54.840 -0.062 0.000 0.888 354 L CB 0.744 42.443 42.059 -0.601 0.000 1.217 354 L HN 1.051 nan 8.230 nan 0.000 0.464 355 G N 1.725 110.626 108.800 0.169 0.000 2.168 355 G HA2 -0.256 3.705 3.960 0.002 0.000 0.197 355 G HA3 -0.256 3.705 3.960 0.002 0.000 0.197 355 G C 0.376 175.426 174.900 0.251 0.000 0.997 355 G CA 0.018 45.269 45.100 0.253 0.000 0.658 355 G HN 0.578 nan 8.290 nan 0.000 0.513 356 S N 0.547 116.321 115.700 0.124 0.000 2.519 356 S HA 0.170 4.641 4.470 0.002 0.000 0.310 356 S C 1.342 176.033 174.600 0.152 0.000 1.201 356 S CA 0.541 58.793 58.200 0.086 0.000 1.179 356 S CB -0.384 62.763 63.200 -0.088 0.000 1.104 356 S HN 0.463 nan 8.310 nan 0.000 0.527 357 W N 4.855 126.179 121.300 0.041 0.000 2.381 357 W HA -0.181 4.480 4.660 0.002 0.000 0.301 357 W C 1.474 177.988 176.519 -0.009 0.000 1.205 357 W CA 1.843 59.218 57.345 0.049 0.000 1.285 357 W CB -0.595 28.894 29.460 0.049 0.000 1.133 357 W HN 0.893 nan 8.180 nan 0.000 0.521 358 D N 0.158 120.599 120.400 0.069 0.000 2.133 358 D HA -0.257 4.384 4.640 0.002 0.000 0.195 358 D C 2.173 178.399 176.300 -0.123 0.000 0.997 358 D CA 2.151 56.136 54.000 -0.025 0.000 0.840 358 D CB -0.253 40.572 40.800 0.042 0.000 0.947 358 D HN 0.083 nan 8.370 nan 0.000 0.452 359 R N -0.449 119.987 120.500 -0.107 0.000 2.092 359 R HA 0.030 4.371 4.340 0.002 0.000 0.231 359 R C 2.527 178.747 176.300 -0.134 0.000 1.119 359 R CA 1.076 57.134 56.100 -0.070 0.000 0.970 359 R CB -0.480 29.794 30.300 -0.045 0.000 0.864 359 R HN 0.283 nan 8.270 nan 0.000 0.440 360 G N 1.229 109.802 108.800 -0.378 0.000 2.480 360 G HA2 -0.284 3.677 3.960 0.002 0.000 0.216 360 G HA3 -0.284 3.677 3.960 0.002 0.000 0.216 360 G C 1.443 175.720 174.900 -1.038 0.000 1.200 360 G CA 0.826 45.465 45.100 -0.767 0.000 0.782 360 G HN 0.147 nan 8.290 nan 0.000 0.554 361 M N 0.015 118.984 119.600 -1.051 0.000 2.144 361 M HA -0.164 4.317 4.480 0.002 0.000 0.260 361 M C 2.743 178.954 176.300 -0.147 0.000 1.067 361 M CA 1.480 56.477 55.300 -0.505 0.000 1.095 361 M CB -0.481 31.965 32.600 -0.257 0.000 1.365 361 M HN 0.317 nan 8.290 nan 0.000 0.406 362 Q N -0.670 119.073 119.800 -0.097 0.000 2.096 362 Q HA -0.199 4.142 4.340 0.002 0.000 0.204 362 Q C 1.862 177.848 176.000 -0.024 0.000 0.982 362 Q CA 1.671 57.469 55.803 -0.009 0.000 0.850 362 Q CB -0.173 28.574 28.738 0.014 0.000 0.901 362 Q HN 0.491 nan 8.270 nan 0.000 0.422 363 Y N 0.551 120.780 120.300 -0.118 0.000 2.070 363 Y HA -0.267 4.284 4.550 0.001 0.000 0.279 363 Y C 2.937 178.783 175.900 -0.090 0.000 1.134 363 Y CA 1.641 59.726 58.100 -0.025 0.000 1.113 363 Y CB -0.745 37.779 38.460 0.107 0.000 0.981 363 Y HN 0.186 nan 8.280 nan 0.000 0.487 364 S N -0.936 114.889 115.700 0.208 0.000 2.370 364 S HA -0.321 4.150 4.470 0.002 0.000 0.226 364 S C 2.003 176.667 174.600 0.108 0.000 1.033 364 S CA 1.688 60.045 58.200 0.262 0.000 1.011 364 S CB -1.174 62.401 63.200 0.625 0.000 0.852 364 S HN 0.673 nan 8.310 nan 0.000 0.457 365 H N 0.891 119.951 119.070 -0.017 0.000 2.387 365 H HA -0.087 4.470 4.556 0.002 0.000 0.299 365 H C 2.373 177.583 175.328 -0.195 0.000 1.099 365 H CA 1.621 57.628 56.048 -0.067 0.000 1.315 365 H CB -0.261 29.458 29.762 -0.071 0.000 1.380 365 H HN 0.589 nan 8.280 nan 0.000 0.513 366 S N -0.160 115.230 115.700 -0.516 0.000 2.414 366 S HA -0.025 4.446 4.470 0.002 0.000 0.227 366 S C 2.280 176.491 174.600 -0.648 0.000 1.022 366 S CA 0.606 58.283 58.200 -0.871 0.000 0.958 366 S CB -0.181 62.179 63.200 -1.400 0.000 0.797 366 S HN 0.434 nan 8.310 nan 0.000 0.493 367 I N 1.235 121.505 120.570 -0.500 0.000 2.226 367 I HA -0.156 4.015 4.170 0.002 0.000 0.245 367 I C 2.181 178.112 176.117 -0.311 0.000 1.100 367 I CA 1.203 62.245 61.300 -0.431 0.000 1.374 367 I CB -0.373 36.952 38.000 -1.126 0.000 1.057 367 I HN 0.328 nan 8.210 nan 0.000 0.413 368 I N 0.410 120.823 120.570 -0.261 0.000 2.099 368 I HA -0.320 3.851 4.170 0.002 0.000 0.239 368 I C 2.573 178.675 176.117 -0.026 0.000 1.066 368 I CA 1.853 63.138 61.300 -0.024 0.000 1.324 368 I CB -0.724 37.345 38.000 0.116 0.000 1.037 368 I HN 0.231 nan 8.210 nan 0.000 0.401 369 T N 0.276 114.756 114.554 -0.123 0.000 2.699 369 T HA -0.223 4.128 4.350 0.002 0.000 0.268 369 T C 1.666 176.427 174.700 0.101 0.000 1.036 369 T CA 1.831 63.901 62.100 -0.051 0.000 1.147 369 T CB -0.612 68.117 68.868 -0.233 0.000 0.862 369 T HN 0.407 nan 8.240 nan 0.000 0.446 370 N N 0.586 119.353 118.700 0.112 0.000 2.058 370 N HA -0.012 4.729 4.740 0.002 0.000 0.191 370 N C 1.915 177.568 175.510 0.237 0.000 1.037 370 N CA 0.972 54.178 53.050 0.261 0.000 0.848 370 N CB -0.258 38.577 38.487 0.581 0.000 1.021 370 N HN 0.271 nan 8.380 nan 0.000 0.422 371 L N 1.221 122.623 121.223 0.298 0.000 2.051 371 L HA -0.210 4.131 4.340 0.002 0.000 0.214 371 L C 2.073 178.886 176.870 -0.096 0.000 1.076 371 L CA 1.095 56.035 54.840 0.167 0.000 0.758 371 L CB -0.426 41.742 42.059 0.180 0.000 0.890 371 L HN 0.251 nan 8.230 nan 0.000 0.433 372 L N -1.829 119.296 121.223 -0.164 0.000 2.551 372 L HA -0.158 4.183 4.340 0.002 0.000 0.228 372 L C 0.556 176.873 176.870 -0.922 0.000 1.153 372 L CA 0.675 55.231 54.840 -0.473 0.000 0.851 372 L CB -0.147 41.687 42.059 -0.374 0.000 0.959 372 L HN 0.252 nan 8.230 nan 0.000 0.451 373 Y N -1.336 118.753 120.300 -0.352 0.000 2.634 373 Y HA 0.246 4.797 4.550 0.002 0.000 0.292 373 Y C 0.414 176.133 175.900 -0.302 0.000 0.996 373 Y CA -0.759 57.094 58.100 -0.411 0.000 1.165 373 Y CB -0.306 38.093 38.460 -0.101 0.000 1.194 373 Y HN 0.165 nan 8.280 nan 0.000 0.585 374 H N -2.926 116.075 119.070 -0.116 0.000 3.428 374 H HA -0.143 4.414 4.556 0.002 0.000 0.204 374 H C 0.021 175.299 175.328 -0.083 0.000 1.078 374 H CA 0.543 56.489 56.048 -0.170 0.000 1.183 374 H CB -1.676 27.836 29.762 -0.417 0.000 1.132 374 H HN 0.111 nan 8.280 nan 0.000 0.323 375 V N 2.792 122.706 119.914 0.001 0.000 2.572 375 V HA 0.065 4.186 4.120 0.002 0.000 0.291 375 V C 1.985 177.930 176.094 -0.248 0.000 1.039 375 V CA 0.668 62.864 62.300 -0.173 0.000 1.055 375 V CB 1.544 33.194 31.823 -0.288 0.000 0.969 375 V HN 0.347 nan 8.190 nan 0.000 0.482 376 V N 1.729 121.470 119.914 -0.289 0.000 3.644 376 V HA 0.653 4.774 4.120 0.002 0.000 0.267 376 V C 0.718 176.660 176.094 -0.254 0.000 1.277 376 V CA 0.987 63.214 62.300 -0.123 0.000 1.096 376 V CB -0.056 31.791 31.823 0.039 0.000 0.828 376 V HN 0.940 nan 8.190 nan 0.000 0.446 377 G N -1.852 106.450 108.800 -0.830 0.000 2.608 377 G HA2 0.522 4.483 3.960 0.002 0.000 0.291 377 G HA3 0.522 4.483 3.960 0.002 0.000 0.291 377 G C -2.263 171.499 174.900 -1.897 0.000 1.425 377 G CA -0.696 43.846 45.100 -0.929 0.000 0.787 377 G HN 0.158 nan 8.290 nan 0.000 0.484 378 W N -0.016 120.594 121.300 -1.150 0.000 3.274 378 W HA 0.537 5.198 4.660 0.001 0.000 0.327 378 W C -1.089 175.084 176.519 -0.576 0.000 1.172 378 W CA -0.559 56.248 57.345 -0.898 0.000 1.217 378 W CB 2.669 31.790 29.460 -0.565 0.000 1.376 378 W HN 0.500 nan 8.180 nan 0.000 0.507 379 T N 2.342 116.713 114.554 -0.306 0.000 2.847 379 T HA 0.093 4.444 4.350 0.002 0.000 0.291 379 T C -0.305 174.306 174.700 -0.148 0.000 0.998 379 T CA -0.305 61.735 62.100 -0.100 0.000 0.967 379 T CB 1.340 70.268 68.868 0.100 0.000 0.954 379 T HN 0.255 nan 8.240 nan 0.000 0.441 380 D N 1.717 122.081 120.400 -0.060 0.000 2.354 380 D HA 0.068 4.709 4.640 0.002 0.000 0.238 380 D C 0.573 176.990 176.300 0.195 0.000 1.250 380 D CA -0.156 53.884 54.000 0.066 0.000 0.911 380 D CB 0.737 41.669 40.800 0.219 0.000 1.163 380 D HN 0.518 nan 8.370 nan 0.000 0.456 381 W N 1.087 122.377 121.300 -0.017 0.000 1.645 381 W HA 0.046 4.707 4.660 0.001 0.000 0.602 381 W C 0.487 176.975 176.519 -0.051 0.000 1.821 381 W CA -0.811 56.510 57.345 -0.041 0.000 2.025 381 W CB 0.052 29.488 29.460 -0.041 0.000 2.869 381 W HN 0.264 nan 8.180 nan 0.000 0.806 382 N N 2.574 120.985 118.700 -0.482 0.000 2.217 382 N HA -0.143 4.598 4.740 0.002 0.000 0.268 382 N C 0.942 176.358 175.510 -0.157 0.000 1.290 382 N CA 0.622 53.350 53.050 -0.538 0.000 0.831 382 N CB 0.694 38.684 38.487 -0.829 0.000 1.057 382 N HN 0.354 nan 8.380 nan 0.000 0.481 383 L N 1.140 122.316 121.223 -0.079 0.000 2.012 383 L HA -0.155 4.186 4.340 0.002 0.000 0.210 383 L C 1.172 178.145 176.870 0.171 0.000 1.073 383 L CA 1.286 56.152 54.840 0.044 0.000 0.748 383 L CB -0.211 41.878 42.059 0.050 0.000 0.891 383 L HN 0.600 nan 8.230 nan 0.000 0.431 384 A N -0.960 121.885 122.820 0.042 0.000 2.498 384 A HA 0.776 5.097 4.320 0.002 0.000 0.298 384 A C -1.041 176.514 177.584 -0.049 0.000 1.075 384 A CA -0.468 51.584 52.037 0.024 0.000 0.714 384 A CB 1.706 20.712 19.000 0.011 0.000 1.299 384 A HN 0.050 nan 8.150 nan 0.000 0.407 385 L N 0.912 122.124 121.223 -0.019 0.000 2.359 385 L HA 0.435 4.776 4.340 0.002 0.000 0.256 385 L C -0.245 176.641 176.870 0.028 0.000 1.026 385 L CA -1.194 53.639 54.840 -0.011 0.000 0.828 385 L CB 2.393 44.440 42.059 -0.019 0.000 1.406 385 L HN 0.999 nan 8.230 nan 0.000 0.413 386 N N 0.231 118.956 118.700 0.041 0.000 2.379 386 N HA 0.267 5.008 4.740 0.002 0.000 0.260 386 N C -2.382 173.160 175.510 0.055 0.000 1.254 386 N CA -1.586 51.493 53.050 0.049 0.000 0.958 386 N CB -0.044 38.470 38.487 0.045 0.000 1.208 386 N HN 0.191 nan 8.380 nan 0.000 0.532 387 P HA 0.004 nan 4.420 nan 0.000 0.239 387 P C -0.057 177.263 177.300 0.034 0.000 1.184 387 P CA 0.985 64.111 63.100 0.043 0.000 0.760 387 P CB 0.170 31.900 31.700 0.050 0.000 0.884 388 E N -1.196 119.030 120.200 0.043 0.000 2.474 388 E HA 0.277 4.628 4.350 0.002 0.000 0.194 388 E C 1.265 177.898 176.600 0.055 0.000 1.041 388 E CA 0.456 56.880 56.400 0.041 0.000 0.874 388 E CB -0.536 29.184 29.700 0.033 0.000 0.914 388 E HN 0.097 nan 8.360 nan 0.000 0.498 389 G N -0.235 108.611 108.800 0.077 0.000 2.203 389 G HA2 -0.100 3.860 3.960 0.002 0.000 0.231 389 G HA3 -0.100 3.860 3.960 0.002 0.000 0.231 389 G C 0.340 175.365 174.900 0.208 0.000 1.058 389 G CA -0.136 45.044 45.100 0.133 0.000 0.781 389 G HN 0.556 nan 8.290 nan 0.000 0.496 390 G N -0.960 107.929 108.800 0.148 0.000 2.827 390 G HA2 0.870 4.831 3.960 0.002 0.000 0.296 390 G HA3 0.870 4.831 3.960 0.002 0.000 0.296 390 G C -3.084 171.887 174.900 0.119 0.000 1.362 390 G CA -0.629 44.557 45.100 0.144 0.000 0.809 390 G HN 0.229 nan 8.290 nan 0.000 0.522 391 P HA 0.135 nan 4.420 nan 0.000 0.271 391 P C -1.042 176.269 177.300 0.019 0.000 1.220 391 P CA -0.074 63.062 63.100 0.060 0.000 0.768 391 P CB 1.023 32.757 31.700 0.056 0.000 0.848 392 N N 3.302 121.927 118.700 -0.125 0.000 2.346 392 N HA 0.107 4.848 4.740 0.002 0.000 0.289 392 N C 0.847 176.223 175.510 -0.223 0.000 1.027 392 N CA -0.783 52.026 53.050 -0.402 0.000 0.864 392 N CB 1.172 39.202 38.487 -0.763 0.000 1.370 392 N HN 0.526 nan 8.380 nan 0.000 0.481 393 W N 4.211 125.376 121.300 -0.226 0.000 2.937 393 W HA 0.138 4.799 4.660 0.001 0.000 0.245 393 W C -0.578 175.886 176.519 -0.091 0.000 1.306 393 W CA -0.048 57.224 57.345 -0.121 0.000 1.470 393 W CB -0.295 29.116 29.460 -0.082 0.000 1.132 393 W HN 0.182 nan 8.180 nan 0.000 0.675 394 V N 1.160 120.617 119.914 -0.761 0.000 2.939 394 V HA 0.345 4.466 4.120 0.002 0.000 0.228 394 V C 0.533 176.411 176.094 -0.360 0.000 1.162 394 V CA 0.576 62.469 62.300 -0.678 0.000 1.222 394 V CB -0.096 31.291 31.823 -0.728 0.000 1.053 394 V HN -0.138 nan 8.190 nan 0.000 0.504 395 R N 1.091 121.378 120.500 -0.355 0.000 2.522 395 R HA 0.315 4.656 4.340 0.002 0.000 0.273 395 R C -1.557 174.504 176.300 -0.398 0.000 1.133 395 R CA -0.609 55.258 56.100 -0.389 0.000 0.969 395 R CB 1.495 31.458 30.300 -0.563 0.000 1.235 395 R HN 0.308 nan 8.270 nan 0.000 0.433 396 N N 2.921 121.438 118.700 -0.304 0.000 2.416 396 N HA 0.025 4.766 4.740 0.002 0.000 0.271 396 N C -0.046 175.422 175.510 -0.071 0.000 1.245 396 N CA 0.399 53.378 53.050 -0.118 0.000 0.940 396 N CB 0.120 38.578 38.487 -0.047 0.000 1.175 396 N HN 0.435 nan 8.380 nan 0.000 0.483 397 F N 0.279 120.348 119.950 0.199 0.000 2.711 397 F HA 0.160 4.688 4.527 0.002 0.000 0.296 397 F C 0.748 176.718 175.800 0.284 0.000 1.096 397 F CA -0.191 57.959 58.000 0.249 0.000 1.280 397 F CB 0.362 39.551 39.000 0.316 0.000 1.060 397 F HN 0.203 nan 8.300 nan 0.000 0.608 398 V N -2.823 117.416 119.914 0.542 0.000 3.046 398 V HA 0.556 4.677 4.120 0.002 0.000 0.316 398 V C -0.414 175.827 176.094 0.246 0.000 1.104 398 V CA -0.984 61.558 62.300 0.403 0.000 1.006 398 V CB 2.046 34.167 31.823 0.498 0.000 1.058 398 V HN -0.190 nan 8.190 nan 0.000 0.440 399 D N 0.510 121.021 120.400 0.184 0.000 2.387 399 D HA 0.586 5.227 4.640 0.002 0.000 0.251 399 D C -0.516 175.842 176.300 0.098 0.000 1.141 399 D CA 0.193 54.257 54.000 0.107 0.000 0.987 399 D CB 1.982 42.824 40.800 0.069 0.000 1.116 399 D HN 0.903 nan 8.370 nan 0.000 0.491 400 S N -0.074 115.659 115.700 0.056 0.000 2.541 400 S HA 0.447 4.918 4.470 0.002 0.000 0.280 400 S C -2.178 172.467 174.600 0.075 0.000 1.112 400 S CA -1.366 56.869 58.200 0.058 0.000 0.925 400 S CB 1.796 64.999 63.200 0.006 0.000 1.067 400 S HN 0.075 nan 8.310 nan 0.000 0.479 401 P HA 0.026 nan 4.420 nan 0.000 0.217 401 P C -0.306 177.092 177.300 0.163 0.000 1.148 401 P CA 1.288 64.489 63.100 0.168 0.000 0.834 401 P CB 0.038 31.931 31.700 0.322 0.000 0.783 402 I N -0.494 120.163 120.570 0.146 0.000 2.436 402 I HA 0.229 4.400 4.170 0.002 0.000 0.289 402 I C -0.368 175.799 176.117 0.084 0.000 1.010 402 I CA -0.917 60.421 61.300 0.063 0.000 1.098 402 I CB 2.003 39.971 38.000 -0.053 0.000 1.266 402 I HN -0.292 nan 8.210 nan 0.000 0.434 403 I N 7.053 127.697 120.570 0.123 0.000 2.404 403 I HA 0.399 4.570 4.170 0.002 0.000 0.293 403 I C -0.165 176.030 176.117 0.132 0.000 0.992 403 I CA -0.777 60.601 61.300 0.131 0.000 1.149 403 I CB 1.774 39.868 38.000 0.155 0.000 1.315 403 I HN 0.116 nan 8.210 nan 0.000 0.446 404 V N 4.928 124.887 119.914 0.074 0.000 2.417 404 V HA 0.303 4.424 4.120 0.002 0.000 0.291 404 V C -0.299 175.810 176.094 0.025 0.000 1.024 404 V CA -0.574 61.745 62.300 0.031 0.000 0.861 404 V CB 2.044 33.874 31.823 0.011 0.000 0.985 404 V HN 0.636 nan 8.190 nan 0.000 0.436 405 D N 3.982 124.363 120.400 -0.030 0.000 2.473 405 D HA 0.305 4.946 4.640 0.002 0.000 0.226 405 D C 1.148 177.455 176.300 0.012 0.000 1.089 405 D CA -0.520 53.492 54.000 0.020 0.000 0.883 405 D CB 1.069 41.903 40.800 0.057 0.000 1.029 405 D HN 0.545 nan 8.370 nan 0.000 0.517 406 I N 1.216 121.801 120.570 0.026 0.000 2.361 406 I HA -0.148 4.023 4.170 0.002 0.000 0.251 406 I C 1.736 177.867 176.117 0.024 0.000 1.133 406 I CA 1.355 62.669 61.300 0.022 0.000 1.413 406 I CB -0.768 37.244 38.000 0.021 0.000 1.073 406 I HN 0.307 nan 8.210 nan 0.000 0.424 407 T N -0.688 113.886 114.554 0.032 0.000 2.881 407 T HA -0.099 4.252 4.350 0.002 0.000 0.270 407 T C 1.534 176.252 174.700 0.030 0.000 1.068 407 T CA 1.194 63.314 62.100 0.034 0.000 1.131 407 T CB -0.326 68.567 68.868 0.043 0.000 0.871 407 T HN 0.531 nan 8.240 nan 0.000 0.479 408 K N 0.534 120.950 120.400 0.027 0.000 2.438 408 K HA 0.157 4.478 4.320 0.002 0.000 0.205 408 K C 0.060 176.662 176.600 0.002 0.000 1.033 408 K CA 0.138 56.437 56.287 0.019 0.000 1.089 408 K CB 0.351 32.870 32.500 0.031 0.000 0.857 408 K HN 0.167 nan 8.250 nan 0.000 0.522 409 D N 2.701 123.106 120.400 0.008 0.000 2.706 409 D HA -0.170 4.471 4.640 0.002 0.000 0.230 409 D C -0.782 175.521 176.300 0.006 0.000 1.184 409 D CA 1.288 55.299 54.000 0.017 0.000 0.628 409 D CB -0.649 40.164 40.800 0.022 0.000 1.019 409 D HN 0.420 nan 8.370 nan 0.000 0.415 410 T N -1.180 113.348 114.554 -0.043 0.000 2.909 410 T HA 0.695 5.045 4.350 0.002 0.000 0.299 410 T C -0.418 174.147 174.700 -0.225 0.000 1.073 410 T CA -0.972 61.031 62.100 -0.161 0.000 0.999 410 T CB 1.334 70.054 68.868 -0.246 0.000 1.098 410 T HN 0.298 nan 8.240 nan 0.000 0.477 411 F N 0.613 120.321 119.950 -0.404 0.000 2.577 411 F HA 0.830 5.358 4.527 0.002 0.000 0.318 411 F C -1.857 173.664 175.800 -0.465 0.000 1.065 411 F CA -1.725 56.019 58.000 -0.427 0.000 0.929 411 F CB 1.251 40.115 39.000 -0.226 0.000 1.237 411 F HN 0.599 nan 8.300 nan 0.000 0.468 412 Y N 1.186 121.545 120.300 0.098 0.000 2.341 412 Y HA 0.514 5.065 4.550 0.001 0.000 0.338 412 Y C -0.466 175.441 175.900 0.010 0.000 0.965 412 Y CA -1.075 57.033 58.100 0.013 0.000 1.108 412 Y CB 2.058 40.529 38.460 0.018 0.000 1.180 412 Y HN 0.473 nan 8.280 nan 0.000 0.458 413 K N 3.855 124.315 120.400 0.100 0.000 2.263 413 K HA 0.256 4.576 4.320 0.002 0.000 0.272 413 K C -0.389 176.330 176.600 0.199 0.000 1.033 413 K CA -0.665 55.577 56.287 -0.074 0.000 0.884 413 K CB 0.939 33.172 32.500 -0.446 0.000 1.107 413 K HN 0.555 nan 8.250 nan 0.000 0.460 414 Q N 2.486 122.406 119.800 0.201 0.000 2.317 414 Q HA 0.098 4.439 4.340 0.002 0.000 0.229 414 Q C -1.733 174.519 176.000 0.420 0.000 0.984 414 Q CA -1.819 54.138 55.803 0.257 0.000 0.911 414 Q CB 0.595 29.417 28.738 0.141 0.000 1.217 414 Q HN 0.283 nan 8.270 nan 0.000 0.501 415 P HA -0.223 nan 4.420 nan 0.000 0.216 415 P C 1.284 178.806 177.300 0.370 0.000 1.157 415 P CA 1.751 65.133 63.100 0.469 0.000 0.880 415 P CB 0.046 31.962 31.700 0.360 0.000 0.791 416 M N -2.703 116.938 119.600 0.069 0.000 2.128 416 M HA -0.264 4.217 4.480 0.002 0.000 0.253 416 M C 2.029 178.336 176.300 0.012 0.000 1.079 416 M CA 2.037 57.239 55.300 -0.163 0.000 1.082 416 M CB -1.033 31.285 32.600 -0.470 0.000 1.335 416 M HN -0.060 nan 8.290 nan 0.000 0.401 417 F N -0.151 119.792 119.950 -0.012 0.000 2.134 417 F HA -0.256 4.272 4.527 0.001 0.000 0.299 417 F C 1.851 177.585 175.800 -0.110 0.000 1.097 417 F CA 1.604 59.553 58.000 -0.086 0.000 1.264 417 F CB -0.321 38.524 39.000 -0.258 0.000 1.001 417 F HN 0.019 nan 8.300 nan 0.000 0.479 418 Y N -0.656 119.856 120.300 0.354 0.000 2.263 418 Y HA -0.158 4.393 4.550 0.002 0.000 0.292 418 Y C 2.744 178.793 175.900 0.248 0.000 1.130 418 Y CA 1.610 59.890 58.100 0.299 0.000 1.179 418 Y CB -1.059 37.658 38.460 0.429 0.000 0.998 418 Y HN 0.147 nan 8.280 nan 0.000 0.532 419 H N -0.342 118.899 119.070 0.285 0.000 2.387 419 H HA -0.166 4.391 4.556 0.002 0.000 0.299 419 H C 2.268 177.782 175.328 0.309 0.000 1.099 419 H CA 1.750 57.934 56.048 0.226 0.000 1.315 419 H CB -0.294 29.515 29.762 0.078 0.000 1.380 419 H HN 0.349 nan 8.280 nan 0.000 0.513 420 L N -0.149 121.236 121.223 0.271 0.000 2.056 420 L HA -0.089 4.252 4.340 0.002 0.000 0.207 420 L C 2.797 179.686 176.870 0.032 0.000 1.078 420 L CA 1.116 56.065 54.840 0.181 0.000 0.749 420 L CB -0.447 41.679 42.059 0.113 0.000 0.901 420 L HN 0.281 nan 8.230 nan 0.000 0.433 421 G N -2.252 106.466 108.800 -0.136 0.000 2.471 421 G HA2 -0.221 3.740 3.960 0.002 0.000 0.219 421 G HA3 -0.221 3.740 3.960 0.002 0.000 0.219 421 G C 1.343 176.128 174.900 -0.193 0.000 1.125 421 G CA 0.148 45.085 45.100 -0.272 0.000 0.775 421 G HN 0.417 nan 8.290 nan 0.000 0.548 422 H N -0.762 118.273 119.070 -0.058 0.000 2.489 422 H HA -0.019 4.538 4.556 0.002 0.000 0.293 422 H C 1.757 176.890 175.328 -0.324 0.000 1.066 422 H CA 1.142 57.124 56.048 -0.109 0.000 1.305 422 H CB 0.142 29.775 29.762 -0.215 0.000 1.386 422 H HN 0.484 nan 8.280 nan 0.000 0.551 423 F N -0.320 119.548 119.950 -0.137 0.000 2.390 423 F HA -0.058 4.470 4.527 0.002 0.000 0.281 423 F C 2.841 178.152 175.800 -0.814 0.000 1.016 423 F CA 0.682 58.420 58.000 -0.437 0.000 1.286 423 F CB -0.552 38.053 39.000 -0.658 0.000 1.134 423 F HN -0.003 nan 8.300 nan 0.000 0.597 424 S N 0.342 115.545 115.700 -0.829 0.000 2.402 424 S HA -0.206 4.265 4.470 0.002 0.000 0.229 424 S C 1.949 176.272 174.600 -0.462 0.000 1.021 424 S CA 1.262 58.981 58.200 -0.801 0.000 0.974 424 S CB -0.553 62.440 63.200 -0.346 0.000 0.800 424 S HN 0.365 nan 8.310 nan 0.000 0.484 425 K N 0.181 120.204 120.400 -0.629 0.000 2.155 425 K HA 0.066 4.387 4.320 0.002 0.000 0.203 425 K C 0.480 176.468 176.600 -1.020 0.000 1.052 425 K CA 1.198 56.901 56.287 -0.975 0.000 0.948 425 K CB -0.114 31.463 32.500 -1.538 0.000 0.728 425 K HN 0.569 nan 8.250 nan 0.000 0.448 426 F N -0.278 119.527 119.950 -0.242 0.000 2.706 426 F HA 0.312 4.840 4.527 0.002 0.000 0.313 426 F C 0.052 175.805 175.800 -0.079 0.000 1.096 426 F CA -0.542 57.376 58.000 -0.136 0.000 1.219 426 F CB 0.767 39.670 39.000 -0.162 0.000 1.051 426 F HN -0.192 nan 8.300 nan 0.000 0.568 427 I N 3.566 124.132 120.570 -0.007 0.000 2.620 427 I HA 0.251 4.422 4.170 0.002 0.000 0.280 427 I C -2.372 173.770 176.117 0.042 0.000 1.143 427 I CA -2.025 59.308 61.300 0.056 0.000 1.163 427 I CB 0.255 38.422 38.000 0.278 0.000 1.461 427 I HN -0.222 nan 8.210 nan 0.000 0.530 428 P HA -0.026 nan 4.420 nan 0.000 0.270 428 P C -0.033 177.257 177.300 -0.017 0.000 1.223 428 P CA -0.123 62.922 63.100 -0.091 0.000 0.785 428 P CB 0.727 32.312 31.700 -0.192 0.000 0.923 429 E N 0.452 120.656 120.200 0.005 0.000 2.529 429 E HA 0.154 4.505 4.350 0.002 0.000 0.259 429 E C 1.147 177.745 176.600 -0.004 0.000 0.966 429 E CA 1.007 57.407 56.400 0.000 0.000 0.937 429 E CB -0.718 28.965 29.700 -0.029 0.000 0.923 429 E HN 0.778 nan 8.360 nan 0.000 0.468 430 G N 3.011 111.820 108.800 0.015 0.000 2.195 430 G HA2 -0.291 3.669 3.960 0.002 0.000 0.246 430 G HA3 -0.291 3.669 3.960 0.002 0.000 0.246 430 G C 0.286 175.207 174.900 0.036 0.000 0.984 430 G CA 0.155 45.270 45.100 0.025 0.000 0.633 430 G HN 0.615 nan 8.290 nan 0.000 0.525 431 S N 0.488 116.206 115.700 0.030 0.000 2.558 431 S HA 0.367 4.838 4.470 0.002 0.000 0.293 431 S C 0.295 174.952 174.600 0.095 0.000 1.292 431 S CA 0.583 58.817 58.200 0.057 0.000 1.063 431 S CB 1.313 64.547 63.200 0.056 0.000 0.831 431 S HN 0.662 nan 8.310 nan 0.000 0.499 432 Q N 2.177 122.038 119.800 0.100 0.000 2.312 432 Q HA 0.344 4.685 4.340 0.002 0.000 0.263 432 Q C -0.335 175.748 176.000 0.139 0.000 0.995 432 Q CA -0.831 55.039 55.803 0.112 0.000 0.853 432 Q CB 0.988 29.774 28.738 0.081 0.000 1.300 432 Q HN 0.577 nan 8.270 nan 0.000 0.448 433 R N 2.446 123.058 120.500 0.186 0.000 2.491 433 R HA 0.299 4.640 4.340 0.002 0.000 0.283 433 R C -0.563 175.928 176.300 0.319 0.000 1.072 433 R CA 0.081 56.320 56.100 0.231 0.000 1.048 433 R CB 0.498 30.933 30.300 0.224 0.000 0.983 433 R HN 0.531 nan 8.270 nan 0.000 0.450 434 V N 0.543 120.629 119.914 0.286 0.000 3.141 434 V HA 0.699 4.820 4.120 0.002 0.000 0.312 434 V C 0.247 176.546 176.094 0.341 0.000 1.157 434 V CA -0.866 61.587 62.300 0.255 0.000 1.041 434 V CB 1.467 33.343 31.823 0.089 0.000 1.071 434 V HN 0.830 nan 8.190 nan 0.000 0.441 435 G N 0.738 109.714 108.800 0.292 0.000 2.380 435 G HA2 0.471 4.432 3.960 0.002 0.000 0.242 435 G HA3 0.471 4.432 3.960 0.002 0.000 0.242 435 G C -0.954 174.036 174.900 0.150 0.000 1.298 435 G CA 0.107 45.367 45.100 0.268 0.000 0.878 435 G HN 1.230 nan 8.290 nan 0.000 0.542 436 L N 3.573 124.868 121.223 0.119 0.000 2.504 436 L HA 0.478 4.819 4.340 0.002 0.000 0.265 436 L C -0.698 176.210 176.870 0.062 0.000 0.975 436 L CA -0.562 54.328 54.840 0.083 0.000 0.864 436 L CB 2.106 44.212 42.059 0.079 0.000 1.212 436 L HN 0.316 nan 8.230 nan 0.000 0.416 437 V N 4.239 124.187 119.914 0.056 0.000 2.435 437 V HA 0.847 4.968 4.120 0.002 0.000 0.290 437 V C 0.510 176.628 176.094 0.040 0.000 1.030 437 V CA -0.317 62.012 62.300 0.048 0.000 0.881 437 V CB 1.469 33.323 31.823 0.051 0.000 0.983 437 V HN 0.893 nan 8.190 nan 0.000 0.445 438 A N 3.246 126.088 122.820 0.036 0.000 2.306 438 A HA 0.584 4.905 4.320 0.002 0.000 0.314 438 A C 1.079 178.685 177.584 0.037 0.000 1.164 438 A CA 0.152 52.209 52.037 0.034 0.000 0.822 438 A CB 1.000 20.017 19.000 0.029 0.000 1.130 438 A HN 1.074 nan 8.150 nan 0.000 0.496 439 S N 0.813 116.537 115.700 0.041 0.000 2.501 439 S HA 0.132 4.603 4.470 0.002 0.000 0.220 439 S C 0.488 175.108 174.600 0.034 0.000 0.997 439 S CA 0.605 58.831 58.200 0.044 0.000 0.919 439 S CB -0.350 62.885 63.200 0.059 0.000 0.778 439 S HN 0.937 nan 8.310 nan 0.000 0.523 440 Q N -0.367 119.451 119.800 0.029 0.000 2.522 440 Q HA 0.450 4.791 4.340 0.002 0.000 0.285 440 Q C -1.460 174.553 176.000 0.021 0.000 0.982 440 Q CA -1.145 54.671 55.803 0.022 0.000 0.805 440 Q CB 1.017 29.766 28.738 0.018 0.000 1.457 440 Q HN 0.027 nan 8.270 nan 0.000 0.394 441 K N 1.105 121.516 120.400 0.018 0.000 2.527 441 K HA 0.053 4.374 4.320 0.002 0.000 0.278 441 K C -0.736 175.872 176.600 0.014 0.000 0.981 441 K CA 1.039 57.337 56.287 0.018 0.000 1.009 441 K CB 0.226 32.736 32.500 0.016 0.000 0.895 441 K HN 0.839 nan 8.250 nan 0.000 0.493 442 N N 0.363 119.071 118.700 0.014 0.000 3.106 442 N HA 0.199 4.940 4.740 0.002 0.000 0.253 442 N C -1.192 174.322 175.510 0.006 0.000 1.506 442 N CA -0.775 52.280 53.050 0.008 0.000 0.876 442 N CB 0.970 39.464 38.487 0.010 0.000 1.452 442 N HN 0.280 nan 8.380 nan 0.000 0.542 443 D N -0.452 119.946 120.400 -0.003 0.000 2.433 443 D HA 0.226 4.867 4.640 0.002 0.000 0.211 443 D C -0.045 176.250 176.300 -0.008 0.000 1.114 443 D CA 0.059 54.053 54.000 -0.010 0.000 0.837 443 D CB 0.489 41.273 40.800 -0.027 0.000 0.984 443 D HN 0.356 nan 8.370 nan 0.000 0.505 444 L N 1.356 122.582 121.223 0.005 0.000 2.436 444 L HA 0.204 4.545 4.340 0.002 0.000 0.265 444 L C 0.341 177.239 176.870 0.046 0.000 1.168 444 L CA -0.046 54.805 54.840 0.018 0.000 0.815 444 L CB 0.683 42.754 42.059 0.019 0.000 1.109 444 L HN -0.271 nan 8.230 nan 0.000 0.462 445 D N 2.052 122.497 120.400 0.075 0.000 2.233 445 D HA 0.593 5.234 4.640 0.002 0.000 0.240 445 D C -0.502 175.873 176.300 0.124 0.000 1.074 445 D CA -0.028 54.046 54.000 0.122 0.000 0.838 445 D CB 2.162 43.083 40.800 0.201 0.000 1.124 445 D HN 0.599 nan 8.370 nan 0.000 0.475 446 A N 1.676 124.562 122.820 0.110 0.000 2.486 446 A HA 0.682 5.003 4.320 0.002 0.000 0.300 446 A C -1.332 176.313 177.584 0.101 0.000 1.048 446 A CA -0.757 51.344 52.037 0.108 0.000 0.696 446 A CB 2.161 21.210 19.000 0.081 0.000 1.278 446 A HN 0.354 nan 8.150 nan 0.000 0.405 447 V N 0.572 120.558 119.914 0.120 0.000 3.012 447 V HA 0.860 4.981 4.120 0.002 0.000 0.307 447 V C -0.643 175.516 176.094 0.109 0.000 1.166 447 V CA 0.213 62.580 62.300 0.111 0.000 0.974 447 V CB 1.965 33.881 31.823 0.155 0.000 1.040 447 V HN 2.117 nan 8.190 nan 0.000 0.428 448 A N 5.682 128.560 122.820 0.096 0.000 2.374 448 A HA 1.022 5.343 4.320 0.002 0.000 0.317 448 A C -1.629 176.005 177.584 0.084 0.000 1.094 448 A CA -0.595 51.485 52.037 0.071 0.000 0.765 448 A CB 1.678 20.720 19.000 0.071 0.000 1.268 448 A HN 0.948 nan 8.150 nan 0.000 0.438 449 L N 0.605 121.855 121.223 0.045 0.000 2.469 449 L HA 0.629 4.970 4.340 0.002 0.000 0.256 449 L C -0.431 176.458 176.870 0.032 0.000 1.006 449 L CA -0.143 54.748 54.840 0.085 0.000 0.832 449 L CB 2.290 44.437 42.059 0.147 0.000 1.421 449 L HN 0.826 nan 8.230 nan 0.000 0.410 450 M N 1.193 120.830 119.600 0.062 0.000 2.167 450 M HA 0.438 4.918 4.480 0.002 0.000 0.333 450 M C -0.440 175.942 176.300 0.137 0.000 1.030 450 M CA -0.256 55.063 55.300 0.032 0.000 0.963 450 M CB 0.888 33.493 32.600 0.008 0.000 1.589 450 M HN 0.540 nan 8.290 nan 0.000 0.431 451 H N 4.495 123.526 119.070 -0.065 0.000 2.895 451 H HA 0.014 4.570 4.556 0.002 0.000 0.371 451 H C -1.723 173.592 175.328 -0.022 0.000 1.219 451 H CA -1.091 54.934 56.048 -0.038 0.000 1.431 451 H CB 0.194 29.919 29.762 -0.063 0.000 1.414 451 H HN 0.527 nan 8.280 nan 0.000 0.617 452 P HA -0.182 nan 4.420 nan 0.000 0.218 452 P C 0.686 178.014 177.300 0.047 0.000 1.146 452 P CA 1.607 64.739 63.100 0.052 0.000 0.813 452 P CB 0.044 31.761 31.700 0.028 0.000 0.778 453 D N -2.304 118.132 120.400 0.060 0.000 2.328 453 D HA 0.120 4.761 4.640 0.002 0.000 0.226 453 D C 1.339 177.631 176.300 -0.014 0.000 1.066 453 D CA 0.437 54.447 54.000 0.017 0.000 0.861 453 D CB -0.963 39.840 40.800 0.006 0.000 0.912 453 D HN 0.190 nan 8.370 nan 0.000 0.521 454 G N 0.014 108.813 108.800 -0.001 0.000 2.157 454 G HA2 -0.274 3.686 3.960 0.002 0.000 0.248 454 G HA3 -0.274 3.686 3.960 0.002 0.000 0.248 454 G C 0.379 175.231 174.900 -0.081 0.000 0.979 454 G CA 0.420 45.502 45.100 -0.029 0.000 0.650 454 G HN 0.842 nan 8.290 nan 0.000 0.529 455 S N -0.389 115.232 115.700 -0.132 0.000 2.652 455 S HA 0.847 5.318 4.470 0.002 0.000 0.270 455 S C 0.345 174.671 174.600 -0.457 0.000 1.243 455 S CA 0.395 58.441 58.200 -0.256 0.000 0.999 455 S CB 2.202 65.261 63.200 -0.236 0.000 0.973 455 S HN 1.881 nan 8.310 nan 0.000 0.544 456 A N 0.723 123.109 122.820 -0.723 0.000 2.312 456 A HA 0.737 5.058 4.320 0.002 0.000 0.326 456 A C -0.508 176.486 177.584 -0.983 0.000 1.172 456 A CA -0.838 50.623 52.037 -0.959 0.000 0.821 456 A CB 1.057 19.119 19.000 -1.563 0.000 1.166 456 A HN 1.449 nan 8.150 nan 0.000 0.493 457 V N 3.525 123.068 119.914 -0.618 0.000 2.577 457 V HA 0.686 4.807 4.120 0.002 0.000 0.303 457 V C -1.285 174.683 176.094 -0.210 0.000 1.042 457 V CA -0.364 61.708 62.300 -0.381 0.000 0.872 457 V CB 1.746 33.499 31.823 -0.117 0.000 0.998 457 V HN 0.760 nan 8.190 nan 0.000 0.423 458 V N 6.878 126.745 119.914 -0.079 0.000 2.531 458 V HA 0.534 4.654 4.120 0.002 0.000 0.301 458 V C -0.381 175.789 176.094 0.127 0.000 1.034 458 V CA -0.564 61.785 62.300 0.082 0.000 0.865 458 V CB 2.151 34.093 31.823 0.197 0.000 0.995 458 V HN 0.729 nan 8.190 nan 0.000 0.424 459 V N 5.574 125.524 119.914 0.061 0.000 2.394 459 V HA 0.513 4.634 4.120 0.002 0.000 0.282 459 V C -0.235 175.918 176.094 0.100 0.000 1.031 459 V CA -0.545 61.748 62.300 -0.010 0.000 0.881 459 V CB 1.767 33.399 31.823 -0.318 0.000 0.982 459 V HN 0.596 nan 8.190 nan 0.000 0.451 460 V N 6.186 126.185 119.914 0.143 0.000 2.407 460 V HA 0.439 4.560 4.120 0.002 0.000 0.291 460 V C -0.430 175.708 176.094 0.073 0.000 1.018 460 V CA -0.541 61.838 62.300 0.132 0.000 0.842 460 V CB 1.545 33.475 31.823 0.178 0.000 0.996 460 V HN 0.682 nan 8.190 nan 0.000 0.426 461 L N 4.663 125.940 121.223 0.089 0.000 2.295 461 L HA 0.647 4.988 4.340 0.002 0.000 0.285 461 L C -0.200 176.709 176.870 0.064 0.000 1.035 461 L CA 0.179 55.077 54.840 0.096 0.000 0.806 461 L CB 1.433 43.595 42.059 0.171 0.000 1.214 461 L HN 0.622 nan 8.230 nan 0.000 0.426 462 N N 3.836 122.570 118.700 0.056 0.000 2.558 462 N HA 0.333 5.074 4.740 0.002 0.000 0.242 462 N C 0.225 175.764 175.510 0.049 0.000 0.979 462 N CA -0.238 52.819 53.050 0.011 0.000 0.931 462 N CB 0.809 39.266 38.487 -0.049 0.000 1.122 462 N HN 0.656 nan 8.380 nan 0.000 0.508 463 R N 0.439 120.950 120.500 0.018 0.000 2.297 463 R HA 0.074 4.415 4.340 0.002 0.000 0.197 463 R C 0.803 177.063 176.300 -0.067 0.000 0.943 463 R CA 0.023 56.162 56.100 0.065 0.000 1.038 463 R CB 0.162 30.470 30.300 0.012 0.000 0.957 463 R HN 0.541 nan 8.270 nan 0.000 0.484 464 S N -0.267 115.303 115.700 -0.217 0.000 2.681 464 S HA 0.070 4.541 4.470 0.002 0.000 0.270 464 S C 1.278 175.396 174.600 -0.803 0.000 1.209 464 S CA -0.295 57.704 58.200 -0.335 0.000 0.988 464 S CB 1.707 64.798 63.200 -0.182 0.000 1.006 464 S HN 0.156 nan 8.310 nan 0.000 0.558 465 S N -0.055 115.284 115.700 -0.602 0.000 2.528 465 S HA 0.231 4.701 4.470 0.002 0.000 0.219 465 S C 0.156 174.607 174.600 -0.248 0.000 0.985 465 S CA -0.154 57.718 58.200 -0.546 0.000 0.914 465 S CB -0.479 62.698 63.200 -0.039 0.000 0.776 465 S HN 0.684 nan 8.310 nan 0.000 0.526 466 K N 1.988 122.271 120.400 -0.196 0.000 2.138 466 K HA 0.429 4.750 4.320 0.002 0.000 0.263 466 K C -1.365 175.176 176.600 -0.098 0.000 0.965 466 K CA -0.705 55.521 56.287 -0.103 0.000 0.868 466 K CB 0.780 33.238 32.500 -0.069 0.000 1.083 466 K HN 0.046 nan 8.250 nan 0.000 0.443 467 D N 1.476 121.841 120.400 -0.059 0.000 2.425 467 D HA 0.070 4.711 4.640 0.002 0.000 0.247 467 D C -0.604 175.675 176.300 -0.035 0.000 1.147 467 D CA -0.012 53.963 54.000 -0.042 0.000 0.879 467 D CB 0.752 41.543 40.800 -0.016 0.000 1.179 467 D HN 0.011 nan 8.370 nan 0.000 0.456 468 V N 4.281 124.174 119.914 -0.034 0.000 2.350 468 V HA 0.303 4.424 4.120 0.002 0.000 0.285 468 V C -2.228 173.861 176.094 -0.009 0.000 1.014 468 V CA -1.883 60.403 62.300 -0.023 0.000 0.831 468 V CB 1.509 33.315 31.823 -0.028 0.000 1.000 468 V HN 0.386 nan 8.190 nan 0.000 0.433 469 P HA 0.323 nan 4.420 nan 0.000 0.268 469 P C -0.891 176.410 177.300 0.003 0.000 1.204 469 P CA -0.096 63.008 63.100 0.006 0.000 0.768 469 P CB 0.766 32.470 31.700 0.007 0.000 0.842 470 L N 3.273 124.494 121.223 -0.004 0.000 2.493 470 L HA 0.542 4.883 4.340 0.002 0.000 0.265 470 L C -0.998 175.838 176.870 -0.056 0.000 0.954 470 L CA -0.016 54.809 54.840 -0.025 0.000 0.844 470 L CB 2.027 44.062 42.059 -0.040 0.000 1.302 470 L HN 0.250 nan 8.230 nan 0.000 0.405 471 T N 5.500 120.026 114.554 -0.046 0.000 2.855 471 T HA 0.709 5.060 4.350 0.002 0.000 0.281 471 T C -0.290 174.322 174.700 -0.146 0.000 1.007 471 T CA -0.260 61.779 62.100 -0.100 0.000 1.009 471 T CB 1.348 70.167 68.868 -0.082 0.000 0.983 471 T HN 0.468 nan 8.240 nan 0.000 0.455 472 I N 2.232 122.654 120.570 -0.248 0.000 2.389 472 I HA 0.433 4.604 4.170 0.002 0.000 0.288 472 I C 0.065 175.989 176.117 -0.322 0.000 0.999 472 I CA -0.879 60.260 61.300 -0.268 0.000 1.129 472 I CB 1.649 39.425 38.000 -0.372 0.000 1.288 472 I HN 0.340 nan 8.210 nan 0.000 0.444 473 K N 4.931 125.169 120.400 -0.269 0.000 2.183 473 K HA 0.245 4.566 4.320 0.002 0.000 0.274 473 K C -1.131 175.293 176.600 -0.295 0.000 1.009 473 K CA -0.474 55.542 56.287 -0.452 0.000 0.888 473 K CB 1.286 33.500 32.500 -0.477 0.000 1.078 473 K HN 0.506 nan 8.250 nan 0.000 0.459 474 D N 5.880 126.069 120.400 -0.351 0.000 2.441 474 D HA 0.233 4.874 4.640 0.002 0.000 0.231 474 D C -1.913 174.264 176.300 -0.204 0.000 1.073 474 D CA -2.435 51.483 54.000 -0.136 0.000 0.850 474 D CB 1.891 42.688 40.800 -0.004 0.000 1.062 474 D HN 0.255 nan 8.370 nan 0.000 0.524 475 P HA -0.200 nan 4.420 nan 0.000 0.218 475 P C 0.823 178.068 177.300 -0.091 0.000 1.152 475 P CA 1.632 64.657 63.100 -0.124 0.000 0.857 475 P CB 0.329 31.996 31.700 -0.054 0.000 0.787 476 A N -1.997 120.797 122.820 -0.044 0.000 2.072 476 A HA 0.029 4.350 4.320 0.002 0.000 0.216 476 A C 1.932 179.505 177.584 -0.019 0.000 1.156 476 A CA 1.352 53.383 52.037 -0.010 0.000 0.701 476 A CB -0.506 18.515 19.000 0.035 0.000 0.816 476 A HN 0.111 nan 8.150 nan 0.000 0.458 477 V N -2.904 116.970 119.914 -0.066 0.000 3.159 477 V HA 0.523 4.644 4.120 0.002 0.000 0.234 477 V C 1.198 177.197 176.094 -0.157 0.000 1.313 477 V CA 0.643 62.896 62.300 -0.078 0.000 1.271 477 V CB -0.201 31.589 31.823 -0.055 0.000 1.053 477 V HN 0.993 nan 8.190 nan 0.000 0.476 478 G N 0.407 109.025 108.800 -0.303 0.000 2.236 478 G HA2 0.052 4.013 3.960 0.002 0.000 0.231 478 G HA3 0.052 4.013 3.960 0.002 0.000 0.231 478 G C -1.535 172.995 174.900 -0.615 0.000 1.334 478 G CA -0.607 44.242 45.100 -0.418 0.000 1.137 478 G HN 0.084 nan 8.290 nan 0.000 0.482 479 F N 0.624 120.441 119.950 -0.223 0.000 2.444 479 F HA 0.693 5.221 4.527 0.002 0.000 0.342 479 F C 0.457 176.084 175.800 -0.289 0.000 1.121 479 F CA -0.611 57.213 58.000 -0.293 0.000 0.997 479 F CB 2.056 40.874 39.000 -0.303 0.000 1.130 479 F HN 0.395 nan 8.300 nan 0.000 0.454 480 L N 4.651 125.722 121.223 -0.254 0.000 2.264 480 L HA 0.408 4.749 4.340 0.002 0.000 0.287 480 L C -0.474 176.232 176.870 -0.273 0.000 1.039 480 L CA -0.490 54.138 54.840 -0.354 0.000 0.829 480 L CB 0.258 41.867 42.059 -0.750 0.000 1.211 480 L HN 0.498 nan 8.230 nan 0.000 0.427 481 E N 3.376 123.504 120.200 -0.120 0.000 2.229 481 E HA 0.329 4.680 4.350 0.002 0.000 0.283 481 E C -0.365 176.206 176.600 -0.048 0.000 1.030 481 E CA 0.038 56.399 56.400 -0.065 0.000 0.836 481 E CB 1.852 31.552 29.700 0.002 0.000 1.068 481 E HN 0.532 nan 8.360 nan 0.000 0.401 482 T N 1.862 116.387 114.554 -0.047 0.000 2.731 482 T HA 0.684 5.035 4.350 0.002 0.000 0.300 482 T C -1.396 173.337 174.700 0.053 0.000 1.283 482 T CA -0.538 61.574 62.100 0.020 0.000 1.005 482 T CB 0.854 69.713 68.868 -0.015 0.000 1.420 482 T HN 0.321 nan 8.240 nan 0.000 0.503 483 I N 1.606 122.249 120.570 0.122 0.000 2.534 483 I HA 0.424 4.595 4.170 0.002 0.000 0.288 483 I C -0.318 175.864 176.117 0.109 0.000 1.077 483 I CA -0.731 60.622 61.300 0.089 0.000 1.051 483 I CB 2.265 40.313 38.000 0.079 0.000 1.234 483 I HN 0.454 nan 8.210 nan 0.000 0.425 484 S N 7.239 122.941 115.700 0.004 0.000 2.409 484 S HA 0.452 4.923 4.470 0.002 0.000 0.308 484 S C -2.361 172.178 174.600 -0.102 0.000 1.080 484 S CA -1.438 56.680 58.200 -0.138 0.000 1.081 484 S CB 0.247 63.379 63.200 -0.112 0.000 1.009 484 S HN 0.213 nan 8.310 nan 0.000 0.502 485 P HA 0.162 nan 4.420 nan 0.000 0.270 485 P C 0.260 177.520 177.300 -0.067 0.000 1.223 485 P CA -0.154 62.922 63.100 -0.040 0.000 0.785 485 P CB 0.305 32.012 31.700 0.012 0.000 0.923 486 G N 0.798 109.550 108.800 -0.079 0.000 2.432 486 G HA2 0.101 4.062 3.960 0.002 0.000 0.239 486 G HA3 0.101 4.062 3.960 0.002 0.000 0.239 486 G C -0.785 174.060 174.900 -0.091 0.000 1.291 486 G CA -0.225 44.752 45.100 -0.204 0.000 0.863 486 G HN 0.571 nan 8.290 nan 0.000 0.560 487 Y N -0.294 120.060 120.300 0.090 0.000 3.027 487 Y HA -0.229 4.322 4.550 0.002 0.000 0.195 487 Y C 1.141 177.161 175.900 0.199 0.000 1.381 487 Y CA 0.659 58.883 58.100 0.208 0.000 1.015 487 Y CB -1.943 36.511 38.460 -0.010 0.000 1.329 487 Y HN 0.920 nan 8.280 nan 0.000 0.462 488 S N -0.046 115.857 115.700 0.338 0.000 2.595 488 S HA 0.879 5.350 4.470 0.002 0.000 0.281 488 S C -0.850 173.879 174.600 0.215 0.000 1.117 488 S CA -0.908 57.450 58.200 0.264 0.000 0.873 488 S CB 3.121 66.335 63.200 0.023 0.000 1.108 488 S HN 0.483 nan 8.310 nan 0.000 0.477 489 I N 1.437 122.079 120.570 0.120 0.000 2.533 489 I HA 0.500 4.671 4.170 0.002 0.000 0.290 489 I C -1.358 174.722 176.117 -0.061 0.000 1.056 489 I CA -0.605 60.624 61.300 -0.119 0.000 1.057 489 I CB 1.603 39.360 38.000 -0.405 0.000 1.240 489 I HN 0.896 nan 8.210 nan 0.000 0.423 490 H N 4.709 123.712 119.070 -0.112 0.000 2.469 490 H HA 0.427 4.984 4.556 0.002 0.000 0.342 490 H C -0.863 174.431 175.328 -0.057 0.000 1.115 490 H CA -0.901 55.105 56.048 -0.070 0.000 1.204 490 H CB 2.039 31.765 29.762 -0.061 0.000 1.492 490 H HN 0.432 nan 8.280 nan 0.000 0.499 491 T N 3.574 118.142 114.554 0.024 0.000 2.770 491 T HA 0.223 4.574 4.350 0.002 0.000 0.283 491 T C -0.807 173.684 174.700 -0.349 0.000 0.988 491 T CA -0.641 61.364 62.100 -0.158 0.000 0.957 491 T CB 0.247 68.913 68.868 -0.337 0.000 0.930 491 T HN 0.309 nan 8.240 nan 0.000 0.443 492 Y N 2.466 122.769 120.300 0.005 0.000 2.342 492 Y HA 0.661 5.212 4.550 0.002 0.000 0.334 492 Y C -0.114 175.799 175.900 0.022 0.000 1.067 492 Y CA -1.184 56.986 58.100 0.116 0.000 1.128 492 Y CB 1.038 39.647 38.460 0.248 0.000 1.200 492 Y HN 0.417 nan 8.280 nan 0.000 0.464 493 L N 3.499 124.868 121.223 0.243 0.000 2.436 493 L HA 0.553 4.894 4.340 0.002 0.000 0.268 493 L C -1.440 175.541 176.870 0.185 0.000 0.974 493 L CA -0.448 54.345 54.840 -0.078 0.000 0.826 493 L CB 1.546 43.410 42.059 -0.324 0.000 1.291 493 L HN 0.774 nan 8.230 nan 0.000 0.406 494 W N 1.166 122.412 121.300 -0.089 0.000 3.296 494 W HA 0.578 5.239 4.660 0.002 0.000 0.314 494 W C -1.116 175.421 176.519 0.029 0.000 1.238 494 W CA -0.766 56.563 57.345 -0.027 0.000 1.193 494 W CB 0.334 29.828 29.460 0.057 0.000 1.383 494 W HN 0.312 nan 8.180 nan 0.000 0.545 495 H N 2.147 121.321 119.070 0.173 0.000 2.790 495 H HA 0.320 4.877 4.556 0.002 0.000 0.358 495 H C 0.902 176.369 175.328 0.231 0.000 1.103 495 H CA -0.203 55.908 56.048 0.104 0.000 1.426 495 H CB 1.216 31.041 29.762 0.105 0.000 1.424 495 H HN 0.548 nan 8.280 nan 0.000 0.599 496 R N 0.845 121.496 120.500 0.252 0.000 2.335 496 R HA 0.168 4.509 4.340 0.002 0.000 0.210 496 R C 0.282 176.665 176.300 0.139 0.000 0.892 496 R CA 0.110 56.344 56.100 0.222 0.000 1.048 496 R CB 0.906 31.287 30.300 0.135 0.000 1.067 496 R HN 0.590 nan 8.270 nan 0.000 0.524 497 Q N 0.000 119.868 119.800 0.113 0.000 2.315 497 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 497 Q CA 0.000 55.847 55.803 0.074 0.000 1.022 497 Q CB 0.000 28.754 28.738 0.027 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481