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 1y7v_1_B 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 0.000 177.563 177.584 -0.036 0.000 1.274 1 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 1 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 2 R N 0.656 121.107 120.500 -0.081 0.000 2.515 2 R HA 0.485 4.825 4.340 -0.000 0.000 0.278 2 R C -3.215 173.045 176.300 -0.067 0.000 1.107 2 R CA -1.506 54.541 56.100 -0.089 0.000 0.945 2 R CB 2.796 32.907 30.300 -0.316 0.000 1.219 2 R HN 0.247 nan 8.270 nan 0.000 0.434 3 P HA 0.135 nan 4.420 nan 0.000 0.282 3 P C -0.208 177.152 177.300 0.100 0.000 1.287 3 P CA -0.626 62.495 63.100 0.035 0.000 0.792 3 P CB 0.820 32.542 31.700 0.037 0.000 1.163 4 c N 1.853 120.474 118.600 0.035 0.000 2.629 4 c HA 0.272 4.842 4.570 -0.000 0.000 0.410 4 c C 0.578 174.701 174.090 0.054 0.000 1.339 4 c CA -0.616 55.742 56.329 0.049 0.000 1.810 4 c CB -2.062 40.427 42.510 -0.034 0.000 2.549 4 c HN 0.237 nan 8.230 nan 0.000 0.589 5 I N 9.823 130.437 120.570 0.074 0.000 2.278 5 I HA 0.273 4.443 4.170 -0.000 0.000 0.296 5 I C -1.378 174.741 176.117 0.004 0.000 1.121 5 I CA -2.391 58.895 61.300 -0.023 0.000 1.267 5 I CB 0.221 38.154 38.000 -0.111 0.000 1.447 5 I HN 0.608 nan 8.210 nan 0.000 0.509 6 P HA 0.248 nan 4.420 nan 0.000 0.272 6 P C -0.674 176.622 177.300 -0.006 0.000 1.240 6 P CA -0.509 62.596 63.100 0.007 0.000 0.791 6 P CB 1.567 33.260 31.700 -0.012 0.000 0.978 7 K N 0.155 120.562 120.400 0.010 0.000 2.575 7 K HA 0.376 4.696 4.320 -0.000 0.000 0.255 7 K C -1.318 175.252 176.600 -0.050 0.000 0.953 7 K CA -0.487 55.759 56.287 -0.068 0.000 0.840 7 K CB 1.443 33.898 32.500 -0.075 0.000 1.303 7 K HN 0.385 nan 8.250 nan 0.000 0.438 8 S N 3.216 118.828 115.700 -0.146 0.000 2.565 8 S HA 0.573 5.043 4.470 -0.000 0.000 0.290 8 S C -0.519 173.953 174.600 -0.212 0.000 1.150 8 S CA -0.486 57.674 58.200 -0.066 0.000 1.058 8 S CB 0.409 63.568 63.200 -0.068 0.000 1.032 8 S HN 0.540 nan 8.310 nan 0.000 0.510 9 F N 2.098 122.008 119.950 -0.066 0.000 2.735 9 F HA 0.404 4.930 4.527 -0.000 0.000 0.308 9 F C 1.534 177.179 175.800 -0.259 0.000 1.112 9 F CA 0.152 58.091 58.000 -0.102 0.000 1.235 9 F CB 0.906 39.891 39.000 -0.025 0.000 1.027 9 F HN 0.909 nan 8.300 nan 0.000 0.528 10 G N -0.475 108.243 108.800 -0.138 0.000 2.144 10 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 10 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 10 G C -0.258 174.337 174.900 -0.508 0.000 0.988 10 G CA -0.417 44.475 45.100 -0.346 0.000 0.659 10 G HN 0.341 nan 8.290 nan 0.000 0.522 11 Y N 0.039 120.381 120.300 0.071 0.000 2.650 11 Y HA 0.501 5.051 4.550 -0.000 0.000 0.331 11 Y C 2.042 177.973 175.900 0.053 0.000 1.082 11 Y CA -0.200 57.936 58.100 0.061 0.000 1.171 11 Y CB 1.077 39.579 38.460 0.070 0.000 1.326 11 Y HN 0.228 nan 8.280 nan 0.000 0.513 12 S N -0.928 114.908 115.700 0.226 0.000 2.428 12 S HA -0.176 4.294 4.470 -0.000 0.000 0.240 12 S C 0.767 175.420 174.600 0.088 0.000 1.036 12 S CA 1.516 59.784 58.200 0.113 0.000 1.009 12 S CB -0.318 62.940 63.200 0.096 0.000 0.803 12 S HN 0.506 nan 8.310 nan 0.000 0.486 13 S N -0.851 114.956 115.700 0.179 0.000 2.794 13 S HA 0.682 5.152 4.470 -0.000 0.000 0.299 13 S C -0.654 174.050 174.600 0.174 0.000 1.179 13 S CA -0.348 57.937 58.200 0.142 0.000 0.838 13 S CB 1.287 64.631 63.200 0.239 0.000 1.206 13 S HN 0.777 nan 8.310 nan 0.000 0.523 14 V N 0.668 120.669 119.914 0.144 0.000 2.966 14 V HA 0.954 5.074 4.120 -0.000 0.000 0.317 14 V C 0.178 176.393 176.094 0.201 0.000 1.070 14 V CA -0.402 61.987 62.300 0.148 0.000 1.008 14 V CB 0.950 32.818 31.823 0.075 0.000 1.070 14 V HN 0.920 nan 8.190 nan 0.000 0.457 15 V N -1.127 118.913 119.914 0.209 0.000 3.093 15 V HA 0.726 4.845 4.120 -0.000 0.000 0.320 15 V C -0.112 176.109 176.094 0.211 0.000 1.093 15 V CA -0.621 61.818 62.300 0.232 0.000 1.016 15 V CB 1.425 33.366 31.823 0.197 0.000 1.096 15 V HN 1.090 nan 8.190 nan 0.000 0.452 16 c N 2.000 120.742 118.600 0.237 0.000 2.298 16 c HA 0.660 5.230 4.570 -0.000 0.000 0.323 16 c C 0.268 174.456 174.090 0.164 0.000 1.284 16 c CA -0.670 55.761 56.329 0.170 0.000 1.577 16 c CB 0.196 42.807 42.510 0.168 0.000 2.249 16 c HN 0.754 nan 8.230 nan 0.000 0.497 17 V N 3.031 123.036 119.914 0.152 0.000 2.555 17 V HA 0.278 4.398 4.120 -0.000 0.000 0.286 17 V C 0.394 176.422 176.094 -0.109 0.000 1.044 17 V CA 0.093 62.459 62.300 0.110 0.000 1.026 17 V CB 0.410 32.314 31.823 0.136 0.000 0.981 17 V HN 1.049 nan 8.190 nan 0.000 0.480 18 c N 5.048 123.391 118.600 -0.429 0.000 2.802 18 c HA 0.825 5.395 4.570 -0.000 0.000 0.307 18 c C 0.144 173.802 174.090 -0.720 0.000 1.222 18 c CA -0.645 55.261 56.329 -0.704 0.000 1.580 18 c CB 1.671 43.275 42.510 -1.509 0.000 2.119 18 c HN 1.150 nan 8.230 nan 0.000 0.479 19 N N 0.136 118.588 118.700 -0.414 0.000 3.506 19 N HA 0.551 5.291 4.740 -0.000 0.000 0.331 19 N C 0.308 175.792 175.510 -0.043 0.000 1.631 19 N CA -0.067 52.866 53.050 -0.194 0.000 0.786 19 N CB 0.187 38.615 38.487 -0.098 0.000 2.023 19 N HN 0.489 nan 8.380 nan 0.000 0.621 20 A N -1.023 121.805 122.820 0.013 0.000 1.972 20 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 20 A C 1.587 179.195 177.584 0.040 0.000 1.169 20 A CA 2.467 54.531 52.037 0.044 0.000 0.635 20 A CB -1.372 17.648 19.000 0.034 0.000 0.810 20 A HN 0.875 nan 8.150 nan 0.000 0.446 21 T N -5.959 108.619 114.554 0.041 0.000 3.010 21 T HA 0.386 4.736 4.350 -0.000 0.000 0.257 21 T C -0.063 174.698 174.700 0.102 0.000 1.020 21 T CA 0.006 62.140 62.100 0.057 0.000 0.938 21 T CB -0.159 68.741 68.868 0.053 0.000 1.049 21 T HN 0.365 nan 8.240 nan 0.000 0.522 22 Y N -0.293 119.966 120.300 -0.068 0.000 2.519 22 Y HA 0.552 5.102 4.550 -0.000 0.000 0.336 22 Y C -1.796 174.020 175.900 -0.139 0.000 1.089 22 Y CA -1.467 56.583 58.100 -0.084 0.000 1.025 22 Y CB 1.962 40.372 38.460 -0.083 0.000 1.318 22 Y HN 0.246 nan 8.280 nan 0.000 0.452 23 c N 6.182 124.405 118.600 -0.628 0.000 3.146 23 c HA 0.272 4.841 4.570 -0.000 0.000 0.405 23 c C -1.618 172.154 174.090 -0.529 0.000 1.012 23 c CA -0.947 55.142 56.329 -0.401 0.000 1.217 23 c CB 0.393 42.786 42.510 -0.195 0.000 1.599 23 c HN 0.913 nan 8.230 nan 0.000 0.567 24 D N 3.553 123.780 120.400 -0.288 0.000 2.493 24 D HA 0.332 4.972 4.640 -0.000 0.000 0.240 24 D C 0.044 176.197 176.300 -0.246 0.000 1.142 24 D CA 0.515 54.374 54.000 -0.234 0.000 0.872 24 D CB 1.027 41.781 40.800 -0.077 0.000 1.173 24 D HN 0.780 nan 8.370 nan 0.000 0.467 25 S N 0.719 116.252 115.700 -0.278 0.000 2.651 25 S HA 0.707 5.177 4.470 -0.000 0.000 0.279 25 S C -0.863 173.567 174.600 -0.282 0.000 1.148 25 S CA -1.011 57.054 58.200 -0.225 0.000 0.837 25 S CB 1.089 64.224 63.200 -0.109 0.000 1.138 25 S HN 0.349 nan 8.310 nan 0.000 0.478 26 F N 0.909 120.882 119.950 0.039 0.000 2.457 26 F HA 0.533 5.060 4.527 -0.000 0.000 0.330 26 F C 0.886 176.712 175.800 0.042 0.000 1.069 26 F CA -0.636 57.403 58.000 0.065 0.000 1.009 26 F CB 0.839 39.883 39.000 0.073 0.000 1.276 26 F HN 0.520 nan 8.300 nan 0.000 0.492 27 D N 0.509 121.070 120.400 0.269 0.000 2.388 27 D HA 0.293 4.933 4.640 -0.000 0.000 0.254 27 D C -2.325 174.059 176.300 0.140 0.000 1.111 27 D CA -1.181 52.911 54.000 0.153 0.000 0.993 27 D CB 0.565 41.438 40.800 0.122 0.000 1.118 27 D HN 0.091 nan 8.370 nan 0.000 0.502 28 P HA 0.137 nan 4.420 nan 0.000 0.267 28 P C -2.424 174.905 177.300 0.049 0.000 1.200 28 P CA -0.575 62.559 63.100 0.055 0.000 0.772 28 P CB -0.202 31.524 31.700 0.042 0.000 0.855 29 P HA 0.087 nan 4.420 nan 0.000 0.264 29 P C -0.602 176.682 177.300 -0.028 0.000 1.193 29 P CA 0.597 63.673 63.100 -0.040 0.000 0.763 29 P CB 0.357 31.967 31.700 -0.150 0.000 0.810 30 T N 3.655 118.218 114.554 0.014 0.000 2.841 30 T HA 0.450 4.799 4.350 -0.000 0.000 0.283 30 T C -0.728 174.065 174.700 0.155 0.000 1.000 30 T CA -0.243 61.904 62.100 0.080 0.000 0.977 30 T CB 0.494 69.421 68.868 0.098 0.000 0.979 30 T HN 0.149 nan 8.240 nan 0.000 0.446 31 F N 5.375 125.420 119.950 0.158 0.000 2.332 31 F HA 0.325 4.852 4.527 -0.000 0.000 0.368 31 F C -1.426 174.466 175.800 0.154 0.000 1.110 31 F CA -2.403 55.751 58.000 0.256 0.000 1.087 31 F CB 1.386 40.614 39.000 0.381 0.000 1.235 31 F HN 0.357 nan 8.300 nan 0.000 0.470 32 P HA 0.061 nan 4.420 nan 0.000 0.268 32 P C -0.660 176.562 177.300 -0.130 0.000 1.208 32 P CA -0.283 62.883 63.100 0.109 0.000 0.777 32 P CB 0.973 32.757 31.700 0.141 0.000 0.875 33 A N 3.112 125.844 122.820 -0.146 0.000 2.366 33 A HA 0.222 4.542 4.320 -0.000 0.000 0.249 33 A C 0.446 177.928 177.584 -0.170 0.000 1.084 33 A CA -0.670 51.226 52.037 -0.236 0.000 0.794 33 A CB -0.206 18.721 19.000 -0.122 0.000 1.034 33 A HN 0.736 nan 8.150 nan 0.000 0.491 34 L N 1.012 122.136 121.223 -0.164 0.000 2.525 34 L HA 0.361 4.701 4.340 -0.000 0.000 0.278 34 L C 1.324 178.197 176.870 0.006 0.000 1.218 34 L CA 1.684 56.513 54.840 -0.018 0.000 0.878 34 L CB 0.343 42.407 42.059 0.009 0.000 1.127 34 L HN 1.342 nan 8.230 nan 0.000 0.492 35 G N 1.859 110.684 108.800 0.041 0.000 2.259 35 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 35 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 35 G C 0.207 175.121 174.900 0.024 0.000 1.001 35 G CA 0.141 45.254 45.100 0.021 0.000 0.627 35 G HN 0.919 nan 8.290 nan 0.000 0.501 36 T N -0.535 114.036 114.554 0.029 0.000 2.932 36 T HA 0.797 5.147 4.350 -0.000 0.000 0.289 36 T C -0.367 174.409 174.700 0.126 0.000 1.039 36 T CA -0.284 61.809 62.100 -0.012 0.000 1.024 36 T CB 2.340 71.163 68.868 -0.076 0.000 1.090 36 T HN 1.479 nan 8.240 nan 0.000 0.496 37 F N -0.830 119.176 119.950 0.094 0.000 2.577 37 F HA 0.863 5.390 4.527 -0.000 0.000 0.318 37 F C -0.557 175.344 175.800 0.168 0.000 1.065 37 F CA -1.265 56.856 58.000 0.202 0.000 0.929 37 F CB 1.435 40.538 39.000 0.171 0.000 1.237 37 F HN 0.569 nan 8.300 nan 0.000 0.468 38 S N 1.872 117.840 115.700 0.447 0.000 2.565 38 S HA 0.654 5.124 4.470 -0.000 0.000 0.290 38 S C -0.930 173.833 174.600 0.272 0.000 1.150 38 S CA -0.845 57.473 58.200 0.196 0.000 1.058 38 S CB 1.352 64.647 63.200 0.157 0.000 1.032 38 S HN 0.782 nan 8.310 nan 0.000 0.510 39 R N 1.981 122.464 120.500 -0.029 0.000 2.574 39 R HA 0.393 4.733 4.340 -0.000 0.000 0.288 39 R C -2.119 173.934 176.300 -0.412 0.000 1.004 39 R CA -0.453 55.494 56.100 -0.255 0.000 0.895 39 R CB 0.895 31.072 30.300 -0.205 0.000 1.191 39 R HN 0.644 nan 8.270 nan 0.000 0.444 40 Y N 1.888 122.013 120.300 -0.293 0.000 2.335 40 Y HA 0.300 4.850 4.550 -0.000 0.000 0.338 40 Y C -0.035 175.880 175.900 0.024 0.000 0.977 40 Y CA -0.443 57.593 58.100 -0.106 0.000 1.114 40 Y CB 1.883 40.267 38.460 -0.126 0.000 1.182 40 Y HN 0.545 nan 8.280 nan 0.000 0.463 41 E N 1.968 122.260 120.200 0.153 0.000 2.222 41 E HA 0.665 5.014 4.350 -0.000 0.000 0.267 41 E C -1.396 175.400 176.600 0.327 0.000 0.884 41 E CA -0.573 55.938 56.400 0.185 0.000 0.764 41 E CB 1.264 30.890 29.700 -0.124 0.000 1.169 41 E HN 0.566 nan 8.360 nan 0.000 0.413 42 S N 1.961 117.898 115.700 0.395 0.000 2.557 42 S HA 0.553 5.023 4.470 -0.000 0.000 0.291 42 S C -0.932 173.868 174.600 0.333 0.000 1.116 42 S CA -0.732 57.696 58.200 0.380 0.000 0.992 42 S CB 1.764 65.284 63.200 0.533 0.000 1.028 42 S HN 0.654 nan 8.310 nan 0.000 0.484 43 T N -0.766 113.857 114.554 0.114 0.000 2.896 43 T HA 0.491 4.840 4.350 -0.000 0.000 0.297 43 T C 0.681 174.850 174.700 -0.885 0.000 1.108 43 T CA -0.959 61.021 62.100 -0.199 0.000 1.004 43 T CB 1.654 70.468 68.868 -0.090 0.000 1.159 43 T HN 0.436 nan 8.240 nan 0.000 0.499 44 R N 0.736 120.407 120.500 -1.383 0.000 2.189 44 R HA -0.080 4.259 4.340 -0.000 0.000 0.223 44 R C 2.049 177.983 176.300 -0.611 0.000 1.092 44 R CA 1.760 56.923 56.100 -1.562 0.000 0.989 44 R CB -0.569 28.904 30.300 -1.379 0.000 0.876 44 R HN 0.811 nan 8.270 nan 0.000 0.457 45 S N -1.787 113.684 115.700 -0.381 0.000 2.481 45 S HA 0.059 4.529 4.470 -0.000 0.000 0.231 45 S C 1.335 175.846 174.600 -0.148 0.000 0.996 45 S CA 0.890 58.974 58.200 -0.193 0.000 0.942 45 S CB 0.532 63.664 63.200 -0.114 0.000 0.768 45 S HN 0.519 nan 8.310 nan 0.000 0.520 46 G N 0.457 109.156 108.800 -0.168 0.000 2.672 46 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.197 46 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.197 46 G C 0.029 174.888 174.900 -0.068 0.000 0.995 46 G CA -0.720 44.324 45.100 -0.093 0.000 0.754 46 G HN 0.453 nan 8.290 nan 0.000 0.505 47 R N 0.904 121.371 120.500 -0.056 0.000 2.537 47 R HA 0.544 4.884 4.340 -0.000 0.000 0.280 47 R C -0.196 176.112 176.300 0.013 0.000 1.058 47 R CA 0.098 56.194 56.100 -0.008 0.000 1.057 47 R CB 0.400 30.717 30.300 0.028 0.000 0.973 47 R HN -0.003 nan 8.270 nan 0.000 0.438 48 R N 4.117 124.606 120.500 -0.017 0.000 2.467 48 R HA 0.169 4.509 4.340 -0.000 0.000 0.299 48 R C -0.188 176.171 176.300 0.098 0.000 1.120 48 R CA -0.525 55.520 56.100 -0.093 0.000 0.940 48 R CB 1.235 31.265 30.300 -0.450 0.000 1.161 48 R HN 0.802 nan 8.270 nan 0.000 0.506 49 M N 0.915 120.699 119.600 0.307 0.000 2.175 49 M HA -0.257 4.222 4.480 -0.000 0.000 0.192 49 M C -0.526 176.045 176.300 0.452 0.000 0.473 49 M CA 1.315 56.890 55.300 0.459 0.000 0.414 49 M CB -1.298 31.676 32.600 0.622 0.000 1.069 49 M HN 0.419 nan 8.290 nan 0.000 0.933 50 E N 0.874 121.209 120.200 0.226 0.000 2.338 50 E HA 0.401 4.751 4.350 -0.000 0.000 0.272 50 E C -0.303 176.267 176.600 -0.050 0.000 1.029 50 E CA -0.672 55.784 56.400 0.094 0.000 0.872 50 E CB 1.164 30.881 29.700 0.027 0.000 1.015 50 E HN 0.289 nan 8.360 nan 0.000 0.417 51 L N 2.761 123.893 121.223 -0.151 0.000 2.292 51 L HA 0.358 4.697 4.340 -0.000 0.000 0.284 51 L C -0.584 176.125 176.870 -0.268 0.000 1.065 51 L CA 0.177 54.749 54.840 -0.446 0.000 0.806 51 L CB 1.059 42.871 42.059 -0.412 0.000 1.175 51 L HN 0.571 nan 8.230 nan 0.000 0.431 52 S N 4.521 120.045 115.700 -0.293 0.000 2.579 52 S HA 0.893 5.363 4.470 -0.000 0.000 0.272 52 S C -0.672 173.801 174.600 -0.212 0.000 1.141 52 S CA -0.814 57.273 58.200 -0.188 0.000 0.843 52 S CB 1.710 64.833 63.200 -0.128 0.000 1.122 52 S HN 0.916 nan 8.310 nan 0.000 0.468 53 M N 0.593 120.045 119.600 -0.247 0.000 2.691 53 M HA 1.028 5.508 4.480 -0.000 0.000 0.293 53 M C -0.269 175.644 176.300 -0.645 0.000 1.259 53 M CA -0.135 54.900 55.300 -0.442 0.000 0.827 53 M CB 1.386 33.806 32.600 -0.300 0.000 1.753 53 M HN 1.146 nan 8.290 nan 0.000 0.465 54 G N -0.363 107.692 108.800 -1.242 0.000 2.645 54 G HA2 0.795 4.755 3.960 -0.000 0.000 0.292 54 G HA3 0.795 4.755 3.960 -0.000 0.000 0.292 54 G C -3.453 171.047 174.900 -0.668 0.000 1.415 54 G CA -1.289 43.246 45.100 -0.941 0.000 0.785 54 G HN 0.687 nan 8.290 nan 0.000 0.483 55 P HA 0.576 nan 4.420 nan 0.000 0.287 55 P C -0.769 176.636 177.300 0.175 0.000 1.279 55 P CA -0.638 62.463 63.100 0.001 0.000 0.867 55 P CB 2.228 33.931 31.700 0.004 0.000 1.127 56 I N 2.068 122.702 120.570 0.107 0.000 2.321 56 I HA 0.204 4.374 4.170 -0.000 0.000 0.291 56 I C 0.953 177.107 176.117 0.062 0.000 0.998 56 I CA -0.796 60.543 61.300 0.066 0.000 1.227 56 I CB 0.979 38.952 38.000 -0.045 0.000 1.368 56 I HN 0.150 nan 8.210 nan 0.000 0.466 57 Q N 4.261 124.114 119.800 0.090 0.000 2.394 57 Q HA 0.232 4.572 4.340 -0.000 0.000 0.248 57 Q C 0.822 176.905 176.000 0.138 0.000 0.992 57 Q CA -0.146 55.709 55.803 0.087 0.000 0.888 57 Q CB 1.205 29.982 28.738 0.064 0.000 1.257 57 Q HN 0.841 nan 8.270 nan 0.000 0.462 58 A N 2.529 125.401 122.820 0.087 0.000 2.030 58 A HA 0.024 4.343 4.320 -0.000 0.000 0.215 58 A C 0.364 178.018 177.584 0.115 0.000 1.164 58 A CA 0.722 52.826 52.037 0.112 0.000 0.697 58 A CB 0.155 19.189 19.000 0.056 0.000 0.827 58 A HN 0.733 nan 8.150 nan 0.000 0.457 59 N N -1.740 116.930 118.700 -0.049 0.000 2.629 59 N HA 0.530 5.270 4.740 -0.000 0.000 0.279 59 N C -1.061 174.088 175.510 -0.601 0.000 1.344 59 N CA -0.568 52.314 53.050 -0.279 0.000 0.789 59 N CB 1.234 39.620 38.487 -0.169 0.000 1.508 59 N HN 0.317 nan 8.380 nan 0.000 0.516 60 H N -0.454 118.060 119.070 -0.928 0.000 3.154 60 H HA 0.220 4.775 4.556 -0.000 0.000 0.330 60 H C -1.615 173.451 175.328 -0.436 0.000 1.033 60 H CA -0.375 55.190 56.048 -0.806 0.000 1.393 60 H CB 0.992 29.936 29.762 -1.363 0.000 1.951 60 H HN 0.479 nan 8.280 nan 0.000 0.466 61 T N 4.541 118.562 114.554 -0.888 0.000 2.739 61 T HA 0.281 4.631 4.350 -0.000 0.000 0.298 61 T C 1.053 175.228 174.700 -0.875 0.000 0.929 61 T CA 0.203 61.916 62.100 -0.646 0.000 1.014 61 T CB 0.672 69.330 68.868 -0.350 0.000 0.914 61 T HN 0.635 nan 8.240 nan 0.000 0.509 62 G N 1.174 109.619 108.800 -0.591 0.000 2.489 62 G HA2 0.461 4.420 3.960 -0.000 0.000 0.271 62 G HA3 0.461 4.420 3.960 -0.000 0.000 0.271 62 G C 0.648 175.507 174.900 -0.068 0.000 1.427 62 G CA 0.338 45.312 45.100 -0.211 0.000 1.057 62 G HN 0.695 nan 8.290 nan 0.000 0.532 63 T N -3.420 111.153 114.554 0.033 0.000 5.436 63 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 63 T C 1.029 175.758 174.700 0.047 0.000 2.214 63 T CA 1.290 63.404 62.100 0.025 0.000 3.797 63 T CB -1.690 67.177 68.868 -0.002 0.000 0.324 63 T HN 1.492 nan 8.240 nan 0.000 0.427 64 G N 1.053 109.898 108.800 0.075 0.000 2.563 64 G HA2 0.554 4.514 3.960 -0.000 0.000 0.283 64 G HA3 0.554 4.514 3.960 -0.000 0.000 0.283 64 G C -0.212 174.727 174.900 0.065 0.000 1.309 64 G CA -0.299 44.841 45.100 0.066 0.000 1.022 64 G HN 0.632 nan 8.290 nan 0.000 0.501 65 L N -0.499 120.745 121.223 0.036 0.000 2.499 65 L HA 0.471 4.811 4.340 -0.000 0.000 0.273 65 L C -0.352 176.519 176.870 0.002 0.000 1.195 65 L CA 0.012 54.863 54.840 0.018 0.000 0.882 65 L CB 0.644 42.705 42.059 0.003 0.000 1.133 65 L HN 0.369 nan 8.230 nan 0.000 0.483 66 L N 6.045 127.267 121.223 -0.001 0.000 2.409 66 L HA 0.571 4.911 4.340 -0.000 0.000 0.272 66 L C -1.599 175.245 176.870 -0.042 0.000 0.980 66 L CA -0.334 54.487 54.840 -0.032 0.000 0.826 66 L CB 1.632 43.698 42.059 0.013 0.000 1.268 66 L HN 0.553 nan 8.230 nan 0.000 0.407 67 L N 4.904 126.079 121.223 -0.080 0.000 2.294 67 L HA 0.504 4.844 4.340 -0.000 0.000 0.283 67 L C -0.416 176.402 176.870 -0.085 0.000 1.015 67 L CA -0.460 54.341 54.840 -0.064 0.000 0.831 67 L CB 1.550 43.573 42.059 -0.061 0.000 1.217 67 L HN 0.600 nan 8.230 nan 0.000 0.420 68 T N 3.988 118.506 114.554 -0.059 0.000 2.749 68 T HA 0.364 4.714 4.350 -0.000 0.000 0.287 68 T C -0.116 174.568 174.700 -0.026 0.000 0.970 68 T CA -0.387 61.670 62.100 -0.073 0.000 0.980 68 T CB 1.631 70.462 68.868 -0.062 0.000 0.924 68 T HN 0.256 nan 8.240 nan 0.000 0.456 69 L N 3.910 125.125 121.223 -0.014 0.000 2.416 69 L HA 0.234 4.574 4.340 -0.000 0.000 0.272 69 L C 0.279 177.163 176.870 0.024 0.000 1.161 69 L CA 0.460 55.322 54.840 0.037 0.000 0.845 69 L CB 0.479 42.596 42.059 0.097 0.000 1.119 69 L HN 0.635 nan 8.230 nan 0.000 0.464 70 Q N 6.560 126.384 119.800 0.039 0.000 2.851 70 Q HA 0.225 4.564 4.340 -0.000 0.000 0.331 70 Q C -1.697 174.319 176.000 0.026 0.000 0.979 70 Q CA -1.554 54.266 55.803 0.028 0.000 0.955 70 Q CB 0.700 29.461 28.738 0.037 0.000 1.298 70 Q HN 0.570 nan 8.270 nan 0.000 0.432 71 P HA -0.252 nan 4.420 nan 0.000 0.219 71 P C 0.534 177.829 177.300 -0.008 0.000 1.151 71 P CA 1.465 64.571 63.100 0.010 0.000 0.850 71 P CB 0.495 32.201 31.700 0.010 0.000 0.784 72 E N -0.733 119.457 120.200 -0.017 0.000 2.435 72 E HA 0.013 4.363 4.350 -0.000 0.000 0.195 72 E C 1.045 177.598 176.600 -0.079 0.000 1.029 72 E CA 0.381 56.759 56.400 -0.037 0.000 0.865 72 E CB -0.237 29.447 29.700 -0.027 0.000 0.833 72 E HN 0.497 nan 8.360 nan 0.000 0.510 73 Q N 1.897 121.643 119.800 -0.090 0.000 2.472 73 Q HA 0.086 4.426 4.340 -0.000 0.000 0.227 73 Q C -0.414 175.377 176.000 -0.348 0.000 1.156 73 Q CA -0.060 55.615 55.803 -0.214 0.000 0.924 73 Q CB 0.582 29.254 28.738 -0.111 0.000 1.354 73 Q HN -0.151 nan 8.270 nan 0.000 0.525 74 K N 2.394 122.564 120.400 -0.383 0.000 2.144 74 K HA 0.432 4.752 4.320 -0.000 0.000 0.270 74 K C -0.208 176.063 176.600 -0.548 0.000 1.005 74 K CA 0.014 56.124 56.287 -0.295 0.000 0.932 74 K CB 0.843 33.264 32.500 -0.130 0.000 1.021 74 K HN 0.258 nan 8.250 nan 0.000 0.462 75 F N -0.205 119.763 119.950 0.029 0.000 3.208 75 F HA 0.153 4.680 4.527 -0.000 0.000 0.286 75 F C 0.825 176.660 175.800 0.059 0.000 1.532 75 F CA -0.814 57.210 58.000 0.041 0.000 1.004 75 F CB 0.088 39.086 39.000 -0.003 0.000 1.777 75 F HN 0.332 nan 8.300 nan 0.000 0.384 76 Q N 2.270 122.257 119.800 0.311 0.000 2.394 76 Q HA 0.228 4.568 4.340 -0.000 0.000 0.248 76 Q C -1.358 174.732 176.000 0.151 0.000 0.992 76 Q CA -0.066 55.855 55.803 0.197 0.000 0.888 76 Q CB 0.973 29.813 28.738 0.171 0.000 1.257 76 Q HN 0.495 nan 8.270 nan 0.000 0.462 77 K N 1.323 121.798 120.400 0.124 0.000 2.156 77 K HA 0.362 4.681 4.320 -0.000 0.000 0.271 77 K C -0.689 175.963 176.600 0.086 0.000 0.995 77 K CA -0.746 55.601 56.287 0.100 0.000 0.890 77 K CB 1.762 34.313 32.500 0.086 0.000 1.073 77 K HN 0.436 nan 8.250 nan 0.000 0.454 78 V N 4.133 124.091 119.914 0.073 0.000 2.508 78 V HA -0.030 4.090 4.120 -0.000 0.000 0.281 78 V C 1.306 177.396 176.094 -0.007 0.000 1.041 78 V CA 0.084 62.406 62.300 0.036 0.000 1.016 78 V CB 0.981 32.853 31.823 0.080 0.000 0.984 78 V HN 0.738 nan 8.190 nan 0.000 0.478 79 K N 3.961 124.336 120.400 -0.042 0.000 2.021 79 K HA 0.288 4.608 4.320 -0.000 0.000 0.205 79 K C 0.686 177.176 176.600 -0.184 0.000 1.047 79 K CA 1.535 57.758 56.287 -0.107 0.000 0.943 79 K CB -0.178 32.290 32.500 -0.054 0.000 0.725 79 K HN 0.972 nan 8.250 nan 0.000 0.439 80 G N -2.082 106.567 108.800 -0.253 0.000 2.317 80 G HA2 0.372 4.331 3.960 -0.000 0.000 0.293 80 G HA3 0.372 4.331 3.960 -0.000 0.000 0.293 80 G C -1.623 172.904 174.900 -0.622 0.000 1.287 80 G CA -0.918 44.023 45.100 -0.264 0.000 0.850 80 G HN 0.007 nan 8.290 nan 0.000 0.515 81 F N -0.313 119.577 119.950 -0.100 0.000 2.588 81 F HA 0.864 5.391 4.527 -0.000 0.000 0.310 81 F C 0.768 176.301 175.800 -0.446 0.000 1.082 81 F CA 0.469 58.356 58.000 -0.188 0.000 0.929 81 F CB 2.578 41.486 39.000 -0.153 0.000 1.254 81 F HN 1.098 nan 8.300 nan 0.000 0.455 82 G N -0.039 108.476 108.800 -0.475 0.000 2.494 82 G HA2 0.615 4.575 3.960 -0.000 0.000 0.308 82 G HA3 0.615 4.575 3.960 -0.000 0.000 0.308 82 G C -1.399 173.153 174.900 -0.581 0.000 1.263 82 G CA -0.117 44.450 45.100 -0.889 0.000 0.840 82 G HN 1.026 nan 8.290 nan 0.000 0.479 83 G N -1.704 106.950 108.800 -0.243 0.000 2.682 83 G HA2 0.778 4.737 3.960 -0.000 0.000 0.290 83 G HA3 0.778 4.737 3.960 -0.000 0.000 0.290 83 G C -0.988 173.972 174.900 0.099 0.000 1.425 83 G CA 0.433 45.531 45.100 -0.003 0.000 0.807 83 G HN 1.682 nan 8.290 nan 0.000 0.482 84 A N -0.132 122.772 122.820 0.140 0.000 2.290 84 A HA 0.630 4.950 4.320 -0.000 0.000 0.310 84 A C -0.051 177.549 177.584 0.026 0.000 1.202 84 A CA -0.540 51.593 52.037 0.160 0.000 0.837 84 A CB 1.148 20.352 19.000 0.339 0.000 1.139 84 A HN 0.755 nan 8.150 nan 0.000 0.509 85 M N 3.980 123.627 119.600 0.077 0.000 3.347 85 M HA 0.216 4.696 4.480 -0.000 0.000 0.260 85 M C 0.611 176.915 176.300 0.007 0.000 1.362 85 M CA -0.188 55.139 55.300 0.045 0.000 1.497 85 M CB -0.717 31.941 32.600 0.095 0.000 1.080 85 M HN 0.776 nan 8.290 nan 0.000 0.592 86 T N -1.554 112.922 114.554 -0.131 0.000 2.788 86 T HA 0.281 4.631 4.350 -0.000 0.000 0.280 86 T C 0.848 175.500 174.700 -0.081 0.000 0.984 86 T CA -0.614 61.379 62.100 -0.178 0.000 0.972 86 T CB 0.721 69.312 68.868 -0.461 0.000 1.039 86 T HN 0.453 nan 8.240 nan 0.000 0.530 87 D N 0.767 121.145 120.400 -0.037 0.000 2.104 87 D HA -0.085 4.555 4.640 -0.000 0.000 0.194 87 D C 2.396 178.700 176.300 0.006 0.000 0.994 87 D CA 1.818 55.830 54.000 0.020 0.000 0.830 87 D CB -0.892 39.947 40.800 0.065 0.000 0.959 87 D HN 0.737 nan 8.370 nan 0.000 0.452 88 A N 1.106 123.929 122.820 0.005 0.000 1.883 88 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 88 A C 2.332 179.895 177.584 -0.034 0.000 1.186 88 A CA 2.728 54.783 52.037 0.030 0.000 0.624 88 A CB -0.884 18.196 19.000 0.133 0.000 0.822 88 A HN 0.260 nan 8.150 nan 0.000 0.444 89 A N -0.242 122.514 122.820 -0.106 0.000 1.858 89 A HA 0.152 4.472 4.320 -0.000 0.000 0.216 89 A C 2.566 180.128 177.584 -0.037 0.000 1.190 89 A CA 2.362 54.347 52.037 -0.087 0.000 0.617 89 A CB -1.248 17.682 19.000 -0.117 0.000 0.827 89 A HN 1.206 nan 8.150 nan 0.000 0.443 90 A N -0.657 122.149 122.820 -0.023 0.000 1.940 90 A HA -0.094 4.225 4.320 -0.000 0.000 0.219 90 A C 2.143 179.722 177.584 -0.008 0.000 1.176 90 A CA 1.666 53.699 52.037 -0.007 0.000 0.631 90 A CB -0.535 18.470 19.000 0.008 0.000 0.814 90 A HN 0.450 nan 8.150 nan 0.000 0.446 91 L N 0.284 121.504 121.223 -0.004 0.000 1.994 91 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 91 L C 2.091 178.958 176.870 -0.005 0.000 1.071 91 L CA 2.065 56.905 54.840 0.001 0.000 0.745 91 L CB -1.417 40.650 42.059 0.014 0.000 0.892 91 L HN 0.443 nan 8.230 nan 0.000 0.431 92 N N 0.107 118.802 118.700 -0.009 0.000 2.120 92 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 92 N C 1.883 177.374 175.510 -0.031 0.000 1.024 92 N CA 1.471 54.511 53.050 -0.016 0.000 0.852 92 N CB -0.144 38.331 38.487 -0.020 0.000 1.003 92 N HN 0.400 nan 8.380 nan 0.000 0.424 93 I N 1.180 121.725 120.570 -0.041 0.000 2.179 93 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 93 I C 1.849 177.942 176.117 -0.041 0.000 1.088 93 I CA 0.992 62.255 61.300 -0.061 0.000 1.357 93 I CB -0.269 37.702 38.000 -0.049 0.000 1.051 93 I HN 0.032 nan 8.210 nan 0.000 0.409 94 L N 0.607 121.817 121.223 -0.023 0.000 2.622 94 L HA -0.007 4.333 4.340 -0.000 0.000 0.233 94 L C 2.185 179.050 176.870 -0.008 0.000 1.156 94 L CA 0.149 54.981 54.840 -0.014 0.000 0.866 94 L CB -0.387 41.666 42.059 -0.010 0.000 0.980 94 L HN 0.201 nan 8.230 nan 0.000 0.448 95 A N -0.474 122.341 122.820 -0.009 0.000 2.275 95 A HA 0.322 4.642 4.320 -0.000 0.000 0.212 95 A C 0.757 178.343 177.584 0.003 0.000 1.201 95 A CA -0.039 51.997 52.037 -0.002 0.000 0.843 95 A CB -0.010 18.990 19.000 -0.000 0.000 0.873 95 A HN 0.243 nan 8.150 nan 0.000 0.492 96 L N 0.216 121.440 121.223 0.002 0.000 2.358 96 L HA 0.382 4.722 4.340 -0.000 0.000 0.268 96 L C 0.924 177.806 176.870 0.020 0.000 1.032 96 L CA -0.738 54.114 54.840 0.020 0.000 0.805 96 L CB 1.651 43.731 42.059 0.034 0.000 1.253 96 L HN 0.276 nan 8.230 nan 0.000 0.452 97 S N 0.225 115.943 115.700 0.030 0.000 2.572 97 S HA 0.147 4.617 4.470 -0.000 0.000 0.279 97 S C -1.938 172.678 174.600 0.027 0.000 1.341 97 S CA -0.878 57.337 58.200 0.025 0.000 1.043 97 S CB 0.811 64.027 63.200 0.027 0.000 0.887 97 S HN 0.411 nan 8.310 nan 0.000 0.516 98 P HA -0.114 nan 4.420 nan 0.000 0.217 98 P C -1.538 175.778 177.300 0.027 0.000 1.158 98 P CA 1.679 64.789 63.100 0.017 0.000 0.887 98 P CB -1.071 30.636 31.700 0.013 0.000 0.792 99 P HA -0.115 nan 4.420 nan 0.000 0.216 99 P C 1.431 178.777 177.300 0.077 0.000 1.153 99 P CA 1.893 65.020 63.100 0.045 0.000 0.848 99 P CB -0.619 31.105 31.700 0.038 0.000 0.787 100 A N -0.396 122.485 122.820 0.101 0.000 1.902 100 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 100 A C 2.265 179.939 177.584 0.151 0.000 1.181 100 A CA 1.559 53.723 52.037 0.212 0.000 0.623 100 A CB -1.363 17.766 19.000 0.215 0.000 0.818 100 A HN 0.153 nan 8.150 nan 0.000 0.443 101 Q N -0.206 119.619 119.800 0.042 0.000 2.014 101 Q HA -0.215 4.125 4.340 -0.000 0.000 0.207 101 Q C 1.899 177.883 176.000 -0.026 0.000 0.993 101 Q CA 1.758 57.543 55.803 -0.031 0.000 0.850 101 Q CB -0.271 28.459 28.738 -0.013 0.000 0.916 101 Q HN 0.663 nan 8.270 nan 0.000 0.417 102 N N 0.369 119.080 118.700 0.019 0.000 2.223 102 N HA -0.124 4.616 4.740 -0.000 0.000 0.185 102 N C 1.829 177.370 175.510 0.050 0.000 1.016 102 N CA 0.933 54.002 53.050 0.030 0.000 0.863 102 N CB -0.164 38.343 38.487 0.033 0.000 0.983 102 N HN 0.248 nan 8.380 nan 0.000 0.429 103 L N 0.640 121.918 121.223 0.091 0.000 2.141 103 L HA -0.081 4.258 4.340 -0.000 0.000 0.209 103 L C 2.390 179.341 176.870 0.136 0.000 1.094 103 L CA 0.570 55.502 54.840 0.152 0.000 0.763 103 L CB -0.282 41.925 42.059 0.246 0.000 0.908 103 L HN 0.145 nan 8.230 nan 0.000 0.437 104 L N -0.449 120.713 121.223 -0.102 0.000 2.044 104 L HA -0.187 4.153 4.340 -0.000 0.000 0.205 104 L C 2.449 179.239 176.870 -0.134 0.000 1.075 104 L CA 1.206 55.735 54.840 -0.520 0.000 0.747 104 L CB -0.048 41.386 42.059 -1.042 0.000 0.903 104 L HN 0.144 nan 8.230 nan 0.000 0.435 105 L N -0.256 120.974 121.223 0.013 0.000 2.046 105 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 105 L C 2.655 179.704 176.870 0.297 0.000 1.077 105 L CA 1.436 56.413 54.840 0.228 0.000 0.747 105 L CB -0.578 41.553 42.059 0.120 0.000 0.896 105 L HN 0.263 nan 8.230 nan 0.000 0.432 106 K N -0.418 120.073 120.400 0.152 0.000 2.097 106 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 106 K C 2.302 178.967 176.600 0.109 0.000 1.049 106 K CA 1.380 57.749 56.287 0.138 0.000 0.933 106 K CB -0.117 32.435 32.500 0.087 0.000 0.717 106 K HN 0.127 nan 8.250 nan 0.000 0.442 107 S N 0.045 115.774 115.700 0.048 0.000 2.402 107 S HA -0.153 4.317 4.470 -0.000 0.000 0.233 107 S C 1.629 176.249 174.600 0.032 0.000 1.030 107 S CA 1.308 59.518 58.200 0.017 0.000 1.003 107 S CB -0.171 62.902 63.200 -0.212 0.000 0.813 107 S HN 0.352 nan 8.310 nan 0.000 0.477 108 Y N -1.443 118.786 120.300 -0.118 0.000 2.396 108 Y HA 0.146 4.696 4.550 -0.000 0.000 0.292 108 Y C 1.500 176.913 175.900 -0.811 0.000 1.128 108 Y CA 0.375 58.076 58.100 -0.665 0.000 1.194 108 Y CB 0.148 38.073 38.460 -0.892 0.000 1.124 108 Y HN 0.210 nan 8.280 nan 0.000 0.543 109 F N -1.404 118.599 119.950 0.088 0.000 2.717 109 F HA 0.150 4.677 4.527 -0.000 0.000 0.295 109 F C 1.330 177.156 175.800 0.044 0.000 1.117 109 F CA -0.184 57.861 58.000 0.076 0.000 1.361 109 F CB -0.098 38.952 39.000 0.084 0.000 1.112 109 F HN -0.254 nan 8.300 nan 0.000 0.594 110 S N 0.794 116.595 115.700 0.168 0.000 2.632 110 S HA 0.072 4.542 4.470 -0.000 0.000 0.267 110 S C 1.306 175.931 174.600 0.042 0.000 1.276 110 S CA -0.347 57.916 58.200 0.106 0.000 0.998 110 S CB 0.854 64.117 63.200 0.104 0.000 0.953 110 S HN 0.502 nan 8.310 nan 0.000 0.547 111 E N 0.631 120.847 120.200 0.026 0.000 2.435 111 E HA -0.014 4.336 4.350 -0.000 0.000 0.195 111 E C 0.822 177.438 176.600 0.025 0.000 1.029 111 E CA 0.632 57.018 56.400 -0.024 0.000 0.865 111 E CB -0.181 29.502 29.700 -0.028 0.000 0.833 111 E HN 0.819 nan 8.360 nan 0.000 0.510 112 E N 1.162 121.419 120.200 0.095 0.000 2.489 112 E HA 0.147 4.497 4.350 -0.000 0.000 0.193 112 E C 0.889 177.672 176.600 0.304 0.000 1.057 112 E CA 0.213 56.726 56.400 0.187 0.000 0.866 112 E CB 0.701 30.466 29.700 0.109 0.000 0.916 112 E HN 0.339 nan 8.360 nan 0.000 0.500 113 G N 1.703 110.625 108.800 0.204 0.000 3.135 113 G HA2 0.398 4.358 3.960 -0.000 0.000 0.159 113 G HA3 0.398 4.358 3.960 -0.000 0.000 0.159 113 G C 0.399 175.323 174.900 0.039 0.000 1.244 113 G CA -0.699 44.529 45.100 0.213 0.000 0.965 113 G HN 0.194 nan 8.290 nan 0.000 0.599 114 I N -1.944 118.548 120.570 -0.131 0.000 3.856 114 I HA 0.479 4.649 4.170 -0.000 0.000 0.333 114 I C 1.139 177.078 176.117 -0.297 0.000 1.525 114 I CA 0.080 61.163 61.300 -0.361 0.000 1.173 114 I CB 0.240 37.924 38.000 -0.526 0.000 1.175 114 I HN 0.690 nan 8.210 nan 0.000 0.424 115 G N 1.583 110.264 108.800 -0.199 0.000 2.441 115 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.298 115 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.298 115 G C 0.049 174.971 174.900 0.037 0.000 0.949 115 G CA 0.132 45.177 45.100 -0.092 0.000 1.072 115 G HN 0.702 nan 8.290 nan 0.000 0.512 116 Y N -0.018 120.150 120.300 -0.220 0.000 2.683 116 Y HA 0.011 4.561 4.550 -0.000 0.000 0.340 116 Y C 1.651 177.546 175.900 -0.008 0.000 1.245 116 Y CA 0.362 58.345 58.100 -0.195 0.000 1.485 116 Y CB 0.575 38.695 38.460 -0.568 0.000 1.328 116 Y HN 0.523 nan 8.280 nan 0.000 0.603 117 N N 2.837 121.625 118.700 0.147 0.000 2.240 117 N HA 0.199 4.939 4.740 -0.000 0.000 0.240 117 N C -0.957 174.586 175.510 0.055 0.000 1.277 117 N CA 0.182 53.299 53.050 0.111 0.000 0.873 117 N CB 0.397 38.910 38.487 0.044 0.000 1.222 117 N HN 0.481 nan 8.380 nan 0.000 0.507 118 I N 1.153 121.767 120.570 0.074 0.000 2.607 118 I HA 0.439 4.609 4.170 -0.000 0.000 0.290 118 I C -1.137 175.062 176.117 0.136 0.000 1.129 118 I CA -0.706 60.632 61.300 0.063 0.000 1.042 118 I CB 2.500 40.516 38.000 0.028 0.000 1.242 118 I HN -0.134 nan 8.210 nan 0.000 0.421 119 I N 5.528 126.200 120.570 0.171 0.000 2.468 119 I HA 0.415 4.585 4.170 -0.000 0.000 0.285 119 I C -0.228 176.014 176.117 0.209 0.000 1.039 119 I CA -0.564 60.853 61.300 0.195 0.000 1.074 119 I CB 2.152 40.258 38.000 0.176 0.000 1.228 119 I HN 0.515 nan 8.210 nan 0.000 0.436 120 R N 5.132 125.773 120.500 0.235 0.000 2.410 120 R HA 0.694 5.034 4.340 -0.000 0.000 0.288 120 R C -1.397 175.085 176.300 0.304 0.000 1.051 120 R CA -0.355 55.919 56.100 0.291 0.000 1.021 120 R CB 1.402 31.885 30.300 0.305 0.000 1.032 120 R HN 0.442 nan 8.270 nan 0.000 0.481 121 V N 6.607 126.729 119.914 0.346 0.000 2.443 121 V HA 0.348 4.468 4.120 -0.000 0.000 0.293 121 V C -2.316 173.944 176.094 0.277 0.000 1.021 121 V CA -2.082 60.412 62.300 0.324 0.000 0.848 121 V CB 1.807 33.892 31.823 0.435 0.000 0.998 121 V HN 0.839 nan 8.190 nan 0.000 0.424 122 P HA 0.317 nan 4.420 nan 0.000 0.275 122 P C -0.279 177.084 177.300 0.105 0.000 1.227 122 P CA -0.217 63.017 63.100 0.224 0.000 0.781 122 P CB 0.474 32.112 31.700 -0.103 0.000 0.906 123 M N 3.068 122.687 119.600 0.032 0.000 2.725 123 M HA 0.436 4.916 4.480 -0.000 0.000 0.322 123 M C 0.572 176.850 176.300 -0.036 0.000 1.393 123 M CA 0.171 55.404 55.300 -0.110 0.000 1.452 123 M CB -0.921 31.455 32.600 -0.373 0.000 1.242 123 M HN 0.598 nan 8.290 nan 0.000 0.487 124 A N 1.226 123.946 122.820 -0.165 0.000 5.757 124 A HA -0.146 4.174 4.320 -0.000 0.000 0.240 124 A C 0.217 177.475 177.584 -0.543 0.000 2.324 124 A CA 0.151 51.804 52.037 -0.640 0.000 0.706 124 A CB -1.666 16.735 19.000 -0.998 0.000 0.942 124 A HN 0.839 nan 8.150 nan 0.000 0.337 125 S N -0.044 115.060 115.700 -0.995 0.000 2.601 125 S HA 0.666 5.135 4.470 -0.000 0.000 0.271 125 S C 0.519 174.853 174.600 -0.443 0.000 1.305 125 S CA 0.370 58.116 58.200 -0.758 0.000 1.022 125 S CB 0.638 63.208 63.200 -1.050 0.000 0.940 125 S HN 2.529 nan 8.310 nan 0.000 0.525 126 C N 0.693 119.739 119.300 -0.423 0.000 3.312 126 C HA 0.658 5.118 4.460 -0.000 0.000 0.368 126 C C 1.188 176.112 174.990 -0.110 0.000 2.465 126 C CA 0.004 58.702 59.018 -0.533 0.000 1.359 126 C CB 0.502 27.311 27.740 -1.551 0.000 2.896 126 C HN 0.865 nan 8.230 nan 0.000 0.470 127 D N 0.252 120.513 120.400 -0.231 0.000 2.312 127 D HA -0.048 4.591 4.640 -0.000 0.000 0.211 127 D C 0.424 176.489 176.300 -0.391 0.000 0.964 127 D CA 0.776 54.550 54.000 -0.376 0.000 0.877 127 D CB -0.378 39.677 40.800 -1.242 0.000 0.924 127 D HN 0.585 nan 8.370 nan 0.000 0.515 128 F N 1.212 121.071 119.950 -0.152 0.000 2.753 128 F HA 0.339 4.866 4.527 -0.000 0.000 0.314 128 F C 0.181 175.920 175.800 -0.103 0.000 1.215 128 F CA -0.248 57.663 58.000 -0.147 0.000 1.243 128 F CB 0.439 39.249 39.000 -0.317 0.000 1.400 128 F HN -0.262 nan 8.300 nan 0.000 0.548 129 S N 0.418 116.178 115.700 0.100 0.000 2.588 129 S HA 0.443 4.913 4.470 -0.000 0.000 0.275 129 S C 0.668 175.341 174.600 0.122 0.000 1.130 129 S CA -0.736 57.519 58.200 0.091 0.000 0.855 129 S CB 1.745 64.963 63.200 0.030 0.000 1.116 129 S HN 0.404 nan 8.310 nan 0.000 0.472 130 I N -0.688 119.933 120.570 0.084 0.000 3.883 130 I HA 0.403 4.573 4.170 -0.000 0.000 0.326 130 I C 0.337 176.459 176.117 0.008 0.000 1.283 130 I CA -0.146 61.203 61.300 0.081 0.000 1.161 130 I CB -0.227 37.806 38.000 0.056 0.000 1.012 130 I HN 0.535 nan 8.210 nan 0.000 0.421 131 R N 0.422 120.866 120.500 -0.092 0.000 2.664 131 R HA 0.427 4.767 4.340 -0.000 0.000 0.266 131 R C -0.762 175.338 176.300 -0.334 0.000 1.046 131 R CA -0.490 55.475 56.100 -0.226 0.000 0.885 131 R CB 0.463 30.713 30.300 -0.083 0.000 1.254 131 R HN 0.097 nan 8.270 nan 0.000 0.465 132 T N -0.366 113.860 114.554 -0.547 0.000 2.909 132 T HA 0.659 5.009 4.350 -0.000 0.000 0.289 132 T C -0.405 174.196 174.700 -0.165 0.000 1.005 132 T CA -0.274 61.503 62.100 -0.538 0.000 1.084 132 T CB 0.623 69.093 68.868 -0.664 0.000 0.975 132 T HN 0.807 nan 8.240 nan 0.000 0.509 133 Y N -1.607 118.542 120.300 -0.251 0.000 2.786 133 Y HA 0.550 5.100 4.550 -0.000 0.000 0.365 133 Y C -0.802 174.979 175.900 -0.198 0.000 1.171 133 Y CA -0.893 57.094 58.100 -0.188 0.000 1.214 133 Y CB 0.273 38.630 38.460 -0.172 0.000 1.411 133 Y HN 1.072 nan 8.280 nan 0.000 0.485 134 T N -2.288 112.220 114.554 -0.077 0.000 2.831 134 T HA 0.450 4.800 4.350 -0.000 0.000 0.287 134 T C -0.538 174.166 174.700 0.006 0.000 1.070 134 T CA -0.688 61.318 62.100 -0.156 0.000 1.010 134 T CB 1.207 70.047 68.868 -0.047 0.000 1.264 134 T HN 0.777 nan 8.240 nan 0.000 0.532 135 Y N 0.067 120.448 120.300 0.135 0.000 2.529 135 Y HA 0.504 5.054 4.550 -0.000 0.000 0.290 135 Y C 1.463 177.183 175.900 -0.301 0.000 1.177 135 Y CA -0.103 57.805 58.100 -0.320 0.000 1.305 135 Y CB 0.371 38.216 38.460 -1.024 0.000 1.047 135 Y HN 0.834 nan 8.280 nan 0.000 0.522 136 A N -0.247 122.719 122.820 0.244 0.000 3.277 136 A HA 0.223 4.543 4.320 -0.000 0.000 0.281 136 A C -0.229 177.612 177.584 0.429 0.000 1.179 136 A CA -0.497 51.749 52.037 0.349 0.000 0.879 136 A CB -0.162 19.189 19.000 0.586 0.000 1.374 136 A HN 0.192 nan 8.150 nan 0.000 0.590 137 D N 0.505 121.077 120.400 0.286 0.000 2.347 137 D HA -0.009 4.631 4.640 -0.000 0.000 0.213 137 D C 0.276 176.745 176.300 0.282 0.000 0.985 137 D CA 0.878 55.051 54.000 0.288 0.000 0.879 137 D CB 0.373 41.262 40.800 0.148 0.000 0.919 137 D HN 0.449 nan 8.370 nan 0.000 0.526 138 T N 3.833 118.499 114.554 0.187 0.000 2.765 138 T HA 0.089 4.438 4.350 -0.000 0.000 0.284 138 T C -2.344 172.221 174.700 -0.225 0.000 0.946 138 T CA -0.949 61.160 62.100 0.014 0.000 1.185 138 T CB 0.893 69.760 68.868 -0.002 0.000 0.887 138 T HN -0.027 nan 8.240 nan 0.000 0.532 139 P HA -0.014 nan 4.420 nan 0.000 0.264 139 P C 0.280 176.907 177.300 -1.121 0.000 1.179 139 P CA 0.173 62.826 63.100 -0.745 0.000 0.763 139 P CB 0.262 31.797 31.700 -0.276 0.000 0.806 140 D N -0.132 119.198 120.400 -1.784 0.000 2.733 140 D HA -0.226 4.414 4.640 -0.000 0.000 0.232 140 D C -0.053 175.464 176.300 -1.306 0.000 1.161 140 D CA 1.155 54.252 54.000 -1.504 0.000 0.653 140 D CB -1.393 39.161 40.800 -0.411 0.000 1.052 140 D HN 0.478 nan 8.370 nan 0.000 0.424 141 D N -0.710 118.758 120.400 -1.555 0.000 2.631 141 D HA 0.144 4.784 4.640 -0.000 0.000 0.227 141 D C 0.912 177.106 176.300 -0.177 0.000 1.146 141 D CA -0.476 53.218 54.000 -0.510 0.000 1.009 141 D CB -0.616 40.085 40.800 -0.166 0.000 1.057 141 D HN 0.067 nan 8.370 nan 0.000 0.509 142 F N 0.365 120.341 119.950 0.044 0.000 2.269 142 F HA -0.088 4.439 4.527 -0.000 0.000 0.301 142 F C 2.340 178.283 175.800 0.239 0.000 1.082 142 F CA 0.595 58.747 58.000 0.253 0.000 1.360 142 F CB 0.095 39.170 39.000 0.124 0.000 1.041 142 F HN 0.298 nan 8.300 nan 0.000 0.512 143 Q N 0.112 120.097 119.800 0.309 0.000 2.451 143 Q HA 0.089 4.428 4.340 -0.000 0.000 0.206 143 Q C 0.813 176.973 176.000 0.268 0.000 0.947 143 Q CA 0.263 56.210 55.803 0.240 0.000 0.937 143 Q CB -0.072 28.758 28.738 0.153 0.000 1.025 143 Q HN 0.469 nan 8.270 nan 0.000 0.511 144 L N 1.088 122.508 121.223 0.327 0.000 3.713 144 L HA -0.303 4.036 4.340 -0.000 0.000 0.499 144 L C 1.081 178.161 176.870 0.351 0.000 1.281 144 L CA 0.271 55.341 54.840 0.384 0.000 0.796 144 L CB -1.508 40.780 42.059 0.382 0.000 1.535 144 L HN 0.460 nan 8.230 nan 0.000 0.851 145 H N 0.577 119.757 119.070 0.184 0.000 2.448 145 H HA 0.056 4.612 4.556 -0.000 0.000 0.292 145 H C 1.311 176.731 175.328 0.152 0.000 1.035 145 H CA 0.794 56.925 56.048 0.139 0.000 1.349 145 H CB 0.563 30.379 29.762 0.090 0.000 1.425 145 H HN 0.560 nan 8.280 nan 0.000 0.539 146 N N 0.709 119.489 118.700 0.134 0.000 2.378 146 N HA -0.029 4.710 4.740 -0.000 0.000 0.243 146 N C -0.861 174.732 175.510 0.137 0.000 1.137 146 N CA -0.106 52.978 53.050 0.056 0.000 0.862 146 N CB -0.068 38.449 38.487 0.051 0.000 1.116 146 N HN 0.177 nan 8.380 nan 0.000 0.499 147 F N 2.453 122.456 119.950 0.089 0.000 2.438 147 F HA 0.219 4.746 4.527 -0.000 0.000 0.356 147 F C 0.452 176.283 175.800 0.053 0.000 1.099 147 F CA -0.282 57.776 58.000 0.098 0.000 1.185 147 F CB 0.573 39.608 39.000 0.057 0.000 1.115 147 F HN -0.047 nan 8.300 nan 0.000 0.526 148 S N 5.754 121.243 115.700 -0.351 0.000 2.552 148 S HA 0.546 5.016 4.470 -0.000 0.000 0.272 148 S C -1.503 173.004 174.600 -0.155 0.000 1.150 148 S CA -1.209 56.913 58.200 -0.131 0.000 0.849 148 S CB 0.960 64.146 63.200 -0.024 0.000 1.113 148 S HN 0.668 nan 8.310 nan 0.000 0.458 149 L N 2.763 123.960 121.223 -0.043 0.000 2.290 149 L HA 0.516 4.855 4.340 -0.000 0.000 0.284 149 L C -1.671 175.236 176.870 0.062 0.000 1.078 149 L CA -1.714 53.161 54.840 0.059 0.000 0.815 149 L CB 0.775 42.827 42.059 -0.012 0.000 1.162 149 L HN 0.600 nan 8.230 nan 0.000 0.435 150 P HA 0.124 nan 4.420 nan 0.000 0.289 150 P C 0.156 177.412 177.300 -0.073 0.000 1.299 150 P CA -0.432 62.627 63.100 -0.068 0.000 0.766 150 P CB 1.020 32.558 31.700 -0.271 0.000 1.226 151 E N -0.386 119.742 120.200 -0.120 0.000 2.153 151 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 151 E C 1.694 178.252 176.600 -0.070 0.000 0.988 151 E CA 1.219 57.567 56.400 -0.086 0.000 0.811 151 E CB -0.140 29.506 29.700 -0.090 0.000 0.746 151 E HN 0.449 nan 8.360 nan 0.000 0.466 152 E N 0.775 120.915 120.200 -0.100 0.000 2.171 152 E HA -0.202 4.148 4.350 -0.000 0.000 0.197 152 E C 1.425 178.059 176.600 0.056 0.000 0.997 152 E CA 1.277 57.665 56.400 -0.021 0.000 0.810 152 E CB 0.019 29.721 29.700 0.004 0.000 0.738 152 E HN 0.295 nan 8.360 nan 0.000 0.467 153 D N -1.174 119.270 120.400 0.073 0.000 2.355 153 D HA -0.044 4.596 4.640 -0.000 0.000 0.233 153 D C 2.068 178.306 176.300 -0.104 0.000 0.997 153 D CA 1.843 55.888 54.000 0.075 0.000 0.920 153 D CB -0.301 40.602 40.800 0.171 0.000 1.063 153 D HN 0.303 nan 8.370 nan 0.000 0.465 154 T N -0.694 113.775 114.554 -0.141 0.000 2.915 154 T HA -0.070 4.280 4.350 -0.000 0.000 0.269 154 T C 1.841 176.498 174.700 -0.072 0.000 1.071 154 T CA 1.005 63.001 62.100 -0.173 0.000 1.132 154 T CB 0.174 68.993 68.868 -0.081 0.000 0.878 154 T HN -0.153 nan 8.240 nan 0.000 0.479 155 K N 0.032 120.404 120.400 -0.047 0.000 2.287 155 K HA 0.477 4.797 4.320 -0.000 0.000 0.199 155 K C 1.967 178.557 176.600 -0.017 0.000 1.061 155 K CA 0.388 56.659 56.287 -0.025 0.000 0.976 155 K CB 0.047 32.530 32.500 -0.027 0.000 0.898 155 K HN 0.336 nan 8.250 nan 0.000 0.492 156 L N -0.541 120.673 121.223 -0.014 0.000 2.416 156 L HA 0.140 4.480 4.340 -0.000 0.000 0.188 156 L C 1.868 178.742 176.870 0.007 0.000 1.145 156 L CA 0.472 55.311 54.840 -0.002 0.000 0.826 156 L CB -0.375 41.687 42.059 0.004 0.000 1.064 156 L HN -0.098 nan 8.230 nan 0.000 0.490 157 K N 0.827 121.245 120.400 0.031 0.000 1.984 157 K HA -0.063 4.257 4.320 -0.000 0.000 0.209 157 K C 2.039 178.646 176.600 0.012 0.000 1.046 157 K CA 1.402 57.724 56.287 0.058 0.000 0.934 157 K CB -0.229 32.364 32.500 0.155 0.000 0.717 157 K HN 0.106 nan 8.250 nan 0.000 0.438 158 I N 1.047 121.584 120.570 -0.056 0.000 2.194 158 I HA -0.231 3.939 4.170 -0.000 0.000 0.246 158 I C -1.014 175.047 176.117 -0.094 0.000 1.093 158 I CA 1.283 62.472 61.300 -0.185 0.000 1.355 158 I CB -0.836 36.926 38.000 -0.398 0.000 1.046 158 I HN 0.124 nan 8.210 nan 0.000 0.413 159 P HA -0.111 nan 4.420 nan 0.000 0.217 159 P C 1.909 179.226 177.300 0.028 0.000 1.151 159 P CA 1.236 64.384 63.100 0.079 0.000 0.828 159 P CB 0.074 31.800 31.700 0.043 0.000 0.788 160 L N -1.407 119.805 121.223 -0.017 0.000 2.093 160 L HA -0.123 4.216 4.340 -0.000 0.000 0.208 160 L C 2.304 179.108 176.870 -0.111 0.000 1.085 160 L CA 1.284 56.096 54.840 -0.047 0.000 0.755 160 L CB -0.639 41.401 42.059 -0.031 0.000 0.904 160 L HN -0.048 nan 8.230 nan 0.000 0.435 161 I N -1.206 119.289 120.570 -0.126 0.000 2.202 161 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 161 I C 2.625 178.621 176.117 -0.200 0.000 1.091 161 I CA 0.941 62.121 61.300 -0.200 0.000 1.368 161 I CB -0.498 37.400 38.000 -0.169 0.000 1.058 161 I HN 0.280 nan 8.210 nan 0.000 0.410 162 H N 1.107 120.126 119.070 -0.085 0.000 2.353 162 H HA -0.152 4.404 4.556 -0.000 0.000 0.298 162 H C 2.470 177.742 175.328 -0.093 0.000 1.103 162 H CA 1.573 57.578 56.048 -0.073 0.000 1.293 162 H CB -0.232 29.502 29.762 -0.046 0.000 1.372 162 H HN 0.309 nan 8.280 nan 0.000 0.501 163 R N 0.058 120.572 120.500 0.022 0.000 2.115 163 R HA -0.004 4.335 4.340 -0.000 0.000 0.230 163 R C 2.553 178.780 176.300 -0.122 0.000 1.111 163 R CA 0.914 56.994 56.100 -0.034 0.000 0.976 163 R CB -0.060 30.224 30.300 -0.028 0.000 0.870 163 R HN 0.222 nan 8.270 nan 0.000 0.445 164 A N 1.132 123.780 122.820 -0.287 0.000 1.872 164 A HA -0.069 4.251 4.320 -0.000 0.000 0.214 164 A C 2.107 179.471 177.584 -0.366 0.000 1.187 164 A CA 0.923 52.593 52.037 -0.611 0.000 0.614 164 A CB -0.462 17.666 19.000 -1.454 0.000 0.826 164 A HN 0.149 nan 8.150 nan 0.000 0.442 165 L N -0.721 120.356 121.223 -0.243 0.000 2.131 165 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 165 L C 2.801 179.657 176.870 -0.023 0.000 1.092 165 L CA 1.714 56.500 54.840 -0.090 0.000 0.759 165 L CB -0.595 41.431 42.059 -0.055 0.000 0.903 165 L HN 0.599 nan 8.230 nan 0.000 0.435 166 Q N 0.324 120.111 119.800 -0.022 0.000 2.230 166 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 166 Q C 2.097 178.107 176.000 0.017 0.000 0.963 166 Q CA 0.936 56.742 55.803 0.005 0.000 0.866 166 Q CB 0.221 28.962 28.738 0.006 0.000 0.931 166 Q HN 0.560 nan 8.270 nan 0.000 0.452 167 L N -0.190 121.046 121.223 0.021 0.000 2.513 167 L HA 0.314 4.653 4.340 -0.000 0.000 0.222 167 L C 0.857 177.789 176.870 0.104 0.000 1.096 167 L CA -0.314 54.563 54.840 0.062 0.000 0.857 167 L CB -0.044 42.065 42.059 0.085 0.000 1.026 167 L HN 0.017 nan 8.230 nan 0.000 0.469 168 A N 0.668 123.557 122.820 0.115 0.000 2.540 168 A HA -0.064 4.256 4.320 -0.000 0.000 0.239 168 A C 1.274 178.916 177.584 0.098 0.000 1.061 168 A CA 0.176 52.311 52.037 0.163 0.000 0.758 168 A CB 0.427 19.526 19.000 0.165 0.000 0.991 168 A HN 0.417 nan 8.150 nan 0.000 0.502 169 Q N 2.290 122.144 119.800 0.090 0.000 1.941 169 Q HA -0.125 4.215 4.340 -0.000 0.000 0.201 169 Q C 0.804 176.823 176.000 0.032 0.000 0.982 169 Q CA 1.349 57.176 55.803 0.041 0.000 0.839 169 Q CB -0.095 28.648 28.738 0.008 0.000 0.904 169 Q HN 0.849 nan 8.270 nan 0.000 0.427 170 R N 0.856 121.376 120.500 0.034 0.000 2.674 170 R HA 0.507 4.847 4.340 -0.000 0.000 0.266 170 R C -2.542 173.780 176.300 0.036 0.000 1.016 170 R CA -2.212 53.901 56.100 0.022 0.000 1.062 170 R CB -0.412 29.889 30.300 0.001 0.000 1.142 170 R HN 0.058 nan 8.270 nan 0.000 0.517 171 P HA -0.002 nan 4.420 nan 0.000 0.265 171 P C -0.681 176.627 177.300 0.014 0.000 1.193 171 P CA -0.064 63.043 63.100 0.012 0.000 0.765 171 P CB 0.506 32.203 31.700 -0.005 0.000 0.823 172 V N 3.019 122.947 119.914 0.023 0.000 2.472 172 V HA 0.323 4.442 4.120 -0.000 0.000 0.290 172 V C 0.306 176.390 176.094 -0.017 0.000 1.037 172 V CA -0.258 62.062 62.300 0.034 0.000 0.908 172 V CB 1.750 33.625 31.823 0.086 0.000 0.985 172 V HN 0.459 nan 8.190 nan 0.000 0.454 173 S N 4.906 120.579 115.700 -0.044 0.000 2.451 173 S HA 0.669 5.139 4.470 -0.000 0.000 0.301 173 S C -0.468 174.173 174.600 0.068 0.000 1.116 173 S CA -0.508 57.672 58.200 -0.034 0.000 1.093 173 S CB 0.957 63.977 63.200 -0.300 0.000 1.017 173 S HN 0.495 nan 8.310 nan 0.000 0.482 174 L N 3.657 124.904 121.223 0.040 0.000 2.275 174 L HA 0.565 4.905 4.340 -0.000 0.000 0.288 174 L C -0.692 176.332 176.870 0.257 0.000 1.046 174 L CA -0.829 53.950 54.840 -0.101 0.000 0.805 174 L CB 1.012 42.534 42.059 -0.896 0.000 1.193 174 L HN 0.414 nan 8.230 nan 0.000 0.426 175 L N 3.760 125.214 121.223 0.386 0.000 2.333 175 L HA 0.844 5.184 4.340 -0.000 0.000 0.280 175 L C -0.376 176.756 176.870 0.435 0.000 1.004 175 L CA -0.156 54.916 54.840 0.385 0.000 0.820 175 L CB 1.542 43.777 42.059 0.293 0.000 1.247 175 L HN 0.635 nan 8.230 nan 0.000 0.416 176 A N 3.250 126.230 122.820 0.267 0.000 2.325 176 A HA 0.937 5.257 4.320 -0.000 0.000 0.333 176 A C -0.739 176.799 177.584 -0.076 0.000 1.155 176 A CA -0.434 51.601 52.037 -0.005 0.000 0.814 176 A CB 1.115 19.783 19.000 -0.553 0.000 1.206 176 A HN 0.761 nan 8.150 nan 0.000 0.482 177 S N 2.310 117.984 115.700 -0.044 0.000 2.566 177 S HA 0.670 5.140 4.470 -0.000 0.000 0.273 177 S C -3.179 171.469 174.600 0.079 0.000 1.157 177 S CA -0.769 57.409 58.200 -0.035 0.000 0.938 177 S CB 2.396 65.573 63.200 -0.038 0.000 1.087 177 S HN 0.651 nan 8.310 nan 0.000 0.474 178 P HA 0.346 nan 4.420 nan 0.000 0.293 178 P C -0.046 177.391 177.300 0.228 0.000 1.291 178 P CA -0.702 62.477 63.100 0.131 0.000 0.867 178 P CB 1.407 33.084 31.700 -0.037 0.000 1.074 179 W N 0.914 122.230 121.300 0.026 0.000 2.644 179 W HA 0.052 4.712 4.660 -0.000 0.000 0.279 179 W C 0.750 177.279 176.519 0.016 0.000 1.164 179 W CA 0.730 58.116 57.345 0.069 0.000 1.457 179 W CB 0.509 30.053 29.460 0.141 0.000 1.087 179 W HN 0.265 nan 8.180 nan 0.000 0.573 180 T N -0.279 114.381 114.554 0.177 0.000 2.883 180 T HA 0.369 4.718 4.350 -0.000 0.000 0.301 180 T C -0.247 174.279 174.700 -0.289 0.000 1.158 180 T CA -0.392 61.663 62.100 -0.075 0.000 1.007 180 T CB 1.597 70.421 68.868 -0.073 0.000 1.186 180 T HN -0.069 nan 8.240 nan 0.000 0.499 181 S N 2.660 117.939 115.700 -0.702 0.000 2.758 181 S HA 0.777 5.247 4.470 -0.000 0.000 0.292 181 S C -2.845 171.279 174.600 -0.794 0.000 1.131 181 S CA -1.476 55.975 58.200 -1.249 0.000 0.997 181 S CB 0.705 62.524 63.200 -2.301 0.000 1.111 181 S HN 0.530 nan 8.310 nan 0.000 0.552 182 P HA 0.077 nan 4.420 nan 0.000 0.265 182 P C 1.097 177.983 177.300 -0.690 0.000 1.187 182 P CA 0.250 62.934 63.100 -0.692 0.000 0.766 182 P CB 0.328 31.378 31.700 -1.083 0.000 0.820 183 T N -0.818 113.518 114.554 -0.363 0.000 3.007 183 T HA -0.127 4.223 4.350 -0.000 0.000 0.270 183 T C 1.150 175.776 174.700 -0.124 0.000 1.107 183 T CA 0.616 62.587 62.100 -0.216 0.000 1.118 183 T CB -0.670 68.158 68.868 -0.067 0.000 0.889 183 T HN 0.577 nan 8.240 nan 0.000 0.506 184 W N 0.685 121.933 121.300 -0.085 0.000 3.180 184 W HA 0.396 5.056 4.660 -0.000 0.000 0.254 184 W C 0.542 177.074 176.519 0.022 0.000 1.318 184 W CA -0.570 56.753 57.345 -0.036 0.000 1.608 184 W CB -0.715 28.708 29.460 -0.062 0.000 1.124 184 W HN 0.266 nan 8.180 nan 0.000 0.694 185 L N 0.860 121.905 121.223 -0.297 0.000 2.693 185 L HA 0.240 4.580 4.340 -0.000 0.000 0.235 185 L C 0.447 177.180 176.870 -0.228 0.000 1.127 185 L CA 0.291 55.028 54.840 -0.171 0.000 0.914 185 L CB 0.018 41.728 42.059 -0.581 0.000 1.193 185 L HN -0.267 nan 8.230 nan 0.000 0.502 186 K N -0.476 119.783 120.400 -0.235 0.000 2.156 186 K HA 0.265 4.584 4.320 -0.000 0.000 0.250 186 K C 1.150 177.645 176.600 -0.175 0.000 0.955 186 K CA -0.129 56.004 56.287 -0.258 0.000 0.855 186 K CB 1.725 34.062 32.500 -0.272 0.000 1.101 186 K HN -0.113 nan 8.250 nan 0.000 0.434 187 T N -1.936 112.503 114.554 -0.192 0.000 2.977 187 T HA -0.129 4.221 4.350 -0.000 0.000 0.271 187 T C 0.966 175.609 174.700 -0.095 0.000 1.105 187 T CA 1.315 63.328 62.100 -0.145 0.000 1.116 187 T CB -0.283 68.498 68.868 -0.144 0.000 0.878 187 T HN 0.688 nan 8.240 nan 0.000 0.509 188 N N 0.405 119.050 118.700 -0.093 0.000 2.171 188 N HA 0.176 4.916 4.740 -0.000 0.000 0.212 188 N C 1.325 176.810 175.510 -0.041 0.000 1.184 188 N CA 0.377 53.391 53.050 -0.059 0.000 0.888 188 N CB -0.295 38.157 38.487 -0.059 0.000 1.038 188 N HN 0.519 nan 8.380 nan 0.000 0.517 189 G N 0.417 109.188 108.800 -0.049 0.000 2.356 189 G HA2 0.009 3.969 3.960 -0.000 0.000 0.296 189 G HA3 0.009 3.969 3.960 -0.000 0.000 0.296 189 G C -0.031 174.856 174.900 -0.023 0.000 1.022 189 G CA 0.523 45.610 45.100 -0.021 0.000 0.961 189 G HN 0.916 nan 8.290 nan 0.000 0.510 190 A N -1.348 121.443 122.820 -0.048 0.000 2.488 190 A HA 0.835 5.155 4.320 -0.000 0.000 0.298 190 A C 1.112 178.670 177.584 -0.044 0.000 1.044 190 A CA 0.266 52.287 52.037 -0.027 0.000 0.693 190 A CB 1.198 20.197 19.000 -0.003 0.000 1.272 190 A HN 1.579 nan 8.150 nan 0.000 0.402 191 V N 0.099 119.996 119.914 -0.028 0.000 2.568 191 V HA -0.099 4.021 4.120 -0.000 0.000 0.253 191 V C 0.800 176.924 176.094 0.049 0.000 1.072 191 V CA 2.324 64.609 62.300 -0.025 0.000 1.084 191 V CB -1.556 30.252 31.823 -0.025 0.000 0.676 191 V HN 1.003 nan 8.190 nan 0.000 0.469 192 N N 0.328 119.080 118.700 0.088 0.000 3.124 192 N HA 0.643 5.382 4.740 -0.000 0.000 0.350 192 N C 0.666 176.205 175.510 0.049 0.000 1.411 192 N CA 0.244 53.359 53.050 0.108 0.000 0.729 192 N CB 0.209 38.795 38.487 0.166 0.000 1.379 192 N HN 0.898 nan 8.380 nan 0.000 0.599 193 G N -0.380 108.454 108.800 0.056 0.000 2.697 193 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.240 193 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.240 193 G C -0.834 174.070 174.900 0.007 0.000 1.346 193 G CA 0.210 45.328 45.100 0.030 0.000 0.887 193 G HN 0.898 nan 8.290 nan 0.000 0.569 194 K N 0.581 120.971 120.400 -0.016 0.000 2.267 194 K HA 0.591 4.911 4.320 -0.000 0.000 0.282 194 K C 0.299 176.859 176.600 -0.066 0.000 1.078 194 K CA 0.183 56.443 56.287 -0.044 0.000 0.903 194 K CB 0.212 32.691 32.500 -0.035 0.000 1.111 194 K HN 1.667 nan 8.250 nan 0.000 0.475 195 G N 1.708 110.449 108.800 -0.099 0.000 2.655 195 G HA2 0.322 4.281 3.960 -0.000 0.000 0.296 195 G HA3 0.322 4.281 3.960 -0.000 0.000 0.296 195 G C -1.279 173.507 174.900 -0.190 0.000 1.485 195 G CA -0.610 44.413 45.100 -0.129 0.000 0.869 195 G HN 0.646 nan 8.290 nan 0.000 0.540 196 S N 0.044 115.604 115.700 -0.233 0.000 2.921 196 S HA 0.797 5.267 4.470 -0.000 0.000 0.315 196 S C -0.085 174.258 174.600 -0.428 0.000 1.087 196 S CA -0.940 57.037 58.200 -0.371 0.000 0.877 196 S CB 0.756 63.758 63.200 -0.330 0.000 1.340 196 S HN 0.679 nan 8.310 nan 0.000 0.622 197 L N 1.511 122.383 121.223 -0.586 0.000 2.426 197 L HA 0.335 4.675 4.340 -0.000 0.000 0.271 197 L C 0.426 177.128 176.870 -0.280 0.000 1.169 197 L CA -0.347 54.170 54.840 -0.539 0.000 0.836 197 L CB 0.479 42.018 42.059 -0.867 0.000 1.112 197 L HN 0.632 nan 8.230 nan 0.000 0.465 198 K N 1.843 122.029 120.400 -0.357 0.000 2.295 198 K HA 0.432 4.752 4.320 -0.000 0.000 0.270 198 K C 0.615 176.982 176.600 -0.388 0.000 1.011 198 K CA 0.411 56.369 56.287 -0.549 0.000 0.953 198 K CB 0.789 32.589 32.500 -1.167 0.000 0.956 198 K HN 0.825 nan 8.250 nan 0.000 0.477 199 G N 1.381 110.006 108.800 -0.292 0.000 2.525 199 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.248 199 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.248 199 G C -1.088 173.784 174.900 -0.046 0.000 1.238 199 G CA 0.072 45.124 45.100 -0.080 0.000 0.926 199 G HN 0.687 nan 8.290 nan 0.000 0.574 200 Q N -0.974 118.750 119.800 -0.126 0.000 2.421 200 Q HA 0.695 5.035 4.340 -0.000 0.000 0.280 200 Q C -3.073 172.505 176.000 -0.702 0.000 1.085 200 Q CA -2.124 53.465 55.803 -0.357 0.000 0.807 200 Q CB 2.150 30.756 28.738 -0.220 0.000 1.405 200 Q HN 0.475 nan 8.270 nan 0.000 0.419 201 P HA -0.060 nan 4.420 nan 0.000 0.263 201 P C 0.643 177.825 177.300 -0.197 0.000 1.168 201 P CA 2.239 65.018 63.100 -0.535 0.000 0.759 201 P CB 0.307 31.962 31.700 -0.076 0.000 0.782 202 G N 1.686 110.489 108.800 0.005 0.000 2.258 202 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.233 202 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.233 202 G C 0.243 175.194 174.900 0.085 0.000 1.006 202 G CA 0.378 45.511 45.100 0.055 0.000 0.620 202 G HN 0.701 nan 8.290 nan 0.000 0.511 203 D N 0.048 120.504 120.400 0.093 0.000 2.376 203 D HA 0.443 5.083 4.640 -0.000 0.000 0.268 203 D C 1.859 178.283 176.300 0.206 0.000 1.252 203 D CA -0.130 53.957 54.000 0.146 0.000 1.041 203 D CB 0.039 40.953 40.800 0.191 0.000 1.109 203 D HN 0.254 nan 8.370 nan 0.000 0.552 204 I N -1.309 119.335 120.570 0.123 0.000 2.500 204 I HA -0.190 3.980 4.170 -0.000 0.000 0.252 204 I C 1.507 177.724 176.117 0.168 0.000 1.142 204 I CA 0.649 61.963 61.300 0.024 0.000 1.451 204 I CB -0.059 37.751 38.000 -0.317 0.000 1.093 204 I HN 0.302 nan 8.210 nan 0.000 0.430 205 Y N 0.437 120.930 120.300 0.322 0.000 2.114 205 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 205 Y C 2.569 178.655 175.900 0.309 0.000 1.143 205 Y CA 2.112 60.431 58.100 0.366 0.000 1.135 205 Y CB -0.780 37.841 38.460 0.268 0.000 0.980 205 Y HN 0.251 nan 8.280 nan 0.000 0.499 206 H N -0.980 118.336 119.070 0.410 0.000 2.423 206 H HA -0.108 4.448 4.556 -0.000 0.000 0.297 206 H C 2.021 177.624 175.328 0.459 0.000 1.075 206 H CA 1.322 57.633 56.048 0.437 0.000 1.342 206 H CB -0.052 29.960 29.762 0.417 0.000 1.395 206 H HN 0.245 nan 8.280 nan 0.000 0.530 207 Q N -0.346 119.723 119.800 0.448 0.000 2.187 207 Q HA -0.038 4.302 4.340 -0.000 0.000 0.199 207 Q C 2.055 178.269 176.000 0.357 0.000 0.957 207 Q CA 1.269 57.270 55.803 0.331 0.000 0.857 207 Q CB -0.106 28.767 28.738 0.224 0.000 0.929 207 Q HN 0.472 nan 8.270 nan 0.000 0.453 208 T N 0.331 115.137 114.554 0.421 0.000 2.737 208 T HA -0.141 4.208 4.350 -0.000 0.000 0.265 208 T C 1.271 176.296 174.700 0.542 0.000 1.038 208 T CA 0.783 63.163 62.100 0.466 0.000 1.144 208 T CB -0.413 68.788 68.868 0.555 0.000 0.866 208 T HN 0.501 nan 8.240 nan 0.000 0.434 209 W N 1.702 123.154 121.300 0.253 0.000 2.335 209 W HA -0.212 4.448 4.660 -0.000 0.000 0.311 209 W C 2.550 179.361 176.519 0.487 0.000 1.213 209 W CA 0.856 58.343 57.345 0.238 0.000 1.274 209 W CB -0.157 29.345 29.460 0.071 0.000 1.148 209 W HN 0.285 nan 8.180 nan 0.000 0.498 210 A N 0.751 123.857 122.820 0.478 0.000 1.933 210 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 210 A C 1.936 179.637 177.584 0.195 0.000 1.175 210 A CA 1.539 53.686 52.037 0.182 0.000 0.628 210 A CB -0.833 18.204 19.000 0.062 0.000 0.814 210 A HN 0.357 nan 8.150 nan 0.000 0.444 211 R N -2.256 118.395 120.500 0.252 0.000 2.115 211 R HA -0.137 4.203 4.340 -0.000 0.000 0.230 211 R C 2.023 178.429 176.300 0.178 0.000 1.111 211 R CA 1.438 57.648 56.100 0.184 0.000 0.976 211 R CB -0.485 29.931 30.300 0.193 0.000 0.870 211 R HN 0.729 nan 8.270 nan 0.000 0.445 212 Y N 0.434 120.829 120.300 0.158 0.000 2.241 212 Y HA -0.291 4.258 4.550 -0.000 0.000 0.286 212 Y C 1.626 177.492 175.900 -0.057 0.000 1.166 212 Y CA 1.501 59.672 58.100 0.119 0.000 1.203 212 Y CB -0.138 38.524 38.460 0.337 0.000 0.977 212 Y HN -0.075 nan 8.280 nan 0.000 0.529 213 F N -1.312 118.618 119.950 -0.034 0.000 2.128 213 F HA -0.204 4.323 4.527 -0.000 0.000 0.295 213 F C 2.334 178.058 175.800 -0.127 0.000 1.100 213 F CA 1.562 59.492 58.000 -0.116 0.000 1.260 213 F CB -1.014 37.853 39.000 -0.221 0.000 1.009 213 F HN -0.171 nan 8.300 nan 0.000 0.476 214 V N 0.148 120.108 119.914 0.077 0.000 2.343 214 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 214 V C 2.439 178.442 176.094 -0.151 0.000 1.051 214 V CA 1.560 63.865 62.300 0.009 0.000 1.036 214 V CB -0.580 31.279 31.823 0.059 0.000 0.654 214 V HN 0.206 nan 8.190 nan 0.000 0.451 215 K N -0.316 119.878 120.400 -0.342 0.000 2.063 215 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 215 K C 2.063 178.221 176.600 -0.737 0.000 1.048 215 K CA 1.747 57.584 56.287 -0.749 0.000 0.928 215 K CB -0.807 30.751 32.500 -1.571 0.000 0.713 215 K HN 0.520 nan 8.250 nan 0.000 0.442 216 F N 1.937 121.467 119.950 -0.700 0.000 2.102 216 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 216 F C 2.007 177.634 175.800 -0.288 0.000 1.105 216 F CA 1.277 59.057 58.000 -0.367 0.000 1.239 216 F CB -0.356 38.424 39.000 -0.365 0.000 0.991 216 F HN -0.119 nan 8.300 nan 0.000 0.474 217 L N -0.035 120.878 121.223 -0.518 0.000 2.141 217 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 217 L C 2.111 178.670 176.870 -0.518 0.000 1.094 217 L CA 1.229 55.640 54.840 -0.716 0.000 0.763 217 L CB -0.810 40.646 42.059 -1.006 0.000 0.908 217 L HN 0.132 nan 8.230 nan 0.000 0.437 218 D N 0.245 120.486 120.400 -0.265 0.000 2.117 218 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 218 D C 2.246 178.523 176.300 -0.039 0.000 0.982 218 D CA 1.445 55.443 54.000 -0.003 0.000 0.828 218 D CB 0.008 40.813 40.800 0.008 0.000 0.967 218 D HN 0.299 nan 8.370 nan 0.000 0.464 219 A N 0.415 123.174 122.820 -0.100 0.000 1.858 219 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 219 A C 2.090 179.698 177.584 0.040 0.000 1.190 219 A CA 1.183 53.221 52.037 0.002 0.000 0.617 219 A CB -1.104 17.922 19.000 0.043 0.000 0.827 219 A HN 0.196 nan 8.150 nan 0.000 0.443 220 Y N -0.100 120.025 120.300 -0.291 0.000 2.293 220 Y HA -0.010 4.539 4.550 -0.000 0.000 0.291 220 Y C 2.845 178.752 175.900 0.012 0.000 1.137 220 Y CA 0.484 58.501 58.100 -0.140 0.000 1.202 220 Y CB -0.503 37.823 38.460 -0.223 0.000 0.990 220 Y HN 0.343 nan 8.280 nan 0.000 0.537 221 A N -0.002 122.882 122.820 0.107 0.000 1.902 221 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 221 A C 2.051 179.675 177.584 0.068 0.000 1.181 221 A CA 1.742 53.849 52.037 0.117 0.000 0.623 221 A CB -0.608 18.494 19.000 0.170 0.000 0.818 221 A HN 0.489 nan 8.150 nan 0.000 0.443 222 E N -0.897 119.321 120.200 0.029 0.000 2.209 222 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 222 E C 1.096 177.593 176.600 -0.171 0.000 0.993 222 E CA 1.039 57.401 56.400 -0.064 0.000 0.819 222 E CB -0.177 29.472 29.700 -0.085 0.000 0.745 222 E HN 0.707 nan 8.360 nan 0.000 0.477 223 H N 0.048 119.094 119.070 -0.040 0.000 2.517 223 H HA 0.162 4.718 4.556 -0.000 0.000 0.282 223 H C -0.142 175.253 175.328 0.113 0.000 1.023 223 H CA 0.255 56.297 56.048 -0.009 0.000 1.169 223 H CB 0.324 29.995 29.762 -0.152 0.000 1.454 223 H HN 0.037 nan 8.280 nan 0.000 0.556 224 K N 0.638 121.122 120.400 0.139 0.000 3.162 224 K HA -0.156 4.164 4.320 -0.000 0.000 0.268 224 K C -0.856 175.848 176.600 0.173 0.000 1.062 224 K CA 0.259 56.638 56.287 0.153 0.000 0.769 224 K CB -1.546 31.035 32.500 0.134 0.000 1.274 224 K HN 0.261 nan 8.250 nan 0.000 0.478 225 L N 1.299 122.596 121.223 0.123 0.000 2.439 225 L HA 0.304 4.644 4.340 -0.000 0.000 0.270 225 L C -0.120 176.810 176.870 0.100 0.000 0.972 225 L CA -0.898 53.978 54.840 0.059 0.000 0.836 225 L CB 1.807 43.900 42.059 0.057 0.000 1.255 225 L HN 0.027 nan 8.230 nan 0.000 0.404 226 Q N 2.458 122.273 119.800 0.025 0.000 2.266 226 Q HA 0.545 4.885 4.340 -0.000 0.000 0.261 226 Q C -1.066 174.915 176.000 -0.031 0.000 0.985 226 Q CA -0.537 55.321 55.803 0.092 0.000 0.873 226 Q CB 2.797 31.588 28.738 0.088 0.000 1.306 226 Q HN 0.294 nan 8.270 nan 0.000 0.447 227 F N 0.449 120.428 119.950 0.048 0.000 2.399 227 F HA 0.162 4.689 4.527 -0.000 0.000 0.334 227 F C 0.948 176.803 175.800 0.091 0.000 1.097 227 F CA -0.677 57.363 58.000 0.068 0.000 1.076 227 F CB 0.854 39.865 39.000 0.019 0.000 1.162 227 F HN 0.707 nan 8.300 nan 0.000 0.495 228 W N 3.543 124.884 121.300 0.069 0.000 2.453 228 W HA 0.484 5.143 4.660 -0.000 0.000 0.289 228 W C -0.256 176.269 176.519 0.010 0.000 1.215 228 W CA 0.907 58.254 57.345 0.003 0.000 1.297 228 W CB -0.068 29.363 29.460 -0.049 0.000 1.113 228 W HN 0.464 nan 8.180 nan 0.000 0.551 229 A N 0.101 122.707 122.820 -0.356 0.000 2.586 229 A HA 0.594 4.914 4.320 -0.000 0.000 0.290 229 A C -1.328 176.095 177.584 -0.268 0.000 1.086 229 A CA -0.220 51.437 52.037 -0.633 0.000 0.665 229 A CB 0.734 18.820 19.000 -1.524 0.000 1.279 229 A HN 0.632 nan 8.150 nan 0.000 0.423 230 V N -1.549 118.201 119.914 -0.274 0.000 3.007 230 V HA 0.946 5.066 4.120 -0.000 0.000 0.311 230 V C -0.074 175.924 176.094 -0.161 0.000 1.120 230 V CA 0.070 62.280 62.300 -0.150 0.000 0.980 230 V CB 1.362 33.161 31.823 -0.040 0.000 1.033 230 V HN 1.768 nan 8.190 nan 0.000 0.429 231 T N 0.295 114.790 114.554 -0.099 0.000 2.927 231 T HA 0.729 5.079 4.350 -0.000 0.000 0.281 231 T C 1.198 175.869 174.700 -0.049 0.000 0.998 231 T CA -0.010 62.021 62.100 -0.115 0.000 1.019 231 T CB 1.608 70.397 68.868 -0.132 0.000 1.061 231 T HN 1.628 nan 8.240 nan 0.000 0.518 232 A N 0.406 123.154 122.820 -0.121 0.000 2.015 232 A HA 0.289 4.608 4.320 -0.000 0.000 0.219 232 A C 0.864 178.414 177.584 -0.057 0.000 1.163 232 A CA 1.451 53.417 52.037 -0.119 0.000 0.646 232 A CB -0.766 18.131 19.000 -0.172 0.000 0.806 232 A HN 1.048 nan 8.150 nan 0.000 0.448 233 E N -1.834 118.276 120.200 -0.151 0.000 2.857 233 E HA 0.178 4.527 4.350 -0.000 0.000 0.309 233 E C -1.275 175.127 176.600 -0.331 0.000 1.113 233 E CA -0.377 55.912 56.400 -0.185 0.000 0.906 233 E CB -0.235 29.267 29.700 -0.331 0.000 1.191 233 E HN 0.184 nan 8.360 nan 0.000 0.449 234 N N 3.041 121.469 118.700 -0.453 0.000 2.483 234 N HA 0.106 4.846 4.740 -0.000 0.000 0.264 234 N C -0.684 174.479 175.510 -0.579 0.000 1.197 234 N CA 0.605 53.231 53.050 -0.707 0.000 0.927 234 N CB 0.450 37.992 38.487 -1.574 0.000 1.065 234 N HN 0.549 nan 8.380 nan 0.000 0.461 235 E N 1.789 121.654 120.200 -0.559 0.000 2.106 235 E HA -0.196 4.154 4.350 -0.000 0.000 0.175 235 E C -1.633 174.715 176.600 -0.420 0.000 1.448 235 E CA 0.206 56.306 56.400 -0.500 0.000 0.672 235 E CB -0.719 28.767 29.700 -0.356 0.000 1.057 235 E HN 0.703 nan 8.360 nan 0.000 0.321 236 P HA -0.246 nan 4.420 nan 0.000 0.218 236 P C 1.471 178.715 177.300 -0.094 0.000 1.146 236 P CA 1.848 64.843 63.100 -0.175 0.000 0.813 236 P CB 0.049 31.676 31.700 -0.123 0.000 0.778 237 S N -0.598 114.979 115.700 -0.206 0.000 2.507 237 S HA 0.034 4.504 4.470 -0.000 0.000 0.235 237 S C 2.111 176.578 174.600 -0.221 0.000 0.988 237 S CA 0.724 58.865 58.200 -0.099 0.000 0.944 237 S CB -1.015 62.117 63.200 -0.113 0.000 0.762 237 S HN 0.142 nan 8.310 nan 0.000 0.526 238 A N 1.906 124.479 122.820 -0.411 0.000 1.902 238 A HA 0.228 4.548 4.320 -0.000 0.000 0.217 238 A C 2.362 179.576 177.584 -0.617 0.000 1.181 238 A CA 1.324 52.888 52.037 -0.788 0.000 0.623 238 A CB -1.718 16.485 19.000 -1.329 0.000 0.818 238 A HN 0.690 nan 8.150 nan 0.000 0.443 239 G N -0.467 108.108 108.800 -0.375 0.000 2.586 239 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.215 239 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.215 239 G C 1.199 176.016 174.900 -0.137 0.000 1.128 239 G CA 0.789 45.758 45.100 -0.218 0.000 0.774 239 G HN 0.469 nan 8.290 nan 0.000 0.543 240 L N -0.226 120.928 121.223 -0.115 0.000 2.591 240 L HA 0.327 4.667 4.340 -0.000 0.000 0.228 240 L C 0.421 177.259 176.870 -0.052 0.000 1.133 240 L CA -0.096 54.711 54.840 -0.055 0.000 0.880 240 L CB -0.089 41.967 42.059 -0.005 0.000 1.033 240 L HN 0.086 nan 8.230 nan 0.000 0.450 241 L N 0.643 121.821 121.223 -0.075 0.000 2.275 241 L HA 0.264 4.604 4.340 -0.000 0.000 0.288 241 L C 0.645 177.517 176.870 0.003 0.000 1.046 241 L CA -0.421 54.404 54.840 -0.026 0.000 0.805 241 L CB 1.496 43.554 42.059 -0.002 0.000 1.193 241 L HN 0.083 nan 8.230 nan 0.000 0.426 242 S N 1.259 116.959 115.700 -0.001 0.000 2.549 242 S HA 0.448 4.918 4.470 -0.000 0.000 0.279 242 S C 1.135 175.738 174.600 0.005 0.000 1.321 242 S CA 0.065 58.263 58.200 -0.003 0.000 1.054 242 S CB 1.278 64.471 63.200 -0.011 0.000 0.899 242 S HN 1.055 nan 8.310 nan 0.000 0.497 243 G N 0.887 109.687 108.800 -0.000 0.000 2.176 243 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.253 243 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.253 243 G C -0.087 174.787 174.900 -0.043 0.000 0.979 243 G CA 0.143 45.229 45.100 -0.022 0.000 0.641 243 G HN 1.006 nan 8.290 nan 0.000 0.530 244 Y N 3.031 123.250 120.300 -0.134 0.000 2.865 244 Y HA 0.199 4.749 4.550 -0.000 0.000 0.338 244 Y C 0.196 175.969 175.900 -0.211 0.000 1.269 244 Y CA -0.374 57.597 58.100 -0.214 0.000 1.585 244 Y CB 0.855 39.158 38.460 -0.262 0.000 1.224 244 Y HN 0.130 nan 8.280 nan 0.000 0.554 245 P HA -0.170 nan 4.420 nan 0.000 0.218 245 P C -0.309 176.842 177.300 -0.248 0.000 1.149 245 P CA 1.510 64.355 63.100 -0.425 0.000 0.817 245 P CB -0.039 31.405 31.700 -0.426 0.000 0.785 246 F N -2.873 116.943 119.950 -0.224 0.000 2.764 246 F HA 0.670 5.197 4.527 -0.000 0.000 0.347 246 F C -0.379 175.631 175.800 0.350 0.000 1.151 246 F CA -2.180 55.874 58.000 0.091 0.000 1.021 246 F CB -0.423 38.552 39.000 -0.042 0.000 1.438 246 F HN -0.464 nan 8.300 nan 0.000 0.516 247 Q N 1.158 121.396 119.800 0.729 0.000 2.436 247 Q HA 0.330 4.670 4.340 -0.000 0.000 0.326 247 Q C -0.206 176.099 176.000 0.508 0.000 1.079 247 Q CA 0.859 56.966 55.803 0.508 0.000 1.049 247 Q CB -0.130 28.865 28.738 0.428 0.000 1.047 247 Q HN 0.875 nan 8.270 nan 0.000 0.386 248 C N 0.422 119.854 119.300 0.220 0.000 3.293 248 C HA 0.886 5.346 4.460 -0.000 0.000 0.362 248 C C -1.654 173.309 174.990 -0.045 0.000 1.539 248 C CA -1.260 57.787 59.018 0.048 0.000 1.201 248 C CB 0.941 28.605 27.740 -0.126 0.000 1.770 248 C HN 0.778 nan 8.230 nan 0.000 0.440 249 L N 1.771 122.939 121.223 -0.093 0.000 2.811 249 L HA 0.631 4.971 4.340 -0.000 0.000 0.251 249 L C 0.185 177.047 176.870 -0.012 0.000 0.971 249 L CA 0.677 55.457 54.840 -0.101 0.000 0.990 249 L CB 0.597 42.616 42.059 -0.065 0.000 1.320 249 L HN 1.495 nan 8.230 nan 0.000 0.473 250 G N 2.662 111.394 108.800 -0.113 0.000 2.414 250 G HA2 0.394 4.354 3.960 -0.000 0.000 0.236 250 G HA3 0.394 4.354 3.960 -0.000 0.000 0.236 250 G C -0.985 173.870 174.900 -0.074 0.000 1.293 250 G CA 0.263 45.331 45.100 -0.054 0.000 0.869 250 G HN 0.386 nan 8.290 nan 0.000 0.556 251 F N -0.327 119.578 119.950 -0.075 0.000 2.608 251 F HA 0.424 4.951 4.527 -0.000 0.000 0.309 251 F C 0.635 176.507 175.800 0.120 0.000 1.103 251 F CA -0.733 57.232 58.000 -0.058 0.000 0.954 251 F CB 2.310 41.285 39.000 -0.041 0.000 1.267 251 F HN 0.688 nan 8.300 nan 0.000 0.444 252 T N -0.327 114.379 114.554 0.253 0.000 2.927 252 T HA 0.363 4.713 4.350 -0.000 0.000 0.281 252 T C -2.032 172.469 174.700 -0.332 0.000 0.998 252 T CA -2.012 60.109 62.100 0.035 0.000 1.019 252 T CB 1.788 70.656 68.868 0.000 0.000 1.061 252 T HN 0.318 nan 8.240 nan 0.000 0.518 253 P HA -0.148 nan 4.420 nan 0.000 0.216 253 P C 0.972 177.920 177.300 -0.587 0.000 1.150 253 P CA 1.289 63.473 63.100 -1.528 0.000 0.843 253 P CB 0.187 30.853 31.700 -1.724 0.000 0.787 254 E N -1.254 118.743 120.200 -0.339 0.000 2.051 254 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 254 E C 2.304 178.916 176.600 0.020 0.000 0.991 254 E CA 1.014 57.328 56.400 -0.143 0.000 0.799 254 E CB -1.162 28.473 29.700 -0.108 0.000 0.748 254 E HN 0.331 nan 8.360 nan 0.000 0.449 255 H N 0.839 119.899 119.070 -0.016 0.000 2.319 255 H HA -0.136 4.420 4.556 -0.000 0.000 0.299 255 H C 2.100 177.646 175.328 0.364 0.000 1.092 255 H CA 2.116 58.249 56.048 0.142 0.000 1.302 255 H CB -0.165 29.661 29.762 0.107 0.000 1.373 255 H HN 0.236 nan 8.280 nan 0.000 0.497 256 Q N 0.317 120.395 119.800 0.463 0.000 2.061 256 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 256 Q C 2.630 178.775 176.000 0.241 0.000 0.984 256 Q CA 1.831 57.853 55.803 0.364 0.000 0.846 256 Q CB -0.037 28.809 28.738 0.180 0.000 0.902 256 Q HN 0.367 nan 8.270 nan 0.000 0.421 257 R N 0.129 120.680 120.500 0.085 0.000 2.097 257 R HA -0.203 4.137 4.340 -0.000 0.000 0.236 257 R C 1.492 177.842 176.300 0.084 0.000 1.135 257 R CA 2.221 58.336 56.100 0.026 0.000 0.934 257 R CB -0.360 29.910 30.300 -0.050 0.000 0.846 257 R HN 0.407 nan 8.270 nan 0.000 0.431 258 D N -0.171 120.310 120.400 0.135 0.000 2.178 258 D HA -0.158 4.482 4.640 -0.000 0.000 0.202 258 D C 1.682 178.119 176.300 0.229 0.000 0.974 258 D CA 0.804 54.885 54.000 0.136 0.000 0.841 258 D CB -0.379 40.479 40.800 0.095 0.000 0.953 258 D HN 0.232 nan 8.370 nan 0.000 0.478 259 F N 1.994 122.091 119.950 0.246 0.000 2.095 259 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 259 F C 2.081 177.953 175.800 0.121 0.000 1.104 259 F CA 1.004 59.197 58.000 0.321 0.000 1.232 259 F CB -0.517 38.809 39.000 0.544 0.000 0.987 259 F HN -0.156 nan 8.300 nan 0.000 0.475 260 I N 0.213 120.629 120.570 -0.257 0.000 2.202 260 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 260 I C 2.722 178.678 176.117 -0.269 0.000 1.091 260 I CA 1.127 62.166 61.300 -0.434 0.000 1.368 260 I CB -1.071 36.801 38.000 -0.213 0.000 1.058 260 I HN 0.226 nan 8.210 nan 0.000 0.410 261 A N 1.114 123.901 122.820 -0.055 0.000 1.851 261 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 261 A C 2.430 180.022 177.584 0.014 0.000 1.195 261 A CA 1.668 53.743 52.037 0.063 0.000 0.622 261 A CB -0.537 18.501 19.000 0.064 0.000 0.831 261 A HN 0.320 nan 8.150 nan 0.000 0.444 262 R N -1.196 119.299 120.500 -0.009 0.000 2.140 262 R HA 0.029 4.369 4.340 -0.000 0.000 0.213 262 R C 0.933 177.207 176.300 -0.043 0.000 1.059 262 R CA 1.283 57.384 56.100 0.001 0.000 1.000 262 R CB -0.041 30.285 30.300 0.044 0.000 0.910 262 R HN 0.586 nan 8.270 nan 0.000 0.455 263 D N -0.101 120.232 120.400 -0.111 0.000 3.234 263 D HA -0.044 4.596 4.640 -0.000 0.000 0.281 263 D C 1.752 177.810 176.300 -0.403 0.000 1.405 263 D CA -0.029 53.893 54.000 -0.130 0.000 1.115 263 D CB -0.432 40.480 40.800 0.186 0.000 1.198 263 D HN -0.082 nan 8.370 nan 0.000 0.388 264 L N 2.209 122.941 121.223 -0.819 0.000 1.990 264 L HA -0.052 4.288 4.340 -0.000 0.000 0.213 264 L C 2.261 178.680 176.870 -0.752 0.000 1.072 264 L CA 2.431 56.719 54.840 -0.920 0.000 0.755 264 L CB -1.206 40.052 42.059 -1.335 0.000 0.889 264 L HN 0.145 nan 8.230 nan 0.000 0.432 265 G N -0.723 107.555 108.800 -0.870 0.000 2.480 265 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 265 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 265 G C -0.590 173.538 174.900 -1.286 0.000 1.200 265 G CA 0.999 45.276 45.100 -1.371 0.000 0.782 265 G HN 0.381 nan 8.290 nan 0.000 0.554 266 P HA -0.075 nan 4.420 nan 0.000 0.215 266 P C 2.128 179.280 177.300 -0.246 0.000 1.157 266 P CA 2.114 64.969 63.100 -0.408 0.000 0.874 266 P CB -0.330 31.246 31.700 -0.207 0.000 0.790 267 T N -0.103 114.300 114.554 -0.251 0.000 2.652 267 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 267 T C 1.795 176.419 174.700 -0.127 0.000 1.039 267 T CA 1.244 63.255 62.100 -0.148 0.000 1.153 267 T CB -1.075 67.708 68.868 -0.142 0.000 0.863 267 T HN 0.042 nan 8.240 nan 0.000 0.428 268 L N 0.678 121.780 121.223 -0.203 0.000 1.994 268 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 268 L C 3.107 179.958 176.870 -0.033 0.000 1.071 268 L CA 1.386 56.152 54.840 -0.123 0.000 0.745 268 L CB -0.753 41.186 42.059 -0.200 0.000 0.892 268 L HN 0.267 nan 8.230 nan 0.000 0.431 269 A N -0.035 122.748 122.820 -0.061 0.000 1.978 269 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 269 A C 1.936 179.550 177.584 0.051 0.000 1.170 269 A CA 2.235 54.303 52.037 0.052 0.000 0.636 269 A CB -0.691 18.373 19.000 0.106 0.000 0.810 269 A HN 0.489 nan 8.150 nan 0.000 0.448 270 N N -0.448 118.255 118.700 0.006 0.000 2.383 270 N HA 0.015 4.755 4.740 -0.000 0.000 0.192 270 N C 0.502 176.025 175.510 0.021 0.000 1.141 270 N CA 0.739 53.794 53.050 0.008 0.000 0.851 270 N CB -0.077 38.406 38.487 -0.007 0.000 0.976 270 N HN 0.546 nan 8.380 nan 0.000 0.465 271 S N -2.361 113.363 115.700 0.040 0.000 2.768 271 S HA 0.242 4.712 4.470 -0.000 0.000 0.300 271 S C 1.271 175.872 174.600 0.001 0.000 1.122 271 S CA -0.129 58.080 58.200 0.015 0.000 0.995 271 S CB 0.609 63.828 63.200 0.032 0.000 1.195 271 S HN 0.222 nan 8.310 nan 0.000 0.547 272 T N -2.047 112.395 114.554 -0.187 0.000 3.118 272 T HA 0.048 4.397 4.350 -0.000 0.000 0.260 272 T C 0.567 174.945 174.700 -0.536 0.000 1.139 272 T CA 0.623 62.534 62.100 -0.315 0.000 1.085 272 T CB -0.649 67.974 68.868 -0.409 0.000 0.934 272 T HN 0.734 nan 8.240 nan 0.000 0.518 273 H N 0.877 119.884 119.070 -0.104 0.000 2.487 273 H HA 0.187 4.743 4.556 -0.000 0.000 0.290 273 H C 1.568 176.782 175.328 -0.190 0.000 1.081 273 H CA 0.305 56.261 56.048 -0.153 0.000 1.116 273 H CB -0.314 29.407 29.762 -0.069 0.000 1.560 273 H HN 0.782 nan 8.280 nan 0.000 0.548 274 H N -0.231 118.850 119.070 0.018 0.000 2.460 274 H HA -0.084 4.472 4.556 -0.000 0.000 0.297 274 H C 1.256 176.588 175.328 0.005 0.000 1.103 274 H CA 1.238 57.288 56.048 0.005 0.000 1.292 274 H CB -0.069 29.689 29.762 -0.007 0.000 1.376 274 H HN 0.071 nan 8.280 nan 0.000 0.531 275 N N 0.798 119.346 118.700 -0.254 0.000 2.494 275 N HA -0.005 4.735 4.740 -0.000 0.000 0.182 275 N C -0.127 175.349 175.510 -0.057 0.000 1.076 275 N CA 0.424 53.437 53.050 -0.062 0.000 0.908 275 N CB 0.217 38.644 38.487 -0.100 0.000 0.967 275 N HN 0.200 nan 8.380 nan 0.000 0.449 276 V N 3.146 123.026 119.914 -0.057 0.000 2.585 276 V HA -0.006 4.114 4.120 -0.000 0.000 0.296 276 V C 0.902 176.895 176.094 -0.168 0.000 1.035 276 V CA -0.112 62.140 62.300 -0.080 0.000 1.084 276 V CB 0.525 32.331 31.823 -0.029 0.000 0.953 276 V HN 0.107 nan 8.190 nan 0.000 0.483 277 R N 3.347 123.650 120.500 -0.327 0.000 2.531 277 R HA 0.504 4.844 4.340 -0.000 0.000 0.273 277 R C -0.568 175.527 176.300 -0.342 0.000 1.070 277 R CA -0.759 55.101 56.100 -0.400 0.000 1.112 277 R CB 1.020 30.897 30.300 -0.705 0.000 1.049 277 R HN 0.515 nan 8.270 nan 0.000 0.508 278 L N 2.966 124.061 121.223 -0.214 0.000 2.322 278 L HA 0.455 4.794 4.340 -0.000 0.000 0.281 278 L C -1.138 175.637 176.870 -0.159 0.000 1.014 278 L CA -0.306 54.413 54.840 -0.202 0.000 0.815 278 L CB 1.266 43.218 42.059 -0.178 0.000 1.247 278 L HN 0.426 nan 8.230 nan 0.000 0.421 279 L N 5.716 126.821 121.223 -0.197 0.000 2.329 279 L HA 0.580 4.919 4.340 -0.000 0.000 0.279 279 L C 0.199 176.985 176.870 -0.140 0.000 1.014 279 L CA -0.782 53.966 54.840 -0.154 0.000 0.814 279 L CB 1.741 43.689 42.059 -0.184 0.000 1.257 279 L HN 0.777 nan 8.230 nan 0.000 0.424 280 M N 1.597 121.129 119.600 -0.112 0.000 2.336 280 M HA 0.514 4.994 4.480 -0.000 0.000 0.256 280 M C 0.750 176.967 176.300 -0.139 0.000 1.176 280 M CA -0.316 54.924 55.300 -0.101 0.000 0.948 280 M CB 0.961 33.529 32.600 -0.052 0.000 1.393 280 M HN 0.458 nan 8.290 nan 0.000 0.528 281 L N 0.268 121.397 121.223 -0.158 0.000 3.572 281 L HA -0.381 3.959 4.340 -0.000 0.000 0.053 281 L C 0.500 177.067 176.870 -0.505 0.000 4.349 281 L CA 3.119 57.718 54.840 -0.402 0.000 0.629 281 L CB -1.931 39.931 42.059 -0.329 0.000 3.504 281 L HN 1.179 nan 8.230 nan 0.000 0.812 282 D N 0.160 120.315 120.400 -0.409 0.000 2.708 282 D HA -0.134 4.506 4.640 -0.000 0.000 0.236 282 D C -0.256 175.424 176.300 -1.034 0.000 1.146 282 D CA 1.375 55.069 54.000 -0.510 0.000 0.662 282 D CB -0.764 39.826 40.800 -0.351 0.000 1.059 282 D HN 0.717 nan 8.370 nan 0.000 0.428 283 D N -0.903 118.955 120.400 -0.904 0.000 2.652 283 D HA 0.221 4.861 4.640 -0.000 0.000 0.285 283 D C -0.368 175.661 176.300 -0.452 0.000 1.173 283 D CA -0.438 53.068 54.000 -0.825 0.000 0.981 283 D CB 0.864 41.222 40.800 -0.736 0.000 1.440 283 D HN 0.270 nan 8.370 nan 0.000 0.485 284 Q N 0.142 119.855 119.800 -0.145 0.000 2.333 284 Q HA 0.021 4.361 4.340 -0.000 0.000 0.299 284 Q C 1.001 177.028 176.000 0.045 0.000 1.067 284 Q CA 0.128 56.073 55.803 0.236 0.000 0.943 284 Q CB 0.795 29.855 28.738 0.536 0.000 1.233 284 Q HN 0.438 nan 8.270 nan 0.000 0.401 285 R N 2.419 122.921 120.500 0.003 0.000 2.241 285 R HA -0.108 4.232 4.340 -0.000 0.000 0.224 285 R C 1.400 177.570 176.300 -0.217 0.000 1.101 285 R CA 1.247 57.220 56.100 -0.211 0.000 0.995 285 R CB -0.365 29.711 30.300 -0.374 0.000 0.870 285 R HN 0.758 nan 8.270 nan 0.000 0.463 286 L N 0.906 122.018 121.223 -0.184 0.000 2.456 286 L HA -0.024 4.316 4.340 -0.000 0.000 0.224 286 L C 1.708 178.571 176.870 -0.012 0.000 1.148 286 L CA 0.675 55.456 54.840 -0.098 0.000 0.825 286 L CB -0.036 42.020 42.059 -0.005 0.000 0.937 286 L HN 0.300 nan 8.230 nan 0.000 0.450 287 L N -0.670 120.536 121.223 -0.029 0.000 2.599 287 L HA 0.037 4.377 4.340 -0.000 0.000 0.230 287 L C 0.507 177.449 176.870 0.121 0.000 1.141 287 L CA 0.083 54.942 54.840 0.033 0.000 0.877 287 L CB -0.018 41.896 42.059 -0.241 0.000 1.009 287 L HN 0.165 nan 8.230 nan 0.000 0.447 288 L N 0.345 121.594 121.223 0.044 0.000 2.352 288 L HA 0.295 4.635 4.340 -0.000 0.000 0.269 288 L C -1.202 175.723 176.870 0.091 0.000 1.034 288 L CA -1.571 53.319 54.840 0.083 0.000 0.806 288 L CB 1.309 43.380 42.059 0.019 0.000 1.244 288 L HN -0.217 nan 8.230 nan 0.000 0.447 289 P HA -0.137 nan 4.420 nan 0.000 0.231 289 P C 1.128 178.567 177.300 0.231 0.000 1.168 289 P CA 0.935 64.140 63.100 0.174 0.000 0.779 289 P CB 0.159 31.964 31.700 0.175 0.000 0.844 290 H N -0.263 118.889 119.070 0.136 0.000 2.325 290 H HA -0.194 4.362 4.556 -0.000 0.000 0.293 290 H C 1.538 176.949 175.328 0.138 0.000 1.106 290 H CA 2.112 58.237 56.048 0.129 0.000 1.247 290 H CB -1.094 28.740 29.762 0.121 0.000 1.359 290 H HN 0.086 nan 8.280 nan 0.000 0.488 291 W N 0.281 121.476 121.300 -0.174 0.000 2.363 291 W HA -0.022 4.638 4.660 -0.000 0.000 0.296 291 W C 2.898 179.277 176.519 -0.233 0.000 1.212 291 W CA 2.063 59.254 57.345 -0.257 0.000 1.260 291 W CB -0.720 28.638 29.460 -0.169 0.000 1.131 291 W HN 0.369 nan 8.180 nan 0.000 0.530 292 A N -0.061 122.783 122.820 0.040 0.000 1.898 292 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 292 A C 1.939 179.325 177.584 -0.329 0.000 1.181 292 A CA 1.777 53.689 52.037 -0.209 0.000 0.620 292 A CB -0.592 18.300 19.000 -0.180 0.000 0.819 292 A HN 0.260 nan 8.150 nan 0.000 0.442 293 K N -0.418 119.975 120.400 -0.010 0.000 1.991 293 K HA -0.111 4.209 4.320 -0.000 0.000 0.212 293 K C 1.938 178.527 176.600 -0.018 0.000 1.049 293 K CA 1.668 58.048 56.287 0.154 0.000 0.932 293 K CB -0.539 32.091 32.500 0.216 0.000 0.717 293 K HN 0.268 nan 8.250 nan 0.000 0.441 294 V N 1.089 120.908 119.914 -0.158 0.000 2.252 294 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 294 V C 2.303 178.290 176.094 -0.179 0.000 1.056 294 V CA 1.898 64.070 62.300 -0.213 0.000 1.022 294 V CB -0.506 31.061 31.823 -0.427 0.000 0.641 294 V HN 0.131 nan 8.190 nan 0.000 0.445 295 V N -0.552 119.235 119.914 -0.211 0.000 2.379 295 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 295 V C 2.161 178.161 176.094 -0.156 0.000 1.044 295 V CA 1.681 63.885 62.300 -0.162 0.000 1.036 295 V CB -0.511 31.234 31.823 -0.130 0.000 0.664 295 V HN 0.440 nan 8.190 nan 0.000 0.453 296 L N 0.643 121.711 121.223 -0.258 0.000 2.341 296 L HA -0.041 4.299 4.340 -0.000 0.000 0.214 296 L C 2.536 179.402 176.870 -0.007 0.000 1.115 296 L CA 1.443 56.128 54.840 -0.259 0.000 0.820 296 L CB -0.720 40.856 42.059 -0.804 0.000 0.944 296 L HN 0.546 nan 8.230 nan 0.000 0.452 297 T N -4.355 110.234 114.554 0.058 0.000 3.160 297 T HA -0.084 4.265 4.350 -0.000 0.000 0.257 297 T C 0.686 175.407 174.700 0.036 0.000 1.147 297 T CA -0.007 62.160 62.100 0.112 0.000 1.064 297 T CB -0.251 68.687 68.868 0.118 0.000 0.949 297 T HN 0.059 nan 8.240 nan 0.000 0.526 298 D N 2.677 123.076 120.400 -0.002 0.000 2.443 298 D HA 0.228 4.868 4.640 -0.000 0.000 0.221 298 D C -1.462 174.825 176.300 -0.021 0.000 1.097 298 D CA -2.622 51.369 54.000 -0.014 0.000 0.865 298 D CB 1.976 42.762 40.800 -0.024 0.000 1.034 298 D HN 0.051 nan 8.370 nan 0.000 0.511 299 P HA -0.135 nan 4.420 nan 0.000 0.221 299 P C 0.781 178.036 177.300 -0.074 0.000 1.145 299 P CA 0.721 63.794 63.100 -0.044 0.000 0.795 299 P CB 0.662 32.339 31.700 -0.038 0.000 0.775 300 E N -0.048 120.124 120.200 -0.047 0.000 2.208 300 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 300 E C 2.069 178.672 176.600 0.005 0.000 0.988 300 E CA 1.131 57.509 56.400 -0.037 0.000 0.828 300 E CB -0.670 29.034 29.700 0.007 0.000 0.763 300 E HN 0.275 nan 8.360 nan 0.000 0.478 301 A N 1.047 123.873 122.820 0.010 0.000 1.887 301 A HA 0.214 4.534 4.320 -0.000 0.000 0.212 301 A C 2.327 179.915 177.584 0.006 0.000 1.198 301 A CA 1.168 53.232 52.037 0.044 0.000 0.628 301 A CB -0.458 18.543 19.000 0.001 0.000 0.847 301 A HN 0.219 nan 8.150 nan 0.000 0.449 302 A N 1.146 123.935 122.820 -0.051 0.000 2.070 302 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 302 A C 1.967 179.492 177.584 -0.098 0.000 1.159 302 A CA 1.729 53.724 52.037 -0.070 0.000 0.656 302 A CB -0.596 18.368 19.000 -0.060 0.000 0.800 302 A HN 0.700 nan 8.150 nan 0.000 0.453 303 K N -1.874 118.410 120.400 -0.194 0.000 2.365 303 K HA -0.078 4.242 4.320 -0.000 0.000 0.199 303 K C 1.261 177.660 176.600 -0.334 0.000 1.045 303 K CA 1.410 57.516 56.287 -0.302 0.000 0.962 303 K CB -0.385 31.838 32.500 -0.463 0.000 0.759 303 K HN 0.599 nan 8.250 nan 0.000 0.469 304 Y N 1.141 121.402 120.300 -0.064 0.000 2.509 304 Y HA 0.136 4.685 4.550 -0.000 0.000 0.270 304 Y C 0.618 176.468 175.900 -0.084 0.000 1.103 304 Y CA -0.761 57.288 58.100 -0.084 0.000 1.278 304 Y CB 0.959 39.343 38.460 -0.126 0.000 1.087 304 Y HN -0.220 nan 8.280 nan 0.000 0.542 305 V N 1.907 121.854 119.914 0.054 0.000 2.455 305 V HA -0.062 4.058 4.120 -0.000 0.000 0.273 305 V C 0.979 177.089 176.094 0.027 0.000 1.045 305 V CA 0.054 62.355 62.300 0.002 0.000 0.976 305 V CB 0.801 32.593 31.823 -0.052 0.000 0.993 305 V HN 0.425 nan 8.190 nan 0.000 0.475 306 H N 3.719 122.748 119.070 -0.069 0.000 2.582 306 H HA 0.310 4.866 4.556 -0.000 0.000 0.269 306 H C 0.531 175.843 175.328 -0.027 0.000 0.962 306 H CA 0.918 56.938 56.048 -0.046 0.000 1.230 306 H CB 1.269 30.992 29.762 -0.065 0.000 1.445 306 H HN 0.722 nan 8.280 nan 0.000 0.528 307 G N 0.363 109.100 108.800 -0.105 0.000 2.576 307 G HA2 0.401 4.361 3.960 -0.000 0.000 0.290 307 G HA3 0.401 4.361 3.960 -0.000 0.000 0.290 307 G C -1.636 173.229 174.900 -0.059 0.000 1.442 307 G CA -0.752 44.283 45.100 -0.109 0.000 0.792 307 G HN 0.125 nan 8.290 nan 0.000 0.491 308 I N 1.563 122.118 120.570 -0.024 0.000 2.328 308 I HA 0.519 4.689 4.170 -0.000 0.000 0.287 308 I C 0.711 176.836 176.117 0.014 0.000 1.012 308 I CA -0.614 60.666 61.300 -0.033 0.000 1.195 308 I CB 1.678 39.657 38.000 -0.035 0.000 1.350 308 I HN 0.605 nan 8.210 nan 0.000 0.464 309 A N 7.019 129.830 122.820 -0.014 0.000 2.328 309 A HA 0.702 5.022 4.320 -0.000 0.000 0.284 309 A C -0.115 177.449 177.584 -0.033 0.000 1.160 309 A CA -0.405 51.670 52.037 0.062 0.000 0.818 309 A CB 0.647 19.676 19.000 0.047 0.000 1.087 309 A HN 0.606 nan 8.150 nan 0.000 0.504 310 V N 0.865 120.787 119.914 0.012 0.000 2.960 310 V HA 0.715 4.834 4.120 -0.000 0.000 0.315 310 V C -0.413 175.716 176.094 0.058 0.000 1.087 310 V CA -0.784 61.483 62.300 -0.055 0.000 0.982 310 V CB 1.288 33.069 31.823 -0.071 0.000 1.039 310 V HN 0.961 nan 8.190 nan 0.000 0.437 311 H N 1.438 120.400 119.070 -0.181 0.000 2.771 311 H HA 0.606 5.162 4.556 -0.000 0.000 0.367 311 H C -1.597 173.678 175.328 -0.088 0.000 1.172 311 H CA -0.694 55.185 56.048 -0.282 0.000 1.186 311 H CB 2.560 32.093 29.762 -0.381 0.000 1.790 311 H HN 0.805 nan 8.280 nan 0.000 0.556 312 W N 1.513 122.478 121.300 -0.558 0.000 3.363 312 W HA 0.185 4.844 4.660 -0.000 0.000 0.306 312 W C -2.024 174.087 176.519 -0.680 0.000 1.253 312 W CA -0.656 56.383 57.345 -0.510 0.000 1.195 312 W CB 1.874 31.210 29.460 -0.208 0.000 1.366 312 W HN 0.603 nan 8.180 nan 0.000 0.551 313 Y N 5.168 124.633 120.300 -1.391 0.000 2.717 313 Y HA 0.184 4.734 4.550 -0.000 0.000 0.329 313 Y C 1.367 176.983 175.900 -0.473 0.000 1.017 313 Y CA -0.583 57.054 58.100 -0.772 0.000 1.275 313 Y CB 0.422 38.392 38.460 -0.817 0.000 1.109 313 Y HN 0.227 nan 8.280 nan 0.000 0.511 314 L N 0.933 122.129 121.223 -0.045 0.000 2.151 314 L HA -0.303 4.037 4.340 -0.000 0.000 0.215 314 L C 1.183 178.172 176.870 0.197 0.000 1.084 314 L CA 1.471 56.415 54.840 0.173 0.000 0.764 314 L CB -0.193 41.972 42.059 0.178 0.000 0.891 314 L HN 0.641 nan 8.230 nan 0.000 0.435 315 D N -0.492 119.991 120.400 0.137 0.000 2.348 315 D HA -0.036 4.604 4.640 -0.000 0.000 0.216 315 D C 0.581 176.798 176.300 -0.138 0.000 0.970 315 D CA 0.837 54.801 54.000 -0.060 0.000 0.889 315 D CB 0.029 40.660 40.800 -0.283 0.000 0.912 315 D HN 0.226 nan 8.370 nan 0.000 0.524 316 F N 0.311 120.317 119.950 0.093 0.000 2.497 316 F HA 0.399 4.926 4.527 -0.000 0.000 0.331 316 F C 0.587 176.667 175.800 0.467 0.000 1.060 316 F CA -1.043 57.088 58.000 0.217 0.000 0.989 316 F CB 1.150 40.224 39.000 0.123 0.000 1.245 316 F HN -0.311 nan 8.300 nan 0.000 0.486 317 L N 1.312 122.912 121.223 0.628 0.000 2.357 317 L HA 0.733 5.073 4.340 -0.000 0.000 0.273 317 L C -0.396 176.719 176.870 0.407 0.000 1.080 317 L CA -0.590 54.515 54.840 0.442 0.000 0.803 317 L CB 1.503 43.725 42.059 0.270 0.000 1.174 317 L HN 0.805 nan 8.230 nan 0.000 0.443 318 A N 4.100 126.968 122.820 0.081 0.000 3.024 318 A HA 0.316 4.636 4.320 -0.000 0.000 0.251 318 A C -2.514 174.893 177.584 -0.295 0.000 1.267 318 A CA -0.782 51.094 52.037 -0.268 0.000 1.050 318 A CB -0.350 18.009 19.000 -1.068 0.000 1.400 318 A HN 0.441 nan 8.150 nan 0.000 0.756 319 P HA -0.031 nan 4.420 nan 0.000 0.260 319 P C 1.121 178.247 177.300 -0.291 0.000 1.147 319 P CA 1.218 64.217 63.100 -0.169 0.000 0.758 319 P CB 0.641 32.286 31.700 -0.092 0.000 0.744 320 A N 4.496 127.057 122.820 -0.432 0.000 1.929 320 A HA -0.150 4.169 4.320 -0.000 0.000 0.216 320 A C 2.238 179.421 177.584 -0.667 0.000 1.176 320 A CA 1.482 53.116 52.037 -0.672 0.000 0.628 320 A CB -0.666 17.681 19.000 -1.088 0.000 0.816 320 A HN 0.561 nan 8.150 nan 0.000 0.444 321 K N -0.059 120.011 120.400 -0.550 0.000 2.002 321 K HA -0.091 4.229 4.320 -0.000 0.000 0.209 321 K C 2.064 178.642 176.600 -0.037 0.000 1.048 321 K CA 1.268 57.482 56.287 -0.122 0.000 0.930 321 K CB -0.343 32.205 32.500 0.081 0.000 0.714 321 K HN 0.333 nan 8.250 nan 0.000 0.438 322 A N 0.360 123.141 122.820 -0.064 0.000 2.125 322 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 322 A C 1.878 179.444 177.584 -0.030 0.000 1.156 322 A CA 2.147 54.168 52.037 -0.028 0.000 0.671 322 A CB -0.613 18.367 19.000 -0.034 0.000 0.794 322 A HN 0.687 nan 8.150 nan 0.000 0.459 323 T N -3.703 110.801 114.554 -0.082 0.000 3.499 323 T HA 0.205 4.555 4.350 -0.000 0.000 0.227 323 T C 1.607 176.292 174.700 -0.025 0.000 0.946 323 T CA 0.379 62.435 62.100 -0.075 0.000 1.368 323 T CB -0.477 68.286 68.868 -0.174 0.000 1.227 323 T HN -0.008 nan 8.240 nan 0.000 0.398 324 L N 2.031 123.215 121.223 -0.065 0.000 2.046 324 L HA 0.151 4.491 4.340 -0.000 0.000 0.208 324 L C 3.004 179.997 176.870 0.205 0.000 1.077 324 L CA 2.316 57.186 54.840 0.049 0.000 0.747 324 L CB -2.059 40.009 42.059 0.014 0.000 0.896 324 L HN 0.632 nan 8.230 nan 0.000 0.432 325 G N -0.541 108.390 108.800 0.219 0.000 2.433 325 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.216 325 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.216 325 G C 1.564 176.610 174.900 0.244 0.000 1.186 325 G CA 0.890 46.213 45.100 0.371 0.000 0.779 325 G HN 0.337 nan 8.290 nan 0.000 0.543 326 E N 0.305 120.595 120.200 0.151 0.000 2.085 326 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 326 E C 2.708 179.380 176.600 0.121 0.000 0.994 326 E CA 1.698 58.165 56.400 0.112 0.000 0.801 326 E CB -0.675 29.073 29.700 0.082 0.000 0.743 326 E HN 0.337 nan 8.360 nan 0.000 0.453 327 T N -0.826 113.822 114.554 0.157 0.000 2.759 327 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 327 T C 1.543 176.369 174.700 0.210 0.000 1.042 327 T CA 1.666 63.895 62.100 0.216 0.000 1.140 327 T CB -0.551 68.427 68.868 0.182 0.000 0.864 327 T HN 0.394 nan 8.240 nan 0.000 0.455 328 H N 1.158 120.262 119.070 0.057 0.000 2.389 328 H HA 0.071 4.627 4.556 -0.000 0.000 0.299 328 H C 2.469 177.742 175.328 -0.093 0.000 1.081 328 H CA 1.693 57.698 56.048 -0.073 0.000 1.345 328 H CB -0.069 29.467 29.762 -0.376 0.000 1.393 328 H HN 0.224 nan 8.280 nan 0.000 0.520 329 R N 0.161 120.614 120.500 -0.078 0.000 2.070 329 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 329 R C 2.230 178.383 176.300 -0.245 0.000 1.138 329 R CA 1.887 57.902 56.100 -0.142 0.000 0.936 329 R CB -0.407 29.874 30.300 -0.032 0.000 0.839 329 R HN 0.404 nan 8.270 nan 0.000 0.429 330 L N -0.403 120.673 121.223 -0.245 0.000 2.079 330 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 330 L C 0.547 176.800 176.870 -1.027 0.000 1.081 330 L CA 1.151 55.635 54.840 -0.594 0.000 0.752 330 L CB -0.056 41.676 42.059 -0.545 0.000 0.896 330 L HN 0.181 nan 8.230 nan 0.000 0.433 331 F N -1.286 118.592 119.950 -0.120 0.000 2.593 331 F HA 0.284 4.811 4.527 -0.000 0.000 0.336 331 F C -1.527 174.149 175.800 -0.206 0.000 1.491 331 F CA -1.663 56.261 58.000 -0.125 0.000 1.114 331 F CB 0.090 39.048 39.000 -0.071 0.000 1.468 331 F HN -0.175 nan 8.300 nan 0.000 0.579 332 P HA -0.191 nan 4.420 nan 0.000 0.221 332 P C 0.277 177.475 177.300 -0.169 0.000 1.141 332 P CA 1.477 64.281 63.100 -0.494 0.000 0.794 332 P CB 0.343 31.766 31.700 -0.461 0.000 0.764 333 N N -0.967 117.702 118.700 -0.051 0.000 2.214 333 N HA 0.052 4.792 4.740 -0.000 0.000 0.214 333 N C -0.159 175.351 175.510 0.000 0.000 1.132 333 N CA 0.344 53.391 53.050 -0.005 0.000 0.856 333 N CB 0.398 38.883 38.487 -0.002 0.000 1.020 333 N HN 0.081 nan 8.380 nan 0.000 0.509 334 T N 2.351 116.916 114.554 0.018 0.000 2.842 334 T HA 0.312 4.662 4.350 -0.000 0.000 0.308 334 T C 0.566 175.268 174.700 0.004 0.000 1.041 334 T CA -0.765 61.319 62.100 -0.026 0.000 0.964 334 T CB 0.855 69.716 68.868 -0.012 0.000 0.972 334 T HN 0.130 nan 8.240 nan 0.000 0.460 335 M N 3.150 122.722 119.600 -0.048 0.000 2.252 335 M HA 0.324 4.804 4.480 -0.000 0.000 0.329 335 M C -0.910 175.449 176.300 0.098 0.000 1.101 335 M CA 0.430 55.759 55.300 0.048 0.000 1.117 335 M CB -0.188 32.432 32.600 0.034 0.000 1.563 335 M HN 0.371 nan 8.290 nan 0.000 0.445 336 L N 3.857 125.175 121.223 0.158 0.000 2.296 336 L HA 0.659 4.999 4.340 -0.000 0.000 0.286 336 L C -1.117 175.879 176.870 0.210 0.000 1.023 336 L CA -0.307 54.626 54.840 0.155 0.000 0.812 336 L CB 1.124 43.270 42.059 0.143 0.000 1.223 336 L HN 0.827 nan 8.230 nan 0.000 0.421 337 F N 2.740 122.708 119.950 0.031 0.000 2.556 337 F HA 0.708 5.235 4.527 -0.000 0.000 0.314 337 F C -0.305 175.476 175.800 -0.032 0.000 1.106 337 F CA -0.665 57.355 58.000 0.032 0.000 0.911 337 F CB 1.578 40.651 39.000 0.121 0.000 1.190 337 F HN 0.425 nan 8.300 nan 0.000 0.448 338 A N 3.252 125.661 122.820 -0.684 0.000 2.269 338 A HA 0.462 4.782 4.320 -0.000 0.000 0.302 338 A C 0.341 177.556 177.584 -0.615 0.000 1.266 338 A CA 0.167 51.865 52.037 -0.564 0.000 0.894 338 A CB 0.131 18.712 19.000 -0.698 0.000 1.147 338 A HN 0.955 nan 8.150 nan 0.000 0.537 339 S N 1.188 116.774 115.700 -0.190 0.000 2.524 339 S HA 0.277 4.747 4.470 -0.000 0.000 0.215 339 S C 0.252 174.601 174.600 -0.419 0.000 0.986 339 S CA 0.194 58.363 58.200 -0.051 0.000 0.911 339 S CB 0.110 63.438 63.200 0.214 0.000 0.805 339 S HN 0.801 nan 8.310 nan 0.000 0.501 340 E N -0.291 119.464 120.200 -0.741 0.000 2.381 340 E HA 0.603 4.953 4.350 -0.000 0.000 0.286 340 E C -1.925 174.144 176.600 -0.885 0.000 0.960 340 E CA -0.500 55.355 56.400 -0.908 0.000 0.793 340 E CB 1.829 30.651 29.700 -1.462 0.000 1.225 340 E HN 0.313 nan 8.360 nan 0.000 0.420 341 A N 2.235 124.603 122.820 -0.754 0.000 2.454 341 A HA 0.845 5.165 4.320 -0.000 0.000 0.302 341 A C -1.328 176.062 177.584 -0.323 0.000 1.079 341 A CA -0.516 51.117 52.037 -0.674 0.000 0.731 341 A CB 1.833 20.228 19.000 -1.008 0.000 1.299 341 A HN 0.610 nan 8.150 nan 0.000 0.413 342 C N 0.431 119.599 119.300 -0.220 0.000 2.985 342 C HA 0.820 5.280 4.460 -0.000 0.000 0.314 342 C C -0.904 174.175 174.990 0.149 0.000 1.215 342 C CA -0.233 58.807 59.018 0.036 0.000 1.414 342 C CB 1.507 29.260 27.740 0.022 0.000 1.842 342 C HN 1.196 nan 8.230 nan 0.000 0.477 343 V N 0.281 120.328 119.914 0.222 0.000 2.971 343 V HA 0.953 5.073 4.120 -0.000 0.000 0.309 343 V C 0.399 176.551 176.094 0.097 0.000 1.130 343 V CA 0.098 62.497 62.300 0.165 0.000 0.964 343 V CB 1.028 32.970 31.823 0.200 0.000 1.029 343 V HN 1.866 nan 8.190 nan 0.000 0.427 344 G N 2.131 110.926 108.800 -0.007 0.000 2.182 344 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.248 344 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.248 344 G C 0.509 175.393 174.900 -0.026 0.000 1.042 344 G CA 0.533 45.590 45.100 -0.072 0.000 0.775 344 G HN 1.085 nan 8.290 nan 0.000 0.501 345 S N -0.491 115.214 115.700 0.009 0.000 2.387 345 S HA 0.126 4.596 4.470 -0.000 0.000 0.221 345 S C 1.265 175.872 174.600 0.012 0.000 1.041 345 S CA 0.702 58.959 58.200 0.094 0.000 0.959 345 S CB 0.134 63.484 63.200 0.250 0.000 0.843 345 S HN 0.629 nan 8.310 nan 0.000 0.488 346 K N 2.265 122.573 120.400 -0.152 0.000 2.511 346 K HA -0.027 4.293 4.320 -0.000 0.000 0.280 346 K C 1.014 177.388 176.600 -0.377 0.000 1.008 346 K CA -0.031 56.074 56.287 -0.303 0.000 1.050 346 K CB 0.135 32.162 32.500 -0.787 0.000 0.889 346 K HN 0.378 nan 8.250 nan 0.000 0.484 347 F N 3.479 123.356 119.950 -0.121 0.000 2.141 347 F HA -0.255 4.271 4.527 -0.000 0.000 0.300 347 F C 1.472 177.277 175.800 0.008 0.000 1.079 347 F CA 0.965 58.953 58.000 -0.020 0.000 1.264 347 F CB -0.490 38.557 39.000 0.079 0.000 1.011 347 F HN 0.679 nan 8.300 nan 0.000 0.487 348 W N 1.549 122.239 121.300 -1.016 0.000 2.770 348 W HA 0.276 4.935 4.660 -0.000 0.000 0.256 348 W C -0.207 176.153 176.519 -0.265 0.000 1.291 348 W CA -0.202 56.758 57.345 -0.640 0.000 1.396 348 W CB -1.334 27.640 29.460 -0.810 0.000 1.114 348 W HN 0.137 nan 8.180 nan 0.000 0.637 349 E N 2.663 122.416 120.200 -0.745 0.000 2.316 349 E HA 0.065 4.415 4.350 -0.000 0.000 0.275 349 E C 0.001 176.480 176.600 -0.203 0.000 1.029 349 E CA -0.119 55.966 56.400 -0.526 0.000 0.871 349 E CB 0.755 30.020 29.700 -0.726 0.000 1.022 349 E HN 0.110 nan 8.360 nan 0.000 0.418 350 Q N 1.776 121.518 119.800 -0.097 0.000 2.300 350 Q HA 0.004 4.343 4.340 -0.000 0.000 0.280 350 Q C 0.806 176.770 176.000 -0.060 0.000 1.033 350 Q CA -0.112 55.668 55.803 -0.038 0.000 0.903 350 Q CB 0.776 29.502 28.738 -0.020 0.000 1.195 350 Q HN 0.524 nan 8.270 nan 0.000 0.386 351 S N 1.245 116.947 115.700 0.002 0.000 2.365 351 S HA -0.105 4.364 4.470 -0.000 0.000 0.221 351 S C 0.820 175.413 174.600 -0.011 0.000 1.037 351 S CA 0.880 59.106 58.200 0.044 0.000 1.060 351 S CB 0.198 63.481 63.200 0.138 0.000 0.974 351 S HN 0.466 nan 8.310 nan 0.000 0.427 352 V N 1.812 121.694 119.914 -0.053 0.000 2.459 352 V HA 0.434 4.554 4.120 -0.000 0.000 0.295 352 V C -0.052 175.923 176.094 -0.198 0.000 1.029 352 V CA -0.510 61.728 62.300 -0.103 0.000 0.874 352 V CB 1.539 33.306 31.823 -0.093 0.000 0.985 352 V HN 0.217 nan 8.190 nan 0.000 0.438 353 R N 4.543 124.856 120.500 -0.311 0.000 2.443 353 R HA 0.429 4.769 4.340 -0.000 0.000 0.287 353 R C -0.909 175.096 176.300 -0.490 0.000 1.425 353 R CA -0.605 55.078 56.100 -0.696 0.000 1.300 353 R CB 1.079 30.855 30.300 -0.872 0.000 1.129 353 R HN 0.634 nan 8.270 nan 0.000 0.577 354 L N 2.284 123.346 121.223 -0.270 0.000 2.745 354 L HA -0.059 4.281 4.340 -0.000 0.000 0.273 354 L C 1.263 178.191 176.870 0.097 0.000 1.156 354 L CA 0.997 55.733 54.840 -0.174 0.000 0.982 354 L CB 0.202 41.901 42.059 -0.601 0.000 1.295 354 L HN 0.994 nan 8.230 nan 0.000 0.483 355 G N 1.994 110.848 108.800 0.091 0.000 2.141 355 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.231 355 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.231 355 G C 0.352 175.386 174.900 0.223 0.000 0.984 355 G CA 0.150 45.378 45.100 0.212 0.000 0.660 355 G HN 0.645 nan 8.290 nan 0.000 0.525 356 S N -0.296 115.452 115.700 0.081 0.000 2.515 356 S HA 0.251 4.720 4.470 -0.000 0.000 0.285 356 S C 1.207 175.890 174.600 0.137 0.000 1.265 356 S CA 0.522 58.758 58.200 0.061 0.000 1.079 356 S CB 0.069 63.198 63.200 -0.119 0.000 0.877 356 S HN 0.454 nan 8.310 nan 0.000 0.493 357 W N 4.317 125.623 121.300 0.010 0.000 2.494 357 W HA -0.059 4.600 4.660 -0.000 0.000 0.286 357 W C 0.996 177.487 176.519 -0.047 0.000 1.218 357 W CA 0.965 58.317 57.345 0.011 0.000 1.313 357 W CB -0.299 29.160 29.460 -0.003 0.000 1.105 357 W HN 0.791 nan 8.180 nan 0.000 0.561 358 D N 0.019 120.421 120.400 0.003 0.000 2.133 358 D HA -0.221 4.419 4.640 -0.000 0.000 0.195 358 D C 2.262 178.477 176.300 -0.142 0.000 0.997 358 D CA 1.995 55.960 54.000 -0.059 0.000 0.840 358 D CB -0.208 40.596 40.800 0.006 0.000 0.947 358 D HN 0.071 nan 8.370 nan 0.000 0.452 359 R N -0.121 120.300 120.500 -0.132 0.000 2.120 359 R HA -0.015 4.324 4.340 -0.000 0.000 0.234 359 R C 2.325 178.488 176.300 -0.228 0.000 1.123 359 R CA 1.108 57.138 56.100 -0.117 0.000 0.975 359 R CB -0.407 29.831 30.300 -0.104 0.000 0.866 359 R HN 0.200 nan 8.270 nan 0.000 0.446 360 G N 1.334 109.843 108.800 -0.485 0.000 2.434 360 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.214 360 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.214 360 G C 1.477 175.714 174.900 -1.105 0.000 1.202 360 G CA 0.570 45.127 45.100 -0.906 0.000 0.788 360 G HN 0.104 nan 8.290 nan 0.000 0.539 361 M N 0.153 119.090 119.600 -1.104 0.000 2.108 361 M HA -0.223 4.257 4.480 -0.000 0.000 0.257 361 M C 2.737 178.961 176.300 -0.127 0.000 1.071 361 M CA 1.723 56.729 55.300 -0.490 0.000 1.093 361 M CB -0.575 31.878 32.600 -0.245 0.000 1.345 361 M HN 0.317 nan 8.290 nan 0.000 0.403 362 Q N -0.809 118.950 119.800 -0.068 0.000 2.084 362 Q HA -0.185 4.154 4.340 -0.000 0.000 0.202 362 Q C 1.944 178.061 176.000 0.196 0.000 0.978 362 Q CA 1.542 57.416 55.803 0.118 0.000 0.844 362 Q CB -0.209 28.618 28.738 0.149 0.000 0.898 362 Q HN 0.477 nan 8.270 nan 0.000 0.426 363 Y N 0.812 121.077 120.300 -0.058 0.000 2.114 363 Y HA -0.261 4.289 4.550 -0.000 0.000 0.284 363 Y C 2.865 178.620 175.900 -0.241 0.000 1.143 363 Y CA 1.618 59.670 58.100 -0.080 0.000 1.135 363 Y CB -0.557 37.860 38.460 -0.072 0.000 0.980 363 Y HN 0.181 nan 8.280 nan 0.000 0.499 364 S N -1.254 114.484 115.700 0.063 0.000 2.383 364 S HA -0.250 4.220 4.470 -0.000 0.000 0.227 364 S C 2.024 176.621 174.600 -0.005 0.000 1.026 364 S CA 1.402 59.633 58.200 0.051 0.000 0.981 364 S CB -0.992 62.512 63.200 0.508 0.000 0.818 364 S HN 0.637 nan 8.310 nan 0.000 0.472 365 H N 1.137 120.216 119.070 0.015 0.000 2.422 365 H HA -0.032 4.524 4.556 -0.000 0.000 0.298 365 H C 2.235 177.558 175.328 -0.009 0.000 1.098 365 H CA 1.570 57.638 56.048 0.033 0.000 1.315 365 H CB -0.235 29.562 29.762 0.058 0.000 1.382 365 H HN 0.556 nan 8.280 nan 0.000 0.523 366 S N -0.208 115.432 115.700 -0.101 0.000 2.395 366 S HA -0.013 4.457 4.470 -0.000 0.000 0.225 366 S C 2.276 176.743 174.600 -0.222 0.000 1.027 366 S CA 0.596 58.749 58.200 -0.078 0.000 0.965 366 S CB -0.117 63.171 63.200 0.146 0.000 0.812 366 S HN 0.417 nan 8.310 nan 0.000 0.482 367 I N 1.199 121.396 120.570 -0.623 0.000 2.353 367 I HA -0.080 4.090 4.170 -0.000 0.000 0.248 367 I C 2.085 177.903 176.117 -0.499 0.000 1.119 367 I CA 0.916 61.668 61.300 -0.915 0.000 1.417 367 I CB -0.258 36.770 38.000 -1.619 0.000 1.078 367 I HN 0.314 nan 8.210 nan 0.000 0.421 368 I N 0.175 120.529 120.570 -0.361 0.000 2.163 368 I HA -0.268 3.902 4.170 -0.000 0.000 0.240 368 I C 2.541 178.585 176.117 -0.121 0.000 1.081 368 I CA 1.540 62.769 61.300 -0.117 0.000 1.353 368 I CB -0.662 37.347 38.000 0.015 0.000 1.054 368 I HN 0.200 nan 8.210 nan 0.000 0.407 369 T N 0.716 115.159 114.554 -0.185 0.000 2.720 369 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 369 T C 1.757 176.476 174.700 0.032 0.000 1.037 369 T CA 1.490 63.544 62.100 -0.077 0.000 1.144 369 T CB -0.402 68.355 68.868 -0.185 0.000 0.864 369 T HN 0.340 nan 8.240 nan 0.000 0.444 370 N N 0.888 119.580 118.700 -0.014 0.000 2.120 370 N HA -0.008 4.731 4.740 -0.000 0.000 0.188 370 N C 1.905 177.415 175.510 0.001 0.000 1.024 370 N CA 1.011 54.082 53.050 0.035 0.000 0.852 370 N CB -0.256 38.308 38.487 0.127 0.000 1.003 370 N HN 0.354 nan 8.380 nan 0.000 0.424 371 L N 0.940 122.136 121.223 -0.046 0.000 2.141 371 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 371 L C 2.212 178.970 176.870 -0.188 0.000 1.094 371 L CA 0.535 55.334 54.840 -0.069 0.000 0.763 371 L CB -0.230 41.824 42.059 -0.009 0.000 0.908 371 L HN 0.143 nan 8.230 nan 0.000 0.437 372 L N -1.602 119.499 121.223 -0.204 0.000 2.291 372 L HA -0.152 4.188 4.340 -0.000 0.000 0.214 372 L C 0.708 177.120 176.870 -0.762 0.000 1.120 372 L CA 0.797 55.376 54.840 -0.435 0.000 0.799 372 L CB -0.076 41.788 42.059 -0.325 0.000 0.925 372 L HN 0.240 nan 8.230 nan 0.000 0.446 373 Y N -0.674 119.401 120.300 -0.375 0.000 2.781 373 Y HA 0.215 4.765 4.550 -0.000 0.000 0.326 373 Y C 0.497 176.190 175.900 -0.346 0.000 1.019 373 Y CA -0.732 57.111 58.100 -0.428 0.000 1.372 373 Y CB -0.624 37.742 38.460 -0.156 0.000 1.260 373 Y HN 0.148 nan 8.280 nan 0.000 0.546 374 H N -3.277 115.704 119.070 -0.147 0.000 3.882 374 H HA -0.166 4.390 4.556 -0.000 0.000 0.165 374 H C 0.252 175.563 175.328 -0.029 0.000 0.896 374 H CA 0.649 56.610 56.048 -0.146 0.000 1.243 374 H CB -1.570 28.006 29.762 -0.309 0.000 0.958 374 H HN 0.122 nan 8.280 nan 0.000 0.400 375 V N 3.047 123.006 119.914 0.074 0.000 2.655 375 V HA 0.017 4.137 4.120 -0.000 0.000 0.300 375 V C 2.058 178.167 176.094 0.025 0.000 1.044 375 V CA 0.826 63.157 62.300 0.053 0.000 1.095 375 V CB 1.446 33.275 31.823 0.009 0.000 0.952 375 V HN 0.357 nan 8.190 nan 0.000 0.485 376 V N 1.627 121.575 119.914 0.057 0.000 3.647 376 V HA 0.622 4.742 4.120 -0.000 0.000 0.279 376 V C 0.716 176.760 176.094 -0.083 0.000 1.314 376 V CA 0.855 63.184 62.300 0.049 0.000 1.125 376 V CB -0.336 31.578 31.823 0.151 0.000 0.907 376 V HN 0.955 nan 8.190 nan 0.000 0.434 377 G N -1.323 107.306 108.800 -0.285 0.000 2.646 377 G HA2 0.480 4.440 3.960 -0.000 0.000 0.291 377 G HA3 0.480 4.440 3.960 -0.000 0.000 0.291 377 G C -2.605 171.789 174.900 -0.843 0.000 1.445 377 G CA -0.663 44.032 45.100 -0.675 0.000 0.814 377 G HN 0.279 nan 8.290 nan 0.000 0.495 378 W N 1.299 121.970 121.300 -1.048 0.000 2.802 378 W HA 0.585 5.245 4.660 -0.000 0.000 0.331 378 W C -0.666 175.556 176.519 -0.495 0.000 1.021 378 W CA -0.404 56.528 57.345 -0.687 0.000 1.259 378 W CB 2.157 31.384 29.460 -0.387 0.000 1.323 378 W HN 0.545 nan 8.180 nan 0.000 0.432 379 T N 4.332 118.561 114.554 -0.542 0.000 2.771 379 T HA 0.142 4.492 4.350 -0.000 0.000 0.281 379 T C -0.536 173.905 174.700 -0.433 0.000 0.982 379 T CA -0.383 61.543 62.100 -0.290 0.000 0.978 379 T CB 1.341 70.156 68.868 -0.088 0.000 0.930 379 T HN 0.332 nan 8.240 nan 0.000 0.447 380 D N 0.981 121.323 120.400 -0.097 0.000 2.377 380 D HA 0.181 4.821 4.640 -0.000 0.000 0.245 380 D C 0.406 176.789 176.300 0.139 0.000 1.196 380 D CA -0.676 53.350 54.000 0.045 0.000 0.962 380 D CB 0.872 41.922 40.800 0.416 0.000 1.127 380 D HN 0.570 nan 8.370 nan 0.000 0.471 381 W N 1.222 122.473 121.300 -0.082 0.000 1.592 381 W HA 0.054 4.713 4.660 -0.000 0.000 0.624 381 W C 0.403 176.873 176.519 -0.081 0.000 1.311 381 W CA -0.627 56.653 57.345 -0.109 0.000 1.187 381 W CB -0.022 29.358 29.460 -0.133 0.000 3.278 381 W HN 0.231 nan 8.180 nan 0.000 0.762 382 N N 2.568 120.985 118.700 -0.473 0.000 2.411 382 N HA -0.075 4.664 4.740 -0.000 0.000 0.261 382 N C 0.886 176.289 175.510 -0.178 0.000 1.248 382 N CA 0.436 53.117 53.050 -0.616 0.000 0.885 382 N CB 1.010 38.952 38.487 -0.908 0.000 1.062 382 N HN 0.343 nan 8.380 nan 0.000 0.471 383 L N 1.146 122.309 121.223 -0.099 0.000 2.131 383 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 383 L C 1.006 177.979 176.870 0.172 0.000 1.092 383 L CA 1.010 55.875 54.840 0.042 0.000 0.759 383 L CB -0.135 41.943 42.059 0.031 0.000 0.903 383 L HN 0.608 nan 8.230 nan 0.000 0.435 384 A N -0.988 121.845 122.820 0.021 0.000 2.589 384 A HA 0.732 5.052 4.320 -0.000 0.000 0.296 384 A C -1.291 176.255 177.584 -0.064 0.000 1.062 384 A CA -0.493 51.550 52.037 0.011 0.000 0.686 384 A CB 1.376 20.382 19.000 0.009 0.000 1.282 384 A HN -0.015 nan 8.150 nan 0.000 0.404 385 L N 0.941 122.141 121.223 -0.038 0.000 2.403 385 L HA 0.477 4.817 4.340 -0.000 0.000 0.253 385 L C -0.071 176.795 176.870 -0.006 0.000 1.045 385 L CA -1.213 53.609 54.840 -0.029 0.000 0.845 385 L CB 2.376 44.418 42.059 -0.027 0.000 1.447 385 L HN 1.017 nan 8.230 nan 0.000 0.411 386 N N -0.118 118.580 118.700 -0.003 0.000 2.327 386 N HA 0.266 5.006 4.740 -0.000 0.000 0.257 386 N C -2.363 173.125 175.510 -0.037 0.000 1.281 386 N CA -1.480 51.560 53.050 -0.016 0.000 0.942 386 N CB -0.244 38.228 38.487 -0.025 0.000 1.199 386 N HN 0.176 nan 8.380 nan 0.000 0.532 387 P HA -0.138 nan 4.420 nan 0.000 0.223 387 P C 0.520 177.748 177.300 -0.120 0.000 1.144 387 P CA 1.275 64.344 63.100 -0.053 0.000 0.783 387 P CB 0.094 31.785 31.700 -0.016 0.000 0.771 388 E N -0.688 119.390 120.200 -0.203 0.000 2.472 388 E HA 0.098 4.447 4.350 -0.000 0.000 0.196 388 E C 0.898 177.206 176.600 -0.487 0.000 1.033 388 E CA 0.561 56.727 56.400 -0.389 0.000 0.886 388 E CB -0.452 28.924 29.700 -0.542 0.000 0.944 388 E HN 0.089 nan 8.360 nan 0.000 0.492 389 G N 0.300 108.971 108.800 -0.215 0.000 2.149 389 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.235 389 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.235 389 G C 0.237 175.284 174.900 0.246 0.000 1.018 389 G CA 0.085 45.199 45.100 0.023 0.000 0.728 389 G HN 0.601 nan 8.290 nan 0.000 0.508 390 G N -0.660 108.164 108.800 0.040 0.000 3.209 390 G HA2 0.876 4.836 3.960 -0.000 0.000 0.236 390 G HA3 0.876 4.836 3.960 -0.000 0.000 0.236 390 G C -2.774 172.257 174.900 0.218 0.000 1.329 390 G CA -0.756 44.539 45.100 0.326 0.000 1.015 390 G HN 0.226 nan 8.290 nan 0.000 0.571 391 P HA 0.133 nan 4.420 nan 0.000 0.275 391 P C -1.136 176.305 177.300 0.234 0.000 1.227 391 P CA -0.151 63.097 63.100 0.246 0.000 0.781 391 P CB 1.230 33.021 31.700 0.152 0.000 0.906 392 N N 3.404 122.194 118.700 0.149 0.000 2.533 392 N HA 0.043 4.783 4.740 -0.000 0.000 0.289 392 N C 1.040 176.395 175.510 -0.258 0.000 1.103 392 N CA -0.636 52.207 53.050 -0.345 0.000 0.877 392 N CB 0.914 38.874 38.487 -0.879 0.000 1.419 392 N HN 0.550 nan 8.380 nan 0.000 0.517 393 W N 4.515 125.659 121.300 -0.260 0.000 2.560 393 W HA -0.004 4.656 4.660 -0.000 0.000 0.252 393 W C 0.167 176.571 176.519 -0.192 0.000 1.242 393 W CA 0.657 57.901 57.345 -0.169 0.000 1.242 393 W CB -0.595 28.800 29.460 -0.108 0.000 1.136 393 W HN 0.247 nan 8.180 nan 0.000 0.625 394 V N -1.400 117.960 119.914 -0.924 0.000 3.166 394 V HA 0.447 4.567 4.120 -0.000 0.000 0.332 394 V C 0.931 176.616 176.094 -0.681 0.000 1.434 394 V CA -0.599 61.170 62.300 -0.885 0.000 1.121 394 V CB -0.658 30.509 31.823 -1.093 0.000 1.062 394 V HN 0.153 nan 8.190 nan 0.000 0.489 395 R N 0.721 120.748 120.500 -0.788 0.000 3.531 395 R HA -0.195 4.145 4.340 -0.000 0.000 0.280 395 R C 0.365 175.940 176.300 -1.209 0.000 1.130 395 R CA 0.999 56.369 56.100 -1.217 0.000 0.757 395 R CB -2.204 27.719 30.300 -0.627 0.000 1.218 395 R HN 0.708 nan 8.270 nan 0.000 0.454 396 N N 1.070 119.165 118.700 -1.009 0.000 3.209 396 N HA 0.115 4.855 4.740 -0.000 0.000 0.309 396 N C -0.465 174.805 175.510 -0.399 0.000 1.384 396 N CA -0.245 52.444 53.050 -0.601 0.000 1.173 396 N CB 0.063 38.236 38.487 -0.523 0.000 1.460 396 N HN 0.170 nan 8.380 nan 0.000 0.534 397 F N -0.083 119.826 119.950 -0.068 0.000 2.518 397 F HA 0.200 4.727 4.527 -0.000 0.000 0.359 397 F C 1.278 177.187 175.800 0.181 0.000 1.118 397 F CA -0.488 57.575 58.000 0.104 0.000 1.287 397 F CB 0.437 39.471 39.000 0.057 0.000 1.132 397 F HN -0.053 nan 8.300 nan 0.000 0.587 398 V N -1.748 118.458 119.914 0.486 0.000 3.076 398 V HA 0.563 4.683 4.120 -0.000 0.000 0.311 398 V C -1.049 175.162 176.094 0.195 0.000 1.346 398 V CA -0.988 61.494 62.300 0.302 0.000 1.056 398 V CB 1.669 33.701 31.823 0.348 0.000 1.093 398 V HN 0.576 nan 8.190 nan 0.000 0.468 399 D N -0.156 120.323 120.400 0.131 0.000 2.432 399 D HA 0.720 5.359 4.640 -0.000 0.000 0.258 399 D C -0.694 175.645 176.300 0.065 0.000 1.146 399 D CA 0.188 54.226 54.000 0.063 0.000 1.015 399 D CB 1.992 42.805 40.800 0.020 0.000 1.107 399 D HN 0.902 nan 8.370 nan 0.000 0.529 400 S N -0.360 115.359 115.700 0.031 0.000 2.533 400 S HA 0.411 4.881 4.470 -0.000 0.000 0.271 400 S C -2.284 172.352 174.600 0.060 0.000 1.143 400 S CA -1.160 57.070 58.200 0.051 0.000 0.891 400 S CB 1.745 64.949 63.200 0.007 0.000 1.105 400 S HN 0.090 nan 8.310 nan 0.000 0.468 401 P HA 0.050 nan 4.420 nan 0.000 0.217 401 P C -0.331 177.049 177.300 0.134 0.000 1.148 401 P CA 1.268 64.461 63.100 0.156 0.000 0.828 401 P CB 0.079 31.992 31.700 0.356 0.000 0.783 402 I N -0.624 120.020 120.570 0.123 0.000 2.466 402 I HA 0.224 4.394 4.170 -0.000 0.000 0.289 402 I C -0.532 175.620 176.117 0.058 0.000 1.026 402 I CA -1.008 60.318 61.300 0.043 0.000 1.078 402 I CB 2.144 40.104 38.000 -0.066 0.000 1.249 402 I HN -0.297 nan 8.210 nan 0.000 0.429 403 I N 7.043 127.672 120.570 0.099 0.000 2.354 403 I HA 0.350 4.520 4.170 -0.000 0.000 0.292 403 I C 0.038 176.203 176.117 0.080 0.000 0.989 403 I CA -0.810 60.550 61.300 0.101 0.000 1.188 403 I CB 1.757 39.849 38.000 0.153 0.000 1.342 403 I HN 0.114 nan 8.210 nan 0.000 0.457 404 V N 5.557 125.488 119.914 0.027 0.000 2.394 404 V HA 0.278 4.398 4.120 -0.000 0.000 0.282 404 V C -0.012 176.077 176.094 -0.009 0.000 1.031 404 V CA -0.540 61.756 62.300 -0.007 0.000 0.881 404 V CB 1.795 33.608 31.823 -0.017 0.000 0.982 404 V HN 0.598 nan 8.190 nan 0.000 0.451 405 D N 4.360 124.723 120.400 -0.061 0.000 2.493 405 D HA 0.348 4.988 4.640 -0.000 0.000 0.235 405 D C 1.104 177.402 176.300 -0.004 0.000 1.117 405 D CA -0.258 53.743 54.000 0.001 0.000 0.930 405 D CB 0.923 41.748 40.800 0.041 0.000 1.010 405 D HN 0.463 nan 8.370 nan 0.000 0.514 406 I N 1.174 121.749 120.570 0.008 0.000 2.315 406 I HA -0.311 3.859 4.170 -0.000 0.000 0.251 406 I C 2.425 178.551 176.117 0.015 0.000 1.125 406 I CA 1.515 62.821 61.300 0.010 0.000 1.392 406 I CB -0.239 37.768 38.000 0.010 0.000 1.065 406 I HN 0.395 nan 8.210 nan 0.000 0.424 407 T N -1.807 112.761 114.554 0.023 0.000 3.035 407 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 407 T C 1.371 176.086 174.700 0.025 0.000 1.109 407 T CA 0.783 62.898 62.100 0.026 0.000 1.119 407 T CB -0.155 68.734 68.868 0.035 0.000 0.900 407 T HN 0.395 nan 8.240 nan 0.000 0.503 408 K N 0.709 121.122 120.400 0.022 0.000 2.478 408 K HA 0.188 4.508 4.320 -0.000 0.000 0.205 408 K C 0.009 176.606 176.600 -0.005 0.000 1.033 408 K CA 0.079 56.375 56.287 0.015 0.000 1.091 408 K CB 0.367 32.888 32.500 0.034 0.000 0.844 408 K HN 0.157 nan 8.250 nan 0.000 0.507 409 D N 2.071 122.472 120.400 0.001 0.000 2.706 409 D HA -0.158 4.482 4.640 -0.000 0.000 0.230 409 D C -1.108 175.187 176.300 -0.009 0.000 1.184 409 D CA 1.106 55.112 54.000 0.010 0.000 0.628 409 D CB -0.695 40.114 40.800 0.014 0.000 1.019 409 D HN 0.126 nan 8.370 nan 0.000 0.415 410 T N 0.404 114.923 114.554 -0.058 0.000 2.907 410 T HA 0.700 5.050 4.350 -0.000 0.000 0.292 410 T C -0.416 174.147 174.700 -0.228 0.000 1.043 410 T CA -0.647 61.336 62.100 -0.194 0.000 1.003 410 T CB 1.060 69.772 68.868 -0.259 0.000 1.084 410 T HN 0.196 nan 8.240 nan 0.000 0.483 411 F N 0.216 119.900 119.950 -0.443 0.000 2.588 411 F HA 0.785 5.312 4.527 -0.000 0.000 0.310 411 F C -1.847 173.670 175.800 -0.471 0.000 1.082 411 F CA -1.606 56.118 58.000 -0.460 0.000 0.929 411 F CB 1.019 39.876 39.000 -0.238 0.000 1.254 411 F HN 0.467 nan 8.300 nan 0.000 0.455 412 Y N 1.293 121.685 120.300 0.154 0.000 2.341 412 Y HA 0.505 5.054 4.550 -0.000 0.000 0.338 412 Y C -0.324 175.601 175.900 0.042 0.000 0.965 412 Y CA -1.175 56.961 58.100 0.060 0.000 1.108 412 Y CB 1.891 40.379 38.460 0.047 0.000 1.180 412 Y HN 0.437 nan 8.280 nan 0.000 0.458 413 K N 4.464 124.941 120.400 0.128 0.000 2.267 413 K HA 0.247 4.567 4.320 -0.000 0.000 0.282 413 K C -0.408 176.310 176.600 0.196 0.000 1.078 413 K CA -0.512 55.728 56.287 -0.079 0.000 0.903 413 K CB 0.991 33.171 32.500 -0.534 0.000 1.111 413 K HN 0.684 nan 8.250 nan 0.000 0.475 414 Q N 2.359 122.270 119.800 0.185 0.000 2.317 414 Q HA 0.087 4.427 4.340 -0.000 0.000 0.229 414 Q C -1.728 174.508 176.000 0.392 0.000 0.984 414 Q CA -1.920 54.031 55.803 0.246 0.000 0.911 414 Q CB 0.510 29.317 28.738 0.115 0.000 1.217 414 Q HN 0.241 nan 8.270 nan 0.000 0.501 415 P HA -0.236 nan 4.420 nan 0.000 0.217 415 P C 1.127 178.645 177.300 0.365 0.000 1.151 415 P CA 1.807 65.188 63.100 0.469 0.000 0.849 415 P CB 0.094 31.980 31.700 0.309 0.000 0.787 416 M N -2.888 116.758 119.600 0.078 0.000 2.108 416 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 416 M C 2.068 178.404 176.300 0.059 0.000 1.066 416 M CA 1.845 57.065 55.300 -0.132 0.000 1.107 416 M CB -1.131 31.153 32.600 -0.527 0.000 1.356 416 M HN -0.077 nan 8.290 nan 0.000 0.406 417 F N 0.684 120.606 119.950 -0.048 0.000 2.091 417 F HA -0.297 4.230 4.527 -0.000 0.000 0.299 417 F C 1.975 177.663 175.800 -0.187 0.000 1.103 417 F CA 1.774 59.675 58.000 -0.165 0.000 1.228 417 F CB -0.504 38.233 39.000 -0.440 0.000 0.984 417 F HN -0.001 nan 8.300 nan 0.000 0.477 418 Y N -0.701 119.792 120.300 0.321 0.000 2.200 418 Y HA -0.201 4.349 4.550 -0.000 0.000 0.290 418 Y C 2.819 178.834 175.900 0.192 0.000 1.137 418 Y CA 1.780 60.021 58.100 0.234 0.000 1.163 418 Y CB -1.000 37.682 38.460 0.370 0.000 0.988 418 Y HN 0.155 nan 8.280 nan 0.000 0.518 419 H N -0.444 118.796 119.070 0.283 0.000 2.387 419 H HA -0.151 4.404 4.556 -0.000 0.000 0.299 419 H C 2.284 177.772 175.328 0.267 0.000 1.090 419 H CA 1.669 57.862 56.048 0.241 0.000 1.332 419 H CB -0.255 29.548 29.762 0.070 0.000 1.386 419 H HN 0.354 nan 8.280 nan 0.000 0.516 420 L N -0.116 121.238 121.223 0.219 0.000 2.056 420 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 420 L C 2.827 179.697 176.870 0.000 0.000 1.078 420 L CA 0.996 55.907 54.840 0.118 0.000 0.749 420 L CB -0.468 41.686 42.059 0.159 0.000 0.901 420 L HN 0.271 nan 8.230 nan 0.000 0.433 421 G N -1.693 106.994 108.800 -0.189 0.000 2.442 421 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.219 421 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.219 421 G C 1.352 176.045 174.900 -0.345 0.000 1.141 421 G CA 0.505 45.381 45.100 -0.373 0.000 0.763 421 G HN 0.428 nan 8.290 nan 0.000 0.554 422 H N -0.863 118.132 119.070 -0.124 0.000 2.541 422 H HA -0.027 4.529 4.556 -0.000 0.000 0.289 422 H C 1.712 176.801 175.328 -0.397 0.000 1.054 422 H CA 1.149 57.106 56.048 -0.151 0.000 1.250 422 H CB 0.080 29.712 29.762 -0.217 0.000 1.369 422 H HN 0.488 nan 8.280 nan 0.000 0.578 423 F N -0.575 119.235 119.950 -0.232 0.000 2.536 423 F HA -0.060 4.467 4.527 -0.000 0.000 0.278 423 F C 2.752 178.063 175.800 -0.814 0.000 0.945 423 F CA 0.579 58.286 58.000 -0.490 0.000 1.244 423 F CB -0.596 37.967 39.000 -0.729 0.000 1.118 423 F HN -0.022 nan 8.300 nan 0.000 0.725 424 S N 0.607 115.867 115.700 -0.734 0.000 2.387 424 S HA -0.313 4.157 4.470 -0.000 0.000 0.230 424 S C 1.946 176.281 174.600 -0.442 0.000 1.035 424 S CA 1.828 59.666 58.200 -0.603 0.000 1.014 424 S CB -0.702 62.397 63.200 -0.170 0.000 0.836 424 S HN 0.395 nan 8.310 nan 0.000 0.466 425 K N 0.130 120.119 120.400 -0.686 0.000 2.296 425 K HA 0.126 4.446 4.320 -0.000 0.000 0.200 425 K C 0.612 176.601 176.600 -1.018 0.000 1.048 425 K CA 0.924 56.603 56.287 -1.013 0.000 0.966 425 K CB -0.078 31.421 32.500 -1.668 0.000 0.754 425 K HN 0.590 nan 8.250 nan 0.000 0.466 426 F N -0.180 119.579 119.950 -0.319 0.000 2.706 426 F HA 0.313 4.840 4.527 -0.000 0.000 0.313 426 F C 0.146 175.887 175.800 -0.098 0.000 1.096 426 F CA -0.616 57.262 58.000 -0.203 0.000 1.219 426 F CB 0.906 39.785 39.000 -0.202 0.000 1.051 426 F HN -0.185 nan 8.300 nan 0.000 0.568 427 I N 3.332 123.884 120.570 -0.030 0.000 2.778 427 I HA 0.231 4.401 4.170 -0.000 0.000 0.285 427 I C -2.391 173.752 176.117 0.044 0.000 1.236 427 I CA -1.923 59.407 61.300 0.049 0.000 1.089 427 I CB 0.318 38.427 38.000 0.183 0.000 1.601 427 I HN -0.219 nan 8.210 nan 0.000 0.573 428 P HA -0.011 nan 4.420 nan 0.000 0.271 428 P C -0.094 177.196 177.300 -0.016 0.000 1.244 428 P CA -0.104 62.944 63.100 -0.087 0.000 0.793 428 P CB 0.897 32.481 31.700 -0.192 0.000 0.984 429 E N -0.293 119.897 120.200 -0.016 0.000 2.415 429 E HA 0.238 4.587 4.350 -0.000 0.000 0.263 429 E C 1.050 177.644 176.600 -0.009 0.000 0.995 429 E CA 0.800 57.188 56.400 -0.019 0.000 0.915 429 E CB -0.593 29.076 29.700 -0.051 0.000 0.951 429 E HN 0.767 nan 8.360 nan 0.000 0.449 430 G N 2.993 111.799 108.800 0.010 0.000 2.195 430 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.224 430 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.224 430 G C 0.307 175.235 174.900 0.047 0.000 0.990 430 G CA 0.098 45.214 45.100 0.027 0.000 0.639 430 G HN 0.583 nan 8.290 nan 0.000 0.514 431 S N 0.194 115.925 115.700 0.052 0.000 2.563 431 S HA 0.432 4.902 4.470 -0.000 0.000 0.284 431 S C 0.238 174.898 174.600 0.099 0.000 1.331 431 S CA 0.785 59.038 58.200 0.089 0.000 1.047 431 S CB 1.374 64.643 63.200 0.115 0.000 0.859 431 S HN 0.755 nan 8.310 nan 0.000 0.514 432 Q N 2.019 121.882 119.800 0.105 0.000 2.321 432 Q HA 0.354 4.694 4.340 -0.000 0.000 0.270 432 Q C -0.552 175.524 176.000 0.127 0.000 1.032 432 Q CA -0.776 55.092 55.803 0.108 0.000 0.784 432 Q CB 1.016 29.806 28.738 0.086 0.000 1.264 432 Q HN 0.616 nan 8.270 nan 0.000 0.448 433 R N 3.125 123.720 120.500 0.159 0.000 2.449 433 R HA 0.249 4.589 4.340 -0.000 0.000 0.296 433 R C -0.382 176.099 176.300 0.301 0.000 1.047 433 R CA 0.134 56.340 56.100 0.177 0.000 1.018 433 R CB 0.359 30.728 30.300 0.116 0.000 0.962 433 R HN 0.555 nan 8.270 nan 0.000 0.428 434 V N 1.494 121.551 119.914 0.237 0.000 3.166 434 V HA 0.780 4.900 4.120 -0.000 0.000 0.317 434 V C 0.453 176.745 176.094 0.330 0.000 1.136 434 V CA -0.637 61.827 62.300 0.272 0.000 1.035 434 V CB 1.359 33.247 31.823 0.109 0.000 1.110 434 V HN 0.811 nan 8.190 nan 0.000 0.450 435 G N -0.126 108.873 108.800 0.332 0.000 2.606 435 G HA2 0.546 4.506 3.960 -0.000 0.000 0.252 435 G HA3 0.546 4.506 3.960 -0.000 0.000 0.252 435 G C -1.029 173.943 174.900 0.120 0.000 1.206 435 G CA -0.177 45.098 45.100 0.291 0.000 0.861 435 G HN 1.410 nan 8.290 nan 0.000 0.561 436 L N 1.327 122.591 121.223 0.069 0.000 2.727 436 L HA 0.339 4.678 4.340 -0.000 0.000 0.255 436 L C -0.218 176.660 176.870 0.014 0.000 0.983 436 L CA -0.627 54.233 54.840 0.033 0.000 0.945 436 L CB 1.411 43.485 42.059 0.025 0.000 1.242 436 L HN 0.600 nan 8.230 nan 0.000 0.449 437 V N 1.699 121.621 119.914 0.013 0.000 2.567 437 V HA 0.973 5.093 4.120 -0.000 0.000 0.289 437 V C 0.678 176.772 176.094 -0.001 0.000 1.049 437 V CA -0.079 62.225 62.300 0.008 0.000 0.969 437 V CB 1.216 33.048 31.823 0.014 0.000 0.995 437 V HN 0.901 nan 8.190 nan 0.000 0.471 438 A N 3.144 125.965 122.820 0.002 0.000 2.301 438 A HA 0.611 4.931 4.320 -0.000 0.000 0.312 438 A C 1.163 178.753 177.584 0.009 0.000 1.182 438 A CA 0.048 52.086 52.037 0.002 0.000 0.826 438 A CB 1.182 20.186 19.000 0.006 0.000 1.134 438 A HN 1.599 nan 8.150 nan 0.000 0.501 439 S N 1.093 116.799 115.700 0.011 0.000 2.515 439 S HA 0.072 4.542 4.470 -0.000 0.000 0.231 439 S C 0.553 175.166 174.600 0.022 0.000 0.987 439 S CA 0.890 59.102 58.200 0.021 0.000 0.936 439 S CB -0.491 62.728 63.200 0.032 0.000 0.766 439 S HN 1.043 nan 8.310 nan 0.000 0.528 440 Q N -0.940 118.871 119.800 0.018 0.000 2.874 440 Q HA 0.386 4.725 4.340 -0.000 0.000 0.303 440 Q C -1.812 174.199 176.000 0.019 0.000 0.876 440 Q CA -1.188 54.627 55.803 0.019 0.000 0.765 440 Q CB 0.390 29.140 28.738 0.021 0.000 1.478 440 Q HN -0.003 nan 8.270 nan 0.000 0.434 441 K N 1.266 121.678 120.400 0.020 0.000 2.447 441 K HA 0.149 4.469 4.320 -0.000 0.000 0.281 441 K C -0.704 175.908 176.600 0.019 0.000 1.031 441 K CA 0.821 57.121 56.287 0.021 0.000 1.019 441 K CB 0.083 32.596 32.500 0.022 0.000 0.918 441 K HN 0.674 nan 8.250 nan 0.000 0.476 442 N N 0.305 119.018 118.700 0.021 0.000 2.610 442 N HA 0.195 4.935 4.740 -0.000 0.000 0.264 442 N C -1.075 174.450 175.510 0.025 0.000 1.348 442 N CA -0.852 52.209 53.050 0.019 0.000 0.819 442 N CB 1.285 39.782 38.487 0.015 0.000 1.521 442 N HN 0.167 nan 8.380 nan 0.000 0.497 443 D N 0.090 120.502 120.400 0.020 0.000 2.325 443 D HA 0.187 4.827 4.640 -0.000 0.000 0.225 443 D C -0.087 176.235 176.300 0.036 0.000 1.096 443 D CA 0.177 54.192 54.000 0.025 0.000 0.844 443 D CB 0.067 40.873 40.800 0.010 0.000 0.925 443 D HN 0.394 nan 8.370 nan 0.000 0.513 444 L N 0.583 121.829 121.223 0.038 0.000 2.399 444 L HA 0.338 4.678 4.340 -0.000 0.000 0.265 444 L C 0.307 177.225 176.870 0.080 0.000 1.089 444 L CA -0.562 54.308 54.840 0.051 0.000 0.802 444 L CB 1.162 43.240 42.059 0.032 0.000 1.180 444 L HN -0.263 nan 8.230 nan 0.000 0.454 445 D N 1.767 122.233 120.400 0.110 0.000 2.344 445 D HA 0.622 5.262 4.640 -0.000 0.000 0.239 445 D C -0.659 175.708 176.300 0.111 0.000 1.064 445 D CA -0.050 54.032 54.000 0.137 0.000 0.829 445 D CB 2.389 43.328 40.800 0.231 0.000 1.129 445 D HN 0.604 nan 8.370 nan 0.000 0.506 446 A N 1.536 124.405 122.820 0.081 0.000 2.556 446 A HA 0.757 5.077 4.320 -0.000 0.000 0.294 446 A C -1.430 176.189 177.584 0.059 0.000 1.091 446 A CA -0.764 51.319 52.037 0.077 0.000 0.704 446 A CB 2.320 21.353 19.000 0.054 0.000 1.300 446 A HN 0.346 nan 8.150 nan 0.000 0.406 447 V N -0.022 119.937 119.914 0.074 0.000 2.891 447 V HA 0.733 4.853 4.120 -0.000 0.000 0.304 447 V C -0.487 175.642 176.094 0.059 0.000 1.171 447 V CA 0.266 62.599 62.300 0.054 0.000 0.943 447 V CB 1.799 33.675 31.823 0.088 0.000 1.037 447 V HN 2.021 nan 8.190 nan 0.000 0.427 448 A N 6.089 128.932 122.820 0.037 0.000 2.337 448 A HA 1.051 5.371 4.320 -0.000 0.000 0.331 448 A C -1.489 176.118 177.584 0.037 0.000 1.137 448 A CA -0.543 51.511 52.037 0.029 0.000 0.807 448 A CB 1.546 20.565 19.000 0.032 0.000 1.250 448 A HN 0.933 nan 8.150 nan 0.000 0.468 449 L N 0.306 121.536 121.223 0.012 0.000 2.568 449 L HA 0.587 4.927 4.340 -0.000 0.000 0.257 449 L C -0.529 176.338 176.870 -0.006 0.000 1.024 449 L CA -0.149 54.721 54.840 0.050 0.000 0.854 449 L CB 1.935 44.061 42.059 0.112 0.000 1.460 449 L HN 0.709 nan 8.230 nan 0.000 0.409 450 M N 0.607 120.226 119.600 0.032 0.000 2.243 450 M HA 0.441 4.921 4.480 -0.000 0.000 0.324 450 M C -0.511 175.857 176.300 0.112 0.000 1.031 450 M CA -0.484 54.809 55.300 -0.013 0.000 0.949 450 M CB 1.687 34.273 32.600 -0.023 0.000 1.615 450 M HN 0.616 nan 8.290 nan 0.000 0.430 451 H N 2.767 121.806 119.070 -0.052 0.000 2.801 451 H HA 0.008 4.564 4.556 -0.000 0.000 0.377 451 H C -1.607 173.719 175.328 -0.003 0.000 1.304 451 H CA -1.262 54.783 56.048 -0.004 0.000 1.451 451 H CB 0.263 30.037 29.762 0.020 0.000 1.474 451 H HN 0.425 nan 8.280 nan 0.000 0.620 452 P HA -0.163 nan 4.420 nan 0.000 0.217 452 P C 0.832 178.172 177.300 0.066 0.000 1.150 452 P CA 1.571 64.716 63.100 0.075 0.000 0.832 452 P CB 0.037 31.766 31.700 0.049 0.000 0.787 453 D N -1.716 118.736 120.400 0.087 0.000 2.378 453 D HA 0.012 4.652 4.640 -0.000 0.000 0.227 453 D C 1.415 177.702 176.300 -0.022 0.000 1.012 453 D CA 1.025 55.048 54.000 0.038 0.000 0.905 453 D CB -1.009 39.821 40.800 0.051 0.000 0.895 453 D HN 0.254 nan 8.370 nan 0.000 0.532 454 G N -0.411 108.377 108.800 -0.020 0.000 2.194 454 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.236 454 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.236 454 G C 0.426 175.225 174.900 -0.168 0.000 0.987 454 G CA 0.273 45.332 45.100 -0.069 0.000 0.635 454 G HN 0.771 nan 8.290 nan 0.000 0.520 455 S N 0.123 115.661 115.700 -0.269 0.000 2.614 455 S HA 0.795 5.265 4.470 -0.000 0.000 0.265 455 S C 0.511 174.745 174.600 -0.610 0.000 1.303 455 S CA 0.379 58.278 58.200 -0.502 0.000 1.000 455 S CB 2.053 64.813 63.200 -0.732 0.000 0.935 455 S HN 1.856 nan 8.310 nan 0.000 0.551 456 A N 0.257 122.556 122.820 -0.868 0.000 2.294 456 A HA 0.800 5.119 4.320 -0.000 0.000 0.330 456 A C -0.541 176.469 177.584 -0.957 0.000 1.133 456 A CA -0.879 50.535 52.037 -1.038 0.000 0.836 456 A CB 1.170 19.129 19.000 -1.735 0.000 1.190 456 A HN 1.518 nan 8.150 nan 0.000 0.492 457 V N 2.220 121.757 119.914 -0.627 0.000 2.653 457 V HA 0.555 4.675 4.120 -0.000 0.000 0.298 457 V C -1.556 174.450 176.094 -0.146 0.000 1.097 457 V CA -0.288 61.828 62.300 -0.308 0.000 0.908 457 V CB 1.665 33.450 31.823 -0.063 0.000 1.024 457 V HN 0.831 nan 8.190 nan 0.000 0.435 458 V N 6.913 126.819 119.914 -0.013 0.000 2.540 458 V HA 0.622 4.741 4.120 -0.000 0.000 0.302 458 V C -0.391 175.781 176.094 0.129 0.000 1.035 458 V CA -0.609 61.746 62.300 0.091 0.000 0.873 458 V CB 2.177 34.117 31.823 0.195 0.000 0.992 458 V HN 0.693 nan 8.190 nan 0.000 0.428 459 V N 5.178 125.124 119.914 0.053 0.000 2.417 459 V HA 0.568 4.687 4.120 -0.000 0.000 0.291 459 V C -0.331 175.801 176.094 0.064 0.000 1.024 459 V CA -0.594 61.690 62.300 -0.027 0.000 0.861 459 V CB 1.826 33.432 31.823 -0.362 0.000 0.985 459 V HN 0.591 nan 8.190 nan 0.000 0.436 460 V N 6.042 126.016 119.914 0.101 0.000 2.444 460 V HA 0.510 4.630 4.120 -0.000 0.000 0.294 460 V C -0.548 175.571 176.094 0.042 0.000 1.022 460 V CA -0.553 61.804 62.300 0.095 0.000 0.850 460 V CB 1.713 33.618 31.823 0.136 0.000 0.992 460 V HN 0.711 nan 8.190 nan 0.000 0.426 461 L N 4.679 125.948 121.223 0.078 0.000 2.322 461 L HA 0.698 5.038 4.340 -0.000 0.000 0.281 461 L C -0.461 176.466 176.870 0.096 0.000 1.014 461 L CA 0.082 54.985 54.840 0.105 0.000 0.815 461 L CB 1.722 43.897 42.059 0.194 0.000 1.247 461 L HN 0.609 nan 8.230 nan 0.000 0.421 462 N N 3.921 122.679 118.700 0.096 0.000 2.564 462 N HA 0.341 5.081 4.740 -0.000 0.000 0.248 462 N C 0.068 175.659 175.510 0.135 0.000 0.986 462 N CA -0.294 52.798 53.050 0.070 0.000 0.921 462 N CB 0.995 39.484 38.487 0.003 0.000 1.136 462 N HN 0.732 nan 8.380 nan 0.000 0.509 463 R N 0.448 121.021 120.500 0.123 0.000 2.310 463 R HA 0.070 4.410 4.340 -0.000 0.000 0.202 463 R C 0.630 176.984 176.300 0.090 0.000 0.933 463 R CA 0.032 56.241 56.100 0.182 0.000 1.054 463 R CB 0.142 30.509 30.300 0.112 0.000 0.985 463 R HN 0.549 nan 8.270 nan 0.000 0.489 464 S N -0.585 115.064 115.700 -0.085 0.000 2.693 464 S HA 0.107 4.577 4.470 -0.000 0.000 0.276 464 S C 1.238 175.434 174.600 -0.673 0.000 1.192 464 S CA -0.474 57.581 58.200 -0.241 0.000 0.994 464 S CB 1.843 64.967 63.200 -0.126 0.000 1.012 464 S HN 0.136 nan 8.310 nan 0.000 0.550 465 S N 0.270 115.601 115.700 -0.615 0.000 2.489 465 S HA 0.143 4.612 4.470 -0.000 0.000 0.228 465 S C 0.354 174.765 174.600 -0.315 0.000 0.995 465 S CA 0.046 57.842 58.200 -0.673 0.000 0.934 465 S CB -0.506 62.564 63.200 -0.218 0.000 0.771 465 S HN 0.709 nan 8.310 nan 0.000 0.522 466 K N 1.564 121.840 120.400 -0.206 0.000 2.123 466 K HA 0.416 4.736 4.320 -0.000 0.000 0.259 466 K C -1.381 175.165 176.600 -0.089 0.000 0.960 466 K CA -0.706 55.516 56.287 -0.108 0.000 0.872 466 K CB 0.778 33.239 32.500 -0.064 0.000 1.079 466 K HN 0.141 nan 8.250 nan 0.000 0.440 467 D N 0.865 121.235 120.400 -0.050 0.000 2.382 467 D HA 0.136 4.776 4.640 -0.000 0.000 0.245 467 D C -0.849 175.440 176.300 -0.018 0.000 1.120 467 D CA -0.061 53.923 54.000 -0.027 0.000 0.890 467 D CB 0.941 41.740 40.800 -0.001 0.000 1.201 467 D HN -0.039 nan 8.370 nan 0.000 0.433 468 V N 4.328 124.233 119.914 -0.014 0.000 2.349 468 V HA 0.321 4.441 4.120 -0.000 0.000 0.284 468 V C -2.115 173.981 176.094 0.003 0.000 1.014 468 V CA -1.611 60.684 62.300 -0.008 0.000 0.826 468 V CB 1.343 33.158 31.823 -0.014 0.000 1.009 468 V HN 0.512 nan 8.190 nan 0.000 0.431 469 P HA 0.422 nan 4.420 nan 0.000 0.271 469 P C -0.902 176.400 177.300 0.004 0.000 1.218 469 P CA -0.096 63.014 63.100 0.018 0.000 0.780 469 P CB 1.501 33.216 31.700 0.025 0.000 0.901 470 L N -1.120 120.096 121.223 -0.013 0.000 2.653 470 L HA 0.690 5.030 4.340 -0.000 0.000 0.257 470 L C -1.261 175.543 176.870 -0.109 0.000 0.969 470 L CA -0.631 54.179 54.840 -0.049 0.000 0.869 470 L CB 1.881 43.903 42.059 -0.062 0.000 1.439 470 L HN 0.114 nan 8.230 nan 0.000 0.414 471 T N 2.330 116.794 114.554 -0.150 0.000 2.856 471 T HA 0.703 5.053 4.350 -0.000 0.000 0.283 471 T C -0.361 174.178 174.700 -0.268 0.000 1.008 471 T CA -0.302 61.650 62.100 -0.248 0.000 0.997 471 T CB 1.613 70.233 68.868 -0.413 0.000 0.992 471 T HN 0.497 nan 8.240 nan 0.000 0.454 472 I N 2.522 122.879 120.570 -0.355 0.000 2.404 472 I HA 0.456 4.626 4.170 -0.000 0.000 0.293 472 I C 0.018 175.875 176.117 -0.434 0.000 0.992 472 I CA -0.863 60.223 61.300 -0.356 0.000 1.149 472 I CB 1.792 39.524 38.000 -0.448 0.000 1.315 472 I HN 0.373 nan 8.210 nan 0.000 0.446 473 K N 5.189 125.342 120.400 -0.411 0.000 2.274 473 K HA 0.305 4.625 4.320 -0.000 0.000 0.262 473 K C -1.347 175.010 176.600 -0.404 0.000 0.961 473 K CA -0.518 55.385 56.287 -0.640 0.000 0.833 473 K CB 1.418 33.461 32.500 -0.761 0.000 1.102 473 K HN 0.471 nan 8.250 nan 0.000 0.436 474 D N 6.320 126.480 120.400 -0.401 0.000 2.440 474 D HA 0.206 4.846 4.640 -0.000 0.000 0.239 474 D C -1.630 174.565 176.300 -0.175 0.000 1.084 474 D CA -2.429 51.493 54.000 -0.130 0.000 0.843 474 D CB 1.888 42.724 40.800 0.061 0.000 1.097 474 D HN 0.361 nan 8.370 nan 0.000 0.531 475 P HA -0.101 nan 4.420 nan 0.000 0.226 475 P C 0.737 178.019 177.300 -0.030 0.000 1.146 475 P CA 0.555 63.602 63.100 -0.089 0.000 0.773 475 P CB 0.368 32.037 31.700 -0.052 0.000 0.772 476 A N -0.393 122.428 122.820 0.001 0.000 2.195 476 A HA 0.169 4.489 4.320 -0.000 0.000 0.210 476 A C 1.920 179.523 177.584 0.032 0.000 1.165 476 A CA 1.037 53.091 52.037 0.029 0.000 0.806 476 A CB -0.379 18.654 19.000 0.055 0.000 0.847 476 A HN 0.211 nan 8.150 nan 0.000 0.482 477 V N -5.912 114.005 119.914 0.005 0.000 3.368 477 V HA 0.645 4.765 4.120 -0.000 0.000 0.255 477 V C 0.839 176.912 176.094 -0.034 0.000 1.466 477 V CA 0.794 63.092 62.300 -0.004 0.000 1.095 477 V CB -0.229 31.597 31.823 0.006 0.000 0.899 477 V HN 1.389 nan 8.190 nan 0.000 0.440 478 G N 0.612 109.350 108.800 -0.103 0.000 2.247 478 G HA2 0.221 4.181 3.960 -0.000 0.000 0.229 478 G HA3 0.221 4.181 3.960 -0.000 0.000 0.229 478 G C -1.549 173.223 174.900 -0.214 0.000 1.345 478 G CA -0.247 44.852 45.100 -0.002 0.000 1.100 478 G HN 0.338 nan 8.290 nan 0.000 0.473 479 F N -0.355 119.493 119.950 -0.170 0.000 2.546 479 F HA 0.803 5.330 4.527 -0.000 0.000 0.320 479 F C -0.031 175.601 175.800 -0.280 0.000 1.076 479 F CA -0.936 56.918 58.000 -0.243 0.000 0.928 479 F CB 2.089 40.975 39.000 -0.190 0.000 1.189 479 F HN 0.321 nan 8.300 nan 0.000 0.465 480 L N 3.391 124.457 121.223 -0.262 0.000 2.295 480 L HA 0.369 4.709 4.340 -0.000 0.000 0.281 480 L C -0.338 176.357 176.870 -0.292 0.000 1.018 480 L CA -0.396 54.208 54.840 -0.394 0.000 0.841 480 L CB 0.639 42.207 42.059 -0.818 0.000 1.218 480 L HN 0.403 nan 8.230 nan 0.000 0.424 481 E N 2.393 122.531 120.200 -0.105 0.000 2.223 481 E HA 0.416 4.766 4.350 -0.000 0.000 0.282 481 E C 0.009 176.580 176.600 -0.047 0.000 1.046 481 E CA 0.021 56.395 56.400 -0.043 0.000 0.857 481 E CB 1.588 31.320 29.700 0.053 0.000 1.055 481 E HN 0.505 nan 8.360 nan 0.000 0.409 482 T N 1.975 116.491 114.554 -0.063 0.000 2.665 482 T HA 0.669 5.019 4.350 -0.000 0.000 0.303 482 T C -1.401 173.333 174.700 0.056 0.000 1.334 482 T CA -0.541 61.569 62.100 0.016 0.000 1.011 482 T CB 0.904 69.744 68.868 -0.047 0.000 1.573 482 T HN 0.347 nan 8.240 nan 0.000 0.492 483 I N 1.478 122.134 120.570 0.144 0.000 2.656 483 I HA 0.444 4.614 4.170 -0.000 0.000 0.292 483 I C -0.617 175.600 176.117 0.166 0.000 1.144 483 I CA -0.889 60.483 61.300 0.121 0.000 1.038 483 I CB 2.386 40.451 38.000 0.109 0.000 1.244 483 I HN 0.524 nan 8.210 nan 0.000 0.420 484 S N 6.875 122.602 115.700 0.045 0.000 2.434 484 S HA 0.487 4.957 4.470 -0.000 0.000 0.318 484 S C -2.485 172.086 174.600 -0.048 0.000 1.062 484 S CA -1.536 56.615 58.200 -0.081 0.000 1.116 484 S CB 0.405 63.557 63.200 -0.081 0.000 0.977 484 S HN 0.194 nan 8.310 nan 0.000 0.480 485 P HA 0.179 nan 4.420 nan 0.000 0.269 485 P C 0.388 177.676 177.300 -0.019 0.000 1.215 485 P CA -0.092 63.018 63.100 0.016 0.000 0.780 485 P CB 0.337 32.087 31.700 0.082 0.000 0.898 486 G N 1.419 110.191 108.800 -0.047 0.000 2.559 486 G HA2 0.011 3.971 3.960 -0.000 0.000 0.235 486 G HA3 0.011 3.971 3.960 -0.000 0.000 0.235 486 G C -0.655 174.228 174.900 -0.029 0.000 1.266 486 G CA -0.273 44.737 45.100 -0.150 0.000 0.847 486 G HN 0.587 nan 8.290 nan 0.000 0.583 487 Y N -0.295 120.083 120.300 0.129 0.000 2.981 487 Y HA -0.248 4.302 4.550 -0.000 0.000 0.204 487 Y C 1.320 177.405 175.900 0.308 0.000 1.265 487 Y CA 0.504 58.765 58.100 0.268 0.000 0.941 487 Y CB -1.720 36.788 38.460 0.081 0.000 1.254 487 Y HN 0.904 nan 8.280 nan 0.000 0.469 488 S N -0.085 115.863 115.700 0.413 0.000 2.732 488 S HA 0.911 5.380 4.470 -0.000 0.000 0.293 488 S C -0.845 173.910 174.600 0.258 0.000 1.159 488 S CA -0.747 57.663 58.200 0.351 0.000 0.847 488 S CB 3.318 66.587 63.200 0.115 0.000 1.169 488 S HN 0.517 nan 8.310 nan 0.000 0.501 489 I N 0.590 121.230 120.570 0.116 0.000 2.685 489 I HA 0.491 4.661 4.170 -0.000 0.000 0.289 489 I C -1.769 174.274 176.117 -0.123 0.000 1.292 489 I CA -0.309 60.919 61.300 -0.121 0.000 1.050 489 I CB 1.583 39.379 38.000 -0.340 0.000 1.301 489 I HN 0.966 nan 8.210 nan 0.000 0.425 490 H N 4.077 123.057 119.070 -0.150 0.000 2.731 490 H HA 0.605 5.161 4.556 -0.000 0.000 0.368 490 H C -1.049 174.241 175.328 -0.064 0.000 1.168 490 H CA -1.082 54.909 56.048 -0.094 0.000 1.181 490 H CB 2.467 32.164 29.762 -0.109 0.000 1.743 490 H HN 0.373 nan 8.280 nan 0.000 0.547 491 T N 2.149 116.735 114.554 0.052 0.000 2.881 491 T HA 0.260 4.610 4.350 -0.000 0.000 0.291 491 T C -1.260 173.316 174.700 -0.206 0.000 0.990 491 T CA -0.672 61.406 62.100 -0.037 0.000 0.976 491 T CB 0.394 69.195 68.868 -0.111 0.000 0.970 491 T HN 0.291 nan 8.240 nan 0.000 0.438 492 Y N 2.516 122.857 120.300 0.068 0.000 2.387 492 Y HA 0.727 5.277 4.550 -0.000 0.000 0.336 492 Y C -0.346 175.639 175.900 0.141 0.000 1.067 492 Y CA -1.157 57.049 58.100 0.176 0.000 1.114 492 Y CB 1.246 39.858 38.460 0.253 0.000 1.208 492 Y HN 0.391 nan 8.280 nan 0.000 0.458 493 L N 2.958 124.412 121.223 0.384 0.000 2.422 493 L HA 0.600 4.940 4.340 -0.000 0.000 0.264 493 L C -1.425 175.727 176.870 0.471 0.000 0.984 493 L CA -0.671 54.281 54.840 0.187 0.000 0.819 493 L CB 1.736 43.870 42.059 0.125 0.000 1.330 493 L HN 0.762 nan 8.230 nan 0.000 0.410 494 W N 0.203 121.562 121.300 0.097 0.000 3.419 494 W HA 0.622 5.281 4.660 -0.000 0.000 0.298 494 W C -1.237 175.287 176.519 0.010 0.000 1.260 494 W CA -0.737 56.686 57.345 0.130 0.000 1.199 494 W CB 0.239 29.794 29.460 0.158 0.000 1.349 494 W HN 0.396 nan 8.180 nan 0.000 0.557 495 H N 1.305 120.430 119.070 0.092 0.000 2.603 495 H HA 0.490 5.046 4.556 -0.000 0.000 0.370 495 H C 0.875 176.279 175.328 0.127 0.000 1.225 495 H CA -0.080 55.925 56.048 -0.072 0.000 1.410 495 H CB 1.243 30.938 29.762 -0.111 0.000 1.495 495 H HN 0.525 nan 8.280 nan 0.000 0.602 496 R N 0.239 120.825 120.500 0.143 0.000 2.509 496 R HA 0.219 4.559 4.340 -0.000 0.000 0.297 496 R C -0.135 176.225 176.300 0.100 0.000 0.951 496 R CA 0.026 56.218 56.100 0.154 0.000 1.103 496 R CB 0.898 31.246 30.300 0.079 0.000 1.283 496 R HN 0.600 nan 8.270 nan 0.000 0.534 497 Q N 0.000 119.857 119.800 0.096 0.000 2.315 497 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 497 Q CA 0.000 55.845 55.803 0.070 0.000 1.022 497 Q CB 0.000 28.763 28.738 0.042 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481