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 2vt0_1_B DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFXXXX XXXLGTFSRY 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 TYLWHR 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 0.000 177.574 177.584 -0.017 0.000 1.274 1 A CA 0.000 52.039 52.037 0.003 0.000 0.836 1 A CB 0.000 19.023 19.000 0.039 0.000 0.831 2 R N 2.918 123.378 120.500 -0.067 0.000 2.265 2 R HA 0.588 4.936 4.340 0.014 0.000 0.319 2 R C -2.498 173.804 176.300 0.005 0.000 1.006 2 R CA -1.590 54.483 56.100 -0.045 0.000 0.880 2 R CB 1.487 31.601 30.300 -0.311 0.000 1.077 2 R HN 0.461 nan 8.270 nan 0.000 0.454 3 P HA 0.013 nan 4.420 nan 0.000 0.276 3 P C -0.131 177.237 177.300 0.113 0.000 1.261 3 P CA -0.736 62.398 63.100 0.056 0.000 0.800 3 P CB 0.604 32.328 31.700 0.040 0.000 1.066 4 c N 2.438 121.058 118.600 0.035 0.000 2.538 4 c HA 0.088 4.666 4.570 0.014 0.000 0.408 4 c C 0.573 174.686 174.090 0.038 0.000 1.421 4 c CA -0.283 56.069 56.329 0.038 0.000 1.642 4 c CB -1.988 40.494 42.510 -0.047 0.000 2.553 4 c HN 0.242 nan 8.230 nan 0.000 0.604 5 I N 9.496 130.091 120.570 0.042 0.000 2.287 5 I HA 0.288 4.467 4.170 0.014 0.000 0.290 5 I C -1.655 174.454 176.117 -0.012 0.000 1.069 5 I CA -2.347 58.926 61.300 -0.044 0.000 1.237 5 I CB 0.507 38.430 38.000 -0.128 0.000 1.418 5 I HN 0.578 nan 8.210 nan 0.000 0.481 6 P HA 0.281 nan 4.420 nan 0.000 0.279 6 P C -0.684 176.607 177.300 -0.016 0.000 1.239 6 P CA -0.525 62.573 63.100 -0.003 0.000 0.789 6 P CB 1.681 33.368 31.700 -0.021 0.000 0.933 7 K N 1.274 121.677 120.400 0.004 0.000 2.482 7 K HA 0.416 4.745 4.320 0.014 0.000 0.251 7 K C -0.879 175.684 176.600 -0.061 0.000 0.936 7 K CA -0.578 55.664 56.287 -0.075 0.000 0.791 7 K CB 1.756 34.200 32.500 -0.094 0.000 1.213 7 K HN 0.346 nan 8.250 nan 0.000 0.428 8 S N 2.835 118.441 115.700 -0.157 0.000 2.585 8 S HA 0.490 4.969 4.470 0.014 0.000 0.277 8 S C -0.410 174.010 174.600 -0.300 0.000 1.241 8 S CA -0.478 57.662 58.200 -0.099 0.000 1.041 8 S CB 0.326 63.466 63.200 -0.100 0.000 0.987 8 S HN 0.542 nan 8.310 nan 0.000 0.512 9 F N 2.022 121.936 119.950 -0.059 0.000 2.735 9 F HA 0.390 4.926 4.527 0.015 0.000 0.308 9 F C 1.553 177.204 175.800 -0.248 0.000 1.112 9 F CA 0.135 58.078 58.000 -0.095 0.000 1.235 9 F CB 0.738 39.736 39.000 -0.003 0.000 1.027 9 F HN 0.882 nan 8.300 nan 0.000 0.528 10 G N -0.727 107.987 108.800 -0.144 0.000 2.175 10 G HA2 -0.301 3.668 3.960 0.014 0.000 0.244 10 G HA3 -0.301 3.668 3.960 0.014 0.000 0.244 10 G C 0.050 174.707 174.900 -0.405 0.000 0.982 10 G CA -0.263 44.657 45.100 -0.299 0.000 0.641 10 G HN 0.354 nan 8.290 nan 0.000 0.527 11 Y N 0.557 120.906 120.300 0.081 0.000 2.534 11 Y HA 0.475 5.034 4.550 0.014 0.000 0.338 11 Y C 2.218 178.155 175.900 0.061 0.000 1.279 11 Y CA 0.091 58.234 58.100 0.072 0.000 1.436 11 Y CB 0.540 39.050 38.460 0.083 0.000 1.573 11 Y HN 0.191 nan 8.280 nan 0.000 0.567 12 S N -1.434 114.417 115.700 0.252 0.000 2.474 12 S HA 0.007 4.485 4.470 0.014 0.000 0.235 12 S C 0.689 175.357 174.600 0.113 0.000 0.997 12 S CA 0.852 59.132 58.200 0.133 0.000 0.949 12 S CB -0.109 63.155 63.200 0.107 0.000 0.766 12 S HN 0.460 nan 8.310 nan 0.000 0.517 13 S N -0.492 115.323 115.700 0.193 0.000 2.998 13 S HA 0.699 5.178 4.470 0.014 0.000 0.321 13 S C -0.895 173.810 174.600 0.174 0.000 1.171 13 S CA -0.222 58.070 58.200 0.154 0.000 0.882 13 S CB 0.993 64.344 63.200 0.252 0.000 1.301 13 S HN 0.699 nan 8.310 nan 0.000 0.629 14 V N 0.945 120.954 119.914 0.159 0.000 2.850 14 V HA 0.947 5.076 4.120 0.014 0.000 0.315 14 V C 0.206 176.422 176.094 0.203 0.000 1.064 14 V CA -0.475 61.913 62.300 0.148 0.000 0.979 14 V CB 0.955 32.819 31.823 0.069 0.000 1.039 14 V HN 0.892 nan 8.190 nan 0.000 0.452 15 V N -0.538 119.499 119.914 0.205 0.000 3.096 15 V HA 0.705 4.834 4.120 0.014 0.000 0.319 15 V C -0.005 176.203 176.094 0.190 0.000 1.082 15 V CA -0.555 61.880 62.300 0.225 0.000 1.022 15 V CB 1.399 33.352 31.823 0.218 0.000 1.103 15 V HN 1.084 nan 8.190 nan 0.000 0.455 16 c N 2.001 120.727 118.600 0.210 0.000 2.281 16 c HA 0.673 5.252 4.570 0.014 0.000 0.325 16 c C 0.191 174.350 174.090 0.115 0.000 1.282 16 c CA -0.622 55.791 56.329 0.140 0.000 1.640 16 c CB 0.233 42.840 42.510 0.162 0.000 2.288 16 c HN 0.746 nan 8.230 nan 0.000 0.507 17 V N 3.298 123.268 119.914 0.093 0.000 2.432 17 V HA 0.342 4.470 4.120 0.014 0.000 0.271 17 V C 0.240 176.245 176.094 -0.147 0.000 1.046 17 V CA -0.092 62.239 62.300 0.051 0.000 0.945 17 V CB 0.483 32.378 31.823 0.120 0.000 0.992 17 V HN 1.048 nan 8.190 nan 0.000 0.471 18 c N 5.481 123.794 118.600 -0.478 0.000 2.561 18 c HA 0.828 5.407 4.570 0.014 0.000 0.319 18 c C 0.232 173.977 174.090 -0.575 0.000 1.198 18 c CA -0.704 55.229 56.329 -0.661 0.000 1.665 18 c CB 1.443 43.104 42.510 -1.414 0.000 2.258 18 c HN 1.086 nan 8.230 nan 0.000 0.493 19 N N 0.410 118.959 118.700 -0.253 0.000 3.479 19 N HA 0.533 5.282 4.740 0.014 0.000 0.336 19 N C 0.273 175.801 175.510 0.030 0.000 1.623 19 N CA -0.124 52.874 53.050 -0.086 0.000 0.759 19 N CB 0.192 38.650 38.487 -0.048 0.000 2.016 19 N HN 0.482 nan 8.380 nan 0.000 0.637 20 A N -1.235 121.616 122.820 0.052 0.000 2.121 20 A HA 0.020 4.349 4.320 0.014 0.000 0.218 20 A C 1.432 179.051 177.584 0.059 0.000 1.154 20 A CA 2.251 54.328 52.037 0.067 0.000 0.679 20 A CB -1.206 17.825 19.000 0.050 0.000 0.795 20 A HN 0.875 nan 8.150 nan 0.000 0.458 21 T N -6.216 108.375 114.554 0.062 0.000 3.003 21 T HA 0.335 4.694 4.350 0.014 0.000 0.261 21 T C -0.101 174.660 174.700 0.101 0.000 1.003 21 T CA -0.114 62.027 62.100 0.068 0.000 0.917 21 T CB -0.131 68.777 68.868 0.066 0.000 1.084 21 T HN 0.269 nan 8.240 nan 0.000 0.522 22 Y N 0.399 120.673 120.300 -0.043 0.000 2.386 22 Y HA 0.608 5.166 4.550 0.014 0.000 0.334 22 Y C -1.425 174.410 175.900 -0.108 0.000 1.002 22 Y CA -1.502 56.561 58.100 -0.062 0.000 1.068 22 Y CB 1.761 40.181 38.460 -0.068 0.000 1.203 22 Y HN 0.302 nan 8.280 nan 0.000 0.443 23 c N 7.025 125.325 118.600 -0.501 0.000 2.783 23 c HA 0.417 4.995 4.570 0.014 0.000 0.312 23 c C -1.100 172.705 174.090 -0.476 0.000 1.182 23 c CA -0.777 55.349 56.329 -0.338 0.000 1.432 23 c CB 0.757 43.173 42.510 -0.156 0.000 1.933 23 c HN 0.936 nan 8.230 nan 0.000 0.473 24 D N 2.937 123.207 120.400 -0.216 0.000 2.399 24 D HA 0.414 5.062 4.640 0.014 0.000 0.241 24 D C -0.222 175.969 176.300 -0.180 0.000 1.133 24 D CA 0.311 54.217 54.000 -0.158 0.000 0.890 24 D CB 1.233 42.028 40.800 -0.009 0.000 1.201 24 D HN 0.774 nan 8.370 nan 0.000 0.432 25 S N -0.073 115.500 115.700 -0.212 0.000 2.625 25 S HA 0.570 5.049 4.470 0.014 0.000 0.271 25 S C -0.659 173.753 174.600 -0.313 0.000 1.161 25 S CA -1.002 57.083 58.200 -0.191 0.000 0.820 25 S CB 0.626 63.792 63.200 -0.057 0.000 1.137 25 S HN 0.329 nan 8.310 nan 0.000 0.470 35 G N 1.016 109.872 108.800 0.094 0.000 2.205 35 G HA2 0.068 4.036 3.960 0.014 0.000 0.269 35 G HA3 0.068 4.036 3.960 0.014 0.000 0.269 35 G C 0.793 175.742 174.900 0.082 0.000 0.977 35 G CA 1.443 46.591 45.100 0.081 0.000 0.652 35 G HN 3.066 nan 8.290 nan 0.000 0.539 36 T N -1.487 113.122 114.554 0.092 0.000 2.940 36 T HA 0.785 5.144 4.350 0.014 0.000 0.288 36 T C -0.171 174.624 174.700 0.158 0.000 1.045 36 T CA -0.411 61.711 62.100 0.036 0.000 1.018 36 T CB 2.274 71.103 68.868 -0.065 0.000 1.151 36 T HN 1.339 nan 8.240 nan 0.000 0.529 37 F N -0.599 119.389 119.950 0.063 0.000 2.556 37 F HA 0.856 5.391 4.527 0.014 0.000 0.327 37 F C -0.406 175.448 175.800 0.089 0.000 1.059 37 F CA -1.165 56.915 58.000 0.133 0.000 0.953 37 F CB 1.294 40.353 39.000 0.099 0.000 1.227 37 F HN 0.567 nan 8.300 nan 0.000 0.478 38 S N 1.755 117.617 115.700 0.271 0.000 2.578 38 S HA 0.568 5.047 4.470 0.014 0.000 0.283 38 S C -0.770 173.927 174.600 0.163 0.000 1.195 38 S CA -0.880 57.361 58.200 0.069 0.000 1.050 38 S CB 1.301 64.509 63.200 0.014 0.000 1.012 38 S HN 0.754 nan 8.310 nan 0.000 0.511 39 R N 1.811 122.231 120.500 -0.134 0.000 2.513 39 R HA 0.377 4.726 4.340 0.014 0.000 0.301 39 R C -1.989 174.004 176.300 -0.511 0.000 0.968 39 R CA -0.438 55.462 56.100 -0.333 0.000 0.872 39 R CB 0.746 30.891 30.300 -0.258 0.000 1.177 39 R HN 0.650 nan 8.270 nan 0.000 0.444 40 Y N 1.879 121.971 120.300 -0.348 0.000 2.330 40 Y HA 0.301 4.860 4.550 0.015 0.000 0.336 40 Y C 0.113 175.995 175.900 -0.030 0.000 1.036 40 Y CA -0.380 57.630 58.100 -0.150 0.000 1.125 40 Y CB 1.781 40.152 38.460 -0.148 0.000 1.194 40 Y HN 0.548 nan 8.280 nan 0.000 0.469 41 E N 1.744 122.047 120.200 0.172 0.000 2.256 41 E HA 0.639 4.997 4.350 0.014 0.000 0.268 41 E C -1.562 175.230 176.600 0.320 0.000 0.877 41 E CA -0.602 55.916 56.400 0.197 0.000 0.757 41 E CB 1.291 30.957 29.700 -0.056 0.000 1.183 41 E HN 0.593 nan 8.360 nan 0.000 0.418 42 S N 2.037 117.960 115.700 0.372 0.000 2.521 42 S HA 0.611 5.090 4.470 0.014 0.000 0.295 42 S C -0.865 173.939 174.600 0.340 0.000 1.098 42 S CA -0.759 57.660 58.200 0.364 0.000 0.999 42 S CB 1.787 65.292 63.200 0.509 0.000 1.034 42 S HN 0.649 nan 8.310 nan 0.000 0.483 43 T N -1.070 113.550 114.554 0.111 0.000 2.906 43 T HA 0.504 4.863 4.350 0.014 0.000 0.295 43 T C 0.743 174.837 174.700 -1.011 0.000 1.075 43 T CA -0.993 60.951 62.100 -0.261 0.000 1.005 43 T CB 1.740 70.526 68.868 -0.137 0.000 1.136 43 T HN 0.463 nan 8.240 nan 0.000 0.498 44 R N 0.888 120.406 120.500 -1.637 0.000 2.117 44 R HA -0.131 4.218 4.340 0.014 0.000 0.243 44 R C 2.273 178.214 176.300 -0.598 0.000 1.143 44 R CA 2.159 57.329 56.100 -1.550 0.000 0.968 44 R CB -0.597 28.972 30.300 -1.218 0.000 0.863 44 R HN 0.813 nan 8.270 nan 0.000 0.444 45 S N -1.839 113.633 115.700 -0.381 0.000 2.547 45 S HA 0.067 4.545 4.470 0.014 0.000 0.235 45 S C 1.244 175.757 174.600 -0.146 0.000 0.980 45 S CA 0.767 58.852 58.200 -0.191 0.000 0.941 45 S CB 0.582 63.709 63.200 -0.122 0.000 0.763 45 S HN 0.614 nan 8.310 nan 0.000 0.532 46 G N 0.559 109.260 108.800 -0.165 0.000 2.367 46 G HA2 -0.135 3.833 3.960 0.014 0.000 0.181 46 G HA3 -0.135 3.833 3.960 0.014 0.000 0.181 46 G C 0.046 174.907 174.900 -0.065 0.000 1.000 46 G CA -0.638 44.410 45.100 -0.087 0.000 0.693 46 G HN 0.504 nan 8.290 nan 0.000 0.480 47 R N 0.684 121.151 120.500 -0.055 0.000 2.491 47 R HA 0.565 4.914 4.340 0.014 0.000 0.283 47 R C -0.230 176.074 176.300 0.005 0.000 1.072 47 R CA -0.028 56.063 56.100 -0.016 0.000 1.048 47 R CB 0.427 30.737 30.300 0.016 0.000 0.983 47 R HN -0.013 nan 8.270 nan 0.000 0.450 48 R N 3.854 124.332 120.500 -0.036 0.000 2.412 48 R HA 0.186 4.534 4.340 0.014 0.000 0.304 48 R C -0.062 176.261 176.300 0.038 0.000 1.066 48 R CA -0.525 55.496 56.100 -0.132 0.000 0.923 48 R CB 1.225 31.249 30.300 -0.459 0.000 1.156 48 R HN 0.797 nan 8.270 nan 0.000 0.513 49 M N 0.704 120.453 119.600 0.248 0.000 2.169 49 M HA -0.260 4.229 4.480 0.014 0.000 0.196 49 M C -0.455 176.064 176.300 0.366 0.000 0.355 49 M CA 1.254 56.781 55.300 0.379 0.000 0.396 49 M CB -1.339 31.542 32.600 0.468 0.000 1.125 49 M HN 0.450 nan 8.290 nan 0.000 0.939 50 E N 1.015 121.328 120.200 0.189 0.000 2.316 50 E HA 0.338 4.697 4.350 0.014 0.000 0.275 50 E C -0.254 176.302 176.600 -0.074 0.000 1.029 50 E CA -0.515 55.923 56.400 0.064 0.000 0.871 50 E CB 1.008 30.714 29.700 0.010 0.000 1.022 50 E HN 0.283 nan 8.360 nan 0.000 0.418 51 L N 3.295 124.413 121.223 -0.175 0.000 2.326 51 L HA 0.283 4.631 4.340 0.014 0.000 0.278 51 L C -0.389 176.295 176.870 -0.311 0.000 1.092 51 L CA 0.378 54.928 54.840 -0.483 0.000 0.810 51 L CB 0.965 42.775 42.059 -0.415 0.000 1.153 51 L HN 0.568 nan 8.230 nan 0.000 0.439 52 S N 4.368 119.859 115.700 -0.347 0.000 2.720 52 S HA 0.862 5.341 4.470 0.014 0.000 0.287 52 S C -0.689 173.747 174.600 -0.273 0.000 1.168 52 S CA -1.019 57.038 58.200 -0.238 0.000 0.832 52 S CB 1.444 64.540 63.200 -0.173 0.000 1.166 52 S HN 0.629 nan 8.310 nan 0.000 0.493 53 M N 0.001 119.434 119.600 -0.278 0.000 2.593 53 M HA 0.751 5.239 4.480 0.014 0.000 0.290 53 M C -0.161 175.781 176.300 -0.595 0.000 1.244 53 M CA -0.367 54.672 55.300 -0.435 0.000 0.857 53 M CB 2.804 35.223 32.600 -0.303 0.000 1.738 53 M HN 1.107 nan 8.290 nan 0.000 0.461 54 G N 0.829 108.949 108.800 -1.134 0.000 2.695 54 G HA2 0.832 4.801 3.960 0.014 0.000 0.290 54 G HA3 0.832 4.801 3.960 0.014 0.000 0.290 54 G C -3.369 171.131 174.900 -0.666 0.000 1.410 54 G CA -1.071 43.467 45.100 -0.936 0.000 0.844 54 G HN 0.363 nan 8.290 nan 0.000 0.478 55 P HA 0.468 nan 4.420 nan 0.000 0.292 55 P C -0.392 177.027 177.300 0.198 0.000 1.283 55 P CA -0.492 62.620 63.100 0.019 0.000 0.835 55 P CB 2.095 33.808 31.700 0.022 0.000 1.017 56 I N 3.311 123.974 120.570 0.155 0.000 2.396 56 I HA 0.106 4.285 4.170 0.014 0.000 0.289 56 I C 1.069 177.235 176.117 0.081 0.000 1.056 56 I CA -0.266 61.088 61.300 0.090 0.000 1.365 56 I CB 0.483 38.491 38.000 0.014 0.000 1.407 56 I HN 0.178 nan 8.210 nan 0.000 0.509 57 Q N 4.895 124.758 119.800 0.105 0.000 2.227 57 Q HA 0.357 4.705 4.340 0.014 0.000 0.245 57 Q C 0.706 176.822 176.000 0.193 0.000 0.926 57 Q CA -0.406 55.474 55.803 0.127 0.000 0.895 57 Q CB 1.678 30.489 28.738 0.121 0.000 1.230 57 Q HN 0.796 nan 8.270 nan 0.000 0.450 58 A N 1.758 124.672 122.820 0.156 0.000 2.016 58 A HA 0.013 4.342 4.320 0.014 0.000 0.217 58 A C 1.008 178.771 177.584 0.297 0.000 1.162 58 A CA 1.526 53.679 52.037 0.193 0.000 0.662 58 A CB -0.515 18.551 19.000 0.110 0.000 0.812 58 A HN 0.852 nan 8.150 nan 0.000 0.450 59 N N -1.606 117.177 118.700 0.139 0.000 2.469 59 N HA 0.604 5.353 4.740 0.014 0.000 0.286 59 N C -0.930 174.307 175.510 -0.455 0.000 1.275 59 N CA -0.079 52.930 53.050 -0.068 0.000 0.790 59 N CB 0.985 39.440 38.487 -0.053 0.000 1.446 59 N HN 0.583 nan 8.380 nan 0.000 0.501 60 H N -0.766 117.804 119.070 -0.834 0.000 3.026 60 H HA 0.656 5.220 4.556 0.014 0.000 0.352 60 H C -1.435 173.629 175.328 -0.441 0.000 1.090 60 H CA -0.118 55.443 56.048 -0.811 0.000 1.268 60 H CB 1.747 30.623 29.762 -1.475 0.000 1.816 60 H HN 0.688 nan 8.280 nan 0.000 0.518 61 T N 3.211 117.196 114.554 -0.948 0.000 2.900 61 T HA 0.771 5.129 4.350 0.014 0.000 0.295 61 T C -0.233 174.035 174.700 -0.721 0.000 1.044 61 T CA -0.163 61.520 62.100 -0.694 0.000 0.995 61 T CB 1.602 70.271 68.868 -0.332 0.000 1.072 61 T HN 1.167 nan 8.240 nan 0.000 0.473 62 G N 0.659 109.196 108.800 -0.439 0.000 2.340 62 G HA2 0.246 4.214 3.960 0.014 0.000 0.527 62 G HA3 0.246 4.214 3.960 0.014 0.000 0.527 62 G C 0.109 174.950 174.900 -0.097 0.000 1.381 62 G CA -0.046 44.919 45.100 -0.225 0.000 1.001 62 G HN 1.068 nan 8.290 nan 0.000 0.626 63 T N -1.538 112.999 114.554 -0.027 0.000 3.176 63 T HA 0.581 4.940 4.350 0.014 0.000 0.263 63 T C 1.277 176.000 174.700 0.038 0.000 1.021 63 T CA 1.107 63.214 62.100 0.011 0.000 0.905 63 T CB 0.356 69.223 68.868 -0.003 0.000 1.057 63 T HN 1.709 nan 8.240 nan 0.000 0.558 64 G N 1.564 110.401 108.800 0.062 0.000 2.621 64 G HA2 0.482 4.450 3.960 0.014 0.000 0.271 64 G HA3 0.482 4.450 3.960 0.014 0.000 0.271 64 G C -0.226 174.704 174.900 0.049 0.000 1.236 64 G CA -0.955 44.175 45.100 0.050 0.000 0.958 64 G HN 0.496 nan 8.290 nan 0.000 0.512 65 L N -0.455 120.781 121.223 0.022 0.000 2.601 65 L HA 0.302 4.651 4.340 0.014 0.000 0.277 65 L C -0.272 176.588 176.870 -0.017 0.000 1.219 65 L CA 0.076 54.919 54.840 0.006 0.000 0.915 65 L CB 0.345 42.401 42.059 -0.005 0.000 1.160 65 L HN 0.328 nan 8.230 nan 0.000 0.494 66 L N 6.393 127.608 121.223 -0.012 0.000 2.356 66 L HA 0.553 4.902 4.340 0.014 0.000 0.277 66 L C -1.255 175.596 176.870 -0.032 0.000 0.996 66 L CA -0.253 54.561 54.840 -0.044 0.000 0.822 66 L CB 1.478 43.539 42.059 0.003 0.000 1.256 66 L HN 0.542 nan 8.230 nan 0.000 0.413 67 L N 4.847 126.034 121.223 -0.060 0.000 2.287 67 L HA 0.546 4.894 4.340 0.014 0.000 0.287 67 L C -0.323 176.524 176.870 -0.039 0.000 1.022 67 L CA -0.422 54.394 54.840 -0.040 0.000 0.814 67 L CB 1.639 43.670 42.059 -0.047 0.000 1.217 67 L HN 0.592 nan 8.230 nan 0.000 0.420 68 T N 3.910 118.457 114.554 -0.012 0.000 2.779 68 T HA 0.383 4.741 4.350 0.014 0.000 0.280 68 T C -0.134 174.574 174.700 0.014 0.000 0.987 68 T CA -0.518 61.574 62.100 -0.013 0.000 0.966 68 T CB 1.606 70.473 68.868 -0.002 0.000 0.933 68 T HN 0.184 nan 8.240 nan 0.000 0.442 69 L N 3.581 124.819 121.223 0.026 0.000 2.456 69 L HA 0.178 4.526 4.340 0.014 0.000 0.272 69 L C 0.388 177.285 176.870 0.044 0.000 1.189 69 L CA 0.707 55.582 54.840 0.059 0.000 0.846 69 L CB 0.405 42.528 42.059 0.107 0.000 1.111 69 L HN 0.633 nan 8.230 nan 0.000 0.475 70 Q N 6.379 126.213 119.800 0.058 0.000 2.700 70 Q HA 0.258 4.606 4.340 0.014 0.000 0.249 70 Q C -1.724 174.303 176.000 0.044 0.000 1.033 70 Q CA -1.511 54.321 55.803 0.049 0.000 0.804 70 Q CB 1.126 29.901 28.738 0.061 0.000 1.164 70 Q HN 0.475 nan 8.270 nan 0.000 0.500 71 P HA -0.210 nan 4.420 nan 0.000 0.226 71 P C 0.886 178.185 177.300 -0.002 0.000 1.153 71 P CA 1.173 64.285 63.100 0.020 0.000 0.777 71 P CB 0.440 32.152 31.700 0.021 0.000 0.794 72 E N -0.318 119.877 120.200 -0.009 0.000 2.299 72 E HA -0.073 4.286 4.350 0.014 0.000 0.193 72 E C 0.466 177.019 176.600 -0.079 0.000 0.998 72 E CA 0.599 56.979 56.400 -0.033 0.000 0.851 72 E CB -0.695 28.993 29.700 -0.021 0.000 0.795 72 E HN 0.201 nan 8.360 nan 0.000 0.492 73 Q N 1.943 121.693 119.800 -0.085 0.000 2.286 73 Q HA 0.181 4.529 4.340 0.014 0.000 0.265 73 Q C -0.389 175.388 176.000 -0.372 0.000 1.080 73 Q CA 0.363 56.027 55.803 -0.232 0.000 0.906 73 Q CB 0.823 29.504 28.738 -0.094 0.000 1.227 73 Q HN 0.056 nan 8.270 nan 0.000 0.409 74 K N 3.418 123.514 120.400 -0.507 0.000 2.274 74 K HA 0.457 4.786 4.320 0.014 0.000 0.262 74 K C -0.225 176.075 176.600 -0.500 0.000 0.961 74 K CA -0.310 55.777 56.287 -0.333 0.000 0.833 74 K CB 1.086 33.489 32.500 -0.162 0.000 1.102 74 K HN 0.284 nan 8.250 nan 0.000 0.436 75 F N 0.514 120.483 119.950 0.031 0.000 2.914 75 F HA 0.162 4.697 4.527 0.014 0.000 0.151 75 F C 1.140 176.974 175.800 0.056 0.000 1.533 75 F CA -0.417 57.614 58.000 0.051 0.000 0.998 75 F CB -0.130 38.885 39.000 0.024 0.000 1.957 75 F HN 0.321 nan 8.300 nan 0.000 0.325 76 Q N 2.269 122.237 119.800 0.280 0.000 2.260 76 Q HA 0.276 4.625 4.340 0.014 0.000 0.242 76 Q C -1.340 174.732 176.000 0.120 0.000 0.932 76 Q CA -0.387 55.517 55.803 0.170 0.000 0.891 76 Q CB 1.330 30.159 28.738 0.151 0.000 1.222 76 Q HN 0.436 nan 8.270 nan 0.000 0.453 77 K N 1.452 121.907 120.400 0.092 0.000 2.205 77 K HA 0.348 4.677 4.320 0.014 0.000 0.279 77 K C -0.522 176.108 176.600 0.049 0.000 1.027 77 K CA -0.692 55.632 56.287 0.062 0.000 0.932 77 K CB 1.578 34.107 32.500 0.048 0.000 1.032 77 K HN 0.423 nan 8.250 nan 0.000 0.466 78 V N 3.858 123.788 119.914 0.027 0.000 2.530 78 V HA -0.013 4.115 4.120 0.014 0.000 0.282 78 V C 1.327 177.388 176.094 -0.055 0.000 1.048 78 V CA 0.049 62.342 62.300 -0.012 0.000 0.997 78 V CB 1.134 32.964 31.823 0.012 0.000 0.987 78 V HN 0.748 nan 8.190 nan 0.000 0.477 79 K N 3.748 124.098 120.400 -0.083 0.000 2.067 79 K HA 0.332 4.661 4.320 0.014 0.000 0.203 79 K C 0.702 177.165 176.600 -0.229 0.000 1.048 79 K CA 1.471 57.658 56.287 -0.167 0.000 0.954 79 K CB -0.107 32.304 32.500 -0.148 0.000 0.737 79 K HN 1.005 nan 8.250 nan 0.000 0.444 80 G N -2.104 106.515 108.800 -0.301 0.000 2.352 80 G HA2 0.267 4.236 3.960 0.014 0.000 0.283 80 G HA3 0.267 4.236 3.960 0.014 0.000 0.283 80 G C -1.545 172.919 174.900 -0.727 0.000 1.308 80 G CA -0.819 44.065 45.100 -0.361 0.000 0.892 80 G HN 0.027 nan 8.290 nan 0.000 0.504 81 F N -0.283 119.634 119.950 -0.055 0.000 2.601 81 F HA 0.838 5.373 4.527 0.014 0.000 0.309 81 F C 0.790 176.350 175.800 -0.400 0.000 1.089 81 F CA 0.458 58.366 58.000 -0.154 0.000 0.940 81 F CB 2.361 41.298 39.000 -0.106 0.000 1.273 81 F HN 1.261 nan 8.300 nan 0.000 0.450 82 G N 0.068 108.591 108.800 -0.461 0.000 2.512 82 G HA2 0.605 4.574 3.960 0.014 0.000 0.186 82 G HA3 0.605 4.574 3.960 0.014 0.000 0.186 82 G C -1.086 173.382 174.900 -0.721 0.000 1.189 82 G CA 0.024 44.471 45.100 -1.087 0.000 0.994 82 G HN 1.148 nan 8.290 nan 0.000 0.506 83 G N -1.587 107.018 108.800 -0.324 0.000 2.606 83 G HA2 0.741 4.710 3.960 0.014 0.000 0.300 83 G HA3 0.741 4.710 3.960 0.014 0.000 0.300 83 G C -1.348 173.571 174.900 0.032 0.000 1.360 83 G CA 0.507 45.553 45.100 -0.090 0.000 0.783 83 G HN 1.776 nan 8.290 nan 0.000 0.484 84 A N -0.302 122.537 122.820 0.031 0.000 2.288 84 A HA 0.650 4.979 4.320 0.014 0.000 0.320 84 A C -0.205 177.346 177.584 -0.056 0.000 1.217 84 A CA -0.593 51.476 52.037 0.053 0.000 0.840 84 A CB 1.302 20.378 19.000 0.127 0.000 1.179 84 A HN 0.853 nan 8.150 nan 0.000 0.504 85 M N 4.117 123.736 119.600 0.031 0.000 3.396 85 M HA 0.218 4.706 4.480 0.014 0.000 0.255 85 M C 0.648 176.941 176.300 -0.011 0.000 1.398 85 M CA -0.108 55.201 55.300 0.016 0.000 1.554 85 M CB -0.715 31.933 32.600 0.080 0.000 1.070 85 M HN 0.748 nan 8.290 nan 0.000 0.587 86 T N -1.106 113.354 114.554 -0.157 0.000 2.813 86 T HA 0.203 4.562 4.350 0.014 0.000 0.297 86 T C 0.844 175.510 174.700 -0.056 0.000 1.036 86 T CA -0.571 61.422 62.100 -0.178 0.000 1.044 86 T CB 0.653 69.261 68.868 -0.433 0.000 0.993 86 T HN 0.511 nan 8.240 nan 0.000 0.535 87 D N 1.264 121.665 120.400 0.001 0.000 2.133 87 D HA -0.154 4.494 4.640 0.014 0.000 0.192 87 D C 2.353 178.678 176.300 0.040 0.000 1.001 87 D CA 1.990 56.022 54.000 0.053 0.000 0.844 87 D CB -0.914 39.946 40.800 0.099 0.000 0.944 87 D HN 0.762 nan 8.370 nan 0.000 0.447 88 A N 0.878 123.728 122.820 0.050 0.000 1.902 88 A HA -0.036 4.293 4.320 0.014 0.000 0.217 88 A C 2.327 179.917 177.584 0.008 0.000 1.181 88 A CA 2.437 54.524 52.037 0.083 0.000 0.623 88 A CB -0.781 18.371 19.000 0.253 0.000 0.818 88 A HN 0.255 nan 8.150 nan 0.000 0.443 89 A N -0.184 122.591 122.820 -0.074 0.000 1.902 89 A HA 0.179 4.507 4.320 0.014 0.000 0.217 89 A C 2.513 180.083 177.584 -0.022 0.000 1.181 89 A CA 2.079 54.072 52.037 -0.074 0.000 0.623 89 A CB -1.022 17.905 19.000 -0.122 0.000 0.818 89 A HN 1.043 nan 8.150 nan 0.000 0.443 90 A N -0.273 122.543 122.820 -0.007 0.000 1.902 90 A HA -0.044 4.285 4.320 0.014 0.000 0.217 90 A C 2.165 179.755 177.584 0.011 0.000 1.181 90 A CA 1.508 53.552 52.037 0.012 0.000 0.623 90 A CB -0.642 18.374 19.000 0.027 0.000 0.818 90 A HN 0.462 nan 8.150 nan 0.000 0.443 91 L N -0.166 121.068 121.223 0.018 0.000 2.083 91 L HA -0.213 4.135 4.340 0.014 0.000 0.209 91 L C 2.432 179.309 176.870 0.012 0.000 1.083 91 L CA 1.202 56.054 54.840 0.020 0.000 0.752 91 L CB -0.541 41.538 42.059 0.034 0.000 0.899 91 L HN 0.422 nan 8.230 nan 0.000 0.433 92 N N 0.180 118.884 118.700 0.007 0.000 2.109 92 N HA -0.102 4.646 4.740 0.014 0.000 0.188 92 N C 1.962 177.458 175.510 -0.023 0.000 1.034 92 N CA 1.379 54.428 53.050 -0.003 0.000 0.846 92 N CB -0.124 38.361 38.487 -0.003 0.000 1.010 92 N HN 0.282 nan 8.380 nan 0.000 0.425 93 I N 1.450 122.000 120.570 -0.033 0.000 2.163 93 I HA -0.243 3.935 4.170 0.014 0.000 0.243 93 I C 1.895 177.989 176.117 -0.038 0.000 1.085 93 I CA 1.001 62.266 61.300 -0.059 0.000 1.347 93 I CB -0.250 37.726 38.000 -0.042 0.000 1.044 93 I HN 0.053 nan 8.210 nan 0.000 0.408 94 L N 0.416 121.631 121.223 -0.014 0.000 2.551 94 L HA -0.068 4.281 4.340 0.014 0.000 0.228 94 L C 2.423 179.292 176.870 -0.001 0.000 1.153 94 L CA 0.409 55.246 54.840 -0.005 0.000 0.851 94 L CB -0.488 41.573 42.059 0.003 0.000 0.959 94 L HN 0.231 nan 8.230 nan 0.000 0.451 95 A N -0.449 122.370 122.820 -0.002 0.000 2.132 95 A HA 0.183 4.511 4.320 0.014 0.000 0.213 95 A C 1.117 178.704 177.584 0.005 0.000 1.154 95 A CA 0.027 52.066 52.037 0.004 0.000 0.753 95 A CB -0.070 18.934 19.000 0.006 0.000 0.826 95 A HN 0.229 nan 8.150 nan 0.000 0.469 96 L N 0.824 122.046 121.223 -0.001 0.000 2.466 96 L HA 0.214 4.562 4.340 0.014 0.000 0.257 96 L C 1.183 178.062 176.870 0.016 0.000 1.189 96 L CA -0.344 54.503 54.840 0.012 0.000 0.813 96 L CB 0.763 42.826 42.059 0.006 0.000 1.118 96 L HN 0.374 nan 8.230 nan 0.000 0.471 97 S N 0.282 115.998 115.700 0.028 0.000 2.593 97 S HA 0.178 4.657 4.470 0.014 0.000 0.269 97 S C -1.965 172.650 174.600 0.025 0.000 1.334 97 S CA -1.019 57.196 58.200 0.025 0.000 1.015 97 S CB 0.892 64.110 63.200 0.030 0.000 0.912 97 S HN 0.394 nan 8.310 nan 0.000 0.541 98 P HA 0.018 nan 4.420 nan 0.000 0.218 98 P C -1.596 175.720 177.300 0.027 0.000 1.148 98 P CA 1.011 64.123 63.100 0.019 0.000 0.822 98 P CB -0.922 30.788 31.700 0.016 0.000 0.784 99 P HA -0.072 nan 4.420 nan 0.000 0.219 99 P C 1.352 178.692 177.300 0.066 0.000 1.150 99 P CA 1.515 64.641 63.100 0.043 0.000 0.814 99 P CB -0.518 31.206 31.700 0.040 0.000 0.787 100 A N -0.135 122.736 122.820 0.084 0.000 1.929 100 A HA -0.214 4.114 4.320 0.014 0.000 0.216 100 A C 2.241 179.876 177.584 0.086 0.000 1.176 100 A CA 1.303 53.436 52.037 0.161 0.000 0.628 100 A CB -1.262 17.848 19.000 0.183 0.000 0.816 100 A HN 0.150 nan 8.150 nan 0.000 0.444 101 Q N -0.057 119.747 119.800 0.007 0.000 2.077 101 Q HA -0.223 4.126 4.340 0.014 0.000 0.206 101 Q C 1.795 177.778 176.000 -0.028 0.000 0.989 101 Q CA 1.654 57.427 55.803 -0.051 0.000 0.853 101 Q CB -0.307 28.420 28.738 -0.019 0.000 0.907 101 Q HN 0.611 nan 8.270 nan 0.000 0.418 102 N N 0.460 119.172 118.700 0.019 0.000 2.166 102 N HA -0.101 4.648 4.740 0.014 0.000 0.186 102 N C 1.790 177.331 175.510 0.052 0.000 1.019 102 N CA 0.953 54.026 53.050 0.038 0.000 0.856 102 N CB -0.155 38.356 38.487 0.041 0.000 0.993 102 N HN 0.237 nan 8.380 nan 0.000 0.426 103 L N 0.444 121.714 121.223 0.079 0.000 2.141 103 L HA -0.053 4.295 4.340 0.014 0.000 0.209 103 L C 2.347 179.286 176.870 0.115 0.000 1.094 103 L CA 0.517 55.435 54.840 0.130 0.000 0.763 103 L CB -0.317 41.867 42.059 0.210 0.000 0.908 103 L HN 0.146 nan 8.230 nan 0.000 0.437 104 L N -0.280 120.872 121.223 -0.118 0.000 2.027 104 L HA -0.195 4.153 4.340 0.014 0.000 0.206 104 L C 2.462 179.253 176.870 -0.131 0.000 1.074 104 L CA 1.323 55.866 54.840 -0.494 0.000 0.745 104 L CB -0.048 41.372 42.059 -1.064 0.000 0.898 104 L HN 0.166 nan 8.230 nan 0.000 0.433 105 L N -0.250 120.989 121.223 0.027 0.000 2.083 105 L HA -0.223 4.125 4.340 0.014 0.000 0.209 105 L C 2.582 179.618 176.870 0.277 0.000 1.083 105 L CA 1.335 56.333 54.840 0.263 0.000 0.752 105 L CB -0.457 41.739 42.059 0.229 0.000 0.899 105 L HN 0.231 nan 8.230 nan 0.000 0.433 106 K N -0.452 120.038 120.400 0.149 0.000 2.097 106 K HA -0.102 4.227 4.320 0.014 0.000 0.205 106 K C 2.300 178.959 176.600 0.099 0.000 1.050 106 K CA 1.299 57.667 56.287 0.135 0.000 0.938 106 K CB -0.133 32.425 32.500 0.096 0.000 0.718 106 K HN 0.113 nan 8.250 nan 0.000 0.442 107 S N 0.347 116.068 115.700 0.034 0.000 2.365 107 S HA -0.180 4.298 4.470 0.014 0.000 0.225 107 S C 1.779 176.389 174.600 0.017 0.000 1.039 107 S CA 1.413 59.619 58.200 0.011 0.000 1.033 107 S CB -0.312 62.751 63.200 -0.228 0.000 0.887 107 S HN 0.335 nan 8.310 nan 0.000 0.447 108 Y N -1.044 119.167 120.300 -0.148 0.000 2.206 108 Y HA 0.054 4.613 4.550 0.014 0.000 0.292 108 Y C 1.803 177.285 175.900 -0.696 0.000 1.123 108 Y CA 0.850 58.532 58.100 -0.698 0.000 1.142 108 Y CB -0.015 37.781 38.460 -1.106 0.000 1.006 108 Y HN 0.214 nan 8.280 nan 0.000 0.518 109 F N -1.268 118.767 119.950 0.142 0.000 2.653 109 F HA 0.080 4.616 4.527 0.015 0.000 0.288 109 F C 1.475 177.320 175.800 0.074 0.000 1.121 109 F CA -0.184 57.890 58.000 0.123 0.000 1.384 109 F CB 0.000 39.074 39.000 0.123 0.000 1.115 109 F HN -0.204 nan 8.300 nan 0.000 0.599 110 S N 0.587 116.404 115.700 0.195 0.000 2.655 110 S HA 0.389 4.868 4.470 0.014 0.000 0.265 110 S C 1.186 175.824 174.600 0.063 0.000 1.240 110 S CA 0.155 58.431 58.200 0.127 0.000 0.986 110 S CB 1.260 64.530 63.200 0.117 0.000 0.985 110 S HN 0.273 nan 8.310 nan 0.000 0.562 111 E N -0.303 119.925 120.200 0.047 0.000 2.274 111 E HA 0.077 4.435 4.350 0.014 0.000 0.194 111 E C 1.943 178.566 176.600 0.038 0.000 0.996 111 E CA 1.373 57.774 56.400 0.002 0.000 0.840 111 E CB -1.644 28.061 29.700 0.009 0.000 0.772 111 E HN 0.994 nan 8.360 nan 0.000 0.491 112 E N 0.207 120.470 120.200 0.105 0.000 2.435 112 E HA 0.377 4.735 4.350 0.014 0.000 0.195 112 E C 1.599 178.395 176.600 0.327 0.000 1.029 112 E CA 0.657 57.176 56.400 0.200 0.000 0.865 112 E CB -0.178 29.600 29.700 0.130 0.000 0.833 112 E HN 0.635 nan 8.360 nan 0.000 0.510 113 G N 0.114 109.041 108.800 0.212 0.000 3.019 113 G HA2 0.428 4.397 3.960 0.014 0.000 0.152 113 G HA3 0.428 4.397 3.960 0.014 0.000 0.152 113 G C 0.985 175.927 174.900 0.071 0.000 1.320 113 G CA 0.177 45.423 45.100 0.243 0.000 1.013 113 G HN 0.679 nan 8.290 nan 0.000 0.593 114 I N -2.560 117.959 120.570 -0.086 0.000 3.928 114 I HA 0.476 4.654 4.170 0.014 0.000 0.335 114 I C 1.242 177.202 176.117 -0.262 0.000 1.325 114 I CA 0.371 61.487 61.300 -0.307 0.000 1.107 114 I CB 0.431 38.125 38.000 -0.511 0.000 1.014 114 I HN 0.790 nan 8.210 nan 0.000 0.400 115 G N 1.220 109.934 108.800 -0.144 0.000 2.198 115 G HA2 -0.315 3.653 3.960 0.014 0.000 0.257 115 G HA3 -0.315 3.653 3.960 0.014 0.000 0.257 115 G C 0.077 175.053 174.900 0.126 0.000 1.042 115 G CA -0.121 44.957 45.100 -0.035 0.000 0.791 115 G HN 0.624 nan 8.290 nan 0.000 0.502 116 Y N 0.369 120.615 120.300 -0.090 0.000 2.903 116 Y HA -0.008 4.550 4.550 0.014 0.000 0.338 116 Y C 1.694 177.684 175.900 0.149 0.000 1.265 116 Y CA 0.712 58.790 58.100 -0.038 0.000 1.532 116 Y CB 0.472 38.720 38.460 -0.353 0.000 1.293 116 Y HN 0.481 nan 8.280 nan 0.000 0.609 117 N N 2.682 121.522 118.700 0.232 0.000 2.167 117 N HA 0.171 4.920 4.740 0.014 0.000 0.234 117 N C -0.973 174.581 175.510 0.073 0.000 1.312 117 N CA 0.131 53.277 53.050 0.159 0.000 0.861 117 N CB 0.284 38.810 38.487 0.064 0.000 1.217 117 N HN 0.475 nan 8.380 nan 0.000 0.504 118 I N 1.329 121.949 120.570 0.083 0.000 2.533 118 I HA 0.470 4.649 4.170 0.014 0.000 0.290 118 I C -0.844 175.353 176.117 0.132 0.000 1.056 118 I CA -0.796 60.545 61.300 0.067 0.000 1.057 118 I CB 2.340 40.377 38.000 0.062 0.000 1.240 118 I HN -0.147 nan 8.210 nan 0.000 0.423 119 I N 5.664 126.328 120.570 0.157 0.000 2.447 119 I HA 0.417 4.595 4.170 0.014 0.000 0.287 119 I C -0.175 176.069 176.117 0.211 0.000 1.023 119 I CA -0.586 60.816 61.300 0.170 0.000 1.083 119 I CB 1.922 39.993 38.000 0.119 0.000 1.245 119 I HN 0.513 nan 8.210 nan 0.000 0.434 120 R N 5.628 126.268 120.500 0.234 0.000 2.297 120 R HA 0.627 4.976 4.340 0.014 0.000 0.308 120 R C -1.368 175.118 176.300 0.310 0.000 1.029 120 R CA -0.401 55.884 56.100 0.308 0.000 0.929 120 R CB 1.260 31.765 30.300 0.342 0.000 1.046 120 R HN 0.444 nan 8.270 nan 0.000 0.461 121 V N 7.363 127.493 119.914 0.361 0.000 2.378 121 V HA 0.337 4.466 4.120 0.014 0.000 0.288 121 V C -2.189 174.076 176.094 0.285 0.000 1.016 121 V CA -2.260 60.241 62.300 0.334 0.000 0.840 121 V CB 1.556 33.658 31.823 0.465 0.000 0.994 121 V HN 0.822 nan 8.190 nan 0.000 0.431 122 P HA 0.247 nan 4.420 nan 0.000 0.271 122 P C -0.368 176.975 177.300 0.073 0.000 1.218 122 P CA -0.088 63.129 63.100 0.194 0.000 0.780 122 P CB 0.425 32.052 31.700 -0.122 0.000 0.901 123 M N 2.995 122.559 119.600 -0.059 0.000 2.261 123 M HA 0.458 4.947 4.480 0.014 0.000 0.349 123 M C 0.529 176.717 176.300 -0.187 0.000 1.305 123 M CA 0.242 55.398 55.300 -0.240 0.000 1.240 123 M CB -0.511 31.732 32.600 -0.595 0.000 1.394 123 M HN 0.594 nan 8.290 nan 0.000 0.438 124 A N 1.503 124.179 122.820 -0.241 0.000 6.058 124 A HA -0.145 4.184 4.320 0.014 0.000 0.237 124 A C 0.224 177.510 177.584 -0.496 0.000 2.308 124 A CA 0.167 51.856 52.037 -0.579 0.000 0.701 124 A CB -1.684 16.714 19.000 -1.004 0.000 0.931 124 A HN 0.880 nan 8.150 nan 0.000 0.347 125 S N -0.219 114.946 115.700 -0.892 0.000 2.584 125 S HA 0.622 5.101 4.470 0.014 0.000 0.273 125 S C 0.543 174.884 174.600 -0.431 0.000 1.311 125 S CA 0.281 58.027 58.200 -0.756 0.000 1.034 125 S CB 0.580 63.144 63.200 -1.059 0.000 0.939 125 S HN 2.541 nan 8.310 nan 0.000 0.513 126 C N 0.830 119.894 119.300 -0.394 0.000 3.301 126 C HA 0.651 5.120 4.460 0.014 0.000 0.367 126 C C 1.424 176.390 174.990 -0.041 0.000 1.980 126 C CA 0.013 58.758 59.018 -0.455 0.000 1.349 126 C CB 0.585 27.480 27.740 -1.408 0.000 2.412 126 C HN 0.882 nan 8.230 nan 0.000 0.451 127 D N 0.661 120.984 120.400 -0.128 0.000 2.178 127 D HA -0.135 4.513 4.640 0.014 0.000 0.201 127 D C 0.703 176.814 176.300 -0.316 0.000 0.980 127 D CA 1.234 55.027 54.000 -0.345 0.000 0.842 127 D CB -0.501 39.561 40.800 -1.230 0.000 0.948 127 D HN 0.591 nan 8.370 nan 0.000 0.472 128 F N 1.219 121.115 119.950 -0.089 0.000 2.833 128 F HA 0.286 4.821 4.527 0.013 0.000 0.327 128 F C 0.308 176.076 175.800 -0.055 0.000 1.184 128 F CA -0.029 57.922 58.000 -0.082 0.000 1.328 128 F CB 0.078 38.955 39.000 -0.205 0.000 1.440 128 F HN -0.262 nan 8.300 nan 0.000 0.569 129 S N 0.421 116.180 115.700 0.097 0.000 2.549 129 S HA 0.419 4.897 4.470 0.014 0.000 0.280 129 S C 0.822 175.509 174.600 0.145 0.000 1.109 129 S CA -0.717 57.544 58.200 0.101 0.000 0.905 129 S CB 1.673 64.876 63.200 0.005 0.000 1.081 129 S HN 0.417 nan 8.310 nan 0.000 0.477 130 I N -0.434 120.205 120.570 0.114 0.000 3.793 130 I HA 0.437 4.616 4.170 0.014 0.000 0.315 130 I C 0.589 176.736 176.117 0.049 0.000 1.275 130 I CA 0.223 61.591 61.300 0.113 0.000 1.214 130 I CB 0.100 38.154 38.000 0.090 0.000 1.018 130 I HN 0.321 nan 8.210 nan 0.000 0.439 131 R N 1.485 121.986 120.500 0.002 0.000 2.771 131 R HA 0.464 4.813 4.340 0.014 0.000 0.274 131 R C -0.901 175.276 176.300 -0.204 0.000 0.987 131 R CA -0.299 55.765 56.100 -0.060 0.000 0.908 131 R CB 1.820 32.153 30.300 0.055 0.000 1.213 131 R HN 0.241 nan 8.270 nan 0.000 0.468 132 T N 0.647 114.973 114.554 -0.381 0.000 2.829 132 T HA 0.617 4.975 4.350 0.014 0.000 0.282 132 T C -0.795 173.791 174.700 -0.190 0.000 0.990 132 T CA -0.473 61.315 62.100 -0.519 0.000 1.028 132 T CB 0.820 69.221 68.868 -0.780 0.000 0.951 132 T HN 0.578 nan 8.240 nan 0.000 0.460 133 Y N -1.024 119.137 120.300 -0.231 0.000 2.638 133 Y HA 0.644 5.206 4.550 0.020 0.000 0.334 133 Y C -0.457 175.336 175.900 -0.178 0.000 1.182 133 Y CA -1.072 56.932 58.100 -0.160 0.000 1.102 133 Y CB 0.521 38.908 38.460 -0.121 0.000 1.343 133 Y HN 0.948 nan 8.280 nan 0.000 0.463 134 T N -2.248 112.275 114.554 -0.051 0.000 2.804 134 T HA 0.439 4.798 4.350 0.014 0.000 0.272 134 T C -0.226 174.506 174.700 0.053 0.000 0.986 134 T CA -0.561 61.475 62.100 -0.107 0.000 0.999 134 T CB 0.945 69.792 68.868 -0.034 0.000 1.307 134 T HN 0.762 nan 8.240 nan 0.000 0.586 135 Y N -0.233 120.161 120.300 0.157 0.000 2.511 135 Y HA 0.489 5.044 4.550 0.009 0.000 0.279 135 Y C 1.628 177.405 175.900 -0.205 0.000 1.157 135 Y CA -0.258 57.665 58.100 -0.296 0.000 1.300 135 Y CB 0.381 38.126 38.460 -1.192 0.000 1.052 135 Y HN 0.742 nan 8.280 nan 0.000 0.529 136 A N -0.212 122.811 122.820 0.339 0.000 3.317 136 A HA 0.274 4.603 4.320 0.014 0.000 0.307 136 A C -0.212 177.684 177.584 0.520 0.000 1.003 136 A CA -0.462 51.856 52.037 0.468 0.000 0.882 136 A CB -0.178 19.269 19.000 0.745 0.000 1.136 136 A HN 0.121 nan 8.150 nan 0.000 0.488 137 D N 0.407 121.014 120.400 0.345 0.000 2.348 137 D HA 0.007 4.656 4.640 0.014 0.000 0.211 137 D C 0.390 176.859 176.300 0.282 0.000 0.998 137 D CA 0.892 55.086 54.000 0.324 0.000 0.873 137 D CB 0.264 41.171 40.800 0.180 0.000 0.925 137 D HN 0.419 nan 8.370 nan 0.000 0.524 138 T N 3.844 118.508 114.554 0.184 0.000 2.829 138 T HA 0.117 4.476 4.350 0.014 0.000 0.293 138 T C -2.370 172.137 174.700 -0.321 0.000 0.970 138 T CA -0.948 61.144 62.100 -0.013 0.000 1.168 138 T CB 1.019 69.877 68.868 -0.017 0.000 0.911 138 T HN -0.007 nan 8.240 nan 0.000 0.535 139 P HA 0.190 nan 4.420 nan 0.000 0.271 139 P C 0.229 176.892 177.300 -1.061 0.000 1.218 139 P CA -0.016 62.622 63.100 -0.769 0.000 0.780 139 P CB 0.327 31.868 31.700 -0.265 0.000 0.901 140 D N -0.757 118.599 120.400 -1.740 0.000 3.012 140 D HA -0.188 4.461 4.640 0.014 0.000 0.222 140 D C 0.024 175.696 176.300 -1.046 0.000 1.167 140 D CA 1.091 54.400 54.000 -1.151 0.000 0.854 140 D CB -1.779 38.863 40.800 -0.264 0.000 1.107 140 D HN 0.486 nan 8.370 nan 0.000 0.421 141 D N -0.493 119.043 120.400 -1.440 0.000 2.767 141 D HA 0.065 4.714 4.640 0.014 0.000 0.231 141 D C 1.146 177.291 176.300 -0.259 0.000 1.105 141 D CA -0.207 53.442 54.000 -0.586 0.000 1.024 141 D CB -0.881 39.743 40.800 -0.295 0.000 1.123 141 D HN 0.146 nan 8.370 nan 0.000 0.470 142 F N 0.400 120.319 119.950 -0.050 0.000 2.236 142 F HA -0.201 4.336 4.527 0.017 0.000 0.302 142 F C 2.280 178.161 175.800 0.134 0.000 1.073 142 F CA 1.082 59.201 58.000 0.198 0.000 1.336 142 F CB -0.235 38.839 39.000 0.124 0.000 1.040 142 F HN 0.326 nan 8.300 nan 0.000 0.507 143 Q N -0.039 119.827 119.800 0.110 0.000 2.378 143 Q HA 0.040 4.388 4.340 0.014 0.000 0.205 143 Q C 0.873 176.888 176.000 0.025 0.000 0.954 143 Q CA 0.434 56.197 55.803 -0.066 0.000 0.901 143 Q CB 0.092 28.503 28.738 -0.545 0.000 0.981 143 Q HN 0.411 nan 8.270 nan 0.000 0.483 144 L N 0.887 122.201 121.223 0.152 0.000 3.717 144 L HA -0.282 4.067 4.340 0.014 0.000 0.411 144 L C 0.606 177.653 176.870 0.296 0.000 1.233 144 L CA -0.180 54.836 54.840 0.294 0.000 0.917 144 L CB -1.723 40.533 42.059 0.328 0.000 1.902 144 L HN 0.407 nan 8.230 nan 0.000 0.894 145 H N -0.258 118.918 119.070 0.176 0.000 2.423 145 H HA -0.011 4.553 4.556 0.013 0.000 0.297 145 H C 1.608 177.030 175.328 0.155 0.000 1.075 145 H CA 1.927 58.056 56.048 0.135 0.000 1.342 145 H CB -0.011 29.806 29.762 0.091 0.000 1.395 145 H HN 0.575 nan 8.280 nan 0.000 0.530 146 N N -0.122 118.760 118.700 0.303 0.000 2.295 146 N HA 0.046 4.795 4.740 0.014 0.000 0.221 146 N C -0.421 175.260 175.510 0.284 0.000 1.129 146 N CA -0.280 52.913 53.050 0.239 0.000 0.836 146 N CB 0.107 38.695 38.487 0.167 0.000 1.040 146 N HN 0.096 nan 8.380 nan 0.000 0.494 147 F N 2.298 122.358 119.950 0.183 0.000 2.538 147 F HA 0.213 4.747 4.527 0.011 0.000 0.371 147 F C 0.523 176.392 175.800 0.114 0.000 1.087 147 F CA -0.160 57.945 58.000 0.175 0.000 1.250 147 F CB 0.395 39.471 39.000 0.127 0.000 1.110 147 F HN -0.003 nan 8.300 nan 0.000 0.570 148 S N 5.652 121.290 115.700 -0.103 0.000 2.588 148 S HA 0.554 5.032 4.470 0.014 0.000 0.269 148 S C -1.325 173.164 174.600 -0.186 0.000 1.157 148 S CA -1.278 56.910 58.200 -0.019 0.000 0.824 148 S CB 1.096 64.338 63.200 0.070 0.000 1.126 148 S HN 0.703 nan 8.310 nan 0.000 0.464 149 L N 2.372 123.520 121.223 -0.125 0.000 2.319 149 L HA 0.481 4.829 4.340 0.014 0.000 0.280 149 L C -1.753 175.107 176.870 -0.017 0.000 1.099 149 L CA -1.531 53.247 54.840 -0.104 0.000 0.828 149 L CB 0.293 42.252 42.059 -0.166 0.000 1.150 149 L HN 0.590 nan 8.230 nan 0.000 0.442 150 P HA 0.174 nan 4.420 nan 0.000 0.297 150 P C 0.110 177.355 177.300 -0.092 0.000 1.307 150 P CA -0.528 62.520 63.100 -0.088 0.000 0.773 150 P CB 0.917 32.465 31.700 -0.253 0.000 1.265 151 E N -0.375 119.759 120.200 -0.110 0.000 2.267 151 E HA -0.205 4.153 4.350 0.014 0.000 0.197 151 E C 1.579 178.138 176.600 -0.069 0.000 0.998 151 E CA 1.220 57.571 56.400 -0.081 0.000 0.830 151 E CB -0.119 29.539 29.700 -0.070 0.000 0.751 151 E HN 0.459 nan 8.360 nan 0.000 0.491 152 E N 0.857 120.997 120.200 -0.100 0.000 2.118 152 E HA -0.187 4.171 4.350 0.014 0.000 0.195 152 E C 1.355 177.990 176.600 0.058 0.000 0.992 152 E CA 1.577 57.968 56.400 -0.016 0.000 0.804 152 E CB -0.019 29.683 29.700 0.005 0.000 0.741 152 E HN 0.307 nan 8.360 nan 0.000 0.458 153 D N -1.197 119.246 120.400 0.072 0.000 2.110 153 D HA -0.097 4.552 4.640 0.014 0.000 0.202 153 D C 2.010 178.237 176.300 -0.122 0.000 0.975 153 D CA 1.929 55.959 54.000 0.052 0.000 0.839 153 D CB -0.202 40.655 40.800 0.095 0.000 0.996 153 D HN 0.268 nan 8.370 nan 0.000 0.464 154 T N -1.460 113.002 114.554 -0.153 0.000 2.942 154 T HA 0.022 4.380 4.350 0.014 0.000 0.265 154 T C 1.598 176.255 174.700 -0.072 0.000 1.062 154 T CA 0.579 62.570 62.100 -0.181 0.000 1.139 154 T CB 0.086 68.888 68.868 -0.109 0.000 0.883 154 T HN -0.079 nan 8.240 nan 0.000 0.468 155 K N 0.484 120.858 120.400 -0.044 0.000 2.308 155 K HA 0.383 4.712 4.320 0.014 0.000 0.197 155 K C 2.035 178.631 176.600 -0.008 0.000 1.049 155 K CA 0.237 56.514 56.287 -0.018 0.000 0.991 155 K CB 0.164 32.654 32.500 -0.017 0.000 0.836 155 K HN 0.386 nan 8.250 nan 0.000 0.500 156 L N 0.340 121.561 121.223 -0.004 0.000 2.416 156 L HA 0.077 4.426 4.340 0.014 0.000 0.188 156 L C 2.179 179.063 176.870 0.024 0.000 1.145 156 L CA 0.550 55.398 54.840 0.014 0.000 0.826 156 L CB -0.408 41.666 42.059 0.025 0.000 1.064 156 L HN -0.068 nan 8.230 nan 0.000 0.490 157 K N 0.503 120.931 120.400 0.045 0.000 2.062 157 K HA 0.002 4.331 4.320 0.014 0.000 0.205 157 K C 2.057 178.679 176.600 0.038 0.000 1.051 157 K CA 1.138 57.472 56.287 0.078 0.000 0.941 157 K CB -0.034 32.571 32.500 0.175 0.000 0.719 157 K HN 0.144 nan 8.250 nan 0.000 0.440 158 I N 1.188 121.739 120.570 -0.032 0.000 2.142 158 I HA -0.184 3.995 4.170 0.014 0.000 0.240 158 I C -1.010 175.087 176.117 -0.033 0.000 1.078 158 I CA 1.103 62.325 61.300 -0.131 0.000 1.343 158 I CB -0.777 37.012 38.000 -0.352 0.000 1.046 158 I HN 0.068 nan 8.210 nan 0.000 0.405 159 P HA -0.128 nan 4.420 nan 0.000 0.217 159 P C 1.927 179.264 177.300 0.062 0.000 1.150 159 P CA 1.359 64.516 63.100 0.094 0.000 0.832 159 P CB 0.009 31.741 31.700 0.054 0.000 0.787 160 L N -1.335 119.901 121.223 0.022 0.000 2.083 160 L HA -0.150 4.198 4.340 0.014 0.000 0.209 160 L C 2.399 179.243 176.870 -0.043 0.000 1.083 160 L CA 1.290 56.133 54.840 0.006 0.000 0.752 160 L CB -0.699 41.369 42.059 0.015 0.000 0.899 160 L HN -0.073 nan 8.230 nan 0.000 0.433 161 I N -1.260 119.267 120.570 -0.072 0.000 2.315 161 I HA -0.301 3.877 4.170 0.014 0.000 0.248 161 I C 2.604 178.609 176.117 -0.187 0.000 1.117 161 I CA 0.935 62.140 61.300 -0.159 0.000 1.404 161 I CB -0.384 37.527 38.000 -0.149 0.000 1.071 161 I HN 0.309 nan 8.210 nan 0.000 0.419 162 H N 0.898 119.922 119.070 -0.076 0.000 2.357 162 H HA -0.066 4.497 4.556 0.013 0.000 0.301 162 H C 2.461 177.744 175.328 -0.076 0.000 1.082 162 H CA 1.382 57.388 56.048 -0.069 0.000 1.342 162 H CB -0.113 29.624 29.762 -0.042 0.000 1.389 162 H HN 0.285 nan 8.280 nan 0.000 0.511 163 R N 0.358 120.897 120.500 0.065 0.000 2.081 163 R HA -0.070 4.279 4.340 0.014 0.000 0.235 163 R C 2.592 178.867 176.300 -0.042 0.000 1.131 163 R CA 1.073 57.184 56.100 0.017 0.000 0.960 163 R CB -0.286 30.027 30.300 0.022 0.000 0.856 163 R HN 0.213 nan 8.270 nan 0.000 0.436 164 A N 1.408 124.139 122.820 -0.148 0.000 1.892 164 A HA -0.185 4.143 4.320 0.014 0.000 0.218 164 A C 2.186 179.568 177.584 -0.337 0.000 1.188 164 A CA 1.457 53.246 52.037 -0.414 0.000 0.631 164 A CB -0.686 17.784 19.000 -0.884 0.000 0.822 164 A HN 0.206 nan 8.150 nan 0.000 0.447 165 L N -1.234 119.856 121.223 -0.221 0.000 2.093 165 L HA -0.223 4.126 4.340 0.014 0.000 0.208 165 L C 2.789 179.641 176.870 -0.030 0.000 1.085 165 L CA 1.449 56.222 54.840 -0.112 0.000 0.755 165 L CB -0.574 41.448 42.059 -0.061 0.000 0.904 165 L HN 0.483 nan 8.230 nan 0.000 0.435 166 Q N -0.198 119.598 119.800 -0.008 0.000 2.291 166 Q HA -0.104 4.245 4.340 0.014 0.000 0.205 166 Q C 2.028 178.044 176.000 0.026 0.000 0.970 166 Q CA 1.035 56.847 55.803 0.015 0.000 0.876 166 Q CB 0.079 28.828 28.738 0.018 0.000 0.935 166 Q HN 0.522 nan 8.270 nan 0.000 0.455 167 L N -0.401 120.843 121.223 0.035 0.000 2.554 167 L HA 0.249 4.598 4.340 0.014 0.000 0.225 167 L C 0.604 177.537 176.870 0.105 0.000 1.104 167 L CA -0.594 54.291 54.840 0.075 0.000 0.866 167 L CB 0.220 42.345 42.059 0.110 0.000 1.047 167 L HN -0.012 nan 8.230 nan 0.000 0.468 168 A N 0.583 123.460 122.820 0.095 0.000 2.401 168 A HA 0.142 4.470 4.320 0.014 0.000 0.259 168 A C 1.258 178.896 177.584 0.091 0.000 1.103 168 A CA -0.312 51.806 52.037 0.136 0.000 0.789 168 A CB 0.459 19.529 19.000 0.117 0.000 1.035 168 A HN 0.446 nan 8.150 nan 0.000 0.491 169 Q N 1.902 121.756 119.800 0.090 0.000 2.212 169 Q HA 0.016 4.365 4.340 0.014 0.000 0.199 169 Q C 0.265 176.294 176.000 0.048 0.000 0.950 169 Q CA 0.725 56.562 55.803 0.057 0.000 0.863 169 Q CB 0.104 28.866 28.738 0.040 0.000 0.944 169 Q HN 0.728 nan 8.270 nan 0.000 0.465 170 R N 1.337 121.874 120.500 0.061 0.000 2.668 170 R HA 0.484 4.832 4.340 0.014 0.000 0.279 170 R C -2.568 173.754 176.300 0.037 0.000 0.976 170 R CA -2.341 53.784 56.100 0.042 0.000 0.978 170 R CB 0.807 31.131 30.300 0.041 0.000 1.133 170 R HN 0.069 nan 8.270 nan 0.000 0.484 171 P HA 0.026 nan 4.420 nan 0.000 0.267 171 P C -0.834 176.460 177.300 -0.010 0.000 1.205 171 P CA -0.094 63.004 63.100 -0.003 0.000 0.765 171 P CB 0.585 32.273 31.700 -0.019 0.000 0.828 172 V N 3.482 123.390 119.914 -0.010 0.000 2.439 172 V HA 0.256 4.384 4.120 0.014 0.000 0.282 172 V C 0.423 176.493 176.094 -0.042 0.000 1.039 172 V CA -0.144 62.152 62.300 -0.006 0.000 0.913 172 V CB 1.508 33.323 31.823 -0.013 0.000 0.983 172 V HN 0.484 nan 8.190 nan 0.000 0.460 173 S N 5.618 121.283 115.700 -0.059 0.000 2.462 173 S HA 0.657 5.136 4.470 0.014 0.000 0.294 173 S C -0.421 174.230 174.600 0.085 0.000 1.144 173 S CA -0.523 57.664 58.200 -0.023 0.000 1.088 173 S CB 0.956 63.996 63.200 -0.267 0.000 1.009 173 S HN 0.484 nan 8.310 nan 0.000 0.484 174 L N 3.447 124.717 121.223 0.077 0.000 2.307 174 L HA 0.601 4.950 4.340 0.014 0.000 0.282 174 L C -0.714 176.373 176.870 0.363 0.000 1.051 174 L CA -0.874 53.963 54.840 -0.006 0.000 0.804 174 L CB 1.104 42.728 42.059 -0.725 0.000 1.197 174 L HN 0.425 nan 8.230 nan 0.000 0.431 175 L N 3.326 124.823 121.223 0.457 0.000 2.385 175 L HA 0.850 5.198 4.340 0.014 0.000 0.273 175 L C -0.553 176.583 176.870 0.442 0.000 0.990 175 L CA -0.130 54.968 54.840 0.431 0.000 0.821 175 L CB 1.637 43.913 42.059 0.362 0.000 1.279 175 L HN 0.650 nan 8.230 nan 0.000 0.412 176 A N 3.102 126.074 122.820 0.253 0.000 2.337 176 A HA 0.949 5.277 4.320 0.014 0.000 0.331 176 A C -0.774 176.785 177.584 -0.042 0.000 1.137 176 A CA -0.463 51.581 52.037 0.012 0.000 0.807 176 A CB 1.339 20.027 19.000 -0.521 0.000 1.250 176 A HN 0.727 nan 8.150 nan 0.000 0.468 177 S N 1.974 117.672 115.700 -0.003 0.000 2.543 177 S HA 0.719 5.197 4.470 0.014 0.000 0.271 177 S C -3.117 171.542 174.600 0.099 0.000 1.148 177 S CA -0.771 57.442 58.200 0.021 0.000 0.914 177 S CB 2.447 65.682 63.200 0.057 0.000 1.096 177 S HN 0.651 nan 8.310 nan 0.000 0.471 178 P HA 0.357 nan 4.420 nan 0.000 0.290 178 P C 0.037 177.501 177.300 0.274 0.000 1.283 178 P CA -0.728 62.471 63.100 0.164 0.000 0.869 178 P CB 1.326 33.047 31.700 0.036 0.000 1.100 179 W N 0.489 121.799 121.300 0.017 0.000 2.633 179 W HA 0.046 4.715 4.660 0.015 0.000 0.295 179 W C 0.785 177.289 176.519 -0.025 0.000 1.133 179 W CA 0.723 58.092 57.345 0.039 0.000 1.490 179 W CB 0.136 29.661 29.460 0.108 0.000 1.127 179 W HN 0.239 nan 8.180 nan 0.000 0.538 180 T N 0.238 114.883 114.554 0.152 0.000 2.907 180 T HA 0.335 4.694 4.350 0.014 0.000 0.292 180 T C -0.061 174.440 174.700 -0.331 0.000 1.043 180 T CA -0.442 61.587 62.100 -0.117 0.000 1.003 180 T CB 1.538 70.336 68.868 -0.116 0.000 1.084 180 T HN -0.034 nan 8.240 nan 0.000 0.483 181 S N 3.869 119.084 115.700 -0.808 0.000 2.669 181 S HA 0.627 5.106 4.470 0.014 0.000 0.270 181 S C -2.704 171.456 174.600 -0.733 0.000 1.225 181 S CA -1.222 56.237 58.200 -1.234 0.000 0.991 181 S CB 0.255 62.251 63.200 -2.007 0.000 0.987 181 S HN 0.542 nan 8.310 nan 0.000 0.552 182 P HA 0.010 nan 4.420 nan 0.000 0.263 182 P C 1.210 178.088 177.300 -0.703 0.000 1.168 182 P CA 0.375 63.091 63.100 -0.640 0.000 0.759 182 P CB 0.161 31.236 31.700 -1.042 0.000 0.782 183 T N -0.522 113.797 114.554 -0.392 0.000 2.929 183 T HA -0.142 4.216 4.350 0.014 0.000 0.271 183 T C 1.289 175.859 174.700 -0.216 0.000 1.085 183 T CA 0.642 62.578 62.100 -0.273 0.000 1.125 183 T CB -0.736 68.064 68.868 -0.113 0.000 0.874 183 T HN 0.580 nan 8.240 nan 0.000 0.494 184 W N 0.913 122.136 121.300 -0.129 0.000 2.961 184 W HA 0.330 4.998 4.660 0.013 0.000 0.240 184 W C 0.765 177.224 176.519 -0.101 0.000 1.305 184 W CA -0.452 56.836 57.345 -0.096 0.000 1.465 184 W CB -0.833 28.575 29.460 -0.087 0.000 1.135 184 W HN 0.274 nan 8.180 nan 0.000 0.688 185 L N 0.662 121.588 121.223 -0.494 0.000 2.640 185 L HA 0.209 4.557 4.340 0.014 0.000 0.230 185 L C 0.606 177.192 176.870 -0.474 0.000 1.123 185 L CA 0.480 55.059 54.840 -0.435 0.000 0.900 185 L CB -0.111 41.538 42.059 -0.684 0.000 1.146 185 L HN -0.273 nan 8.230 nan 0.000 0.484 186 K N -0.501 119.654 120.400 -0.409 0.000 2.156 186 K HA 0.222 4.550 4.320 0.014 0.000 0.254 186 K C 1.237 177.660 176.600 -0.295 0.000 0.950 186 K CA -0.040 56.008 56.287 -0.398 0.000 0.849 186 K CB 1.788 34.064 32.500 -0.373 0.000 1.100 186 K HN -0.083 nan 8.250 nan 0.000 0.434 187 T N -1.428 112.954 114.554 -0.288 0.000 2.822 187 T HA -0.190 4.168 4.350 0.014 0.000 0.270 187 T C 1.134 175.747 174.700 -0.146 0.000 1.064 187 T CA 1.676 63.652 62.100 -0.206 0.000 1.131 187 T CB -0.273 68.484 68.868 -0.186 0.000 0.858 187 T HN 0.683 nan 8.240 nan 0.000 0.483 188 N N 1.013 119.625 118.700 -0.146 0.000 2.236 188 N HA 0.192 4.941 4.740 0.014 0.000 0.196 188 N C 1.475 176.935 175.510 -0.084 0.000 1.114 188 N CA 0.526 53.516 53.050 -0.101 0.000 0.859 188 N CB -0.432 37.999 38.487 -0.093 0.000 0.982 188 N HN 0.629 nan 8.380 nan 0.000 0.493 189 G N -0.152 108.587 108.800 -0.102 0.000 2.283 189 G HA2 -0.043 3.926 3.960 0.014 0.000 0.280 189 G HA3 -0.043 3.926 3.960 0.014 0.000 0.280 189 G C 0.032 174.894 174.900 -0.062 0.000 1.029 189 G CA 0.553 45.612 45.100 -0.069 0.000 0.840 189 G HN 0.911 nan 8.290 nan 0.000 0.505 190 A N -1.756 121.013 122.820 -0.085 0.000 2.587 190 A HA 0.873 5.201 4.320 0.014 0.000 0.293 190 A C 1.170 178.707 177.584 -0.079 0.000 1.087 190 A CA 0.311 52.312 52.037 -0.060 0.000 0.692 190 A CB 1.040 20.025 19.000 -0.024 0.000 1.291 190 A HN 1.517 nan 8.150 nan 0.000 0.407 191 V N -0.776 119.106 119.914 -0.054 0.000 2.626 191 V HA 0.029 4.158 4.120 0.014 0.000 0.252 191 V C 0.665 176.775 176.094 0.026 0.000 1.067 191 V CA 1.932 64.202 62.300 -0.051 0.000 1.081 191 V CB -1.546 30.241 31.823 -0.060 0.000 0.686 191 V HN 0.963 nan 8.190 nan 0.000 0.468 192 N N 0.181 118.925 118.700 0.073 0.000 3.184 192 N HA 0.642 5.391 4.740 0.014 0.000 0.353 192 N C 0.457 175.990 175.510 0.039 0.000 1.441 192 N CA 0.183 53.296 53.050 0.106 0.000 0.723 192 N CB 0.563 39.167 38.487 0.194 0.000 1.547 192 N HN 0.942 nan 8.380 nan 0.000 0.624 193 G N -0.396 108.433 108.800 0.048 0.000 2.877 193 G HA2 -0.221 3.748 3.960 0.014 0.000 0.279 193 G HA3 -0.221 3.748 3.960 0.014 0.000 0.279 193 G C -0.830 174.060 174.900 -0.018 0.000 1.431 193 G CA -0.044 45.064 45.100 0.015 0.000 0.883 193 G HN 0.892 nan 8.290 nan 0.000 0.547 194 K N 0.480 120.860 120.400 -0.034 0.000 2.349 194 K HA 0.560 4.888 4.320 0.014 0.000 0.288 194 K C 0.538 177.077 176.600 -0.101 0.000 1.058 194 K CA 0.450 56.697 56.287 -0.067 0.000 0.953 194 K CB 0.037 32.506 32.500 -0.051 0.000 0.997 194 K HN 1.743 nan 8.250 nan 0.000 0.477 195 G N 1.566 110.278 108.800 -0.146 0.000 2.473 195 G HA2 0.333 4.302 3.960 0.014 0.000 0.298 195 G HA3 0.333 4.302 3.960 0.014 0.000 0.298 195 G C -1.481 173.255 174.900 -0.273 0.000 1.575 195 G CA -0.513 44.473 45.100 -0.190 0.000 0.846 195 G HN 0.667 nan 8.290 nan 0.000 0.585 196 S N 0.269 115.781 115.700 -0.313 0.000 2.720 196 S HA 0.786 5.265 4.470 0.014 0.000 0.287 196 S C -0.211 174.101 174.600 -0.478 0.000 1.168 196 S CA -0.958 56.974 58.200 -0.447 0.000 0.832 196 S CB 1.061 64.053 63.200 -0.346 0.000 1.166 196 S HN 0.863 nan 8.310 nan 0.000 0.493 197 L N 1.748 122.603 121.223 -0.613 0.000 2.559 197 L HA 0.143 4.492 4.340 0.014 0.000 0.282 197 L C 0.792 177.411 176.870 -0.417 0.000 1.232 197 L CA 0.058 54.530 54.840 -0.613 0.000 0.885 197 L CB 0.048 41.582 42.059 -0.875 0.000 1.131 197 L HN 0.688 nan 8.230 nan 0.000 0.498 198 K N 2.008 122.073 120.400 -0.558 0.000 2.336 198 K HA 0.335 4.664 4.320 0.014 0.000 0.262 198 K C 0.804 177.237 176.600 -0.279 0.000 0.992 198 K CA 0.601 56.535 56.287 -0.588 0.000 0.927 198 K CB 0.324 32.112 32.500 -1.188 0.000 0.956 198 K HN 0.828 nan 8.250 nan 0.000 0.495 199 G N 0.591 109.350 108.800 -0.069 0.000 2.525 199 G HA2 -0.289 3.680 3.960 0.014 0.000 0.248 199 G HA3 -0.289 3.680 3.960 0.014 0.000 0.248 199 G C -1.054 173.920 174.900 0.124 0.000 1.238 199 G CA 0.271 45.479 45.100 0.180 0.000 0.926 199 G HN 0.749 nan 8.290 nan 0.000 0.574 200 Q N -0.953 118.889 119.800 0.070 0.000 2.456 200 Q HA 0.685 5.034 4.340 0.014 0.000 0.284 200 Q C -3.196 172.424 176.000 -0.635 0.000 1.061 200 Q CA -2.080 53.566 55.803 -0.261 0.000 0.799 200 Q CB 2.641 31.277 28.738 -0.170 0.000 1.445 200 Q HN 0.434 nan 8.270 nan 0.000 0.411 201 P HA 0.047 nan 4.420 nan 0.000 0.265 201 P C 0.531 177.745 177.300 -0.144 0.000 1.187 201 P CA 2.024 64.808 63.100 -0.526 0.000 0.766 201 P CB 0.463 32.118 31.700 -0.076 0.000 0.820 202 G N 1.238 110.053 108.800 0.026 0.000 2.213 202 G HA2 -0.177 3.791 3.960 0.014 0.000 0.226 202 G HA3 -0.177 3.791 3.960 0.014 0.000 0.226 202 G C 0.098 175.045 174.900 0.079 0.000 0.992 202 G CA 0.301 45.431 45.100 0.049 0.000 0.632 202 G HN 0.714 nan 8.290 nan 0.000 0.511 203 D N -0.118 120.354 120.400 0.121 0.000 2.529 203 D HA 0.514 5.163 4.640 0.014 0.000 0.273 203 D C 1.746 178.152 176.300 0.177 0.000 1.197 203 D CA -0.501 53.577 54.000 0.131 0.000 1.070 203 D CB 0.421 41.304 40.800 0.140 0.000 1.134 203 D HN 0.303 nan 8.370 nan 0.000 0.590 204 I N -0.620 119.971 120.570 0.035 0.000 2.361 204 I HA -0.265 3.913 4.170 0.014 0.000 0.251 204 I C 1.473 177.702 176.117 0.187 0.000 1.133 204 I CA 1.026 62.321 61.300 -0.008 0.000 1.413 204 I CB -0.084 37.732 38.000 -0.307 0.000 1.073 204 I HN 0.344 nan 8.210 nan 0.000 0.424 205 Y N 0.026 120.521 120.300 0.326 0.000 2.200 205 Y HA -0.266 4.292 4.550 0.013 0.000 0.290 205 Y C 2.513 178.567 175.900 0.256 0.000 1.137 205 Y CA 1.902 60.207 58.100 0.342 0.000 1.163 205 Y CB -0.679 37.898 38.460 0.195 0.000 0.988 205 Y HN 0.250 nan 8.280 nan 0.000 0.518 206 H N -0.787 118.542 119.070 0.431 0.000 2.395 206 H HA -0.143 4.422 4.556 0.015 0.000 0.299 206 H C 2.227 177.848 175.328 0.489 0.000 1.070 206 H CA 1.575 57.895 56.048 0.453 0.000 1.356 206 H CB -0.154 29.867 29.762 0.431 0.000 1.401 206 H HN 0.328 nan 8.280 nan 0.000 0.524 207 Q N 0.291 120.367 119.800 0.461 0.000 2.096 207 Q HA -0.172 4.177 4.340 0.014 0.000 0.204 207 Q C 1.559 177.769 176.000 0.349 0.000 0.982 207 Q CA 2.068 58.065 55.803 0.323 0.000 0.850 207 Q CB -0.005 28.865 28.738 0.221 0.000 0.901 207 Q HN 0.416 nan 8.270 nan 0.000 0.422 208 T N 0.372 115.174 114.554 0.414 0.000 2.777 208 T HA -0.171 4.188 4.350 0.014 0.000 0.266 208 T C 1.107 176.105 174.700 0.497 0.000 1.040 208 T CA 1.162 63.532 62.100 0.450 0.000 1.141 208 T CB -0.504 68.693 68.868 0.549 0.000 0.868 208 T HN 0.511 nan 8.240 nan 0.000 0.444 209 W N 1.669 123.122 121.300 0.255 0.000 2.358 209 W HA -0.130 4.536 4.660 0.010 0.000 0.303 209 W C 2.551 179.381 176.519 0.519 0.000 1.208 209 W CA 0.863 58.359 57.345 0.250 0.000 1.274 209 W CB -0.213 29.277 29.460 0.050 0.000 1.138 209 W HN 0.284 nan 8.180 nan 0.000 0.515 210 A N 1.274 124.361 122.820 0.444 0.000 1.902 210 A HA -0.243 4.085 4.320 0.014 0.000 0.217 210 A C 2.039 179.719 177.584 0.160 0.000 1.181 210 A CA 3.167 55.291 52.037 0.146 0.000 0.623 210 A CB -1.462 17.546 19.000 0.013 0.000 0.818 210 A HN 0.354 nan 8.150 nan 0.000 0.443 211 R N -1.301 119.330 120.500 0.220 0.000 2.091 211 R HA -0.203 4.146 4.340 0.014 0.000 0.238 211 R C 2.138 178.547 176.300 0.182 0.000 1.136 211 R CA 1.954 58.161 56.100 0.178 0.000 0.959 211 R CB -1.861 28.549 30.300 0.183 0.000 0.856 211 R HN 0.807 nan 8.270 nan 0.000 0.437 212 Y N 0.035 120.413 120.300 0.130 0.000 2.151 212 Y HA -0.250 4.309 4.550 0.015 0.000 0.284 212 Y C 2.100 178.009 175.900 0.015 0.000 1.166 212 Y CA 2.213 60.384 58.100 0.117 0.000 1.163 212 Y CB -0.325 38.237 38.460 0.170 0.000 0.974 212 Y HN 0.276 nan 8.280 nan 0.000 0.511 213 F N -1.001 118.944 119.950 -0.008 0.000 2.126 213 F HA -0.264 4.272 4.527 0.016 0.000 0.299 213 F C 2.378 178.120 175.800 -0.097 0.000 1.096 213 F CA 1.715 59.659 58.000 -0.092 0.000 1.255 213 F CB -0.996 37.891 39.000 -0.189 0.000 0.997 213 F HN -0.114 nan 8.300 nan 0.000 0.479 214 V N -0.053 119.919 119.914 0.096 0.000 2.427 214 V HA -0.252 3.877 4.120 0.014 0.000 0.248 214 V C 2.355 178.375 176.094 -0.122 0.000 1.051 214 V CA 1.594 63.903 62.300 0.015 0.000 1.048 214 V CB -0.491 31.373 31.823 0.067 0.000 0.666 214 V HN 0.250 nan 8.190 nan 0.000 0.456 215 K N -0.598 119.626 120.400 -0.294 0.000 2.097 215 K HA -0.151 4.178 4.320 0.014 0.000 0.205 215 K C 2.105 178.309 176.600 -0.659 0.000 1.050 215 K CA 1.510 57.399 56.287 -0.664 0.000 0.938 215 K CB -0.425 31.267 32.500 -1.345 0.000 0.718 215 K HN 0.525 nan 8.250 nan 0.000 0.442 216 F N 2.149 121.778 119.950 -0.535 0.000 2.102 216 F HA -0.150 4.384 4.527 0.012 0.000 0.298 216 F C 1.916 177.596 175.800 -0.201 0.000 1.105 216 F CA 1.206 59.083 58.000 -0.205 0.000 1.239 216 F CB -0.370 38.504 39.000 -0.210 0.000 0.991 216 F HN -0.151 nan 8.300 nan 0.000 0.474 217 L N 0.134 121.130 121.223 -0.378 0.000 2.046 217 L HA -0.215 4.134 4.340 0.014 0.000 0.208 217 L C 2.204 178.844 176.870 -0.384 0.000 1.077 217 L CA 1.406 55.895 54.840 -0.585 0.000 0.747 217 L CB -0.920 40.604 42.059 -0.891 0.000 0.896 217 L HN 0.110 nan 8.230 nan 0.000 0.432 218 D N 0.337 120.623 120.400 -0.190 0.000 2.097 218 D HA -0.172 4.476 4.640 0.014 0.000 0.195 218 D C 2.255 178.561 176.300 0.010 0.000 0.989 218 D CA 1.615 55.648 54.000 0.056 0.000 0.827 218 D CB -0.119 40.697 40.800 0.026 0.000 0.966 218 D HN 0.309 nan 8.370 nan 0.000 0.456 219 A N -0.064 122.727 122.820 -0.048 0.000 1.902 219 A HA -0.210 4.119 4.320 0.014 0.000 0.217 219 A C 2.099 179.732 177.584 0.083 0.000 1.181 219 A CA 1.162 53.223 52.037 0.040 0.000 0.623 219 A CB -1.007 18.035 19.000 0.069 0.000 0.818 219 A HN 0.230 nan 8.150 nan 0.000 0.443 220 Y N -0.263 119.909 120.300 -0.214 0.000 2.314 220 Y HA 0.022 4.581 4.550 0.014 0.000 0.293 220 Y C 2.809 178.735 175.900 0.043 0.000 1.129 220 Y CA 0.591 58.620 58.100 -0.118 0.000 1.201 220 Y CB -0.374 37.954 38.460 -0.220 0.000 0.999 220 Y HN 0.333 nan 8.280 nan 0.000 0.541 221 A N -0.083 122.832 122.820 0.158 0.000 1.968 221 A HA -0.152 4.177 4.320 0.014 0.000 0.217 221 A C 1.982 179.619 177.584 0.089 0.000 1.169 221 A CA 1.413 53.541 52.037 0.151 0.000 0.638 221 A CB -0.491 18.636 19.000 0.212 0.000 0.812 221 A HN 0.505 nan 8.150 nan 0.000 0.446 222 E N -0.626 119.609 120.200 0.057 0.000 2.265 222 E HA -0.169 4.189 4.350 0.014 0.000 0.196 222 E C 0.784 177.294 176.600 -0.150 0.000 0.996 222 E CA 0.953 57.324 56.400 -0.049 0.000 0.832 222 E CB -0.214 29.429 29.700 -0.094 0.000 0.756 222 E HN 0.725 nan 8.360 nan 0.000 0.491 223 H N 0.244 119.292 119.070 -0.037 0.000 2.519 223 H HA 0.138 4.699 4.556 0.009 0.000 0.289 223 H C -0.031 175.360 175.328 0.105 0.000 1.040 223 H CA 0.104 56.142 56.048 -0.016 0.000 1.165 223 H CB 0.474 30.155 29.762 -0.136 0.000 1.462 223 H HN -0.023 nan 8.280 nan 0.000 0.555 224 K N 0.158 120.644 120.400 0.143 0.000 3.129 224 K HA -0.174 4.154 4.320 0.014 0.000 0.273 224 K C -0.389 176.312 176.600 0.168 0.000 1.123 224 K CA 0.361 56.736 56.287 0.147 0.000 0.800 224 K CB -2.177 30.396 32.500 0.122 0.000 1.238 224 K HN 0.394 nan 8.250 nan 0.000 0.492 225 L N 0.700 121.990 121.223 0.111 0.000 2.322 225 L HA 0.369 4.717 4.340 0.014 0.000 0.281 225 L C 0.452 177.368 176.870 0.076 0.000 1.014 225 L CA -0.519 54.335 54.840 0.023 0.000 0.815 225 L CB 1.847 43.897 42.059 -0.015 0.000 1.247 225 L HN 0.153 nan 8.230 nan 0.000 0.421 226 Q N 2.426 122.218 119.800 -0.014 0.000 2.365 226 Q HA 0.526 4.875 4.340 0.014 0.000 0.269 226 Q C -1.700 174.246 176.000 -0.091 0.000 1.061 226 Q CA -0.663 55.182 55.803 0.071 0.000 0.816 226 Q CB 2.114 30.906 28.738 0.090 0.000 1.325 226 Q HN 0.405 nan 8.270 nan 0.000 0.446 227 F N 1.903 121.899 119.950 0.077 0.000 2.399 227 F HA 0.265 4.800 4.527 0.013 0.000 0.334 227 F C 0.546 176.413 175.800 0.112 0.000 1.097 227 F CA -0.567 57.486 58.000 0.088 0.000 1.076 227 F CB 0.799 39.827 39.000 0.047 0.000 1.162 227 F HN 0.777 nan 8.300 nan 0.000 0.495 228 W N 3.403 124.761 121.300 0.095 0.000 2.481 228 W HA 0.485 5.154 4.660 0.014 0.000 0.293 228 W C -0.337 176.198 176.519 0.027 0.000 1.201 228 W CA 0.873 58.229 57.345 0.019 0.000 1.328 228 W CB -0.049 29.387 29.460 -0.040 0.000 1.112 228 W HN 0.426 nan 8.180 nan 0.000 0.546 229 A N 0.694 123.249 122.820 -0.441 0.000 2.572 229 A HA 0.606 4.934 4.320 0.014 0.000 0.295 229 A C -1.205 176.230 177.584 -0.250 0.000 1.072 229 A CA -0.203 51.403 52.037 -0.718 0.000 0.691 229 A CB 0.992 19.016 19.000 -1.628 0.000 1.291 229 A HN 0.548 nan 8.150 nan 0.000 0.404 230 V N -0.895 118.887 119.914 -0.219 0.000 2.960 230 V HA 0.956 5.085 4.120 0.014 0.000 0.315 230 V C 0.078 176.111 176.094 -0.102 0.000 1.087 230 V CA -0.008 62.230 62.300 -0.102 0.000 0.982 230 V CB 1.396 33.219 31.823 0.000 0.000 1.039 230 V HN 1.518 nan 8.190 nan 0.000 0.437 231 T N -0.229 114.306 114.554 -0.032 0.000 2.943 231 T HA 0.725 5.083 4.350 0.014 0.000 0.284 231 T C 1.040 175.768 174.700 0.047 0.000 1.015 231 T CA -0.071 62.006 62.100 -0.037 0.000 1.042 231 T CB 1.678 70.513 68.868 -0.055 0.000 1.055 231 T HN 1.535 nan 8.240 nan 0.000 0.500 232 A N 0.549 123.351 122.820 -0.029 0.000 2.119 232 A HA 0.334 4.663 4.320 0.014 0.000 0.217 232 A C 0.801 178.426 177.584 0.069 0.000 1.153 232 A CA 1.153 53.179 52.037 -0.018 0.000 0.692 232 A CB -0.767 18.154 19.000 -0.133 0.000 0.799 232 A HN 1.014 nan 8.150 nan 0.000 0.458 233 E N -1.684 118.506 120.200 -0.017 0.000 3.097 233 E HA 0.128 4.486 4.350 0.014 0.000 0.325 233 E C -1.319 175.153 176.600 -0.214 0.000 1.093 233 E CA -0.332 56.045 56.400 -0.039 0.000 0.893 233 E CB -0.272 29.380 29.700 -0.079 0.000 1.209 233 E HN 0.199 nan 8.360 nan 0.000 0.462 234 N N 3.163 121.647 118.700 -0.360 0.000 2.475 234 N HA 0.134 4.882 4.740 0.014 0.000 0.267 234 N C -0.720 174.466 175.510 -0.541 0.000 1.169 234 N CA 0.651 53.324 53.050 -0.628 0.000 0.947 234 N CB 0.412 38.040 38.487 -1.432 0.000 1.061 234 N HN 0.575 nan 8.380 nan 0.000 0.466 235 E N 1.693 121.579 120.200 -0.523 0.000 2.197 235 E HA -0.191 4.167 4.350 0.014 0.000 0.184 235 E C -1.643 174.732 176.600 -0.374 0.000 1.439 235 E CA 0.164 56.281 56.400 -0.472 0.000 0.688 235 E CB -0.624 28.836 29.700 -0.400 0.000 1.090 235 E HN 0.706 nan 8.360 nan 0.000 0.341 236 P HA -0.263 nan 4.420 nan 0.000 0.218 236 P C 1.471 178.740 177.300 -0.052 0.000 1.146 236 P CA 1.885 64.964 63.100 -0.035 0.000 0.813 236 P CB 0.050 31.833 31.700 0.139 0.000 0.778 237 S N -0.025 115.574 115.700 -0.169 0.000 2.423 237 S HA -0.053 4.426 4.470 0.014 0.000 0.231 237 S C 2.223 176.678 174.600 -0.242 0.000 1.014 237 S CA 0.954 59.084 58.200 -0.118 0.000 0.965 237 S CB -1.249 61.873 63.200 -0.130 0.000 0.785 237 S HN 0.157 nan 8.310 nan 0.000 0.495 238 A N 1.867 124.418 122.820 -0.447 0.000 1.933 238 A HA 0.194 4.523 4.320 0.014 0.000 0.218 238 A C 2.287 179.450 177.584 -0.703 0.000 1.175 238 A CA 1.412 52.931 52.037 -0.864 0.000 0.628 238 A CB -1.581 16.573 19.000 -1.410 0.000 0.814 238 A HN 0.693 nan 8.150 nan 0.000 0.444 239 G N -0.954 107.584 108.800 -0.437 0.000 2.848 239 G HA2 0.189 4.157 3.960 0.014 0.000 0.208 239 G HA3 0.189 4.157 3.960 0.014 0.000 0.208 239 G C 1.091 175.877 174.900 -0.189 0.000 1.152 239 G CA 0.347 45.277 45.100 -0.284 0.000 0.789 239 G HN 0.445 nan 8.290 nan 0.000 0.531 240 L N -0.365 120.762 121.223 -0.159 0.000 2.592 240 L HA 0.345 4.694 4.340 0.014 0.000 0.227 240 L C 0.274 177.107 176.870 -0.062 0.000 1.127 240 L CA -0.240 54.551 54.840 -0.083 0.000 0.884 240 L CB 0.239 42.281 42.059 -0.027 0.000 1.065 240 L HN 0.123 nan 8.230 nan 0.000 0.457 241 L N -0.069 121.110 121.223 -0.072 0.000 2.287 241 L HA 0.320 4.669 4.340 0.014 0.000 0.287 241 L C 0.498 177.379 176.870 0.017 0.000 1.022 241 L CA -0.275 54.560 54.840 -0.009 0.000 0.814 241 L CB 1.608 43.688 42.059 0.035 0.000 1.217 241 L HN -0.123 nan 8.230 nan 0.000 0.420 242 S N 4.380 120.085 115.700 0.008 0.000 2.596 242 S HA 0.358 4.837 4.470 0.014 0.000 0.298 242 S C 1.294 175.900 174.600 0.009 0.000 1.255 242 S CA 0.666 58.867 58.200 0.002 0.000 1.083 242 S CB -0.501 62.696 63.200 -0.005 0.000 0.837 242 S HN 1.802 nan 8.310 nan 0.000 0.499 243 G N 3.509 112.310 108.800 0.002 0.000 2.148 243 G HA2 -0.321 3.647 3.960 0.014 0.000 0.254 243 G HA3 -0.321 3.647 3.960 0.014 0.000 0.254 243 G C 0.025 174.910 174.900 -0.025 0.000 0.981 243 G CA 0.334 45.425 45.100 -0.015 0.000 0.670 243 G HN 1.064 nan 8.290 nan 0.000 0.528 244 Y N 1.821 122.052 120.300 -0.116 0.000 2.895 244 Y HA 0.204 4.762 4.550 0.013 0.000 0.334 244 Y C -0.265 175.521 175.900 -0.189 0.000 1.261 244 Y CA 0.030 58.019 58.100 -0.185 0.000 1.560 244 Y CB 0.908 39.227 38.460 -0.236 0.000 1.253 244 Y HN 0.107 nan 8.280 nan 0.000 0.582 245 P HA -0.013 nan 4.420 nan 0.000 0.235 245 P C -0.636 176.566 177.300 -0.164 0.000 1.177 245 P CA 0.865 63.749 63.100 -0.360 0.000 0.785 245 P CB 0.056 31.555 31.700 -0.336 0.000 0.885 246 F N -2.170 117.670 119.950 -0.184 0.000 2.814 246 F HA 0.695 5.230 4.527 0.013 0.000 0.353 246 F C -0.302 175.701 175.800 0.338 0.000 1.177 246 F CA -2.034 56.014 58.000 0.081 0.000 1.036 246 F CB -0.310 38.653 39.000 -0.063 0.000 1.455 246 F HN -0.481 nan 8.300 nan 0.000 0.520 247 Q N 1.098 121.333 119.800 0.725 0.000 2.269 247 Q HA 0.393 4.742 4.340 0.014 0.000 0.300 247 Q C -0.331 175.897 176.000 0.380 0.000 1.070 247 Q CA 0.519 56.596 55.803 0.456 0.000 0.957 247 Q CB 0.262 29.237 28.738 0.394 0.000 1.131 247 Q HN 0.846 nan 8.270 nan 0.000 0.377 248 C N 0.487 119.859 119.300 0.120 0.000 3.320 248 C HA 0.898 5.367 4.460 0.014 0.000 0.335 248 C C -1.698 173.204 174.990 -0.148 0.000 1.430 248 C CA -1.220 57.763 59.018 -0.058 0.000 1.271 248 C CB 0.875 28.470 27.740 -0.241 0.000 1.609 248 C HN 0.779 nan 8.230 nan 0.000 0.457 249 L N 1.400 122.503 121.223 -0.200 0.000 2.639 249 L HA 0.709 5.057 4.340 0.014 0.000 0.264 249 L C 0.008 176.721 176.870 -0.261 0.000 0.948 249 L CA 0.399 55.067 54.840 -0.286 0.000 0.912 249 L CB 1.312 43.200 42.059 -0.287 0.000 1.294 249 L HN 1.402 nan 8.230 nan 0.000 0.412 250 G N 3.224 111.814 108.800 -0.349 0.000 2.395 250 G HA2 0.579 4.548 3.960 0.014 0.000 0.283 250 G HA3 0.579 4.548 3.960 0.014 0.000 0.283 250 G C -1.337 173.342 174.900 -0.368 0.000 1.178 250 G CA -0.126 44.833 45.100 -0.235 0.000 0.837 250 G HN 0.364 nan 8.290 nan 0.000 0.518 251 F N 0.367 120.274 119.950 -0.072 0.000 2.561 251 F HA 0.374 4.909 4.527 0.013 0.000 0.313 251 F C 0.909 176.769 175.800 0.101 0.000 1.126 251 F CA -0.783 57.180 58.000 -0.062 0.000 0.918 251 F CB 2.270 41.208 39.000 -0.103 0.000 1.199 251 F HN 0.660 nan 8.300 nan 0.000 0.444 252 T N -0.055 114.626 114.554 0.212 0.000 2.766 252 T HA 0.196 4.554 4.350 0.014 0.000 0.295 252 T C -1.819 172.673 174.700 -0.347 0.000 1.024 252 T CA -1.391 60.729 62.100 0.034 0.000 1.018 252 T CB 1.069 69.943 68.868 0.010 0.000 1.002 252 T HN 0.356 nan 8.240 nan 0.000 0.532 253 P HA -0.033 nan 4.420 nan 0.000 0.220 253 P C 0.987 177.922 177.300 -0.608 0.000 1.148 253 P CA 1.032 63.216 63.100 -1.527 0.000 0.803 253 P CB 0.096 30.672 31.700 -1.874 0.000 0.782 254 E N -1.450 118.553 120.200 -0.328 0.000 2.107 254 E HA -0.152 4.207 4.350 0.014 0.000 0.191 254 E C 2.178 178.786 176.600 0.013 0.000 0.982 254 E CA 0.841 57.157 56.400 -0.141 0.000 0.809 254 E CB -1.021 28.623 29.700 -0.094 0.000 0.756 254 E HN 0.499 nan 8.360 nan 0.000 0.459 255 H N -0.047 119.000 119.070 -0.039 0.000 2.357 255 H HA -0.080 4.485 4.556 0.014 0.000 0.301 255 H C 2.209 177.698 175.328 0.269 0.000 1.082 255 H CA 1.274 57.399 56.048 0.128 0.000 1.342 255 H CB 0.333 30.188 29.762 0.155 0.000 1.389 255 H HN 0.129 nan 8.280 nan 0.000 0.511 256 Q N 0.874 120.804 119.800 0.217 0.000 2.030 256 Q HA -0.229 4.119 4.340 0.014 0.000 0.204 256 Q C 2.591 178.615 176.000 0.041 0.000 0.986 256 Q CA 1.790 57.616 55.803 0.038 0.000 0.843 256 Q CB -0.118 28.578 28.738 -0.070 0.000 0.904 256 Q HN 0.352 nan 8.270 nan 0.000 0.420 257 R N -0.035 120.438 120.500 -0.045 0.000 2.133 257 R HA -0.233 4.116 4.340 0.014 0.000 0.245 257 R C 1.359 177.668 176.300 0.016 0.000 1.137 257 R CA 2.311 58.383 56.100 -0.048 0.000 0.947 257 R CB -0.319 29.924 30.300 -0.095 0.000 0.865 257 R HN 0.424 nan 8.270 nan 0.000 0.437 258 D N -0.587 119.862 120.400 0.082 0.000 2.194 258 D HA -0.112 4.537 4.640 0.014 0.000 0.204 258 D C 1.573 177.964 176.300 0.152 0.000 0.964 258 D CA 0.626 54.676 54.000 0.083 0.000 0.846 258 D CB -0.392 40.445 40.800 0.062 0.000 0.962 258 D HN 0.202 nan 8.370 nan 0.000 0.490 259 F N 1.728 121.752 119.950 0.122 0.000 2.126 259 F HA -0.153 4.382 4.527 0.013 0.000 0.299 259 F C 2.012 177.804 175.800 -0.013 0.000 1.096 259 F CA 1.152 59.243 58.000 0.151 0.000 1.255 259 F CB -0.359 38.825 39.000 0.307 0.000 0.997 259 F HN -0.136 nan 8.300 nan 0.000 0.479 260 I N -0.254 120.153 120.570 -0.270 0.000 2.333 260 I HA -0.189 3.990 4.170 0.014 0.000 0.246 260 I C 2.654 178.579 176.117 -0.321 0.000 1.106 260 I CA 0.984 62.015 61.300 -0.448 0.000 1.411 260 I CB -0.839 37.015 38.000 -0.244 0.000 1.082 260 I HN 0.207 nan 8.210 nan 0.000 0.420 261 A N 1.096 123.850 122.820 -0.111 0.000 1.858 261 A HA -0.200 4.128 4.320 0.014 0.000 0.216 261 A C 2.380 179.927 177.584 -0.063 0.000 1.190 261 A CA 1.645 53.683 52.037 0.001 0.000 0.617 261 A CB -0.521 18.497 19.000 0.030 0.000 0.827 261 A HN 0.312 nan 8.150 nan 0.000 0.443 262 R N -1.002 119.453 120.500 -0.074 0.000 2.100 262 R HA 0.027 4.375 4.340 0.014 0.000 0.220 262 R C 1.073 177.311 176.300 -0.104 0.000 1.091 262 R CA 1.394 57.462 56.100 -0.054 0.000 0.986 262 R CB -0.060 30.242 30.300 0.003 0.000 0.888 262 R HN 0.589 nan 8.270 nan 0.000 0.444 263 D N -0.352 119.932 120.400 -0.193 0.000 3.194 263 D HA -0.034 4.615 4.640 0.014 0.000 0.290 263 D C 1.721 177.751 176.300 -0.450 0.000 1.280 263 D CA 0.044 53.934 54.000 -0.184 0.000 1.058 263 D CB -0.282 40.588 40.800 0.116 0.000 1.241 263 D HN -0.062 nan 8.370 nan 0.000 0.421 264 L N 2.150 122.836 121.223 -0.895 0.000 1.994 264 L HA 0.039 4.387 4.340 0.014 0.000 0.208 264 L C 2.291 178.704 176.870 -0.762 0.000 1.071 264 L CA 2.272 56.541 54.840 -0.952 0.000 0.745 264 L CB -1.070 40.156 42.059 -1.388 0.000 0.892 264 L HN 0.114 nan 8.230 nan 0.000 0.431 265 G N -0.498 107.747 108.800 -0.924 0.000 2.491 265 G HA2 -0.232 3.737 3.960 0.014 0.000 0.218 265 G HA3 -0.232 3.737 3.960 0.014 0.000 0.218 265 G C -0.681 173.524 174.900 -1.159 0.000 1.180 265 G CA 1.032 45.284 45.100 -1.414 0.000 0.774 265 G HN 0.371 nan 8.290 nan 0.000 0.562 266 P HA 0.007 nan 4.420 nan 0.000 0.216 266 P C 2.099 179.275 177.300 -0.207 0.000 1.153 266 P CA 1.721 64.617 63.100 -0.341 0.000 0.844 266 P CB -0.198 31.379 31.700 -0.206 0.000 0.787 267 T N -0.154 114.259 114.554 -0.235 0.000 2.720 267 T HA -0.143 4.216 4.350 0.014 0.000 0.268 267 T C 1.758 176.396 174.700 -0.104 0.000 1.037 267 T CA 1.200 63.218 62.100 -0.138 0.000 1.144 267 T CB -0.974 67.817 68.868 -0.129 0.000 0.864 267 T HN 0.050 nan 8.240 nan 0.000 0.444 268 L N 0.611 121.738 121.223 -0.161 0.000 2.027 268 L HA -0.015 4.334 4.340 0.014 0.000 0.206 268 L C 3.076 179.950 176.870 0.007 0.000 1.074 268 L CA 1.133 55.931 54.840 -0.069 0.000 0.745 268 L CB -0.675 41.308 42.059 -0.126 0.000 0.898 268 L HN 0.241 nan 8.230 nan 0.000 0.433 269 A N -0.074 122.743 122.820 -0.004 0.000 2.024 269 A HA -0.260 4.069 4.320 0.014 0.000 0.220 269 A C 1.896 179.518 177.584 0.064 0.000 1.164 269 A CA 2.212 54.308 52.037 0.099 0.000 0.643 269 A CB -0.653 18.457 19.000 0.184 0.000 0.806 269 A HN 0.479 nan 8.150 nan 0.000 0.451 270 N N -0.595 118.108 118.700 0.006 0.000 2.270 270 N HA 0.041 4.790 4.740 0.014 0.000 0.198 270 N C 0.298 175.777 175.510 -0.052 0.000 1.117 270 N CA 0.681 53.718 53.050 -0.022 0.000 0.845 270 N CB 0.025 38.500 38.487 -0.020 0.000 0.980 270 N HN 0.518 nan 8.380 nan 0.000 0.486 271 S N -2.409 113.264 115.700 -0.046 0.000 2.739 271 S HA 0.245 4.723 4.470 0.014 0.000 0.306 271 S C 1.259 175.745 174.600 -0.190 0.000 1.115 271 S CA -0.178 57.977 58.200 -0.076 0.000 0.985 271 S CB 0.717 63.938 63.200 0.036 0.000 1.133 271 S HN 0.200 nan 8.310 nan 0.000 0.541 272 T N -1.874 112.494 114.554 -0.311 0.000 3.163 272 T HA -0.018 4.340 4.350 0.014 0.000 0.260 272 T C 0.544 175.032 174.700 -0.354 0.000 1.156 272 T CA 0.712 62.574 62.100 -0.397 0.000 1.072 272 T CB -0.764 67.853 68.868 -0.417 0.000 0.937 272 T HN 0.741 nan 8.240 nan 0.000 0.528 273 H N 0.751 119.864 119.070 0.071 0.000 2.507 273 H HA 0.181 4.746 4.556 0.013 0.000 0.294 273 H C 1.559 176.989 175.328 0.170 0.000 1.064 273 H CA 0.389 56.510 56.048 0.122 0.000 1.138 273 H CB -0.628 29.175 29.762 0.068 0.000 1.515 273 H HN 0.887 nan 8.280 nan 0.000 0.547 274 H N -0.595 118.496 119.070 0.035 0.000 2.489 274 H HA -0.011 4.553 4.556 0.014 0.000 0.293 274 H C 0.936 176.272 175.328 0.014 0.000 1.066 274 H CA 0.711 56.771 56.048 0.020 0.000 1.305 274 H CB 0.210 29.974 29.762 0.003 0.000 1.386 274 H HN 0.051 nan 8.280 nan 0.000 0.551 275 N N 1.175 119.785 118.700 -0.151 0.000 2.412 275 N HA 0.028 4.777 4.740 0.014 0.000 0.184 275 N C -0.161 175.294 175.510 -0.091 0.000 1.101 275 N CA 0.133 53.059 53.050 -0.207 0.000 0.881 275 N CB 0.657 39.021 38.487 -0.205 0.000 0.969 275 N HN 0.145 nan 8.380 nan 0.000 0.459 276 V N 3.393 123.300 119.914 -0.013 0.000 2.529 276 V HA 0.002 4.130 4.120 0.014 0.000 0.292 276 V C 0.852 176.842 176.094 -0.175 0.000 1.028 276 V CA -0.205 62.065 62.300 -0.050 0.000 1.074 276 V CB 0.315 32.160 31.823 0.036 0.000 0.958 276 V HN 0.086 nan 8.190 nan 0.000 0.481 277 R N 3.433 123.722 120.500 -0.350 0.000 2.641 277 R HA 0.389 4.738 4.340 0.014 0.000 0.269 277 R C -0.430 175.691 176.300 -0.299 0.000 1.074 277 R CA -0.756 55.101 56.100 -0.405 0.000 1.133 277 R CB 0.400 30.280 30.300 -0.699 0.000 1.029 277 R HN 0.516 nan 8.270 nan 0.000 0.488 278 L N 2.997 124.117 121.223 -0.173 0.000 2.296 278 L HA 0.423 4.771 4.340 0.014 0.000 0.286 278 L C -1.017 175.778 176.870 -0.125 0.000 1.023 278 L CA -0.246 54.499 54.840 -0.158 0.000 0.812 278 L CB 1.068 43.044 42.059 -0.137 0.000 1.223 278 L HN 0.430 nan 8.230 nan 0.000 0.421 279 L N 5.909 127.041 121.223 -0.152 0.000 2.317 279 L HA 0.571 4.920 4.340 0.014 0.000 0.281 279 L C 0.349 177.162 176.870 -0.094 0.000 1.024 279 L CA -0.682 54.092 54.840 -0.111 0.000 0.810 279 L CB 1.625 43.608 42.059 -0.126 0.000 1.240 279 L HN 0.768 nan 8.230 nan 0.000 0.427 280 M N 1.896 121.452 119.600 -0.074 0.000 2.369 280 M HA 0.494 4.983 4.480 0.014 0.000 0.291 280 M C 0.693 176.947 176.300 -0.075 0.000 1.178 280 M CA -0.294 54.970 55.300 -0.060 0.000 0.996 280 M CB 1.341 33.920 32.600 -0.034 0.000 1.472 280 M HN 0.509 nan 8.290 nan 0.000 0.496 281 L N 0.332 121.515 121.223 -0.067 0.000 3.730 281 L HA -0.363 3.986 4.340 0.014 0.000 0.053 281 L C 0.320 176.958 176.870 -0.387 0.000 4.266 281 L CA 3.024 57.707 54.840 -0.262 0.000 0.726 281 L CB -1.853 40.059 42.059 -0.245 0.000 3.467 281 L HN 1.176 nan 8.230 nan 0.000 0.870 282 D N 0.456 120.656 120.400 -0.334 0.000 2.697 282 D HA -0.085 4.564 4.640 0.014 0.000 0.238 282 D C -0.407 175.320 176.300 -0.955 0.000 1.152 282 D CA 1.441 55.166 54.000 -0.459 0.000 0.666 282 D CB -0.704 39.915 40.800 -0.302 0.000 1.037 282 D HN 0.703 nan 8.370 nan 0.000 0.423 283 D N -0.897 118.981 120.400 -0.871 0.000 2.692 283 D HA 0.145 4.794 4.640 0.014 0.000 0.303 283 D C -0.512 175.525 176.300 -0.439 0.000 1.278 283 D CA -0.461 53.069 54.000 -0.783 0.000 0.852 283 D CB 0.689 41.061 40.800 -0.713 0.000 1.375 283 D HN -0.118 nan 8.370 nan 0.000 0.453 284 Q N 0.783 120.425 119.800 -0.263 0.000 2.304 284 Q HA 0.033 4.381 4.340 0.014 0.000 0.301 284 Q C 1.125 177.040 176.000 -0.143 0.000 1.063 284 Q CA 0.364 56.105 55.803 -0.103 0.000 0.947 284 Q CB 0.233 28.935 28.738 -0.061 0.000 1.201 284 Q HN 0.520 nan 8.270 nan 0.000 0.389 285 R N 1.592 122.047 120.500 -0.076 0.000 2.285 285 R HA -0.133 4.216 4.340 0.014 0.000 0.213 285 R C 1.478 177.736 176.300 -0.069 0.000 1.068 285 R CA 1.137 57.194 56.100 -0.071 0.000 1.004 285 R CB -0.608 29.670 30.300 -0.037 0.000 0.873 285 R HN 0.490 nan 8.270 nan 0.000 0.467 286 L N -0.985 120.188 121.223 -0.083 0.000 2.456 286 L HA 0.067 4.416 4.340 0.014 0.000 0.224 286 L C 1.596 178.445 176.870 -0.034 0.000 1.148 286 L CA 1.294 56.093 54.840 -0.067 0.000 0.825 286 L CB -0.348 41.657 42.059 -0.090 0.000 0.937 286 L HN 0.091 nan 8.230 nan 0.000 0.450 287 L N -0.284 120.889 121.223 -0.084 0.000 2.610 287 L HA 0.174 4.523 4.340 0.014 0.000 0.232 287 L C 0.585 177.513 176.870 0.097 0.000 1.149 287 L CA 0.053 54.865 54.840 -0.047 0.000 0.872 287 L CB -0.185 41.609 42.059 -0.442 0.000 0.992 287 L HN 0.258 nan 8.230 nan 0.000 0.447 288 L N 0.601 121.858 121.223 0.057 0.000 2.334 288 L HA 0.306 4.654 4.340 0.014 0.000 0.275 288 L C -1.380 175.563 176.870 0.121 0.000 1.036 288 L CA -1.515 53.392 54.840 0.113 0.000 0.807 288 L CB 1.333 43.436 42.059 0.073 0.000 1.231 288 L HN -0.219 nan 8.230 nan 0.000 0.438 289 P HA -0.064 nan 4.420 nan 0.000 0.249 289 P C 0.938 178.381 177.300 0.237 0.000 1.229 289 P CA 0.583 63.802 63.100 0.199 0.000 0.788 289 P CB 0.131 31.953 31.700 0.203 0.000 1.072 290 H N -0.266 118.903 119.070 0.164 0.000 2.319 290 H HA -0.170 4.394 4.556 0.014 0.000 0.297 290 H C 1.440 176.874 175.328 0.177 0.000 1.097 290 H CA 2.192 58.335 56.048 0.158 0.000 1.285 290 H CB -0.814 29.040 29.762 0.153 0.000 1.368 290 H HN 0.019 nan 8.280 nan 0.000 0.495 291 W N 0.556 121.780 121.300 -0.125 0.000 2.363 291 W HA -0.034 4.634 4.660 0.013 0.000 0.296 291 W C 2.900 179.288 176.519 -0.218 0.000 1.212 291 W CA 1.931 59.150 57.345 -0.211 0.000 1.260 291 W CB -0.910 28.482 29.460 -0.114 0.000 1.131 291 W HN 0.391 nan 8.180 nan 0.000 0.530 292 A N 0.182 123.035 122.820 0.055 0.000 1.902 292 A HA -0.218 4.110 4.320 0.014 0.000 0.217 292 A C 1.980 179.355 177.584 -0.348 0.000 1.181 292 A CA 1.924 53.852 52.037 -0.182 0.000 0.623 292 A CB -0.640 18.289 19.000 -0.118 0.000 0.818 292 A HN 0.291 nan 8.150 nan 0.000 0.443 293 K N -0.444 119.916 120.400 -0.067 0.000 2.009 293 K HA -0.097 4.232 4.320 0.014 0.000 0.210 293 K C 1.916 178.448 176.600 -0.114 0.000 1.049 293 K CA 1.529 57.842 56.287 0.044 0.000 0.929 293 K CB -0.493 32.090 32.500 0.138 0.000 0.714 293 K HN 0.292 nan 8.250 nan 0.000 0.440 294 V N 1.126 120.888 119.914 -0.254 0.000 2.287 294 V HA -0.246 3.883 4.120 0.014 0.000 0.248 294 V C 2.301 178.263 176.094 -0.221 0.000 1.053 294 V CA 1.692 63.824 62.300 -0.281 0.000 1.027 294 V CB -0.378 31.157 31.823 -0.480 0.000 0.646 294 V HN 0.105 nan 8.190 nan 0.000 0.447 295 V N -0.527 119.245 119.914 -0.237 0.000 2.283 295 V HA -0.139 3.989 4.120 0.014 0.000 0.243 295 V C 2.119 178.098 176.094 -0.191 0.000 1.039 295 V CA 1.672 63.858 62.300 -0.190 0.000 1.016 295 V CB -0.466 31.263 31.823 -0.156 0.000 0.650 295 V HN 0.425 nan 8.190 nan 0.000 0.449 296 L N 0.806 121.848 121.223 -0.303 0.000 2.552 296 L HA -0.034 4.315 4.340 0.014 0.000 0.227 296 L C 2.302 179.081 176.870 -0.151 0.000 1.146 296 L CA 1.406 56.037 54.840 -0.349 0.000 0.858 296 L CB -0.673 40.891 42.059 -0.825 0.000 0.969 296 L HN 0.570 nan 8.230 nan 0.000 0.451 297 T N -5.341 109.173 114.554 -0.066 0.000 3.107 297 T HA -0.007 4.352 4.350 0.014 0.000 0.249 297 T C 0.609 175.304 174.700 -0.009 0.000 1.096 297 T CA -0.346 61.774 62.100 0.034 0.000 1.012 297 T CB -0.131 68.789 68.868 0.087 0.000 0.977 297 T HN -0.002 nan 8.240 nan 0.000 0.527 298 D N 3.188 123.561 120.400 -0.043 0.000 2.365 298 D HA 0.225 4.873 4.640 0.014 0.000 0.237 298 D C -1.417 174.860 176.300 -0.039 0.000 1.190 298 D CA -2.601 51.376 54.000 -0.038 0.000 0.867 298 D CB 1.836 42.609 40.800 -0.045 0.000 1.050 298 D HN 0.054 nan 8.370 nan 0.000 0.491 299 P HA -0.105 nan 4.420 nan 0.000 0.222 299 P C 0.918 178.179 177.300 -0.064 0.000 1.147 299 P CA 0.631 63.703 63.100 -0.046 0.000 0.790 299 P CB 0.602 32.279 31.700 -0.037 0.000 0.780 300 E N -0.071 120.106 120.200 -0.038 0.000 2.150 300 E HA -0.063 4.296 4.350 0.014 0.000 0.193 300 E C 2.055 178.676 176.600 0.035 0.000 0.985 300 E CA 1.229 57.621 56.400 -0.014 0.000 0.814 300 E CB -0.706 29.009 29.700 0.025 0.000 0.752 300 E HN 0.211 nan 8.360 nan 0.000 0.466 301 A N 1.186 124.017 122.820 0.018 0.000 1.861 301 A HA 0.101 4.430 4.320 0.014 0.000 0.212 301 A C 2.417 180.001 177.584 0.001 0.000 1.199 301 A CA 1.531 53.596 52.037 0.046 0.000 0.613 301 A CB -0.685 18.304 19.000 -0.019 0.000 0.846 301 A HN 0.233 nan 8.150 nan 0.000 0.446 302 A N 1.307 124.089 122.820 -0.064 0.000 1.971 302 A HA -0.282 4.046 4.320 0.014 0.000 0.222 302 A C 2.056 179.569 177.584 -0.118 0.000 1.182 302 A CA 2.374 54.356 52.037 -0.091 0.000 0.649 302 A CB -0.703 18.247 19.000 -0.083 0.000 0.818 302 A HN 0.742 nan 8.150 nan 0.000 0.458 303 K N -1.980 118.294 120.400 -0.209 0.000 2.365 303 K HA -0.085 4.243 4.320 0.014 0.000 0.199 303 K C 1.139 177.497 176.600 -0.404 0.000 1.045 303 K CA 1.476 57.566 56.287 -0.328 0.000 0.962 303 K CB -0.378 31.844 32.500 -0.463 0.000 0.759 303 K HN 0.576 nan 8.250 nan 0.000 0.469 304 Y N 0.947 121.200 120.300 -0.078 0.000 2.462 304 Y HA 0.188 4.747 4.550 0.016 0.000 0.261 304 Y C 0.302 176.148 175.900 -0.090 0.000 1.146 304 Y CA -0.698 57.346 58.100 -0.092 0.000 1.283 304 Y CB 1.006 39.387 38.460 -0.132 0.000 1.090 304 Y HN -0.206 nan 8.280 nan 0.000 0.526 305 V N 0.791 120.727 119.914 0.036 0.000 2.364 305 V HA 0.042 4.171 4.120 0.014 0.000 0.272 305 V C 0.670 176.774 176.094 0.018 0.000 1.036 305 V CA -0.357 61.943 62.300 0.000 0.000 0.880 305 V CB 0.981 32.772 31.823 -0.054 0.000 0.991 305 V HN 0.309 nan 8.190 nan 0.000 0.460 306 H N 4.196 123.223 119.070 -0.072 0.000 2.384 306 H HA 0.370 4.935 4.556 0.014 0.000 0.300 306 H C 0.861 176.169 175.328 -0.033 0.000 1.057 306 H CA 1.251 57.265 56.048 -0.057 0.000 1.370 306 H CB 0.580 30.288 29.762 -0.091 0.000 1.417 306 H HN 0.735 nan 8.280 nan 0.000 0.527 307 G N -0.860 107.872 108.800 -0.113 0.000 2.706 307 G HA2 0.481 4.450 3.960 0.014 0.000 0.307 307 G HA3 0.481 4.450 3.960 0.014 0.000 0.307 307 G C -1.567 173.302 174.900 -0.051 0.000 1.307 307 G CA -0.614 44.412 45.100 -0.123 0.000 0.790 307 G HN 0.136 nan 8.290 nan 0.000 0.503 308 I N 0.962 121.532 120.570 -0.001 0.000 2.468 308 I HA 0.557 4.736 4.170 0.014 0.000 0.285 308 I C 0.230 176.387 176.117 0.067 0.000 1.039 308 I CA -0.766 60.539 61.300 0.007 0.000 1.074 308 I CB 2.052 40.058 38.000 0.009 0.000 1.228 308 I HN 0.638 nan 8.210 nan 0.000 0.436 309 A N 6.574 129.420 122.820 0.044 0.000 2.309 309 A HA 0.803 5.132 4.320 0.014 0.000 0.298 309 A C -0.318 177.264 177.584 -0.004 0.000 1.165 309 A CA -0.455 51.652 52.037 0.118 0.000 0.821 309 A CB 0.921 19.999 19.000 0.129 0.000 1.102 309 A HN 0.612 nan 8.150 nan 0.000 0.500 310 V N 0.786 120.714 119.914 0.023 0.000 2.823 310 V HA 0.662 4.790 4.120 0.014 0.000 0.312 310 V C -0.469 175.682 176.094 0.096 0.000 1.072 310 V CA -0.735 61.551 62.300 -0.023 0.000 0.937 310 V CB 1.193 33.001 31.823 -0.024 0.000 1.013 310 V HN 0.956 nan 8.190 nan 0.000 0.430 311 H N 2.758 121.761 119.070 -0.113 0.000 2.651 311 H HA 0.376 4.940 4.556 0.014 0.000 0.353 311 H C -0.465 174.871 175.328 0.013 0.000 1.178 311 H CA -0.359 55.647 56.048 -0.070 0.000 1.224 311 H CB 2.280 32.091 29.762 0.082 0.000 1.702 311 H HN 0.964 nan 8.280 nan 0.000 0.550 312 W N 2.154 123.287 121.300 -0.278 0.000 3.220 312 W HA 0.073 4.742 4.660 0.015 0.000 0.328 312 W C -0.231 176.126 176.519 -0.269 0.000 1.205 312 W CA -0.379 56.780 57.345 -0.310 0.000 1.773 312 W CB -0.985 28.241 29.460 -0.391 0.000 1.086 312 W HN 0.629 nan 8.180 nan 0.000 0.622 313 Y N 1.643 122.093 120.300 0.249 0.000 2.352 313 Y HA 0.023 4.582 4.550 0.015 0.000 0.292 313 Y C 1.795 177.722 175.900 0.044 0.000 1.136 313 Y CA 1.363 59.511 58.100 0.080 0.000 1.227 313 Y CB -0.357 38.213 38.460 0.182 0.000 0.991 313 Y HN -0.164 nan 8.280 nan 0.000 0.545 314 L N -0.055 121.248 121.223 0.132 0.000 3.094 314 L HA 0.184 4.532 4.340 0.014 0.000 0.254 314 L C 0.421 177.194 176.870 -0.161 0.000 1.298 314 L CA -0.168 54.676 54.840 0.007 0.000 1.050 314 L CB 0.160 42.174 42.059 -0.075 0.000 1.420 314 L HN 0.010 nan 8.230 nan 0.000 0.548 315 D N 0.866 121.218 120.400 -0.081 0.000 2.263 315 D HA -0.189 4.460 4.640 0.014 0.000 0.208 315 D C 1.983 178.233 176.300 -0.084 0.000 0.971 315 D CA 1.214 55.161 54.000 -0.089 0.000 0.867 315 D CB 0.065 40.831 40.800 -0.057 0.000 0.929 315 D HN 0.509 nan 8.370 nan 0.000 0.492 316 F N -0.525 119.373 119.950 -0.086 0.000 2.234 316 F HA -0.064 4.471 4.527 0.014 0.000 0.299 316 F C 1.647 177.430 175.800 -0.028 0.000 1.087 316 F CA 0.582 58.551 58.000 -0.053 0.000 1.340 316 F CB -0.402 38.569 39.000 -0.049 0.000 1.031 316 F HN -0.137 nan 8.300 nan 0.000 0.500 317 L N 0.676 121.353 121.223 -0.910 0.000 2.509 317 L HA 0.371 4.719 4.340 0.014 0.000 0.222 317 L C 0.792 177.483 176.870 -0.298 0.000 1.123 317 L CA 0.385 54.829 54.840 -0.660 0.000 0.856 317 L CB -1.252 40.341 42.059 -0.777 0.000 0.985 317 L HN 0.365 nan 8.230 nan 0.000 0.456 318 A N 1.077 123.757 122.820 -0.234 0.000 2.709 318 A HA 0.598 4.927 4.320 0.014 0.000 0.332 318 A C -2.401 175.108 177.584 -0.124 0.000 1.241 318 A CA -1.130 50.815 52.037 -0.153 0.000 0.782 318 A CB 0.115 19.031 19.000 -0.140 0.000 1.109 318 A HN -0.087 nan 8.150 nan 0.000 0.472 319 P HA 0.148 nan 4.420 nan 0.000 0.264 319 P C 1.117 178.289 177.300 -0.213 0.000 1.193 319 P CA 0.522 63.543 63.100 -0.131 0.000 0.763 319 P CB 1.136 32.779 31.700 -0.096 0.000 0.810 320 A N 4.675 127.289 122.820 -0.344 0.000 1.908 320 A HA -0.244 4.084 4.320 0.014 0.000 0.218 320 A C 2.165 179.334 177.584 -0.692 0.000 1.181 320 A CA 1.995 53.700 52.037 -0.554 0.000 0.627 320 A CB -1.032 17.480 19.000 -0.813 0.000 0.818 320 A HN 0.589 nan 8.150 nan 0.000 0.445 321 K N -0.331 119.626 120.400 -0.738 0.000 2.063 321 K HA -0.084 4.244 4.320 0.014 0.000 0.208 321 K C 1.889 178.448 176.600 -0.068 0.000 1.048 321 K CA 1.359 57.462 56.287 -0.307 0.000 0.928 321 K CB -0.312 32.153 32.500 -0.058 0.000 0.713 321 K HN 0.370 nan 8.250 nan 0.000 0.442 322 A N 0.079 122.850 122.820 -0.081 0.000 2.167 322 A HA -0.025 4.304 4.320 0.014 0.000 0.214 322 A C 1.750 179.335 177.584 0.002 0.000 1.151 322 A CA 1.458 53.484 52.037 -0.018 0.000 0.735 322 A CB -0.303 18.682 19.000 -0.025 0.000 0.802 322 A HN 0.637 nan 8.150 nan 0.000 0.467 323 T N -2.950 111.591 114.554 -0.021 0.000 3.478 323 T HA 0.204 4.563 4.350 0.014 0.000 0.223 323 T C 1.768 176.504 174.700 0.060 0.000 0.958 323 T CA 0.523 62.631 62.100 0.013 0.000 1.324 323 T CB -0.711 68.141 68.868 -0.026 0.000 1.262 323 T HN 0.082 nan 8.240 nan 0.000 0.379 324 L N 1.617 122.867 121.223 0.044 0.000 1.989 324 L HA 0.095 4.444 4.340 0.014 0.000 0.211 324 L C 3.140 180.170 176.870 0.267 0.000 1.071 324 L CA 1.832 56.758 54.840 0.143 0.000 0.749 324 L CB -1.172 40.968 42.059 0.135 0.000 0.890 324 L HN 0.589 nan 8.230 nan 0.000 0.431 325 G N -0.549 108.416 108.800 0.276 0.000 2.418 325 G HA2 -0.300 3.669 3.960 0.014 0.000 0.217 325 G HA3 -0.300 3.669 3.960 0.014 0.000 0.217 325 G C 1.492 176.565 174.900 0.288 0.000 1.158 325 G CA 0.866 46.224 45.100 0.431 0.000 0.771 325 G HN 0.326 nan 8.290 nan 0.000 0.545 326 E N 0.486 120.794 120.200 0.180 0.000 2.072 326 E HA -0.068 4.291 4.350 0.014 0.000 0.191 326 E C 2.617 179.290 176.600 0.120 0.000 0.985 326 E CA 1.617 58.090 56.400 0.122 0.000 0.801 326 E CB -0.624 29.130 29.700 0.090 0.000 0.750 326 E HN 0.305 nan 8.360 nan 0.000 0.452 327 T N 0.076 114.735 114.554 0.175 0.000 2.788 327 T HA -0.175 4.184 4.350 0.014 0.000 0.268 327 T C 1.626 176.452 174.700 0.210 0.000 1.044 327 T CA 1.402 63.645 62.100 0.238 0.000 1.139 327 T CB -0.467 68.543 68.868 0.237 0.000 0.867 327 T HN 0.375 nan 8.240 nan 0.000 0.454 328 H N 1.229 120.357 119.070 0.098 0.000 2.389 328 H HA 0.077 4.641 4.556 0.014 0.000 0.299 328 H C 2.575 177.857 175.328 -0.077 0.000 1.081 328 H CA 1.249 57.287 56.048 -0.016 0.000 1.345 328 H CB -0.038 29.610 29.762 -0.190 0.000 1.393 328 H HN 0.237 nan 8.280 nan 0.000 0.520 329 R N 0.291 120.737 120.500 -0.090 0.000 2.096 329 R HA -0.076 4.273 4.340 0.014 0.000 0.235 329 R C 2.519 178.663 176.300 -0.261 0.000 1.127 329 R CA 1.146 57.156 56.100 -0.151 0.000 0.968 329 R CB -0.013 30.276 30.300 -0.019 0.000 0.861 329 R HN 0.317 nan 8.270 nan 0.000 0.440 330 L N -0.856 120.184 121.223 -0.305 0.000 2.131 330 L HA 0.024 4.372 4.340 0.014 0.000 0.206 330 L C 0.288 176.598 176.870 -0.934 0.000 1.087 330 L CA 0.769 55.212 54.840 -0.662 0.000 0.767 330 L CB 0.229 41.809 42.059 -0.799 0.000 0.917 330 L HN 0.091 nan 8.230 nan 0.000 0.441 331 F N -0.885 118.995 119.950 -0.117 0.000 2.593 331 F HA 0.295 4.831 4.527 0.015 0.000 0.336 331 F C -1.747 173.950 175.800 -0.170 0.000 1.491 331 F CA -1.430 56.505 58.000 -0.108 0.000 1.114 331 F CB 0.320 39.287 39.000 -0.055 0.000 1.468 331 F HN -0.160 nan 8.300 nan 0.000 0.579 332 P HA -0.074 nan 4.420 nan 0.000 0.230 332 P C 0.504 177.751 177.300 -0.087 0.000 1.158 332 P CA 1.143 64.009 63.100 -0.389 0.000 0.769 332 P CB 0.361 31.770 31.700 -0.485 0.000 0.807 333 N N -0.867 117.827 118.700 -0.010 0.000 2.270 333 N HA 0.037 4.786 4.740 0.014 0.000 0.198 333 N C -0.055 175.461 175.510 0.009 0.000 1.117 333 N CA 0.449 53.509 53.050 0.017 0.000 0.845 333 N CB 0.102 38.596 38.487 0.013 0.000 0.980 333 N HN 0.054 nan 8.380 nan 0.000 0.486 334 T N 2.646 117.219 114.554 0.031 0.000 2.801 334 T HA 0.291 4.650 4.350 0.014 0.000 0.306 334 T C 0.582 175.284 174.700 0.003 0.000 1.020 334 T CA -0.723 61.364 62.100 -0.023 0.000 0.948 334 T CB 0.608 69.469 68.868 -0.011 0.000 0.962 334 T HN 0.101 nan 8.240 nan 0.000 0.465 335 M N 3.522 123.077 119.600 -0.075 0.000 2.252 335 M HA 0.392 4.880 4.480 0.014 0.000 0.333 335 M C -0.926 175.424 176.300 0.083 0.000 1.111 335 M CA 0.248 55.560 55.300 0.021 0.000 1.140 335 M CB -0.247 32.349 32.600 -0.007 0.000 1.538 335 M HN 0.340 nan 8.290 nan 0.000 0.448 336 L N 3.542 124.858 121.223 0.155 0.000 2.295 336 L HA 0.669 5.017 4.340 0.014 0.000 0.285 336 L C -1.120 175.898 176.870 0.247 0.000 1.035 336 L CA -0.286 54.658 54.840 0.174 0.000 0.806 336 L CB 1.109 43.271 42.059 0.171 0.000 1.214 336 L HN 0.835 nan 8.230 nan 0.000 0.426 337 F N 2.681 122.658 119.950 0.045 0.000 2.561 337 F HA 0.683 5.219 4.527 0.014 0.000 0.313 337 F C -0.262 175.535 175.800 -0.005 0.000 1.126 337 F CA -0.722 57.303 58.000 0.042 0.000 0.918 337 F CB 1.476 40.544 39.000 0.113 0.000 1.199 337 F HN 0.442 nan 8.300 nan 0.000 0.444 338 A N 3.561 125.980 122.820 -0.668 0.000 2.350 338 A HA 0.438 4.767 4.320 0.014 0.000 0.293 338 A C 0.491 177.572 177.584 -0.838 0.000 1.231 338 A CA 0.290 51.954 52.037 -0.621 0.000 0.883 338 A CB -0.173 18.447 19.000 -0.633 0.000 1.133 338 A HN 0.991 nan 8.150 nan 0.000 0.533 339 S N 1.161 116.652 115.700 -0.349 0.000 2.539 339 S HA 0.273 4.751 4.470 0.014 0.000 0.221 339 S C 0.217 174.600 174.600 -0.361 0.000 0.987 339 S CA 0.139 58.249 58.200 -0.149 0.000 0.929 339 S CB 0.106 63.468 63.200 0.270 0.000 0.832 339 S HN 0.789 nan 8.310 nan 0.000 0.492 340 E N -0.116 119.680 120.200 -0.672 0.000 2.343 340 E HA 0.611 4.970 4.350 0.014 0.000 0.286 340 E C -1.926 174.117 176.600 -0.928 0.000 0.915 340 E CA -0.470 55.441 56.400 -0.817 0.000 0.784 340 E CB 1.827 30.799 29.700 -1.215 0.000 1.251 340 E HN 0.350 nan 8.360 nan 0.000 0.407 341 A N 2.287 124.490 122.820 -1.028 0.000 2.547 341 A HA 0.810 5.139 4.320 0.014 0.000 0.297 341 A C -1.185 175.916 177.584 -0.805 0.000 1.056 341 A CA -0.474 50.560 52.037 -1.672 0.000 0.688 341 A CB 0.870 18.365 19.000 -2.509 0.000 1.282 341 A HN 0.909 nan 8.150 nan 0.000 0.400 342 C N 0.333 119.405 119.300 -0.380 0.000 3.241 342 C HA 0.842 5.310 4.460 0.014 0.000 0.348 342 C C -0.207 175.175 174.990 0.653 0.000 1.180 342 C CA -0.229 58.959 59.018 0.284 0.000 1.273 342 C CB 0.482 28.483 27.740 0.435 0.000 1.620 342 C HN 1.892 nan 8.230 nan 0.000 0.510 343 V N 0.229 120.499 119.914 0.593 0.000 3.234 343 V HA 0.970 5.099 4.120 0.014 0.000 0.317 343 V C 1.108 177.382 176.094 0.301 0.000 1.081 343 V CA 0.444 63.048 62.300 0.506 0.000 1.037 343 V CB 0.712 32.754 31.823 0.366 0.000 1.148 343 V HN 2.916 nan 8.190 nan 0.000 0.453 344 G N 1.022 109.929 108.800 0.177 0.000 2.143 344 G HA2 -0.236 3.732 3.960 0.014 0.000 0.249 344 G HA3 -0.236 3.732 3.960 0.014 0.000 0.249 344 G C 0.668 175.625 174.900 0.095 0.000 0.981 344 G CA 0.906 46.061 45.100 0.091 0.000 0.665 344 G HN 1.887 nan 8.290 nan 0.000 0.528 345 S N -1.270 114.509 115.700 0.131 0.000 2.556 345 S HA 0.385 4.863 4.470 0.014 0.000 0.216 345 S C 0.900 175.453 174.600 -0.078 0.000 0.970 345 S CA 0.115 58.386 58.200 0.118 0.000 0.912 345 S CB 0.775 64.141 63.200 0.277 0.000 0.790 345 S HN 0.311 nan 8.310 nan 0.000 0.504 346 K N 2.178 122.378 120.400 -0.333 0.000 2.185 346 K HA 0.269 4.597 4.320 0.014 0.000 0.271 346 K C 0.851 176.994 176.600 -0.762 0.000 1.013 346 K CA -0.811 54.984 56.287 -0.819 0.000 0.943 346 K CB 0.349 31.882 32.500 -1.613 0.000 0.998 346 K HN 0.323 nan 8.250 nan 0.000 0.468 347 F N 0.231 119.875 119.950 -0.509 0.000 2.333 347 F HA -0.103 4.432 4.527 0.014 0.000 0.300 347 F C 1.433 177.213 175.800 -0.033 0.000 1.083 347 F CA 0.394 58.302 58.000 -0.154 0.000 1.395 347 F CB -0.685 38.315 39.000 -0.000 0.000 1.056 347 F HN 0.659 nan 8.300 nan 0.000 0.529 348 W N 1.277 122.395 121.300 -0.305 0.000 3.139 348 W HA 0.392 5.061 4.660 0.015 0.000 0.260 348 W C -0.021 176.475 176.519 -0.037 0.000 1.312 348 W CA -0.697 56.587 57.345 -0.101 0.000 1.606 348 W CB -1.006 28.294 29.460 -0.266 0.000 1.118 348 W HN -0.076 nan 8.180 nan 0.000 0.675 349 E N 2.012 122.047 120.200 -0.274 0.000 2.313 349 E HA 0.055 4.414 4.350 0.014 0.000 0.272 349 E C -0.231 176.366 176.600 -0.005 0.000 1.038 349 E CA -0.754 55.583 56.400 -0.106 0.000 0.863 349 E CB 0.951 30.520 29.700 -0.218 0.000 1.060 349 E HN 0.092 nan 8.360 nan 0.000 0.402 350 Q N 1.363 121.181 119.800 0.029 0.000 2.361 350 Q HA -0.000 4.348 4.340 0.014 0.000 0.276 350 Q C 0.299 176.314 176.000 0.025 0.000 1.022 350 Q CA 0.026 55.850 55.803 0.036 0.000 0.898 350 Q CB 0.811 29.556 28.738 0.011 0.000 1.246 350 Q HN 0.524 nan 8.270 nan 0.000 0.410 351 S N 1.986 117.722 115.700 0.060 0.000 2.348 351 S HA -0.036 4.443 4.470 0.014 0.000 0.221 351 S C 0.173 174.799 174.600 0.043 0.000 1.033 351 S CA 0.689 58.944 58.200 0.091 0.000 1.010 351 S CB 0.372 63.667 63.200 0.160 0.000 0.891 351 S HN 0.517 nan 8.310 nan 0.000 0.442 352 V N 1.882 121.788 119.914 -0.013 0.000 2.443 352 V HA 0.434 4.562 4.120 0.014 0.000 0.293 352 V C -0.449 175.547 176.094 -0.164 0.000 1.021 352 V CA -0.568 61.694 62.300 -0.064 0.000 0.848 352 V CB 1.589 33.377 31.823 -0.058 0.000 0.998 352 V HN 0.158 nan 8.190 nan 0.000 0.424 353 R N 4.650 124.991 120.500 -0.265 0.000 2.335 353 R HA 0.489 4.837 4.340 0.014 0.000 0.302 353 R C -0.780 175.265 176.300 -0.425 0.000 1.147 353 R CA -0.570 55.157 56.100 -0.622 0.000 1.111 353 R CB 1.073 30.908 30.300 -0.775 0.000 1.122 353 R HN 0.630 nan 8.270 nan 0.000 0.557 354 L N 2.361 123.446 121.223 -0.230 0.000 2.615 354 L HA 0.011 4.359 4.340 0.014 0.000 0.271 354 L C 1.279 178.240 176.870 0.151 0.000 1.183 354 L CA 0.962 55.724 54.840 -0.130 0.000 0.933 354 L CB 0.474 42.182 42.059 -0.586 0.000 1.199 354 L HN 1.003 nan 8.230 nan 0.000 0.487 355 G N 1.973 110.850 108.800 0.129 0.000 2.144 355 G HA2 -0.260 3.709 3.960 0.014 0.000 0.218 355 G HA3 -0.260 3.709 3.960 0.014 0.000 0.218 355 G C 0.325 175.364 174.900 0.231 0.000 0.988 355 G CA 0.092 45.332 45.100 0.233 0.000 0.659 355 G HN 0.646 nan 8.290 nan 0.000 0.522 356 S N 0.099 115.864 115.700 0.109 0.000 2.443 356 S HA 0.293 4.772 4.470 0.014 0.000 0.284 356 S C 1.239 175.909 174.600 0.117 0.000 1.206 356 S CA 0.426 58.676 58.200 0.083 0.000 1.074 356 S CB -0.010 63.147 63.200 -0.071 0.000 0.963 356 S HN 0.451 nan 8.310 nan 0.000 0.501 357 W N 4.701 126.001 121.300 0.000 0.000 2.409 357 W HA -0.132 4.537 4.660 0.015 0.000 0.299 357 W C 1.478 177.945 176.519 -0.086 0.000 1.203 357 W CA 1.681 59.018 57.345 -0.013 0.000 1.298 357 W CB -0.537 28.914 29.460 -0.014 0.000 1.127 357 W HN 0.957 nan 8.180 nan 0.000 0.528 358 D N 0.197 120.587 120.400 -0.017 0.000 2.133 358 D HA -0.269 4.380 4.640 0.014 0.000 0.192 358 D C 2.147 178.352 176.300 -0.158 0.000 1.001 358 D CA 2.307 56.255 54.000 -0.088 0.000 0.844 358 D CB -0.187 40.604 40.800 -0.014 0.000 0.944 358 D HN 0.062 nan 8.370 nan 0.000 0.447 359 R N -0.462 119.949 120.500 -0.147 0.000 2.092 359 R HA 0.060 4.408 4.340 0.014 0.000 0.231 359 R C 2.581 178.707 176.300 -0.291 0.000 1.119 359 R CA 1.066 57.086 56.100 -0.133 0.000 0.970 359 R CB -0.472 29.759 30.300 -0.115 0.000 0.864 359 R HN 0.279 nan 8.270 nan 0.000 0.440 360 G N 1.219 109.708 108.800 -0.518 0.000 2.459 360 G HA2 -0.284 3.685 3.960 0.014 0.000 0.217 360 G HA3 -0.284 3.685 3.960 0.014 0.000 0.217 360 G C 1.449 175.697 174.900 -1.087 0.000 1.183 360 G CA 0.854 45.412 45.100 -0.903 0.000 0.776 360 G HN 0.156 nan 8.290 nan 0.000 0.552 361 M N 0.052 119.060 119.600 -0.987 0.000 2.149 361 M HA -0.129 4.359 4.480 0.014 0.000 0.261 361 M C 2.754 179.030 176.300 -0.039 0.000 1.064 361 M CA 1.383 56.433 55.300 -0.417 0.000 1.102 361 M CB -0.463 32.005 32.600 -0.220 0.000 1.369 361 M HN 0.313 nan 8.290 nan 0.000 0.408 362 Q N -0.511 119.303 119.800 0.024 0.000 2.084 362 Q HA -0.193 4.155 4.340 0.014 0.000 0.202 362 Q C 1.971 178.259 176.000 0.480 0.000 0.978 362 Q CA 1.529 57.494 55.803 0.270 0.000 0.844 362 Q CB -0.270 28.673 28.738 0.342 0.000 0.898 362 Q HN 0.463 nan 8.270 nan 0.000 0.426 363 Y N 1.048 121.417 120.300 0.116 0.000 2.070 363 Y HA -0.270 4.288 4.550 0.014 0.000 0.280 363 Y C 2.908 178.660 175.900 -0.246 0.000 1.148 363 Y CA 1.538 59.600 58.100 -0.064 0.000 1.125 363 Y CB -0.898 37.488 38.460 -0.123 0.000 0.975 363 Y HN 0.198 nan 8.280 nan 0.000 0.492 364 S N -1.327 114.441 115.700 0.113 0.000 2.402 364 S HA -0.235 4.243 4.470 0.014 0.000 0.229 364 S C 1.865 176.522 174.600 0.096 0.000 1.021 364 S CA 1.355 59.654 58.200 0.166 0.000 0.974 364 S CB -0.893 62.639 63.200 0.552 0.000 0.800 364 S HN 0.617 nan 8.310 nan 0.000 0.484 365 H N 1.824 120.940 119.070 0.076 0.000 2.321 365 H HA 0.034 4.598 4.556 0.014 0.000 0.300 365 H C 2.414 177.762 175.328 0.034 0.000 1.087 365 H CA 1.832 57.925 56.048 0.075 0.000 1.319 365 H CB -0.757 29.060 29.762 0.091 0.000 1.379 365 H HN 0.419 nan 8.280 nan 0.000 0.501 366 S N -0.647 115.066 115.700 0.022 0.000 2.348 366 S HA -0.128 4.350 4.470 0.014 0.000 0.221 366 S C 2.282 176.745 174.600 -0.228 0.000 1.033 366 S CA 1.534 59.752 58.200 0.031 0.000 1.010 366 S CB -0.458 63.011 63.200 0.448 0.000 0.891 366 S HN 0.480 nan 8.310 nan 0.000 0.442 367 I N 1.074 121.229 120.570 -0.691 0.000 2.163 367 I HA -0.215 3.963 4.170 0.014 0.000 0.243 367 I C 2.230 178.033 176.117 -0.523 0.000 1.085 367 I CA 1.461 62.184 61.300 -0.961 0.000 1.347 367 I CB -0.453 36.541 38.000 -1.677 0.000 1.044 367 I HN 0.323 nan 8.210 nan 0.000 0.408 368 I N 0.276 120.623 120.570 -0.371 0.000 2.208 368 I HA -0.301 3.878 4.170 0.014 0.000 0.245 368 I C 2.562 178.616 176.117 -0.105 0.000 1.097 368 I CA 1.694 62.930 61.300 -0.106 0.000 1.363 368 I CB -0.499 37.533 38.000 0.054 0.000 1.051 368 I HN 0.247 nan 8.210 nan 0.000 0.413 369 T N 0.378 114.838 114.554 -0.156 0.000 2.746 369 T HA -0.145 4.214 4.350 0.014 0.000 0.267 369 T C 1.751 176.487 174.700 0.060 0.000 1.039 369 T CA 1.316 63.382 62.100 -0.057 0.000 1.142 369 T CB -0.342 68.429 68.868 -0.162 0.000 0.866 369 T HN 0.351 nan 8.240 nan 0.000 0.444 370 N N 1.193 119.903 118.700 0.017 0.000 2.043 370 N HA -0.030 4.719 4.740 0.014 0.000 0.193 370 N C 1.986 177.505 175.510 0.016 0.000 1.037 370 N CA 1.096 54.184 53.050 0.064 0.000 0.851 370 N CB -0.387 38.168 38.487 0.114 0.000 1.027 370 N HN 0.325 nan 8.380 nan 0.000 0.422 371 L N 1.222 122.423 121.223 -0.036 0.000 2.081 371 L HA -0.169 4.180 4.340 0.014 0.000 0.212 371 L C 2.255 179.022 176.870 -0.171 0.000 1.080 371 L CA 0.991 55.797 54.840 -0.058 0.000 0.754 371 L CB -0.436 41.619 42.059 -0.007 0.000 0.893 371 L HN 0.173 nan 8.230 nan 0.000 0.433 372 L N -1.887 119.210 121.223 -0.209 0.000 2.376 372 L HA -0.151 4.197 4.340 0.014 0.000 0.219 372 L C 0.769 177.119 176.870 -0.867 0.000 1.133 372 L CA 0.661 55.217 54.840 -0.474 0.000 0.816 372 L CB -0.115 41.715 42.059 -0.381 0.000 0.933 372 L HN 0.229 nan 8.230 nan 0.000 0.449 373 Y N -0.947 119.137 120.300 -0.361 0.000 2.774 373 Y HA 0.225 4.783 4.550 0.014 0.000 0.305 373 Y C 0.425 176.157 175.900 -0.280 0.000 1.067 373 Y CA -0.587 57.272 58.100 -0.401 0.000 1.304 373 Y CB -0.368 38.015 38.460 -0.129 0.000 1.209 373 Y HN 0.152 nan 8.280 nan 0.000 0.543 374 H N -3.249 115.752 119.070 -0.114 0.000 3.628 374 H HA -0.145 4.420 4.556 0.014 0.000 0.173 374 H C 0.075 175.395 175.328 -0.014 0.000 0.941 374 H CA 0.501 56.468 56.048 -0.134 0.000 1.224 374 H CB -1.575 27.999 29.762 -0.314 0.000 0.992 374 H HN 0.083 nan 8.280 nan 0.000 0.383 375 V N 2.935 122.901 119.914 0.087 0.000 2.572 375 V HA 0.045 4.174 4.120 0.014 0.000 0.291 375 V C 2.007 178.136 176.094 0.058 0.000 1.039 375 V CA 0.784 63.135 62.300 0.086 0.000 1.055 375 V CB 1.523 33.381 31.823 0.059 0.000 0.969 375 V HN 0.346 nan 8.190 nan 0.000 0.482 376 V N 1.884 121.858 119.914 0.099 0.000 3.650 376 V HA 0.658 4.787 4.120 0.014 0.000 0.271 376 V C 0.687 176.775 176.094 -0.009 0.000 1.281 376 V CA 1.023 63.375 62.300 0.086 0.000 1.120 376 V CB -0.250 31.667 31.823 0.156 0.000 0.856 376 V HN 1.015 nan 8.190 nan 0.000 0.443 377 G N -1.451 107.278 108.800 -0.118 0.000 2.506 377 G HA2 0.450 4.419 3.960 0.014 0.000 0.292 377 G HA3 0.450 4.419 3.960 0.014 0.000 0.292 377 G C -2.628 171.882 174.900 -0.650 0.000 1.425 377 G CA -0.481 44.330 45.100 -0.481 0.000 0.788 377 G HN 0.352 nan 8.290 nan 0.000 0.490 378 W N 0.537 121.327 121.300 -0.851 0.000 3.259 378 W HA 0.618 5.287 4.660 0.015 0.000 0.331 378 W C -0.867 175.377 176.519 -0.459 0.000 1.144 378 W CA -0.407 56.577 57.345 -0.603 0.000 1.227 378 W CB 2.403 31.681 29.460 -0.304 0.000 1.371 378 W HN 0.567 nan 8.180 nan 0.000 0.491 379 T N 4.305 118.498 114.554 -0.603 0.000 2.847 379 T HA 0.127 4.486 4.350 0.014 0.000 0.291 379 T C -0.612 173.722 174.700 -0.610 0.000 0.998 379 T CA -0.507 61.350 62.100 -0.405 0.000 0.967 379 T CB 1.328 70.056 68.868 -0.233 0.000 0.954 379 T HN 0.343 nan 8.240 nan 0.000 0.441 380 D N 1.147 121.370 120.400 -0.296 0.000 2.354 380 D HA 0.105 4.753 4.640 0.014 0.000 0.238 380 D C 0.333 176.616 176.300 -0.029 0.000 1.250 380 D CA -0.426 53.456 54.000 -0.197 0.000 0.911 380 D CB 0.797 41.687 40.800 0.149 0.000 1.163 380 D HN 0.531 nan 8.370 nan 0.000 0.456 381 W N 1.044 122.222 121.300 -0.203 0.000 1.677 381 W HA 0.114 4.782 4.660 0.013 0.000 0.641 381 W C 0.186 176.642 176.519 -0.106 0.000 1.432 381 W CA -0.693 56.565 57.345 -0.145 0.000 1.360 381 W CB 0.033 29.413 29.460 -0.133 0.000 3.422 381 W HN 0.216 nan 8.180 nan 0.000 0.773 382 N N 2.712 120.965 118.700 -0.746 0.000 2.217 382 N HA -0.141 4.608 4.740 0.014 0.000 0.268 382 N C 0.938 176.304 175.510 -0.241 0.000 1.290 382 N CA 0.681 53.309 53.050 -0.702 0.000 0.831 382 N CB 0.734 38.684 38.487 -0.896 0.000 1.057 382 N HN 0.335 nan 8.380 nan 0.000 0.481 383 L N 1.240 122.372 121.223 -0.152 0.000 2.127 383 L HA -0.129 4.219 4.340 0.014 0.000 0.211 383 L C 1.061 178.015 176.870 0.139 0.000 1.089 383 L CA 1.081 55.917 54.840 -0.006 0.000 0.757 383 L CB -0.141 41.899 42.059 -0.032 0.000 0.899 383 L HN 0.618 nan 8.230 nan 0.000 0.434 384 A N -0.975 121.853 122.820 0.014 0.000 2.574 384 A HA 0.739 5.068 4.320 0.014 0.000 0.297 384 A C -1.184 176.381 177.584 -0.032 0.000 1.062 384 A CA -0.490 51.563 52.037 0.026 0.000 0.686 384 A CB 1.405 20.412 19.000 0.011 0.000 1.285 384 A HN -0.013 nan 8.150 nan 0.000 0.403 385 L N 0.976 122.197 121.223 -0.002 0.000 2.341 385 L HA 0.508 4.856 4.340 0.014 0.000 0.254 385 L C -0.127 176.757 176.870 0.024 0.000 1.040 385 L CA -1.239 53.608 54.840 0.012 0.000 0.837 385 L CB 2.272 44.347 42.059 0.025 0.000 1.425 385 L HN 0.987 nan 8.230 nan 0.000 0.414 386 N N -0.339 118.373 118.700 0.020 0.000 2.379 386 N HA 0.294 5.043 4.740 0.014 0.000 0.260 386 N C -2.381 173.117 175.510 -0.019 0.000 1.254 386 N CA -1.753 51.297 53.050 0.000 0.000 0.958 386 N CB -0.127 38.352 38.487 -0.014 0.000 1.208 386 N HN 0.161 nan 8.380 nan 0.000 0.532 387 P HA -0.123 nan 4.420 nan 0.000 0.223 387 P C 0.619 177.861 177.300 -0.097 0.000 1.144 387 P CA 1.221 64.297 63.100 -0.040 0.000 0.783 387 P CB 0.170 31.862 31.700 -0.013 0.000 0.771 388 E N -0.998 119.099 120.200 -0.172 0.000 2.442 388 E HA 0.066 4.425 4.350 0.014 0.000 0.195 388 E C 0.913 177.285 176.600 -0.381 0.000 1.030 388 E CA 0.535 56.734 56.400 -0.336 0.000 0.869 388 E CB -0.337 29.032 29.700 -0.552 0.000 0.857 388 E HN 0.145 nan 8.360 nan 0.000 0.505 389 G N 0.125 108.827 108.800 -0.163 0.000 2.130 389 G HA2 -0.194 3.775 3.960 0.014 0.000 0.216 389 G HA3 -0.194 3.775 3.960 0.014 0.000 0.216 389 G C 0.194 175.239 174.900 0.241 0.000 0.999 389 G CA 0.069 45.210 45.100 0.068 0.000 0.686 389 G HN 0.556 nan 8.290 nan 0.000 0.515 390 G N -0.678 108.145 108.800 0.037 0.000 3.247 390 G HA2 0.877 4.845 3.960 0.014 0.000 0.226 390 G HA3 0.877 4.845 3.960 0.014 0.000 0.226 390 G C -2.802 172.219 174.900 0.202 0.000 1.220 390 G CA -0.439 44.835 45.100 0.291 0.000 0.875 390 G HN 0.242 nan 8.290 nan 0.000 0.606 391 P HA 0.186 nan 4.420 nan 0.000 0.274 391 P C -1.075 176.319 177.300 0.158 0.000 1.246 391 P CA -0.149 63.074 63.100 0.205 0.000 0.795 391 P CB 1.251 33.031 31.700 0.134 0.000 1.006 392 N N 1.336 120.083 118.700 0.080 0.000 2.600 392 N HA 0.026 4.775 4.740 0.014 0.000 0.272 392 N C 0.690 176.061 175.510 -0.232 0.000 1.095 392 N CA -0.544 52.319 53.050 -0.310 0.000 0.993 392 N CB 0.821 38.835 38.487 -0.788 0.000 1.603 392 N HN 0.546 nan 8.380 nan 0.000 0.526 393 W N 3.453 124.597 121.300 -0.259 0.000 2.595 393 W HA 0.148 4.820 4.660 0.021 0.000 0.257 393 W C -0.171 176.234 176.519 -0.190 0.000 1.267 393 W CA 0.283 57.531 57.345 -0.162 0.000 1.300 393 W CB -0.388 29.008 29.460 -0.107 0.000 1.120 393 W HN 0.247 nan 8.180 nan 0.000 0.618 394 V N 2.254 121.601 119.914 -0.945 0.000 3.483 394 V HA 0.174 4.303 4.120 0.014 0.000 0.301 394 V C 1.136 176.806 176.094 -0.706 0.000 1.389 394 V CA -0.046 61.700 62.300 -0.922 0.000 1.101 394 V CB -0.708 30.356 31.823 -1.264 0.000 0.971 394 V HN 0.144 nan 8.190 nan 0.000 0.434 395 R N 0.329 120.339 120.500 -0.817 0.000 3.758 395 R HA -0.223 4.125 4.340 0.014 0.000 0.299 395 R C 0.548 176.085 176.300 -1.272 0.000 1.182 395 R CA 0.899 56.200 56.100 -1.332 0.000 0.809 395 R CB -2.167 27.678 30.300 -0.758 0.000 1.249 395 R HN 0.507 nan 8.270 nan 0.000 0.497 396 N N 1.248 119.380 118.700 -0.947 0.000 3.243 396 N HA 0.075 4.824 4.740 0.014 0.000 0.310 396 N C -0.484 174.810 175.510 -0.360 0.000 1.313 396 N CA 0.032 52.737 53.050 -0.574 0.000 1.204 396 N CB -0.103 38.076 38.487 -0.513 0.000 1.483 396 N HN 0.183 nan 8.380 nan 0.000 0.553 397 F N 0.037 119.944 119.950 -0.071 0.000 2.529 397 F HA 0.154 4.689 4.527 0.013 0.000 0.365 397 F C 1.268 177.185 175.800 0.196 0.000 1.102 397 F CA -0.534 57.517 58.000 0.085 0.000 1.271 397 F CB 0.465 39.492 39.000 0.046 0.000 1.120 397 F HN -0.023 nan 8.300 nan 0.000 0.579 398 V N -1.075 119.155 119.914 0.527 0.000 3.084 398 V HA 0.601 4.729 4.120 0.014 0.000 0.311 398 V C -1.158 175.080 176.094 0.241 0.000 1.311 398 V CA -0.883 61.628 62.300 0.351 0.000 1.062 398 V CB 1.806 33.872 31.823 0.406 0.000 1.113 398 V HN 0.554 nan 8.190 nan 0.000 0.468 399 D N -0.145 120.362 120.400 0.178 0.000 2.385 399 D HA 0.738 5.387 4.640 0.014 0.000 0.254 399 D C -0.771 175.581 176.300 0.088 0.000 1.053 399 D CA 0.116 54.175 54.000 0.099 0.000 0.992 399 D CB 2.103 42.938 40.800 0.057 0.000 1.145 399 D HN 0.913 nan 8.370 nan 0.000 0.523 400 S N -0.087 115.645 115.700 0.055 0.000 2.556 400 S HA 0.492 4.971 4.470 0.014 0.000 0.271 400 S C -2.327 172.327 174.600 0.089 0.000 1.135 400 S CA -1.286 56.957 58.200 0.071 0.000 0.858 400 S CB 1.735 64.954 63.200 0.032 0.000 1.114 400 S HN 0.150 nan 8.310 nan 0.000 0.468 401 P HA 0.215 nan 4.420 nan 0.000 0.226 401 P C -0.331 177.081 177.300 0.186 0.000 1.153 401 P CA 0.861 64.077 63.100 0.193 0.000 0.777 401 P CB 0.012 31.924 31.700 0.354 0.000 0.794 402 I N 0.124 120.797 120.570 0.172 0.000 2.436 402 I HA 0.259 4.438 4.170 0.014 0.000 0.289 402 I C -0.489 175.690 176.117 0.103 0.000 1.010 402 I CA -0.950 60.412 61.300 0.103 0.000 1.098 402 I CB 2.156 40.160 38.000 0.005 0.000 1.266 402 I HN -0.302 nan 8.210 nan 0.000 0.434 403 I N 7.106 127.762 120.570 0.143 0.000 2.362 403 I HA 0.328 4.507 4.170 0.014 0.000 0.289 403 I C -0.044 176.140 176.117 0.111 0.000 0.994 403 I CA -0.749 60.631 61.300 0.133 0.000 1.158 403 I CB 1.815 39.919 38.000 0.174 0.000 1.315 403 I HN 0.116 nan 8.210 nan 0.000 0.451 404 V N 5.661 125.607 119.914 0.053 0.000 2.383 404 V HA 0.223 4.352 4.120 0.014 0.000 0.275 404 V C 0.093 176.192 176.094 0.008 0.000 1.036 404 V CA -0.465 61.845 62.300 0.017 0.000 0.889 404 V CB 1.620 33.440 31.823 -0.005 0.000 0.985 404 V HN 0.588 nan 8.190 nan 0.000 0.459 405 D N 4.367 124.740 120.400 -0.044 0.000 2.493 405 D HA 0.209 4.857 4.640 0.014 0.000 0.235 405 D C 0.937 177.242 176.300 0.008 0.000 1.117 405 D CA -0.236 53.770 54.000 0.011 0.000 0.930 405 D CB 1.067 41.886 40.800 0.031 0.000 1.010 405 D HN 0.554 nan 8.370 nan 0.000 0.514 406 I N 2.524 123.105 120.570 0.018 0.000 2.286 406 I HA -0.240 3.939 4.170 0.014 0.000 0.248 406 I C 1.803 177.934 176.117 0.023 0.000 1.115 406 I CA 1.520 62.830 61.300 0.018 0.000 1.392 406 I CB 0.160 38.170 38.000 0.017 0.000 1.065 406 I HN 0.329 nan 8.210 nan 0.000 0.418 407 T N -2.268 112.304 114.554 0.030 0.000 3.072 407 T HA -0.069 4.289 4.350 0.014 0.000 0.266 407 T C 1.455 176.174 174.700 0.033 0.000 1.127 407 T CA 0.748 62.866 62.100 0.031 0.000 1.107 407 T CB -0.261 68.629 68.868 0.036 0.000 0.910 407 T HN 0.439 nan 8.240 nan 0.000 0.513 408 K N 0.633 121.053 120.400 0.033 0.000 2.387 408 K HA 0.150 4.478 4.320 0.014 0.000 0.203 408 K C 0.149 176.755 176.600 0.010 0.000 1.030 408 K CA 0.197 56.501 56.287 0.027 0.000 1.099 408 K CB 0.305 32.833 32.500 0.046 0.000 0.863 408 K HN 0.186 nan 8.250 nan 0.000 0.529 409 D N 2.611 123.019 120.400 0.013 0.000 2.692 409 D HA -0.158 4.491 4.640 0.014 0.000 0.233 409 D C -0.650 175.655 176.300 0.009 0.000 1.172 409 D CA 1.300 55.313 54.000 0.020 0.000 0.636 409 D CB -0.739 40.076 40.800 0.026 0.000 1.028 409 D HN 0.450 nan 8.370 nan 0.000 0.419 410 T N -1.784 112.743 114.554 -0.044 0.000 2.916 410 T HA 0.765 5.123 4.350 0.014 0.000 0.292 410 T C -0.266 174.305 174.700 -0.215 0.000 1.064 410 T CA -0.858 61.144 62.100 -0.164 0.000 1.011 410 T CB 1.732 70.451 68.868 -0.248 0.000 1.152 410 T HN 0.427 nan 8.240 nan 0.000 0.510 411 F N -0.758 118.919 119.950 -0.454 0.000 2.613 411 F HA 0.772 5.308 4.527 0.015 0.000 0.310 411 F C -2.094 173.407 175.800 -0.499 0.000 1.085 411 F CA -1.783 55.915 58.000 -0.502 0.000 0.945 411 F CB 1.231 40.078 39.000 -0.254 0.000 1.298 411 F HN 0.629 nan 8.300 nan 0.000 0.455 412 Y N 1.432 121.792 120.300 0.100 0.000 2.335 412 Y HA 0.517 5.075 4.550 0.015 0.000 0.338 412 Y C -0.399 175.518 175.900 0.027 0.000 0.977 412 Y CA -1.057 57.052 58.100 0.015 0.000 1.114 412 Y CB 1.949 40.429 38.460 0.034 0.000 1.182 412 Y HN 0.457 nan 8.280 nan 0.000 0.463 413 K N 4.060 124.522 120.400 0.103 0.000 2.248 413 K HA 0.241 4.570 4.320 0.014 0.000 0.281 413 K C -0.342 176.399 176.600 0.235 0.000 1.054 413 K CA -0.535 55.737 56.287 -0.025 0.000 0.903 413 K CB 0.817 33.068 32.500 -0.415 0.000 1.077 413 K HN 0.579 nan 8.250 nan 0.000 0.474 414 Q N 2.727 122.666 119.800 0.231 0.000 2.212 414 Q HA 0.131 4.479 4.340 0.014 0.000 0.238 414 Q C -1.742 174.498 176.000 0.400 0.000 0.955 414 Q CA -2.049 53.915 55.803 0.268 0.000 0.906 414 Q CB 0.648 29.471 28.738 0.141 0.000 1.215 414 Q HN 0.270 nan 8.270 nan 0.000 0.478 415 P HA -0.203 nan 4.420 nan 0.000 0.217 415 P C 1.175 178.662 177.300 0.312 0.000 1.151 415 P CA 1.734 65.084 63.100 0.417 0.000 0.849 415 P CB 0.093 31.939 31.700 0.244 0.000 0.787 416 M N -2.934 116.700 119.600 0.057 0.000 2.144 416 M HA -0.191 4.298 4.480 0.014 0.000 0.260 416 M C 2.006 178.405 176.300 0.165 0.000 1.067 416 M CA 1.758 57.005 55.300 -0.090 0.000 1.095 416 M CB -0.894 31.408 32.600 -0.496 0.000 1.365 416 M HN -0.068 nan 8.290 nan 0.000 0.406 417 F N 0.407 120.382 119.950 0.042 0.000 2.069 417 F HA -0.277 4.258 4.527 0.014 0.000 0.298 417 F C 1.930 177.657 175.800 -0.121 0.000 1.113 417 F CA 1.745 59.692 58.000 -0.089 0.000 1.214 417 F CB -0.481 38.308 39.000 -0.351 0.000 0.978 417 F HN -0.003 nan 8.300 nan 0.000 0.474 418 Y N -0.618 119.899 120.300 0.361 0.000 2.242 418 Y HA -0.206 4.353 4.550 0.015 0.000 0.291 418 Y C 2.810 178.864 175.900 0.256 0.000 1.137 418 Y CA 1.810 60.072 58.100 0.270 0.000 1.181 418 Y CB -1.100 37.590 38.460 0.384 0.000 0.989 418 Y HN 0.183 nan 8.280 nan 0.000 0.527 419 H N -0.473 118.775 119.070 0.296 0.000 2.387 419 H HA -0.158 4.407 4.556 0.014 0.000 0.299 419 H C 2.325 177.826 175.328 0.287 0.000 1.090 419 H CA 1.692 57.882 56.048 0.236 0.000 1.332 419 H CB -0.252 29.550 29.762 0.066 0.000 1.386 419 H HN 0.345 nan 8.280 nan 0.000 0.516 420 L N -0.114 121.281 121.223 0.287 0.000 2.056 420 L HA -0.077 4.271 4.340 0.014 0.000 0.207 420 L C 2.739 179.632 176.870 0.038 0.000 1.078 420 L CA 1.105 56.048 54.840 0.172 0.000 0.749 420 L CB -0.451 41.735 42.059 0.212 0.000 0.901 420 L HN 0.270 nan 8.230 nan 0.000 0.433 421 G N -2.032 106.686 108.800 -0.137 0.000 2.448 421 G HA2 -0.251 3.718 3.960 0.014 0.000 0.219 421 G HA3 -0.251 3.718 3.960 0.014 0.000 0.219 421 G C 1.313 176.073 174.900 -0.234 0.000 1.127 421 G CA 0.272 45.197 45.100 -0.292 0.000 0.766 421 G HN 0.440 nan 8.290 nan 0.000 0.552 422 H N -0.442 118.582 119.070 -0.076 0.000 2.457 422 H HA -0.065 4.499 4.556 0.014 0.000 0.297 422 H C 2.016 177.134 175.328 -0.349 0.000 1.092 422 H CA 1.359 57.329 56.048 -0.130 0.000 1.309 422 H CB 0.028 29.613 29.762 -0.296 0.000 1.382 422 H HN 0.494 nan 8.280 nan 0.000 0.535 423 F N 0.124 119.989 119.950 -0.141 0.000 2.222 423 F HA -0.071 4.464 4.527 0.014 0.000 0.285 423 F C 2.900 178.314 175.800 -0.643 0.000 1.068 423 F CA 0.735 58.474 58.000 -0.436 0.000 1.265 423 F CB -0.729 37.793 39.000 -0.797 0.000 1.087 423 F HN 0.021 nan 8.300 nan 0.000 0.511 424 S N 0.420 115.794 115.700 -0.543 0.000 2.382 424 S HA -0.236 4.243 4.470 0.014 0.000 0.228 424 S C 1.989 176.410 174.600 -0.297 0.000 1.027 424 S CA 1.363 59.340 58.200 -0.373 0.000 0.991 424 S CB -0.645 62.527 63.200 -0.046 0.000 0.823 424 S HN 0.370 nan 8.310 nan 0.000 0.469 425 K N 0.156 120.219 120.400 -0.561 0.000 2.148 425 K HA 0.070 4.399 4.320 0.014 0.000 0.204 425 K C 0.930 176.991 176.600 -0.898 0.000 1.050 425 K CA 1.212 56.943 56.287 -0.926 0.000 0.942 425 K CB -0.135 31.369 32.500 -1.660 0.000 0.724 425 K HN 0.561 nan 8.250 nan 0.000 0.446 426 F N -0.302 119.516 119.950 -0.220 0.000 2.706 426 F HA 0.284 4.820 4.527 0.015 0.000 0.308 426 F C 0.358 176.140 175.800 -0.031 0.000 1.095 426 F CA -0.398 57.514 58.000 -0.147 0.000 1.244 426 F CB 0.883 39.758 39.000 -0.208 0.000 1.063 426 F HN -0.186 nan 8.300 nan 0.000 0.582 427 I N 2.870 123.493 120.570 0.089 0.000 2.668 427 I HA 0.251 4.430 4.170 0.014 0.000 0.276 427 I C -2.515 173.679 176.117 0.129 0.000 1.139 427 I CA -1.998 59.388 61.300 0.143 0.000 1.133 427 I CB 0.530 38.688 38.000 0.263 0.000 1.327 427 I HN -0.262 nan 8.210 nan 0.000 0.520 428 P HA 0.028 nan 4.420 nan 0.000 0.272 428 P C -0.025 177.248 177.300 -0.046 0.000 1.230 428 P CA -0.186 62.884 63.100 -0.050 0.000 0.788 428 P CB 0.721 32.317 31.700 -0.174 0.000 0.949 429 E N 0.371 120.544 120.200 -0.044 0.000 2.568 429 E HA 0.085 4.444 4.350 0.014 0.000 0.262 429 E C 1.124 177.678 176.600 -0.077 0.000 0.961 429 E CA 1.203 57.560 56.400 -0.071 0.000 0.945 429 E CB -0.619 29.023 29.700 -0.097 0.000 0.924 429 E HN 0.779 nan 8.360 nan 0.000 0.467 430 G N 2.934 111.700 108.800 -0.057 0.000 2.241 430 G HA2 -0.287 3.681 3.960 0.014 0.000 0.244 430 G HA3 -0.287 3.681 3.960 0.014 0.000 0.244 430 G C 0.299 175.174 174.900 -0.042 0.000 0.998 430 G CA 0.180 45.253 45.100 -0.045 0.000 0.621 430 G HN 0.618 nan 8.290 nan 0.000 0.519 431 S N 0.066 115.734 115.700 -0.054 0.000 2.569 431 S HA 0.456 4.934 4.470 0.014 0.000 0.274 431 S C 0.182 174.795 174.600 0.020 0.000 1.353 431 S CA 0.767 58.949 58.200 -0.029 0.000 1.023 431 S CB 1.497 64.696 63.200 -0.002 0.000 0.876 431 S HN 0.778 nan 8.310 nan 0.000 0.540 432 Q N 1.033 120.855 119.800 0.036 0.000 2.323 432 Q HA 0.348 4.697 4.340 0.014 0.000 0.271 432 Q C -0.778 175.273 176.000 0.086 0.000 1.048 432 Q CA -0.766 55.073 55.803 0.061 0.000 0.792 432 Q CB 1.192 29.958 28.738 0.047 0.000 1.280 432 Q HN 0.568 nan 8.270 nan 0.000 0.441 433 R N 2.347 122.921 120.500 0.124 0.000 2.537 433 R HA 0.268 4.616 4.340 0.014 0.000 0.280 433 R C -0.342 176.107 176.300 0.248 0.000 1.058 433 R CA 0.257 56.449 56.100 0.154 0.000 1.057 433 R CB 0.525 30.900 30.300 0.125 0.000 0.973 433 R HN 0.547 nan 8.270 nan 0.000 0.438 434 V N 0.776 120.816 119.914 0.211 0.000 3.158 434 V HA 0.740 4.869 4.120 0.014 0.000 0.315 434 V C 0.396 176.675 176.094 0.308 0.000 1.148 434 V CA -0.788 61.655 62.300 0.240 0.000 1.042 434 V CB 1.376 33.257 31.823 0.097 0.000 1.101 434 V HN 0.814 nan 8.190 nan 0.000 0.448 435 G N 0.260 109.246 108.800 0.310 0.000 2.554 435 G HA2 0.500 4.468 3.960 0.014 0.000 0.238 435 G HA3 0.500 4.468 3.960 0.014 0.000 0.238 435 G C -1.066 173.905 174.900 0.119 0.000 1.259 435 G CA -0.024 45.241 45.100 0.275 0.000 0.843 435 G HN 1.199 nan 8.290 nan 0.000 0.582 436 L N 2.006 123.268 121.223 0.065 0.000 2.562 436 L HA 0.583 4.932 4.340 0.014 0.000 0.266 436 L C -0.335 176.545 176.870 0.018 0.000 0.949 436 L CA -0.765 54.096 54.840 0.036 0.000 0.879 436 L CB 2.169 44.244 42.059 0.026 0.000 1.278 436 L HN 0.732 nan 8.230 nan 0.000 0.404 437 V N 1.890 121.817 119.914 0.021 0.000 2.914 437 V HA 1.054 5.183 4.120 0.014 0.000 0.314 437 V C -0.238 175.864 176.094 0.013 0.000 1.084 437 V CA -0.258 62.052 62.300 0.017 0.000 0.963 437 V CB 1.572 33.411 31.823 0.027 0.000 1.025 437 V HN 1.059 nan 8.190 nan 0.000 0.432 438 A N 2.406 125.234 122.820 0.014 0.000 2.324 438 A HA 0.704 5.033 4.320 0.014 0.000 0.330 438 A C 1.025 178.620 177.584 0.018 0.000 1.165 438 A CA -0.014 52.031 52.037 0.012 0.000 0.813 438 A CB 1.550 20.558 19.000 0.013 0.000 1.197 438 A HN 1.850 nan 8.150 nan 0.000 0.484 439 S N 0.857 116.569 115.700 0.020 0.000 2.515 439 S HA 0.066 4.545 4.470 0.014 0.000 0.231 439 S C 0.549 175.164 174.600 0.025 0.000 0.987 439 S CA 0.880 59.096 58.200 0.028 0.000 0.936 439 S CB -0.449 62.774 63.200 0.037 0.000 0.766 439 S HN 0.977 nan 8.310 nan 0.000 0.528 440 Q N -1.159 118.654 119.800 0.021 0.000 2.687 440 Q HA 0.415 4.763 4.340 0.014 0.000 0.295 440 Q C -1.734 174.277 176.000 0.019 0.000 0.920 440 Q CA -1.185 54.630 55.803 0.020 0.000 0.766 440 Q CB 0.743 29.492 28.738 0.019 0.000 1.467 440 Q HN -0.117 nan 8.270 nan 0.000 0.415 441 K N 1.390 121.802 120.400 0.020 0.000 2.485 441 K HA 0.283 4.612 4.320 0.014 0.000 0.277 441 K C -0.448 176.164 176.600 0.019 0.000 0.990 441 K CA 0.795 57.095 56.287 0.022 0.000 0.994 441 K CB -0.608 31.905 32.500 0.022 0.000 0.906 441 K HN 0.883 nan 8.250 nan 0.000 0.488 442 N N -1.228 117.485 118.700 0.022 0.000 3.020 442 N HA 0.279 5.028 4.740 0.014 0.000 0.248 442 N C -1.076 174.450 175.510 0.026 0.000 1.480 442 N CA -0.839 52.222 53.050 0.019 0.000 0.874 442 N CB 1.152 39.648 38.487 0.015 0.000 1.433 442 N HN 0.264 nan 8.380 nan 0.000 0.530 443 D N -0.221 120.192 120.400 0.022 0.000 2.368 443 D HA 0.252 4.900 4.640 0.014 0.000 0.218 443 D C -0.181 176.146 176.300 0.044 0.000 1.112 443 D CA 0.076 54.094 54.000 0.030 0.000 0.834 443 D CB 0.213 41.021 40.800 0.014 0.000 0.953 443 D HN 0.362 nan 8.370 nan 0.000 0.505 444 L N 0.673 121.922 121.223 0.044 0.000 2.421 444 L HA 0.288 4.637 4.340 0.014 0.000 0.263 444 L C 0.379 177.300 176.870 0.086 0.000 1.122 444 L CA -0.407 54.466 54.840 0.055 0.000 0.804 444 L CB 1.072 43.151 42.059 0.034 0.000 1.150 444 L HN -0.257 nan 8.230 nan 0.000 0.457 445 D N 1.387 121.856 120.400 0.116 0.000 2.256 445 D HA 0.666 5.315 4.640 0.014 0.000 0.246 445 D C -0.709 175.657 176.300 0.110 0.000 1.042 445 D CA -0.080 53.999 54.000 0.132 0.000 0.841 445 D CB 2.367 43.286 40.800 0.198 0.000 1.223 445 D HN 0.588 nan 8.370 nan 0.000 0.470 446 A N 1.241 124.112 122.820 0.086 0.000 2.587 446 A HA 0.701 5.029 4.320 0.014 0.000 0.293 446 A C -1.534 176.091 177.584 0.067 0.000 1.087 446 A CA -0.729 51.358 52.037 0.084 0.000 0.692 446 A CB 2.134 21.171 19.000 0.062 0.000 1.291 446 A HN 0.346 nan 8.150 nan 0.000 0.407 447 V N 0.028 119.993 119.914 0.085 0.000 2.932 447 V HA 0.835 4.963 4.120 0.014 0.000 0.307 447 V C -0.770 175.368 176.094 0.072 0.000 1.147 447 V CA 0.194 62.532 62.300 0.063 0.000 0.951 447 V CB 1.925 33.801 31.823 0.089 0.000 1.031 447 V HN 2.180 nan 8.190 nan 0.000 0.426 448 A N 6.226 129.077 122.820 0.051 0.000 2.331 448 A HA 0.966 5.295 4.320 0.014 0.000 0.320 448 A C -1.478 176.133 177.584 0.045 0.000 1.138 448 A CA -0.497 51.569 52.037 0.047 0.000 0.790 448 A CB 1.319 20.351 19.000 0.052 0.000 1.206 448 A HN 0.891 nan 8.150 nan 0.000 0.470 449 L N 1.340 122.575 121.223 0.021 0.000 2.327 449 L HA 0.648 4.996 4.340 0.014 0.000 0.258 449 L C -0.116 176.740 176.870 -0.024 0.000 1.024 449 L CA -0.228 54.630 54.840 0.030 0.000 0.825 449 L CB 1.933 44.033 42.059 0.068 0.000 1.386 449 L HN 0.712 nan 8.230 nan 0.000 0.417 450 M N 1.082 120.681 119.600 -0.001 0.000 2.205 450 M HA 0.337 4.825 4.480 0.014 0.000 0.344 450 M C -0.561 175.763 176.300 0.040 0.000 1.085 450 M CA -0.634 54.658 55.300 -0.014 0.000 1.001 450 M CB 1.300 33.892 32.600 -0.013 0.000 1.626 450 M HN 0.529 nan 8.290 nan 0.000 0.442 451 H N 4.743 123.775 119.070 -0.063 0.000 2.790 451 H HA 0.109 4.674 4.556 0.014 0.000 0.358 451 H C -1.901 173.422 175.328 -0.008 0.000 1.103 451 H CA -0.681 55.350 56.048 -0.028 0.000 1.426 451 H CB 1.257 30.988 29.762 -0.050 0.000 1.424 451 H HN 0.406 nan 8.280 nan 0.000 0.599 452 P HA -0.185 nan 4.420 nan 0.000 0.217 452 P C 0.688 178.074 177.300 0.143 0.000 1.148 452 P CA 1.782 64.900 63.100 0.030 0.000 0.834 452 P CB 0.048 31.721 31.700 -0.045 0.000 0.783 453 D N -1.889 118.706 120.400 0.324 0.000 2.352 453 D HA 0.063 4.712 4.640 0.014 0.000 0.232 453 D C 1.425 177.802 176.300 0.130 0.000 1.055 453 D CA 0.661 54.782 54.000 0.202 0.000 0.891 453 D CB -1.080 39.834 40.800 0.189 0.000 0.897 453 D HN 0.260 nan 8.370 nan 0.000 0.529 454 G N -0.055 108.813 108.800 0.112 0.000 2.176 454 G HA2 -0.307 3.661 3.960 0.014 0.000 0.253 454 G HA3 -0.307 3.661 3.960 0.014 0.000 0.253 454 G C 0.464 175.362 174.900 -0.004 0.000 0.979 454 G CA 0.434 45.564 45.100 0.049 0.000 0.641 454 G HN 0.838 nan 8.290 nan 0.000 0.530 455 S N 0.089 115.769 115.700 -0.033 0.000 2.584 455 S HA 0.723 5.202 4.470 0.014 0.000 0.270 455 S C 0.531 174.950 174.600 -0.301 0.000 1.346 455 S CA 0.455 58.523 58.200 -0.219 0.000 1.018 455 S CB 1.956 64.891 63.200 -0.443 0.000 0.899 455 S HN 1.892 nan 8.310 nan 0.000 0.542 456 A N 1.173 123.623 122.820 -0.617 0.000 2.295 456 A HA 0.740 5.069 4.320 0.014 0.000 0.318 456 A C -0.632 176.555 177.584 -0.663 0.000 1.134 456 A CA -0.824 50.737 52.037 -0.794 0.000 0.827 456 A CB 0.905 19.009 19.000 -1.492 0.000 1.136 456 A HN 0.947 nan 8.150 nan 0.000 0.493 457 V N 2.109 121.778 119.914 -0.409 0.000 2.612 457 V HA 0.458 4.587 4.120 0.014 0.000 0.301 457 V C -1.014 175.035 176.094 -0.076 0.000 1.059 457 V CA -0.324 61.870 62.300 -0.178 0.000 0.886 457 V CB 1.876 33.682 31.823 -0.029 0.000 1.007 457 V HN 0.719 nan 8.190 nan 0.000 0.426 458 V N 5.921 125.873 119.914 0.063 0.000 2.531 458 V HA 0.526 4.655 4.120 0.014 0.000 0.301 458 V C -0.423 175.778 176.094 0.178 0.000 1.034 458 V CA -0.666 61.725 62.300 0.152 0.000 0.865 458 V CB 2.227 34.202 31.823 0.253 0.000 0.995 458 V HN 0.569 nan 8.190 nan 0.000 0.424 459 V N 5.660 125.632 119.914 0.097 0.000 2.394 459 V HA 0.533 4.661 4.120 0.014 0.000 0.282 459 V C -0.244 175.907 176.094 0.094 0.000 1.031 459 V CA -0.520 61.792 62.300 0.019 0.000 0.881 459 V CB 1.765 33.439 31.823 -0.248 0.000 0.982 459 V HN 0.604 nan 8.190 nan 0.000 0.451 460 V N 6.289 126.277 119.914 0.123 0.000 2.444 460 V HA 0.493 4.622 4.120 0.014 0.000 0.294 460 V C -0.545 175.579 176.094 0.050 0.000 1.022 460 V CA -0.574 61.794 62.300 0.113 0.000 0.850 460 V CB 1.682 33.602 31.823 0.161 0.000 0.992 460 V HN 0.678 nan 8.190 nan 0.000 0.426 461 L N 4.630 125.901 121.223 0.081 0.000 2.313 461 L HA 0.658 5.006 4.340 0.014 0.000 0.283 461 L C -0.330 176.603 176.870 0.104 0.000 1.013 461 L CA 0.006 54.912 54.840 0.109 0.000 0.816 461 L CB 1.657 43.832 42.059 0.193 0.000 1.236 461 L HN 0.622 nan 8.230 nan 0.000 0.419 462 N N 4.161 122.921 118.700 0.100 0.000 2.501 462 N HA 0.313 5.061 4.740 0.014 0.000 0.245 462 N C 0.412 176.009 175.510 0.145 0.000 0.974 462 N CA -0.106 52.986 53.050 0.071 0.000 0.941 462 N CB 1.001 39.486 38.487 -0.004 0.000 1.122 462 N HN 0.709 nan 8.380 nan 0.000 0.507 463 R N 0.699 121.279 120.500 0.135 0.000 2.246 463 R HA 0.037 4.385 4.340 0.014 0.000 0.199 463 R C 0.780 177.187 176.300 0.178 0.000 0.984 463 R CA 0.141 56.362 56.100 0.201 0.000 1.015 463 R CB 0.162 30.535 30.300 0.122 0.000 0.930 463 R HN 0.617 nan 8.270 nan 0.000 0.475 464 S N -0.423 115.278 115.700 0.001 0.000 2.624 464 S HA 0.026 4.505 4.470 0.014 0.000 0.263 464 S C 1.120 175.393 174.600 -0.544 0.000 1.287 464 S CA -0.214 57.908 58.200 -0.131 0.000 0.990 464 S CB 1.684 64.835 63.200 -0.082 0.000 0.950 464 S HN 0.166 nan 8.310 nan 0.000 0.561 465 S N -0.708 114.684 115.700 -0.513 0.000 2.575 465 S HA 0.278 4.756 4.470 0.014 0.000 0.215 465 S C 0.633 175.030 174.600 -0.339 0.000 0.966 465 S CA 0.101 57.868 58.200 -0.721 0.000 0.911 465 S CB -0.892 62.120 63.200 -0.313 0.000 0.780 465 S HN 1.147 nan 8.310 nan 0.000 0.514 466 K N 1.573 121.842 120.400 -0.218 0.000 2.130 466 K HA 0.482 4.810 4.320 0.014 0.000 0.268 466 K C -0.751 175.782 176.600 -0.112 0.000 0.983 466 K CA -0.693 55.519 56.287 -0.125 0.000 0.893 466 K CB -0.085 32.369 32.500 -0.076 0.000 1.066 466 K HN 0.339 nan 8.250 nan 0.000 0.450 467 D N 1.187 121.542 120.400 -0.076 0.000 2.390 467 D HA 0.262 4.910 4.640 0.014 0.000 0.249 467 D C -0.550 175.729 176.300 -0.035 0.000 1.144 467 D CA -0.082 53.888 54.000 -0.050 0.000 0.880 467 D CB 1.391 42.176 40.800 -0.026 0.000 1.182 467 D HN 0.175 nan 8.370 nan 0.000 0.451 468 V N 5.239 125.135 119.914 -0.030 0.000 2.349 468 V HA 0.249 4.378 4.120 0.014 0.000 0.284 468 V C -2.127 173.963 176.094 -0.007 0.000 1.014 468 V CA -1.602 60.686 62.300 -0.020 0.000 0.826 468 V CB 1.723 33.532 31.823 -0.023 0.000 1.009 468 V HN 0.422 nan 8.190 nan 0.000 0.431 469 P HA 0.364 nan 4.420 nan 0.000 0.271 469 P C -0.864 176.431 177.300 -0.007 0.000 1.216 469 P CA 0.023 63.127 63.100 0.007 0.000 0.776 469 P CB 1.309 33.017 31.700 0.012 0.000 0.881 470 L N -0.428 120.780 121.223 -0.025 0.000 2.600 470 L HA 0.776 5.124 4.340 0.014 0.000 0.257 470 L C -1.121 175.679 176.870 -0.117 0.000 1.048 470 L CA -0.780 54.024 54.840 -0.060 0.000 0.869 470 L CB 1.865 43.883 42.059 -0.067 0.000 1.482 470 L HN 0.112 nan 8.230 nan 0.000 0.408 471 T N 1.270 115.723 114.554 -0.169 0.000 2.863 471 T HA 0.706 5.065 4.350 0.014 0.000 0.285 471 T C -0.440 174.113 174.700 -0.246 0.000 1.009 471 T CA -0.299 61.650 62.100 -0.253 0.000 0.989 471 T CB 1.782 70.374 68.868 -0.460 0.000 1.004 471 T HN 0.488 nan 8.240 nan 0.000 0.455 472 I N 2.286 122.670 120.570 -0.310 0.000 2.378 472 I HA 0.425 4.603 4.170 0.014 0.000 0.291 472 I C 0.042 175.973 176.117 -0.310 0.000 0.992 472 I CA -0.820 60.297 61.300 -0.304 0.000 1.154 472 I CB 1.724 39.459 38.000 -0.442 0.000 1.315 472 I HN 0.368 nan 8.210 nan 0.000 0.448 473 K N 5.237 125.487 120.400 -0.251 0.000 2.240 473 K HA 0.241 4.569 4.320 0.014 0.000 0.271 473 K C -1.046 175.382 176.600 -0.286 0.000 1.018 473 K CA -0.519 55.507 56.287 -0.435 0.000 0.874 473 K CB 1.078 33.367 32.500 -0.351 0.000 1.098 473 K HN 0.443 nan 8.250 nan 0.000 0.458 474 D N 6.443 126.656 120.400 -0.311 0.000 2.412 474 D HA 0.183 4.832 4.640 0.014 0.000 0.224 474 D C -1.615 174.594 176.300 -0.151 0.000 1.093 474 D CA -2.478 51.482 54.000 -0.066 0.000 0.850 474 D CB 1.751 42.650 40.800 0.165 0.000 1.046 474 D HN 0.357 nan 8.370 nan 0.000 0.507 475 P HA -0.102 nan 4.420 nan 0.000 0.225 475 P C 0.882 178.151 177.300 -0.051 0.000 1.148 475 P CA 0.575 63.616 63.100 -0.098 0.000 0.779 475 P CB 0.359 32.034 31.700 -0.042 0.000 0.780 476 A N -0.472 122.342 122.820 -0.010 0.000 1.930 476 A HA 0.018 4.347 4.320 0.014 0.000 0.215 476 A C 2.162 179.756 177.584 0.017 0.000 1.176 476 A CA 1.580 53.629 52.037 0.019 0.000 0.632 476 A CB -0.774 18.259 19.000 0.055 0.000 0.819 476 A HN 0.126 nan 8.150 nan 0.000 0.445 477 V N -2.775 117.140 119.914 0.002 0.000 3.090 477 V HA 0.536 4.665 4.120 0.014 0.000 0.237 477 V C 1.163 177.221 176.094 -0.060 0.000 1.209 477 V CA 0.672 62.983 62.300 0.018 0.000 1.209 477 V CB -0.253 31.639 31.823 0.115 0.000 0.971 477 V HN 1.003 nan 8.190 nan 0.000 0.477 478 G N -0.048 108.632 108.800 -0.201 0.000 2.302 478 G HA2 0.215 4.183 3.960 0.014 0.000 0.264 478 G HA3 0.215 4.183 3.960 0.014 0.000 0.264 478 G C -1.888 172.708 174.900 -0.507 0.000 1.335 478 G CA -0.685 44.267 45.100 -0.247 0.000 0.982 478 G HN 0.024 nan 8.290 nan 0.000 0.473 479 F N -0.311 119.538 119.950 -0.169 0.000 2.540 479 F HA 0.752 5.287 4.527 0.014 0.000 0.317 479 F C -0.213 175.414 175.800 -0.288 0.000 1.104 479 F CA -0.748 57.112 58.000 -0.233 0.000 0.913 479 F CB 2.233 41.148 39.000 -0.142 0.000 1.170 479 F HN 0.290 nan 8.300 nan 0.000 0.450 480 L N 3.755 124.808 121.223 -0.283 0.000 2.298 480 L HA 0.410 4.759 4.340 0.014 0.000 0.284 480 L C -0.312 176.377 176.870 -0.302 0.000 1.013 480 L CA -0.523 54.047 54.840 -0.451 0.000 0.824 480 L CB 1.047 42.485 42.059 -1.035 0.000 1.221 480 L HN 0.423 nan 8.230 nan 0.000 0.418 481 E N 2.019 122.155 120.200 -0.107 0.000 2.200 481 E HA 0.560 4.919 4.350 0.014 0.000 0.283 481 E C -0.159 176.427 176.600 -0.022 0.000 1.015 481 E CA -0.083 56.282 56.400 -0.059 0.000 0.819 481 E CB 2.165 31.880 29.700 0.025 0.000 1.081 481 E HN 0.550 nan 8.360 nan 0.000 0.397 482 T N 1.554 116.081 114.554 -0.045 0.000 2.647 482 T HA 0.652 5.011 4.350 0.014 0.000 0.295 482 T C -1.700 173.043 174.700 0.072 0.000 1.126 482 T CA -0.597 61.535 62.100 0.053 0.000 1.040 482 T CB 1.163 70.048 68.868 0.029 0.000 1.472 482 T HN 0.347 nan 8.240 nan 0.000 0.500 483 I N 1.190 121.850 120.570 0.151 0.000 2.656 483 I HA 0.692 4.871 4.170 0.014 0.000 0.292 483 I C -0.988 175.221 176.117 0.153 0.000 1.144 483 I CA -0.140 61.227 61.300 0.112 0.000 1.038 483 I CB 2.294 40.351 38.000 0.095 0.000 1.244 483 I HN 0.454 nan 8.210 nan 0.000 0.420 484 S N 8.458 124.178 115.700 0.033 0.000 2.434 484 S HA 0.631 5.109 4.470 0.014 0.000 0.318 484 S C -2.550 172.002 174.600 -0.079 0.000 1.062 484 S CA -1.490 56.647 58.200 -0.104 0.000 1.116 484 S CB 0.263 63.400 63.200 -0.105 0.000 0.977 484 S HN 0.436 nan 8.310 nan 0.000 0.480 485 P HA 0.166 nan 4.420 nan 0.000 0.269 485 P C 0.365 177.623 177.300 -0.069 0.000 1.215 485 P CA -0.057 63.025 63.100 -0.030 0.000 0.780 485 P CB 0.292 32.006 31.700 0.023 0.000 0.898 486 G N 1.710 110.440 108.800 -0.116 0.000 2.391 486 G HA2 -0.004 3.964 3.960 0.014 0.000 0.234 486 G HA3 -0.004 3.964 3.960 0.014 0.000 0.234 486 G C -0.601 174.203 174.900 -0.160 0.000 1.284 486 G CA -0.160 44.779 45.100 -0.268 0.000 0.873 486 G HN 0.620 nan 8.290 nan 0.000 0.549 487 Y N -0.336 120.038 120.300 0.124 0.000 3.125 487 Y HA -0.248 4.311 4.550 0.014 0.000 0.200 487 Y C 1.161 177.203 175.900 0.238 0.000 1.373 487 Y CA 0.382 58.640 58.100 0.263 0.000 1.180 487 Y CB -1.967 36.533 38.460 0.068 0.000 1.381 487 Y HN 0.924 nan 8.280 nan 0.000 0.501 488 S N -0.079 115.829 115.700 0.346 0.000 2.599 488 S HA 0.883 5.362 4.470 0.014 0.000 0.287 488 S C -0.773 173.962 174.600 0.225 0.000 1.105 488 S CA -0.953 57.411 58.200 0.272 0.000 0.899 488 S CB 3.225 66.443 63.200 0.030 0.000 1.100 488 S HN 0.426 nan 8.310 nan 0.000 0.482 489 I N 1.095 121.743 120.570 0.130 0.000 2.545 489 I HA 0.560 4.739 4.170 0.014 0.000 0.292 489 I C -1.353 174.699 176.117 -0.107 0.000 1.040 489 I CA -0.661 60.547 61.300 -0.153 0.000 1.068 489 I CB 1.704 39.426 38.000 -0.463 0.000 1.251 489 I HN 0.901 nan 8.210 nan 0.000 0.424 490 H N 4.054 123.004 119.070 -0.200 0.000 2.637 490 H HA 0.442 5.007 4.556 0.014 0.000 0.363 490 H C -1.107 174.154 175.328 -0.111 0.000 1.131 490 H CA -0.977 54.990 56.048 -0.135 0.000 1.183 490 H CB 2.330 32.030 29.762 -0.104 0.000 1.637 490 H HN 0.411 nan 8.280 nan 0.000 0.531 491 T N 2.884 117.453 114.554 0.026 0.000 2.792 491 T HA 0.265 4.624 4.350 0.014 0.000 0.280 491 T C -1.011 173.519 174.700 -0.283 0.000 0.990 491 T CA -0.630 61.410 62.100 -0.098 0.000 0.960 491 T CB 0.451 69.174 68.868 -0.241 0.000 0.939 491 T HN 0.294 nan 8.240 nan 0.000 0.439 492 Y N 2.504 122.834 120.300 0.050 0.000 2.360 492 Y HA 0.669 5.227 4.550 0.014 0.000 0.337 492 Y C -0.017 175.974 175.900 0.152 0.000 1.039 492 Y CA -1.160 57.037 58.100 0.161 0.000 1.109 492 Y CB 1.183 39.780 38.460 0.228 0.000 1.201 492 Y HN 0.387 nan 8.280 nan 0.000 0.458 493 L N 3.518 124.943 121.223 0.337 0.000 2.408 493 L HA 0.621 4.970 4.340 0.014 0.000 0.268 493 L C -1.368 175.724 176.870 0.369 0.000 0.986 493 L CA -0.813 54.110 54.840 0.138 0.000 0.820 493 L CB 1.784 43.834 42.059 -0.014 0.000 1.303 493 L HN 0.804 nan 8.230 nan 0.000 0.411 494 W N 0.793 122.074 121.300 -0.033 0.000 3.296 494 W HA 0.514 5.182 4.660 0.015 0.000 0.314 494 W C -1.244 175.189 176.519 -0.143 0.000 1.238 494 W CA -0.752 56.577 57.345 -0.027 0.000 1.193 494 W CB 0.517 30.032 29.460 0.092 0.000 1.383 494 W HN 0.292 nan 8.180 nan 0.000 0.545 495 H N 3.085 122.265 119.070 0.183 0.000 2.582 495 H HA 0.452 5.017 4.556 0.014 0.000 0.345 495 H C 0.257 175.684 175.328 0.164 0.000 1.104 495 H CA -0.025 56.069 56.048 0.077 0.000 1.390 495 H CB 1.212 31.016 29.762 0.070 0.000 1.461 495 H HN 0.408 nan 8.280 nan 0.000 0.551 496 R N 0.000 120.620 120.500 0.200 0.000 2.786 496 R HA 0.000 4.349 4.340 0.014 0.000 0.208 496 R CA 0.000 56.221 56.100 0.201 0.000 0.921 496 R CB 0.000 30.370 30.300 0.117 0.000 0.687 496 R HN 0.000 nan 8.270 nan 0.000 0.535