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 2wcg_1_A DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFXXXX XPALGTFSRY 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 TYLWHRQL 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 0.000 177.576 177.584 -0.013 0.000 1.274 1 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 1 A CB 0.000 19.012 19.000 0.020 0.000 0.831 2 R N 2.068 122.541 120.500 -0.045 0.000 2.308 2 R HA 0.533 4.874 4.340 0.001 0.000 0.305 2 R C -2.707 173.601 176.300 0.015 0.000 1.053 2 R CA -1.541 54.548 56.100 -0.018 0.000 0.957 2 R CB 1.237 31.425 30.300 -0.187 0.000 1.022 2 R HN 0.393 nan 8.270 nan 0.000 0.461 3 P HA 0.037 nan 4.420 nan 0.000 0.276 3 P C 0.141 177.511 177.300 0.117 0.000 1.244 3 P CA -0.714 62.421 63.100 0.059 0.000 0.801 3 P CB 0.692 32.415 31.700 0.039 0.000 1.006 4 c N 3.583 122.210 118.600 0.045 0.000 2.538 4 c HA 0.066 4.636 4.570 0.001 0.000 0.408 4 c C 0.591 174.712 174.090 0.051 0.000 1.421 4 c CA -0.280 56.082 56.329 0.055 0.000 1.642 4 c CB -1.906 40.589 42.510 -0.026 0.000 2.553 4 c HN 0.263 nan 8.230 nan 0.000 0.604 5 I N 9.467 130.073 120.570 0.060 0.000 2.281 5 I HA 0.302 4.472 4.170 0.001 0.000 0.293 5 I C -1.629 174.492 176.117 0.008 0.000 1.085 5 I CA -2.705 58.581 61.300 -0.023 0.000 1.257 5 I CB 0.440 38.378 38.000 -0.104 0.000 1.430 5 I HN 0.578 nan 8.210 nan 0.000 0.489 6 P HA 0.308 nan 4.420 nan 0.000 0.279 6 P C -0.673 176.627 177.300 -0.001 0.000 1.239 6 P CA -0.575 62.531 63.100 0.010 0.000 0.789 6 P CB 1.741 33.433 31.700 -0.014 0.000 0.933 7 K N 1.188 121.602 120.400 0.024 0.000 2.513 7 K HA 0.397 4.717 4.320 0.001 0.000 0.251 7 K C -1.005 175.551 176.600 -0.074 0.000 0.939 7 K CA -0.553 55.695 56.287 -0.066 0.000 0.793 7 K CB 1.745 34.204 32.500 -0.068 0.000 1.241 7 K HN 0.352 nan 8.250 nan 0.000 0.431 8 S N 3.189 118.780 115.700 -0.182 0.000 2.525 8 S HA 0.456 4.927 4.470 0.001 0.000 0.278 8 S C -0.360 174.031 174.600 -0.350 0.000 1.234 8 S CA -0.511 57.614 58.200 -0.125 0.000 1.058 8 S CB 0.288 63.427 63.200 -0.101 0.000 0.983 8 S HN 0.530 nan 8.310 nan 0.000 0.495 9 F N 2.645 122.557 119.950 -0.062 0.000 2.708 9 F HA 0.391 4.918 4.527 0.001 0.000 0.300 9 F C 1.680 177.315 175.800 -0.276 0.000 1.118 9 F CA 0.075 58.010 58.000 -0.108 0.000 1.307 9 F CB 0.550 39.535 39.000 -0.026 0.000 0.986 9 F HN 0.905 nan 8.300 nan 0.000 0.522 10 G N -0.813 107.893 108.800 -0.158 0.000 2.157 10 G HA2 -0.315 3.646 3.960 0.001 0.000 0.248 10 G HA3 -0.315 3.646 3.960 0.001 0.000 0.248 10 G C 0.106 174.746 174.900 -0.434 0.000 0.979 10 G CA -0.165 44.752 45.100 -0.304 0.000 0.650 10 G HN 0.384 nan 8.290 nan 0.000 0.529 11 Y N 0.497 120.851 120.300 0.089 0.000 2.613 11 Y HA 0.464 5.014 4.550 0.001 0.000 0.359 11 Y C 2.279 178.222 175.900 0.071 0.000 1.289 11 Y CA 0.116 58.263 58.100 0.078 0.000 1.460 11 Y CB 0.345 38.858 38.460 0.090 0.000 1.622 11 Y HN 0.191 nan 8.280 nan 0.000 0.631 12 S N -1.402 114.467 115.700 0.280 0.000 2.453 12 S HA 0.030 4.501 4.470 0.001 0.000 0.231 12 S C 0.661 175.335 174.600 0.123 0.000 1.005 12 S CA 0.746 59.042 58.200 0.161 0.000 0.949 12 S CB -0.078 63.211 63.200 0.148 0.000 0.774 12 S HN 0.436 nan 8.310 nan 0.000 0.510 13 S N -0.440 115.376 115.700 0.193 0.000 2.903 13 S HA 0.703 5.173 4.470 0.001 0.000 0.314 13 S C -0.947 173.757 174.600 0.174 0.000 1.177 13 S CA -0.246 58.042 58.200 0.146 0.000 0.859 13 S CB 1.085 64.418 63.200 0.221 0.000 1.265 13 S HN 0.687 nan 8.310 nan 0.000 0.584 14 V N 0.806 120.813 119.914 0.154 0.000 2.850 14 V HA 0.944 5.064 4.120 0.001 0.000 0.315 14 V C 0.149 176.372 176.094 0.215 0.000 1.064 14 V CA -0.558 61.834 62.300 0.153 0.000 0.979 14 V CB 0.960 32.827 31.823 0.073 0.000 1.039 14 V HN 0.890 nan 8.190 nan 0.000 0.452 15 V N -0.771 119.279 119.914 0.228 0.000 2.973 15 V HA 0.671 4.792 4.120 0.001 0.000 0.314 15 V C 0.089 176.317 176.094 0.223 0.000 1.066 15 V CA -0.566 61.887 62.300 0.256 0.000 1.021 15 V CB 1.225 33.201 31.823 0.255 0.000 1.076 15 V HN 1.079 nan 8.190 nan 0.000 0.462 16 c N 2.434 121.179 118.600 0.241 0.000 2.273 16 c HA 0.652 5.223 4.570 0.001 0.000 0.328 16 c C 0.310 174.490 174.090 0.150 0.000 1.275 16 c CA -0.673 55.758 56.329 0.171 0.000 1.704 16 c CB 0.070 42.689 42.510 0.183 0.000 2.326 16 c HN 0.747 nan 8.230 nan 0.000 0.517 17 V N 3.078 123.067 119.914 0.125 0.000 2.461 17 V HA 0.344 4.465 4.120 0.001 0.000 0.275 17 V C 0.307 176.319 176.094 -0.137 0.000 1.047 17 V CA -0.072 62.262 62.300 0.056 0.000 0.955 17 V CB 0.452 32.347 31.823 0.119 0.000 0.988 17 V HN 1.057 nan 8.190 nan 0.000 0.471 18 c N 5.243 123.567 118.600 -0.460 0.000 2.707 18 c HA 0.865 5.436 4.570 0.001 0.000 0.313 18 c C 0.142 173.853 174.090 -0.632 0.000 1.209 18 c CA -0.559 55.371 56.329 -0.665 0.000 1.635 18 c CB 1.678 43.277 42.510 -1.519 0.000 2.206 18 c HN 1.132 nan 8.230 nan 0.000 0.485 19 N N 0.177 118.682 118.700 -0.325 0.000 3.526 19 N HA 0.464 5.205 4.740 0.001 0.000 0.328 19 N C 0.169 175.679 175.510 -0.000 0.000 1.601 19 N CA -0.042 52.928 53.050 -0.133 0.000 0.834 19 N CB 0.170 38.611 38.487 -0.076 0.000 1.983 19 N HN 0.486 nan 8.380 nan 0.000 0.579 20 A N -1.035 121.805 122.820 0.033 0.000 2.015 20 A HA 0.023 4.344 4.320 0.001 0.000 0.219 20 A C 1.520 179.135 177.584 0.051 0.000 1.163 20 A CA 2.425 54.495 52.037 0.056 0.000 0.646 20 A CB -1.209 17.818 19.000 0.044 0.000 0.806 20 A HN 0.897 nan 8.150 nan 0.000 0.448 21 T N -6.101 108.486 114.554 0.054 0.000 3.010 21 T HA 0.342 4.693 4.350 0.001 0.000 0.257 21 T C -0.107 174.648 174.700 0.093 0.000 1.020 21 T CA -0.121 62.017 62.100 0.063 0.000 0.938 21 T CB -0.137 68.771 68.868 0.067 0.000 1.049 21 T HN 0.258 nan 8.240 nan 0.000 0.522 22 Y N 0.263 120.537 120.300 -0.044 0.000 2.396 22 Y HA 0.598 5.149 4.550 0.001 0.000 0.332 22 Y C -1.392 174.447 175.900 -0.102 0.000 1.034 22 Y CA -1.533 56.530 58.100 -0.060 0.000 1.057 22 Y CB 1.831 40.250 38.460 -0.068 0.000 1.220 22 Y HN 0.305 nan 8.280 nan 0.000 0.440 23 c N 6.664 124.912 118.600 -0.586 0.000 2.985 23 c HA 0.395 4.965 4.570 0.001 0.000 0.314 23 c C -1.297 172.524 174.090 -0.450 0.000 1.215 23 c CA -0.822 55.297 56.329 -0.350 0.000 1.414 23 c CB 0.831 43.253 42.510 -0.147 0.000 1.842 23 c HN 0.932 nan 8.230 nan 0.000 0.477 24 D N 2.983 123.281 120.400 -0.170 0.000 2.414 24 D HA 0.416 5.056 4.640 0.001 0.000 0.242 24 D C -0.091 176.148 176.300 -0.102 0.000 1.129 24 D CA 0.330 54.271 54.000 -0.098 0.000 0.885 24 D CB 1.232 42.052 40.800 0.033 0.000 1.198 24 D HN 0.788 nan 8.370 nan 0.000 0.437 25 S N 0.214 115.843 115.700 -0.118 0.000 2.688 25 S HA 0.597 5.068 4.470 0.001 0.000 0.275 25 S C -0.753 173.770 174.600 -0.129 0.000 1.175 25 S CA -1.001 57.164 58.200 -0.059 0.000 0.818 25 S CB 0.837 64.030 63.200 -0.012 0.000 1.157 25 S HN 0.376 nan 8.310 nan 0.000 0.482 33 A N -0.310 122.554 122.820 0.073 0.000 2.404 33 A HA 0.679 5.000 4.320 0.001 0.000 0.258 33 A C 0.396 178.043 177.584 0.105 0.000 1.644 33 A CA 0.865 52.947 52.037 0.076 0.000 0.847 33 A CB -0.937 18.084 19.000 0.036 0.000 1.473 33 A HN 1.280 nan 8.150 nan 0.000 0.602 34 L N -2.729 118.542 121.223 0.080 0.000 2.376 34 L HA 0.761 5.101 4.340 0.001 0.000 0.258 34 L C 0.585 177.495 176.870 0.066 0.000 1.013 34 L CA -0.541 54.357 54.840 0.097 0.000 0.822 34 L CB 0.846 42.960 42.059 0.091 0.000 1.388 34 L HN 1.477 nan 8.230 nan 0.000 0.413 35 G N 1.430 110.273 108.800 0.072 0.000 2.716 35 G HA2 0.508 4.468 3.960 0.001 0.000 0.296 35 G HA3 0.508 4.468 3.960 0.001 0.000 0.296 35 G C 0.388 175.332 174.900 0.074 0.000 0.811 35 G CA 0.686 45.844 45.100 0.097 0.000 1.758 35 G HN 1.475 nan 8.290 nan 0.000 0.512 36 T N -0.352 114.243 114.554 0.068 0.000 2.950 36 T HA 0.754 5.105 4.350 0.001 0.000 0.288 36 T C -0.237 174.520 174.700 0.095 0.000 1.035 36 T CA -1.008 61.092 62.100 -0.000 0.000 1.028 36 T CB 1.727 70.546 68.868 -0.082 0.000 1.109 36 T HN 0.490 nan 8.240 nan 0.000 0.514 37 F N -0.505 119.464 119.950 0.032 0.000 2.523 37 F HA 0.852 5.379 4.527 0.001 0.000 0.329 37 F C -0.326 175.505 175.800 0.052 0.000 1.061 37 F CA -1.198 56.858 58.000 0.093 0.000 0.967 37 F CB 1.221 40.266 39.000 0.075 0.000 1.218 37 F HN 0.545 nan 8.300 nan 0.000 0.480 38 S N 1.766 117.620 115.700 0.257 0.000 2.525 38 S HA 0.564 5.035 4.470 0.001 0.000 0.290 38 S C -0.794 173.894 174.600 0.147 0.000 1.152 38 S CA -0.864 57.367 58.200 0.053 0.000 1.072 38 S CB 1.231 64.428 63.200 -0.004 0.000 1.027 38 S HN 0.753 nan 8.310 nan 0.000 0.500 39 R N 2.165 122.582 120.500 -0.138 0.000 2.513 39 R HA 0.387 4.728 4.340 0.001 0.000 0.301 39 R C -1.971 173.997 176.300 -0.553 0.000 0.968 39 R CA -0.441 55.463 56.100 -0.327 0.000 0.872 39 R CB 0.762 30.946 30.300 -0.194 0.000 1.177 39 R HN 0.633 nan 8.270 nan 0.000 0.444 40 Y N 1.867 121.941 120.300 -0.377 0.000 2.330 40 Y HA 0.318 4.868 4.550 0.001 0.000 0.336 40 Y C 0.114 175.950 175.900 -0.106 0.000 1.036 40 Y CA -0.387 57.589 58.100 -0.207 0.000 1.125 40 Y CB 1.821 40.138 38.460 -0.239 0.000 1.194 40 Y HN 0.571 nan 8.280 nan 0.000 0.469 41 E N 1.489 121.762 120.200 0.121 0.000 2.272 41 E HA 0.674 5.024 4.350 0.001 0.000 0.269 41 E C -1.585 175.200 176.600 0.307 0.000 0.877 41 E CA -0.627 55.867 56.400 0.156 0.000 0.755 41 E CB 1.411 31.063 29.700 -0.080 0.000 1.192 41 E HN 0.576 nan 8.360 nan 0.000 0.422 42 S N 1.799 117.718 115.700 0.366 0.000 2.538 42 S HA 0.583 5.054 4.470 0.001 0.000 0.288 42 S C -0.941 173.861 174.600 0.336 0.000 1.108 42 S CA -0.742 57.671 58.200 0.355 0.000 0.971 42 S CB 1.766 65.262 63.200 0.493 0.000 1.041 42 S HN 0.644 nan 8.310 nan 0.000 0.483 43 T N -0.864 113.761 114.554 0.118 0.000 2.906 43 T HA 0.511 4.861 4.350 0.001 0.000 0.295 43 T C 0.738 174.899 174.700 -0.897 0.000 1.075 43 T CA -0.971 61.020 62.100 -0.182 0.000 1.005 43 T CB 1.708 70.517 68.868 -0.098 0.000 1.136 43 T HN 0.459 nan 8.240 nan 0.000 0.498 44 R N 0.653 120.383 120.500 -1.284 0.000 2.120 44 R HA -0.093 4.248 4.340 0.001 0.000 0.234 44 R C 2.269 178.202 176.300 -0.611 0.000 1.123 44 R CA 1.874 57.069 56.100 -1.508 0.000 0.975 44 R CB -0.509 29.104 30.300 -1.145 0.000 0.866 44 R HN 0.801 nan 8.270 nan 0.000 0.446 45 S N -1.763 113.713 115.700 -0.373 0.000 2.515 45 S HA 0.064 4.534 4.470 0.001 0.000 0.231 45 S C 1.257 175.765 174.600 -0.153 0.000 0.987 45 S CA 0.774 58.857 58.200 -0.194 0.000 0.936 45 S CB 0.592 63.718 63.200 -0.123 0.000 0.766 45 S HN 0.564 nan 8.310 nan 0.000 0.528 46 G N 0.518 109.211 108.800 -0.179 0.000 2.273 46 G HA2 -0.120 3.841 3.960 0.001 0.000 0.162 46 G HA3 -0.120 3.841 3.960 0.001 0.000 0.162 46 G C -0.018 174.835 174.900 -0.078 0.000 1.006 46 G CA -0.691 44.347 45.100 -0.103 0.000 0.704 46 G HN 0.487 nan 8.290 nan 0.000 0.487 47 R N 0.630 121.090 120.500 -0.067 0.000 2.491 47 R HA 0.528 4.869 4.340 0.001 0.000 0.283 47 R C -0.219 176.073 176.300 -0.013 0.000 1.072 47 R CA -0.045 56.039 56.100 -0.027 0.000 1.048 47 R CB 0.429 30.735 30.300 0.009 0.000 0.983 47 R HN -0.044 nan 8.270 nan 0.000 0.450 48 R N 4.047 124.511 120.500 -0.060 0.000 2.352 48 R HA 0.176 4.517 4.340 0.001 0.000 0.304 48 R C -0.024 176.275 176.300 -0.002 0.000 1.104 48 R CA -0.532 55.468 56.100 -0.166 0.000 0.991 48 R CB 1.021 31.061 30.300 -0.434 0.000 1.140 48 R HN 0.795 nan 8.270 nan 0.000 0.540 49 M N 0.768 120.488 119.600 0.201 0.000 2.136 49 M HA -0.272 4.209 4.480 0.001 0.000 0.194 49 M C -0.442 176.026 176.300 0.280 0.000 0.337 49 M CA 1.245 56.730 55.300 0.308 0.000 0.385 49 M CB -1.336 31.523 32.600 0.433 0.000 1.066 49 M HN 0.402 nan 8.290 nan 0.000 0.943 50 E N 1.014 121.298 120.200 0.139 0.000 2.344 50 E HA 0.300 4.651 4.350 0.001 0.000 0.270 50 E C -0.264 176.287 176.600 -0.082 0.000 1.021 50 E CA -0.501 55.918 56.400 0.032 0.000 0.887 50 E CB 0.896 30.590 29.700 -0.011 0.000 0.997 50 E HN 0.261 nan 8.360 nan 0.000 0.429 51 L N 3.462 124.583 121.223 -0.170 0.000 2.305 51 L HA 0.280 4.620 4.340 0.001 0.000 0.281 51 L C -0.418 176.276 176.870 -0.293 0.000 1.085 51 L CA 0.391 54.966 54.840 -0.441 0.000 0.813 51 L CB 0.850 42.724 42.059 -0.308 0.000 1.157 51 L HN 0.585 nan 8.230 nan 0.000 0.436 52 S N 4.450 119.949 115.700 -0.334 0.000 2.671 52 S HA 0.867 5.338 4.470 0.001 0.000 0.277 52 S C -0.752 173.689 174.600 -0.265 0.000 1.165 52 S CA -1.052 57.010 58.200 -0.230 0.000 0.822 52 S CB 1.507 64.607 63.200 -0.166 0.000 1.150 52 S HN 0.592 nan 8.310 nan 0.000 0.479 53 M N 0.024 119.461 119.600 -0.273 0.000 2.575 53 M HA 0.759 5.240 4.480 0.001 0.000 0.284 53 M C -0.218 175.742 176.300 -0.566 0.000 1.253 53 M CA -0.510 54.532 55.300 -0.430 0.000 0.861 53 M CB 2.728 35.147 32.600 -0.303 0.000 1.733 53 M HN 1.109 nan 8.290 nan 0.000 0.462 54 G N 0.844 109.009 108.800 -1.059 0.000 2.682 54 G HA2 0.821 4.781 3.960 0.001 0.000 0.290 54 G HA3 0.821 4.781 3.960 0.001 0.000 0.290 54 G C -3.390 171.124 174.900 -0.642 0.000 1.425 54 G CA -1.031 43.555 45.100 -0.857 0.000 0.807 54 G HN 0.349 nan 8.290 nan 0.000 0.482 55 P HA 0.467 nan 4.420 nan 0.000 0.288 55 P C -0.494 176.895 177.300 0.149 0.000 1.267 55 P CA -0.447 62.647 63.100 -0.010 0.000 0.815 55 P CB 1.878 33.584 31.700 0.009 0.000 0.989 56 I N 3.254 123.897 120.570 0.123 0.000 2.352 56 I HA 0.116 4.287 4.170 0.001 0.000 0.290 56 I C 1.104 177.263 176.117 0.070 0.000 1.036 56 I CA -0.171 61.175 61.300 0.077 0.000 1.336 56 I CB 0.372 38.373 38.000 0.000 0.000 1.407 56 I HN 0.131 nan 8.210 nan 0.000 0.497 57 Q N 4.626 124.486 119.800 0.100 0.000 2.227 57 Q HA 0.390 4.730 4.340 0.001 0.000 0.245 57 Q C 0.724 176.842 176.000 0.196 0.000 0.926 57 Q CA -0.368 55.513 55.803 0.130 0.000 0.895 57 Q CB 1.865 30.685 28.738 0.137 0.000 1.230 57 Q HN 0.814 nan 8.270 nan 0.000 0.450 58 A N 2.867 125.782 122.820 0.159 0.000 1.970 58 A HA -0.041 4.280 4.320 0.001 0.000 0.216 58 A C 0.309 178.067 177.584 0.290 0.000 1.170 58 A CA 0.999 53.148 52.037 0.185 0.000 0.645 58 A CB 0.027 19.091 19.000 0.106 0.000 0.816 58 A HN 0.775 nan 8.150 nan 0.000 0.447 59 N N -1.525 117.272 118.700 0.162 0.000 2.381 59 N HA 0.544 5.285 4.740 0.001 0.000 0.294 59 N C -0.890 174.421 175.510 -0.333 0.000 1.216 59 N CA -0.633 52.405 53.050 -0.020 0.000 0.803 59 N CB 1.204 39.663 38.487 -0.047 0.000 1.372 59 N HN 0.361 nan 8.380 nan 0.000 0.500 60 H N -0.329 118.266 119.070 -0.793 0.000 2.954 60 H HA 0.484 5.041 4.556 0.001 0.000 0.361 60 H C -1.717 173.333 175.328 -0.464 0.000 1.122 60 H CA -0.472 55.093 56.048 -0.804 0.000 1.217 60 H CB 1.524 30.393 29.762 -1.488 0.000 1.776 60 H HN 0.639 nan 8.280 nan 0.000 0.533 61 T N 2.232 116.168 114.554 -1.031 0.000 2.903 61 T HA 0.693 5.043 4.350 0.001 0.000 0.299 61 T C -0.096 174.131 174.700 -0.789 0.000 1.093 61 T CA -0.164 61.498 62.100 -0.730 0.000 1.002 61 T CB 1.972 70.628 68.868 -0.353 0.000 1.127 61 T HN 1.005 nan 8.240 nan 0.000 0.488 62 G N 0.518 109.056 108.800 -0.438 0.000 2.351 62 G HA2 0.306 4.267 3.960 0.001 0.000 0.353 62 G HA3 0.306 4.267 3.960 0.001 0.000 0.353 62 G C -0.007 174.841 174.900 -0.087 0.000 1.358 62 G CA -0.005 44.963 45.100 -0.221 0.000 0.995 62 G HN 1.159 nan 8.290 nan 0.000 0.611 63 T N -1.834 112.709 114.554 -0.019 0.000 3.182 63 T HA 0.592 4.943 4.350 0.001 0.000 0.277 63 T C 1.193 175.916 174.700 0.038 0.000 1.013 63 T CA 1.077 63.185 62.100 0.014 0.000 0.900 63 T CB 0.529 69.395 68.868 -0.002 0.000 1.098 63 T HN 1.676 nan 8.240 nan 0.000 0.543 64 G N 1.615 110.454 108.800 0.065 0.000 2.616 64 G HA2 0.492 4.453 3.960 0.001 0.000 0.268 64 G HA3 0.492 4.453 3.960 0.001 0.000 0.268 64 G C -0.209 174.715 174.900 0.041 0.000 1.213 64 G CA -0.910 44.220 45.100 0.050 0.000 0.926 64 G HN 0.487 nan 8.290 nan 0.000 0.523 65 L N -0.301 120.930 121.223 0.014 0.000 2.559 65 L HA 0.371 4.712 4.340 0.001 0.000 0.274 65 L C -0.307 176.547 176.870 -0.026 0.000 1.205 65 L CA -0.001 54.838 54.840 -0.001 0.000 0.907 65 L CB 0.482 42.536 42.059 -0.009 0.000 1.153 65 L HN 0.348 nan 8.230 nan 0.000 0.490 66 L N 6.346 127.556 121.223 -0.021 0.000 2.385 66 L HA 0.581 4.921 4.340 0.001 0.000 0.273 66 L C -1.417 175.432 176.870 -0.034 0.000 0.990 66 L CA -0.303 54.507 54.840 -0.050 0.000 0.821 66 L CB 1.606 43.658 42.059 -0.012 0.000 1.279 66 L HN 0.561 nan 8.230 nan 0.000 0.412 67 L N 4.826 126.013 121.223 -0.060 0.000 2.305 67 L HA 0.552 4.892 4.340 0.001 0.000 0.284 67 L C -0.404 176.442 176.870 -0.039 0.000 1.013 67 L CA -0.428 54.388 54.840 -0.041 0.000 0.819 67 L CB 1.679 43.707 42.059 -0.051 0.000 1.227 67 L HN 0.592 nan 8.230 nan 0.000 0.417 68 T N 4.055 118.603 114.554 -0.010 0.000 2.772 68 T HA 0.410 4.761 4.350 0.001 0.000 0.288 68 T C 0.013 174.723 174.700 0.018 0.000 0.994 68 T CA -0.542 61.552 62.100 -0.009 0.000 0.951 68 T CB 1.192 70.064 68.868 0.007 0.000 0.933 68 T HN 0.179 nan 8.240 nan 0.000 0.447 69 L N 3.569 124.810 121.223 0.030 0.000 2.514 69 L HA 0.100 4.440 4.340 0.001 0.000 0.280 69 L C 0.806 177.708 176.870 0.053 0.000 1.223 69 L CA 0.900 55.780 54.840 0.067 0.000 0.864 69 L CB 0.265 42.394 42.059 0.116 0.000 1.118 69 L HN 0.619 nan 8.230 nan 0.000 0.494 70 Q N 5.662 125.503 119.800 0.069 0.000 2.788 70 Q HA 0.236 4.576 4.340 0.001 0.000 0.261 70 Q C -1.680 174.358 176.000 0.063 0.000 1.029 70 Q CA -1.440 54.401 55.803 0.063 0.000 0.848 70 Q CB 1.103 29.888 28.738 0.078 0.000 1.185 70 Q HN 0.438 nan 8.270 nan 0.000 0.482 71 P HA -0.103 nan 4.420 nan 0.000 0.234 71 P C 0.765 178.076 177.300 0.018 0.000 1.167 71 P CA 0.971 64.095 63.100 0.040 0.000 0.763 71 P CB 0.333 32.055 31.700 0.037 0.000 0.835 72 E N -0.522 119.682 120.200 0.008 0.000 2.460 72 E HA 0.029 4.379 4.350 0.001 0.000 0.200 72 E C 1.035 177.602 176.600 -0.057 0.000 1.011 72 E CA 0.078 56.468 56.400 -0.017 0.000 0.912 72 E CB -0.497 29.198 29.700 -0.009 0.000 0.953 72 E HN 0.329 nan 8.360 nan 0.000 0.494 73 Q N 1.708 121.475 119.800 -0.055 0.000 2.344 73 Q HA 0.222 4.562 4.340 0.001 0.000 0.253 73 Q C -0.730 175.090 176.000 -0.301 0.000 1.050 73 Q CA 0.011 55.705 55.803 -0.180 0.000 0.912 73 Q CB 0.889 29.609 28.738 -0.030 0.000 1.258 73 Q HN 0.144 nan 8.270 nan 0.000 0.443 74 K N 3.154 123.291 120.400 -0.439 0.000 2.206 74 K HA 0.479 4.800 4.320 0.001 0.000 0.264 74 K C -0.343 175.947 176.600 -0.517 0.000 0.967 74 K CA -0.280 55.830 56.287 -0.294 0.000 0.844 74 K CB 1.056 33.471 32.500 -0.141 0.000 1.099 74 K HN 0.280 nan 8.250 nan 0.000 0.441 75 F N 0.376 120.349 119.950 0.038 0.000 3.084 75 F HA 0.192 4.719 4.527 0.001 0.000 0.232 75 F C 1.143 176.981 175.800 0.063 0.000 1.511 75 F CA -0.613 57.420 58.000 0.055 0.000 0.942 75 F CB -0.152 38.860 39.000 0.020 0.000 1.935 75 F HN 0.326 nan 8.300 nan 0.000 0.403 76 Q N 2.049 122.027 119.800 0.297 0.000 2.312 76 Q HA 0.282 4.623 4.340 0.001 0.000 0.236 76 Q C -1.336 174.744 176.000 0.134 0.000 0.965 76 Q CA -0.278 55.637 55.803 0.187 0.000 0.894 76 Q CB 1.117 29.956 28.738 0.169 0.000 1.225 76 Q HN 0.490 nan 8.270 nan 0.000 0.478 77 K N 0.813 121.275 120.400 0.103 0.000 2.143 77 K HA 0.409 4.730 4.320 0.001 0.000 0.272 77 K C -0.685 175.946 176.600 0.052 0.000 1.001 77 K CA -0.726 55.603 56.287 0.070 0.000 0.915 77 K CB 1.705 34.239 32.500 0.058 0.000 1.047 77 K HN 0.403 nan 8.250 nan 0.000 0.458 78 V N 3.696 123.624 119.914 0.023 0.000 2.498 78 V HA 0.022 4.143 4.120 0.001 0.000 0.279 78 V C 1.140 177.190 176.094 -0.075 0.000 1.048 78 V CA -0.114 62.170 62.300 -0.026 0.000 0.967 78 V CB 1.242 33.057 31.823 -0.012 0.000 0.988 78 V HN 0.735 nan 8.190 nan 0.000 0.473 79 K N 3.690 124.025 120.400 -0.109 0.000 2.021 79 K HA 0.336 4.656 4.320 0.001 0.000 0.205 79 K C 0.749 177.187 176.600 -0.270 0.000 1.047 79 K CA 1.539 57.704 56.287 -0.204 0.000 0.943 79 K CB -0.180 32.194 32.500 -0.209 0.000 0.725 79 K HN 1.018 nan 8.250 nan 0.000 0.439 80 G N -2.173 106.411 108.800 -0.359 0.000 2.332 80 G HA2 0.223 4.183 3.960 0.001 0.000 0.265 80 G HA3 0.223 4.183 3.960 0.001 0.000 0.265 80 G C -1.485 172.944 174.900 -0.785 0.000 1.329 80 G CA -0.724 44.099 45.100 -0.462 0.000 0.949 80 G HN 0.036 nan 8.290 nan 0.000 0.476 81 F N -0.114 119.796 119.950 -0.066 0.000 2.601 81 F HA 0.829 5.357 4.527 0.001 0.000 0.309 81 F C 0.771 176.317 175.800 -0.423 0.000 1.089 81 F CA 0.427 58.328 58.000 -0.164 0.000 0.940 81 F CB 2.298 41.226 39.000 -0.121 0.000 1.273 81 F HN 1.315 nan 8.300 nan 0.000 0.450 82 G N 0.048 108.555 108.800 -0.487 0.000 2.474 82 G HA2 0.601 4.562 3.960 0.001 0.000 0.234 82 G HA3 0.601 4.562 3.960 0.001 0.000 0.234 82 G C -1.219 173.259 174.900 -0.702 0.000 1.204 82 G CA -0.006 44.437 45.100 -1.096 0.000 0.939 82 G HN 1.117 nan 8.290 nan 0.000 0.491 83 G N -1.593 107.016 108.800 -0.319 0.000 2.645 83 G HA2 0.782 4.742 3.960 0.001 0.000 0.292 83 G HA3 0.782 4.742 3.960 0.001 0.000 0.292 83 G C -1.220 173.705 174.900 0.042 0.000 1.415 83 G CA 0.505 45.553 45.100 -0.087 0.000 0.785 83 G HN 1.763 nan 8.290 nan 0.000 0.483 84 A N -0.319 122.537 122.820 0.060 0.000 2.317 84 A HA 0.668 4.988 4.320 0.001 0.000 0.327 84 A C -0.277 177.301 177.584 -0.010 0.000 1.178 84 A CA -0.647 51.452 52.037 0.103 0.000 0.817 84 A CB 1.456 20.613 19.000 0.263 0.000 1.189 84 A HN 0.778 nan 8.150 nan 0.000 0.489 85 M N 3.778 123.413 119.600 0.058 0.000 3.117 85 M HA 0.227 4.707 4.480 0.001 0.000 0.292 85 M C 0.633 176.938 176.300 0.008 0.000 1.357 85 M CA -0.207 55.115 55.300 0.036 0.000 1.463 85 M CB -0.722 31.936 32.600 0.096 0.000 1.105 85 M HN 0.778 nan 8.290 nan 0.000 0.553 86 T N -1.262 113.212 114.554 -0.135 0.000 2.726 86 T HA 0.215 4.566 4.350 0.001 0.000 0.294 86 T C 0.812 175.488 174.700 -0.039 0.000 1.013 86 T CA -0.547 61.462 62.100 -0.152 0.000 0.996 86 T CB 0.612 69.242 68.868 -0.397 0.000 1.016 86 T HN 0.483 nan 8.240 nan 0.000 0.529 87 D N 0.814 121.222 120.400 0.012 0.000 2.123 87 D HA -0.065 4.576 4.640 0.001 0.000 0.196 87 D C 2.336 178.660 176.300 0.040 0.000 0.992 87 D CA 1.742 55.777 54.000 0.058 0.000 0.833 87 D CB -0.843 40.020 40.800 0.105 0.000 0.954 87 D HN 0.729 nan 8.370 nan 0.000 0.455 88 A N 0.862 123.708 122.820 0.042 0.000 1.930 88 A HA 0.019 4.340 4.320 0.001 0.000 0.217 88 A C 2.296 179.880 177.584 -0.000 0.000 1.175 88 A CA 2.032 54.109 52.037 0.067 0.000 0.627 88 A CB -0.660 18.462 19.000 0.203 0.000 0.815 88 A HN 0.231 nan 8.150 nan 0.000 0.443 89 A N 0.058 122.834 122.820 -0.074 0.000 1.877 89 A HA 0.147 4.468 4.320 0.001 0.000 0.216 89 A C 2.538 180.112 177.584 -0.017 0.000 1.186 89 A CA 2.180 54.176 52.037 -0.068 0.000 0.620 89 A CB -1.150 17.785 19.000 -0.109 0.000 0.822 89 A HN 1.074 nan 8.150 nan 0.000 0.443 90 A N -0.351 122.468 122.820 -0.002 0.000 1.908 90 A HA -0.100 4.220 4.320 0.001 0.000 0.218 90 A C 2.190 179.783 177.584 0.014 0.000 1.181 90 A CA 1.670 53.716 52.037 0.016 0.000 0.627 90 A CB -0.670 18.349 19.000 0.032 0.000 0.818 90 A HN 0.478 nan 8.150 nan 0.000 0.445 91 L N -0.292 120.942 121.223 0.019 0.000 2.093 91 L HA -0.184 4.156 4.340 0.001 0.000 0.208 91 L C 2.390 179.268 176.870 0.015 0.000 1.085 91 L CA 1.087 55.939 54.840 0.021 0.000 0.755 91 L CB -0.561 41.517 42.059 0.032 0.000 0.904 91 L HN 0.400 nan 8.230 nan 0.000 0.435 92 N N 0.298 119.004 118.700 0.011 0.000 2.084 92 N HA -0.136 4.604 4.740 0.001 0.000 0.190 92 N C 1.936 177.441 175.510 -0.010 0.000 1.030 92 N CA 1.491 54.543 53.050 0.003 0.000 0.849 92 N CB -0.135 38.353 38.487 0.002 0.000 1.012 92 N HN 0.323 nan 8.380 nan 0.000 0.423 93 I N 1.185 121.745 120.570 -0.017 0.000 2.252 93 I HA -0.191 3.980 4.170 0.001 0.000 0.245 93 I C 1.916 178.020 176.117 -0.021 0.000 1.102 93 I CA 0.782 62.059 61.300 -0.038 0.000 1.385 93 I CB -0.191 37.793 38.000 -0.026 0.000 1.064 93 I HN 0.023 nan 8.210 nan 0.000 0.414 94 L N 0.559 121.780 121.223 -0.004 0.000 2.549 94 L HA -0.075 4.266 4.340 0.001 0.000 0.229 94 L C 2.374 179.248 176.870 0.006 0.000 1.158 94 L CA 0.421 55.262 54.840 0.003 0.000 0.842 94 L CB -0.482 41.582 42.059 0.008 0.000 0.952 94 L HN 0.231 nan 8.230 nan 0.000 0.452 95 A N -0.497 122.326 122.820 0.006 0.000 2.218 95 A HA 0.208 4.529 4.320 0.001 0.000 0.209 95 A C 1.029 178.622 177.584 0.015 0.000 1.168 95 A CA -0.018 52.026 52.037 0.011 0.000 0.804 95 A CB -0.077 18.930 19.000 0.013 0.000 0.834 95 A HN 0.234 nan 8.150 nan 0.000 0.482 96 L N 0.884 122.115 121.223 0.014 0.000 2.439 96 L HA 0.245 4.585 4.340 0.001 0.000 0.261 96 L C 1.100 177.985 176.870 0.026 0.000 1.153 96 L CA -0.486 54.371 54.840 0.028 0.000 0.808 96 L CB 1.075 43.153 42.059 0.032 0.000 1.126 96 L HN 0.360 nan 8.230 nan 0.000 0.460 97 S N 0.770 116.491 115.700 0.034 0.000 2.568 97 S HA 0.108 4.578 4.470 0.001 0.000 0.282 97 S C -1.910 172.709 174.600 0.031 0.000 1.338 97 S CA -0.968 57.250 58.200 0.030 0.000 1.045 97 S CB 0.789 64.008 63.200 0.032 0.000 0.873 97 S HN 0.409 nan 8.310 nan 0.000 0.516 98 P HA -0.046 nan 4.420 nan 0.000 0.216 98 P C -1.522 175.795 177.300 0.030 0.000 1.150 98 P CA 1.281 64.395 63.100 0.022 0.000 0.843 98 P CB -1.104 30.607 31.700 0.017 0.000 0.787 99 P HA -0.141 nan 4.420 nan 0.000 0.216 99 P C 1.413 178.755 177.300 0.069 0.000 1.153 99 P CA 1.881 65.007 63.100 0.044 0.000 0.848 99 P CB -0.621 31.104 31.700 0.041 0.000 0.787 100 A N -0.337 122.536 122.820 0.089 0.000 1.930 100 A HA -0.226 4.095 4.320 0.001 0.000 0.217 100 A C 2.242 179.887 177.584 0.102 0.000 1.175 100 A CA 1.362 53.503 52.037 0.173 0.000 0.627 100 A CB -1.253 17.859 19.000 0.187 0.000 0.815 100 A HN 0.177 nan 8.150 nan 0.000 0.443 101 Q N -0.079 119.737 119.800 0.027 0.000 2.077 101 Q HA -0.216 4.125 4.340 0.001 0.000 0.206 101 Q C 1.841 177.828 176.000 -0.021 0.000 0.989 101 Q CA 1.604 57.390 55.803 -0.029 0.000 0.853 101 Q CB -0.319 28.415 28.738 -0.007 0.000 0.907 101 Q HN 0.611 nan 8.270 nan 0.000 0.418 102 N N 0.639 119.351 118.700 0.021 0.000 2.120 102 N HA -0.115 4.625 4.740 0.001 0.000 0.188 102 N C 1.824 177.362 175.510 0.047 0.000 1.024 102 N CA 1.020 54.091 53.050 0.036 0.000 0.852 102 N CB -0.239 38.271 38.487 0.039 0.000 1.003 102 N HN 0.224 nan 8.380 nan 0.000 0.424 103 L N 0.513 121.781 121.223 0.074 0.000 2.141 103 L HA -0.077 4.263 4.340 0.001 0.000 0.209 103 L C 2.332 179.253 176.870 0.086 0.000 1.094 103 L CA 0.531 55.446 54.840 0.126 0.000 0.763 103 L CB -0.282 41.904 42.059 0.212 0.000 0.908 103 L HN 0.164 nan 8.230 nan 0.000 0.437 104 L N -0.481 120.644 121.223 -0.163 0.000 2.044 104 L HA -0.162 4.178 4.340 0.001 0.000 0.205 104 L C 2.436 179.224 176.870 -0.138 0.000 1.075 104 L CA 1.139 55.651 54.840 -0.547 0.000 0.747 104 L CB 0.001 41.471 42.059 -0.982 0.000 0.903 104 L HN 0.148 nan 8.230 nan 0.000 0.435 105 L N -0.177 121.061 121.223 0.024 0.000 2.046 105 L HA -0.228 4.113 4.340 0.001 0.000 0.208 105 L C 2.616 179.652 176.870 0.277 0.000 1.077 105 L CA 1.442 56.429 54.840 0.245 0.000 0.747 105 L CB -0.525 41.646 42.059 0.187 0.000 0.896 105 L HN 0.213 nan 8.230 nan 0.000 0.432 106 K N -0.244 120.245 120.400 0.149 0.000 2.103 106 K HA -0.150 4.170 4.320 0.001 0.000 0.207 106 K C 2.276 178.935 176.600 0.099 0.000 1.048 106 K CA 1.602 57.967 56.287 0.130 0.000 0.930 106 K CB -0.229 32.324 32.500 0.088 0.000 0.716 106 K HN 0.133 nan 8.250 nan 0.000 0.444 107 S N 0.196 115.920 115.700 0.040 0.000 2.374 107 S HA -0.177 4.294 4.470 0.001 0.000 0.227 107 S C 1.799 176.412 174.600 0.022 0.000 1.037 107 S CA 1.372 59.580 58.200 0.014 0.000 1.024 107 S CB -0.314 62.759 63.200 -0.212 0.000 0.861 107 S HN 0.332 nan 8.310 nan 0.000 0.456 108 Y N -0.923 119.297 120.300 -0.132 0.000 2.231 108 Y HA 0.049 4.600 4.550 0.001 0.000 0.294 108 Y C 1.792 177.256 175.900 -0.726 0.000 1.120 108 Y CA 0.835 58.524 58.100 -0.685 0.000 1.141 108 Y CB -0.008 37.898 38.460 -0.922 0.000 1.022 108 Y HN 0.212 nan 8.280 nan 0.000 0.523 109 F N -1.057 118.961 119.950 0.112 0.000 2.622 109 F HA 0.068 4.596 4.527 0.001 0.000 0.288 109 F C 1.406 177.237 175.800 0.051 0.000 1.120 109 F CA -0.182 57.874 58.000 0.094 0.000 1.423 109 F CB -0.022 39.040 39.000 0.102 0.000 1.127 109 F HN -0.190 nan 8.300 nan 0.000 0.588 110 S N -0.093 115.712 115.700 0.176 0.000 2.669 110 S HA 0.121 4.591 4.470 0.001 0.000 0.270 110 S C 1.334 175.956 174.600 0.037 0.000 1.225 110 S CA 0.045 58.310 58.200 0.108 0.000 0.991 110 S CB 1.396 64.655 63.200 0.098 0.000 0.987 110 S HN 0.213 nan 8.310 nan 0.000 0.552 111 E N -1.206 119.008 120.200 0.022 0.000 2.268 111 E HA -0.041 4.310 4.350 0.001 0.000 0.195 111 E C 1.789 178.388 176.600 -0.002 0.000 0.995 111 E CA 1.248 57.634 56.400 -0.023 0.000 0.836 111 E CB -1.950 27.749 29.700 -0.000 0.000 0.763 111 E HN 1.002 nan 8.360 nan 0.000 0.491 112 E N 0.680 120.918 120.200 0.063 0.000 2.481 112 E HA 0.351 4.701 4.350 0.001 0.000 0.195 112 E C 1.378 178.114 176.600 0.225 0.000 1.047 112 E CA 0.757 57.241 56.400 0.141 0.000 0.867 112 E CB -0.336 29.428 29.700 0.106 0.000 0.858 112 E HN 0.676 nan 8.360 nan 0.000 0.513 113 G N 0.019 108.896 108.800 0.128 0.000 3.099 113 G HA2 0.434 4.394 3.960 0.001 0.000 0.151 113 G HA3 0.434 4.394 3.960 0.001 0.000 0.151 113 G C 0.911 175.766 174.900 -0.074 0.000 1.265 113 G CA 0.121 45.318 45.100 0.160 0.000 0.981 113 G HN 0.667 nan 8.290 nan 0.000 0.601 114 I N -2.033 118.436 120.570 -0.168 0.000 3.904 114 I HA 0.465 4.636 4.170 0.001 0.000 0.333 114 I C 1.226 177.166 176.117 -0.296 0.000 1.361 114 I CA 0.326 61.400 61.300 -0.376 0.000 1.116 114 I CB 0.207 37.896 38.000 -0.520 0.000 1.028 114 I HN 0.758 nan 8.210 nan 0.000 0.398 115 G N 1.329 110.020 108.800 -0.181 0.000 2.273 115 G HA2 -0.325 3.636 3.960 0.001 0.000 0.280 115 G HA3 -0.325 3.636 3.960 0.001 0.000 0.280 115 G C 0.059 175.012 174.900 0.090 0.000 1.047 115 G CA -0.058 45.005 45.100 -0.062 0.000 0.869 115 G HN 0.661 nan 8.290 nan 0.000 0.502 116 Y N 0.248 120.466 120.300 -0.136 0.000 2.805 116 Y HA -0.004 4.547 4.550 0.001 0.000 0.337 116 Y C 1.695 177.656 175.900 0.102 0.000 1.252 116 Y CA 0.594 58.634 58.100 -0.099 0.000 1.515 116 Y CB 0.503 38.671 38.460 -0.486 0.000 1.305 116 Y HN 0.487 nan 8.280 nan 0.000 0.600 117 N N 3.148 121.970 118.700 0.204 0.000 2.240 117 N HA 0.181 4.922 4.740 0.001 0.000 0.240 117 N C -0.932 174.624 175.510 0.076 0.000 1.277 117 N CA 0.156 53.298 53.050 0.153 0.000 0.873 117 N CB 0.358 38.880 38.487 0.058 0.000 1.222 117 N HN 0.478 nan 8.380 nan 0.000 0.507 118 I N 1.126 121.746 120.570 0.084 0.000 2.582 118 I HA 0.484 4.654 4.170 0.001 0.000 0.292 118 I C -0.921 175.276 176.117 0.134 0.000 1.066 118 I CA -0.852 60.486 61.300 0.063 0.000 1.053 118 I CB 2.486 40.511 38.000 0.042 0.000 1.241 118 I HN -0.147 nan 8.210 nan 0.000 0.421 119 I N 5.171 125.837 120.570 0.161 0.000 2.512 119 I HA 0.408 4.578 4.170 0.001 0.000 0.287 119 I C -0.379 175.865 176.117 0.212 0.000 1.069 119 I CA -0.567 60.843 61.300 0.182 0.000 1.056 119 I CB 2.118 40.205 38.000 0.145 0.000 1.229 119 I HN 0.520 nan 8.210 nan 0.000 0.429 120 R N 5.524 126.165 120.500 0.234 0.000 2.297 120 R HA 0.694 5.035 4.340 0.001 0.000 0.308 120 R C -1.505 174.983 176.300 0.314 0.000 1.029 120 R CA -0.359 55.922 56.100 0.302 0.000 0.929 120 R CB 1.393 31.884 30.300 0.319 0.000 1.046 120 R HN 0.455 nan 8.270 nan 0.000 0.461 121 V N 7.110 127.239 119.914 0.359 0.000 2.407 121 V HA 0.364 4.485 4.120 0.001 0.000 0.291 121 V C -2.255 174.009 176.094 0.283 0.000 1.018 121 V CA -2.195 60.307 62.300 0.337 0.000 0.842 121 V CB 1.673 33.766 31.823 0.450 0.000 0.996 121 V HN 0.845 nan 8.190 nan 0.000 0.426 122 P HA 0.283 nan 4.420 nan 0.000 0.271 122 P C -0.379 176.959 177.300 0.063 0.000 1.216 122 P CA -0.144 63.067 63.100 0.186 0.000 0.776 122 P CB 0.438 32.074 31.700 -0.106 0.000 0.881 123 M N 3.154 122.717 119.600 -0.062 0.000 2.319 123 M HA 0.446 4.927 4.480 0.001 0.000 0.343 123 M C 0.678 176.862 176.300 -0.194 0.000 1.364 123 M CA 0.239 55.391 55.300 -0.247 0.000 1.292 123 M CB -0.578 31.677 32.600 -0.575 0.000 1.432 123 M HN 0.591 nan 8.290 nan 0.000 0.448 124 A N 1.780 124.414 122.820 -0.310 0.000 5.939 124 A HA -0.149 4.172 4.320 0.001 0.000 0.250 124 A C 0.227 177.498 177.584 -0.520 0.000 2.234 124 A CA 0.257 51.925 52.037 -0.615 0.000 0.707 124 A CB -1.709 16.754 19.000 -0.895 0.000 1.007 124 A HN 0.898 nan 8.150 nan 0.000 0.351 125 S N -0.267 114.894 115.700 -0.899 0.000 2.610 125 S HA 0.694 5.164 4.470 0.001 0.000 0.273 125 S C 0.497 174.842 174.600 -0.424 0.000 1.274 125 S CA 0.215 57.973 58.200 -0.736 0.000 1.023 125 S CB 0.834 63.411 63.200 -1.038 0.000 0.962 125 S HN 2.521 nan 8.310 nan 0.000 0.523 126 C N 0.370 119.442 119.300 -0.380 0.000 3.312 126 C HA 0.657 5.117 4.460 0.001 0.000 0.368 126 C C 1.332 176.311 174.990 -0.017 0.000 2.465 126 C CA 0.016 58.764 59.018 -0.449 0.000 1.359 126 C CB 0.447 27.326 27.740 -1.436 0.000 2.896 126 C HN 0.868 nan 8.230 nan 0.000 0.470 127 D N 0.549 120.888 120.400 -0.101 0.000 2.224 127 D HA -0.091 4.549 4.640 0.001 0.000 0.205 127 D C 0.676 176.777 176.300 -0.332 0.000 0.965 127 D CA 1.029 54.823 54.000 -0.343 0.000 0.852 127 D CB -0.493 39.586 40.800 -1.203 0.000 0.947 127 D HN 0.573 nan 8.370 nan 0.000 0.494 128 F N 1.341 121.235 119.950 -0.093 0.000 2.833 128 F HA 0.280 4.807 4.527 0.001 0.000 0.327 128 F C 0.392 176.160 175.800 -0.053 0.000 1.184 128 F CA -0.038 57.905 58.000 -0.094 0.000 1.328 128 F CB 0.032 38.885 39.000 -0.245 0.000 1.440 128 F HN -0.259 nan 8.300 nan 0.000 0.569 129 S N 0.282 116.049 115.700 0.113 0.000 2.599 129 S HA 0.456 4.927 4.470 0.001 0.000 0.287 129 S C 0.980 175.678 174.600 0.163 0.000 1.105 129 S CA -0.735 57.540 58.200 0.124 0.000 0.899 129 S CB 1.748 64.981 63.200 0.054 0.000 1.100 129 S HN 0.398 nan 8.310 nan 0.000 0.482 130 I N -0.656 119.992 120.570 0.129 0.000 3.603 130 I HA 0.338 4.509 4.170 0.001 0.000 0.297 130 I C 0.524 176.678 176.117 0.061 0.000 1.269 130 I CA 0.002 61.374 61.300 0.121 0.000 1.361 130 I CB -0.031 38.024 38.000 0.091 0.000 1.063 130 I HN 0.449 nan 8.210 nan 0.000 0.448 131 R N 1.145 121.648 120.500 0.005 0.000 2.836 131 R HA 0.538 4.879 4.340 0.001 0.000 0.269 131 R C -0.682 175.465 176.300 -0.256 0.000 1.010 131 R CA -0.498 55.528 56.100 -0.122 0.000 0.930 131 R CB 0.788 31.075 30.300 -0.022 0.000 1.218 131 R HN 0.088 nan 8.270 nan 0.000 0.473 132 T N -0.422 113.851 114.554 -0.470 0.000 2.856 132 T HA 0.550 4.901 4.350 0.001 0.000 0.292 132 T C -0.521 174.083 174.700 -0.159 0.000 0.980 132 T CA -0.467 61.329 62.100 -0.507 0.000 1.091 132 T CB 0.380 68.829 68.868 -0.697 0.000 0.936 132 T HN 0.664 nan 8.240 nan 0.000 0.503 133 Y N -0.875 119.290 120.300 -0.224 0.000 2.620 133 Y HA 0.653 5.204 4.550 0.001 0.000 0.331 133 Y C -0.466 175.335 175.900 -0.165 0.000 1.173 133 Y CA -1.107 56.901 58.100 -0.153 0.000 1.076 133 Y CB 0.665 39.053 38.460 -0.120 0.000 1.336 133 Y HN 0.955 nan 8.280 nan 0.000 0.459 134 T N -2.208 112.333 114.554 -0.022 0.000 2.807 134 T HA 0.420 4.771 4.350 0.001 0.000 0.277 134 T C -0.170 174.562 174.700 0.053 0.000 1.006 134 T CA -0.639 61.402 62.100 -0.100 0.000 1.006 134 T CB 0.942 69.796 68.868 -0.024 0.000 1.274 134 T HN 0.769 nan 8.240 nan 0.000 0.569 135 Y N -0.078 120.319 120.300 0.161 0.000 2.544 135 Y HA 0.446 4.997 4.550 0.001 0.000 0.286 135 Y C 1.633 177.391 175.900 -0.237 0.000 1.141 135 Y CA -0.104 57.811 58.100 -0.308 0.000 1.299 135 Y CB 0.315 38.067 38.460 -1.181 0.000 1.030 135 Y HN 0.756 nan 8.280 nan 0.000 0.543 136 A N -0.297 122.712 122.820 0.315 0.000 3.370 136 A HA 0.265 4.586 4.320 0.001 0.000 0.295 136 A C -0.306 177.575 177.584 0.495 0.000 1.030 136 A CA -0.478 51.817 52.037 0.429 0.000 0.883 136 A CB -0.161 19.258 19.000 0.698 0.000 1.191 136 A HN 0.105 nan 8.150 nan 0.000 0.507 137 D N 0.497 121.092 120.400 0.325 0.000 2.347 137 D HA 0.012 4.653 4.640 0.001 0.000 0.213 137 D C 0.407 176.850 176.300 0.237 0.000 0.985 137 D CA 0.948 55.131 54.000 0.304 0.000 0.879 137 D CB 0.313 41.214 40.800 0.169 0.000 0.919 137 D HN 0.425 nan 8.370 nan 0.000 0.526 138 T N 3.488 118.127 114.554 0.142 0.000 2.817 138 T HA 0.156 4.507 4.350 0.001 0.000 0.295 138 T C -2.413 172.062 174.700 -0.375 0.000 0.958 138 T CA -1.049 61.023 62.100 -0.047 0.000 1.157 138 T CB 1.188 70.034 68.868 -0.037 0.000 0.898 138 T HN -0.035 nan 8.240 nan 0.000 0.536 139 P HA 0.187 nan 4.420 nan 0.000 0.271 139 P C 0.126 176.763 177.300 -1.104 0.000 1.216 139 P CA 0.034 62.615 63.100 -0.865 0.000 0.771 139 P CB 0.305 31.831 31.700 -0.289 0.000 0.864 140 D N -0.142 119.163 120.400 -1.824 0.000 3.041 140 D HA -0.179 4.461 4.640 0.001 0.000 0.220 140 D C 0.014 175.696 176.300 -1.031 0.000 1.157 140 D CA 0.978 54.266 54.000 -1.186 0.000 0.876 140 D CB -1.726 38.907 40.800 -0.278 0.000 1.107 140 D HN 0.461 nan 8.370 nan 0.000 0.422 141 D N -0.559 119.011 120.400 -1.384 0.000 2.885 141 D HA 0.052 4.692 4.640 0.001 0.000 0.234 141 D C 1.159 177.322 176.300 -0.229 0.000 1.129 141 D CA -0.165 53.500 54.000 -0.559 0.000 0.991 141 D CB -0.909 39.714 40.800 -0.295 0.000 1.137 141 D HN 0.201 nan 8.370 nan 0.000 0.459 142 F N 0.248 120.188 119.950 -0.018 0.000 2.250 142 F HA -0.162 4.365 4.527 0.001 0.000 0.301 142 F C 2.337 178.213 175.800 0.126 0.000 1.077 142 F CA 0.922 59.047 58.000 0.208 0.000 1.348 142 F CB -0.135 38.938 39.000 0.123 0.000 1.040 142 F HN 0.255 nan 8.300 nan 0.000 0.509 143 Q N -0.071 119.793 119.800 0.107 0.000 2.369 143 Q HA -0.003 4.338 4.340 0.001 0.000 0.206 143 Q C 0.878 176.878 176.000 -0.001 0.000 0.963 143 Q CA 0.422 56.169 55.803 -0.093 0.000 0.894 143 Q CB 0.043 28.423 28.738 -0.598 0.000 0.965 143 Q HN 0.392 nan 8.270 nan 0.000 0.475 144 L N 0.728 122.042 121.223 0.151 0.000 3.717 144 L HA -0.306 4.034 4.340 0.001 0.000 0.414 144 L C 0.597 177.644 176.870 0.294 0.000 1.228 144 L CA -0.212 54.807 54.840 0.297 0.000 0.918 144 L CB -1.652 40.615 42.059 0.347 0.000 1.865 144 L HN 0.408 nan 8.230 nan 0.000 0.922 145 H N -0.488 118.687 119.070 0.175 0.000 2.421 145 H HA -0.034 4.523 4.556 0.001 0.000 0.298 145 H C 1.745 177.164 175.328 0.151 0.000 1.087 145 H CA 1.922 58.050 56.048 0.134 0.000 1.330 145 H CB 0.025 29.841 29.762 0.089 0.000 1.388 145 H HN 0.487 nan 8.280 nan 0.000 0.526 146 N N -0.197 118.682 118.700 0.298 0.000 2.279 146 N HA 0.045 4.786 4.740 0.001 0.000 0.226 146 N C -0.669 175.002 175.510 0.269 0.000 1.126 146 N CA -0.277 52.910 53.050 0.229 0.000 0.846 146 N CB 0.003 38.585 38.487 0.158 0.000 1.050 146 N HN 0.063 nan 8.380 nan 0.000 0.502 147 F N 1.840 121.892 119.950 0.170 0.000 2.543 147 F HA 0.242 4.770 4.527 0.001 0.000 0.375 147 F C 0.433 176.292 175.800 0.099 0.000 1.075 147 F CA -0.061 58.031 58.000 0.152 0.000 1.225 147 F CB 0.369 39.432 39.000 0.105 0.000 1.099 147 F HN -0.016 nan 8.300 nan 0.000 0.561 148 S N 6.363 121.926 115.700 -0.228 0.000 2.552 148 S HA 0.481 4.952 4.470 0.001 0.000 0.272 148 S C -1.419 173.073 174.600 -0.181 0.000 1.150 148 S CA -1.224 56.931 58.200 -0.075 0.000 0.849 148 S CB 0.922 64.155 63.200 0.056 0.000 1.113 148 S HN 0.709 nan 8.310 nan 0.000 0.458 149 L N 2.990 124.151 121.223 -0.102 0.000 2.360 149 L HA 0.430 4.771 4.340 0.001 0.000 0.276 149 L C -1.631 175.244 176.870 0.008 0.000 1.121 149 L CA -1.473 53.336 54.840 -0.052 0.000 0.845 149 L CB 0.238 42.236 42.059 -0.101 0.000 1.143 149 L HN 0.620 nan 8.230 nan 0.000 0.452 150 P HA 0.155 nan 4.420 nan 0.000 0.293 150 P C 0.138 177.389 177.300 -0.080 0.000 1.304 150 P CA -0.490 62.562 63.100 -0.080 0.000 0.767 150 P CB 0.809 32.351 31.700 -0.264 0.000 1.247 151 E N -0.335 119.803 120.200 -0.104 0.000 2.204 151 E HA -0.181 4.170 4.350 0.001 0.000 0.194 151 E C 1.601 178.163 176.600 -0.064 0.000 0.989 151 E CA 1.006 57.363 56.400 -0.073 0.000 0.824 151 E CB -0.187 29.474 29.700 -0.065 0.000 0.756 151 E HN 0.458 nan 8.360 nan 0.000 0.477 152 E N 1.134 121.274 120.200 -0.100 0.000 2.114 152 E HA -0.220 4.130 4.350 0.001 0.000 0.199 152 E C 1.329 177.962 176.600 0.055 0.000 1.008 152 E CA 1.875 58.261 56.400 -0.024 0.000 0.810 152 E CB -0.057 29.626 29.700 -0.028 0.000 0.739 152 E HN 0.315 nan 8.360 nan 0.000 0.456 153 D N -1.581 118.859 120.400 0.066 0.000 2.202 153 D HA -0.060 4.581 4.640 0.001 0.000 0.214 153 D C 1.995 178.239 176.300 -0.093 0.000 0.967 153 D CA 1.768 55.811 54.000 0.070 0.000 0.871 153 D CB -0.230 40.653 40.800 0.137 0.000 1.020 153 D HN 0.257 nan 8.370 nan 0.000 0.474 154 T N -1.251 113.226 114.554 -0.129 0.000 2.942 154 T HA 0.017 4.367 4.350 0.001 0.000 0.265 154 T C 1.575 176.235 174.700 -0.067 0.000 1.062 154 T CA 0.688 62.686 62.100 -0.169 0.000 1.139 154 T CB 0.021 68.832 68.868 -0.095 0.000 0.883 154 T HN -0.010 nan 8.240 nan 0.000 0.468 155 K N 0.202 120.579 120.400 -0.038 0.000 2.348 155 K HA 0.383 4.703 4.320 0.001 0.000 0.194 155 K C 1.750 178.347 176.600 -0.004 0.000 1.052 155 K CA 0.130 56.409 56.287 -0.014 0.000 1.004 155 K CB 0.348 32.840 32.500 -0.013 0.000 0.873 155 K HN 0.355 nan 8.250 nan 0.000 0.523 156 L N 0.211 121.434 121.223 0.000 0.000 2.630 156 L HA 0.106 4.447 4.340 0.001 0.000 0.180 156 L C 2.047 178.935 176.870 0.029 0.000 1.221 156 L CA 0.258 55.109 54.840 0.017 0.000 0.853 156 L CB -0.408 41.666 42.059 0.025 0.000 1.172 156 L HN -0.143 nan 8.230 nan 0.000 0.508 157 K N 0.803 121.235 120.400 0.053 0.000 2.002 157 K HA -0.063 4.257 4.320 0.001 0.000 0.209 157 K C 2.046 178.675 176.600 0.049 0.000 1.048 157 K CA 1.460 57.798 56.287 0.084 0.000 0.930 157 K CB -0.209 32.397 32.500 0.177 0.000 0.714 157 K HN 0.150 nan 8.250 nan 0.000 0.438 158 I N 0.998 121.561 120.570 -0.012 0.000 2.163 158 I HA -0.214 3.957 4.170 0.001 0.000 0.243 158 I C -0.947 175.174 176.117 0.007 0.000 1.085 158 I CA 1.250 62.493 61.300 -0.095 0.000 1.347 158 I CB -0.946 36.874 38.000 -0.301 0.000 1.044 158 I HN 0.085 nan 8.210 nan 0.000 0.408 159 P HA -0.123 nan 4.420 nan 0.000 0.218 159 P C 1.899 179.236 177.300 0.063 0.000 1.149 159 P CA 1.331 64.490 63.100 0.098 0.000 0.817 159 P CB 0.055 31.785 31.700 0.051 0.000 0.785 160 L N -1.479 119.758 121.223 0.023 0.000 2.072 160 L HA -0.119 4.222 4.340 0.001 0.000 0.205 160 L C 2.362 179.202 176.870 -0.051 0.000 1.079 160 L CA 1.228 56.069 54.840 0.001 0.000 0.752 160 L CB -0.759 41.307 42.059 0.012 0.000 0.906 160 L HN -0.082 nan 8.230 nan 0.000 0.436 161 I N -0.968 119.558 120.570 -0.073 0.000 2.208 161 I HA -0.342 3.829 4.170 0.001 0.000 0.245 161 I C 2.668 178.658 176.117 -0.213 0.000 1.097 161 I CA 1.115 62.316 61.300 -0.166 0.000 1.363 161 I CB -0.547 37.365 38.000 -0.146 0.000 1.051 161 I HN 0.308 nan 8.210 nan 0.000 0.413 162 H N 0.879 119.902 119.070 -0.078 0.000 2.289 162 H HA -0.217 4.339 4.556 0.001 0.000 0.296 162 H C 2.638 177.913 175.328 -0.087 0.000 1.091 162 H CA 2.343 58.346 56.048 -0.074 0.000 1.274 162 H CB -0.462 29.272 29.762 -0.047 0.000 1.364 162 H HN 0.355 nan 8.280 nan 0.000 0.490 163 R N 1.254 121.784 120.500 0.049 0.000 2.083 163 R HA 0.020 4.360 4.340 0.001 0.000 0.237 163 R C 2.571 178.829 176.300 -0.071 0.000 1.137 163 R CA 1.713 57.813 56.100 0.001 0.000 0.951 163 R CB -1.459 28.845 30.300 0.008 0.000 0.851 163 R HN 0.473 nan 8.270 nan 0.000 0.434 164 A N 1.057 123.761 122.820 -0.193 0.000 1.908 164 A HA -0.029 4.291 4.320 0.001 0.000 0.218 164 A C 2.514 179.881 177.584 -0.361 0.000 1.181 164 A CA 1.583 53.342 52.037 -0.463 0.000 0.627 164 A CB -0.387 17.930 19.000 -1.138 0.000 0.818 164 A HN 0.491 nan 8.150 nan 0.000 0.445 165 L N -1.189 119.887 121.223 -0.244 0.000 2.083 165 L HA -0.250 4.091 4.340 0.001 0.000 0.209 165 L C 2.843 179.686 176.870 -0.044 0.000 1.083 165 L CA 1.599 56.362 54.840 -0.129 0.000 0.752 165 L CB -0.678 41.330 42.059 -0.086 0.000 0.899 165 L HN 0.481 nan 8.230 nan 0.000 0.433 166 Q N -0.027 119.762 119.800 -0.019 0.000 2.124 166 Q HA -0.151 4.190 4.340 0.001 0.000 0.202 166 Q C 2.232 178.240 176.000 0.014 0.000 0.977 166 Q CA 1.234 57.040 55.803 0.005 0.000 0.850 166 Q CB -0.062 28.683 28.738 0.011 0.000 0.901 166 Q HN 0.513 nan 8.270 nan 0.000 0.429 167 L N 0.011 121.243 121.223 0.016 0.000 2.418 167 L HA 0.125 4.465 4.340 0.001 0.000 0.218 167 L C 0.784 177.705 176.870 0.084 0.000 1.125 167 L CA -0.515 54.358 54.840 0.056 0.000 0.835 167 L CB -0.122 41.989 42.059 0.086 0.000 0.953 167 L HN 0.021 nan 8.230 nan 0.000 0.454 168 A N 0.355 123.216 122.820 0.069 0.000 2.488 168 A HA 0.073 4.393 4.320 0.001 0.000 0.249 168 A C 1.273 178.905 177.584 0.080 0.000 1.083 168 A CA -0.154 51.951 52.037 0.113 0.000 0.768 168 A CB 0.573 19.631 19.000 0.096 0.000 1.017 168 A HN 0.421 nan 8.150 nan 0.000 0.496 169 Q N 2.703 122.557 119.800 0.091 0.000 2.020 169 Q HA -0.123 4.218 4.340 0.001 0.000 0.202 169 Q C 0.533 176.559 176.000 0.043 0.000 0.982 169 Q CA 1.616 57.452 55.803 0.055 0.000 0.838 169 Q CB -0.017 28.744 28.738 0.038 0.000 0.899 169 Q HN 0.769 nan 8.270 nan 0.000 0.423 170 R N 0.594 121.126 120.500 0.053 0.000 2.828 170 R HA 0.497 4.837 4.340 0.001 0.000 0.264 170 R C -2.529 173.790 176.300 0.032 0.000 1.022 170 R CA -2.476 53.644 56.100 0.034 0.000 1.021 170 R CB 0.869 31.188 30.300 0.032 0.000 1.163 170 R HN 0.149 nan 8.270 nan 0.000 0.494 171 P HA 0.021 nan 4.420 nan 0.000 0.267 171 P C -0.891 176.399 177.300 -0.016 0.000 1.205 171 P CA -0.091 63.004 63.100 -0.009 0.000 0.765 171 P CB 0.541 32.225 31.700 -0.026 0.000 0.828 172 V N 3.321 123.225 119.914 -0.017 0.000 2.435 172 V HA 0.287 4.408 4.120 0.001 0.000 0.290 172 V C 0.325 176.390 176.094 -0.049 0.000 1.030 172 V CA -0.233 62.062 62.300 -0.009 0.000 0.881 172 V CB 1.692 33.513 31.823 -0.003 0.000 0.983 172 V HN 0.475 nan 8.190 nan 0.000 0.445 173 S N 5.550 121.209 115.700 -0.068 0.000 2.462 173 S HA 0.662 5.132 4.470 0.001 0.000 0.294 173 S C -0.408 174.235 174.600 0.071 0.000 1.144 173 S CA -0.483 57.692 58.200 -0.041 0.000 1.088 173 S CB 0.855 63.877 63.200 -0.298 0.000 1.009 173 S HN 0.481 nan 8.310 nan 0.000 0.484 174 L N 3.422 124.684 121.223 0.065 0.000 2.325 174 L HA 0.637 4.978 4.340 0.001 0.000 0.279 174 L C -0.711 176.368 176.870 0.349 0.000 1.054 174 L CA -0.903 53.944 54.840 0.011 0.000 0.804 174 L CB 1.143 42.824 42.059 -0.630 0.000 1.200 174 L HN 0.430 nan 8.230 nan 0.000 0.436 175 L N 2.926 124.423 121.223 0.456 0.000 2.409 175 L HA 0.806 5.146 4.340 0.001 0.000 0.272 175 L C -0.608 176.518 176.870 0.427 0.000 0.980 175 L CA -0.151 54.943 54.840 0.424 0.000 0.826 175 L CB 1.635 43.903 42.059 0.348 0.000 1.268 175 L HN 0.634 nan 8.230 nan 0.000 0.407 176 A N 3.219 126.180 122.820 0.234 0.000 2.324 176 A HA 0.932 5.252 4.320 0.001 0.000 0.330 176 A C -0.685 176.889 177.584 -0.016 0.000 1.165 176 A CA -0.406 51.623 52.037 -0.013 0.000 0.813 176 A CB 1.043 19.746 19.000 -0.495 0.000 1.197 176 A HN 0.751 nan 8.150 nan 0.000 0.484 177 S N 2.524 118.250 115.700 0.042 0.000 2.548 177 S HA 0.736 5.206 4.470 0.001 0.000 0.276 177 S C -3.102 171.585 174.600 0.145 0.000 1.129 177 S CA -0.939 57.297 58.200 0.060 0.000 0.931 177 S CB 2.275 65.507 63.200 0.054 0.000 1.068 177 S HN 0.645 nan 8.310 nan 0.000 0.480 178 P HA 0.354 nan 4.420 nan 0.000 0.290 178 P C 0.018 177.511 177.300 0.321 0.000 1.283 178 P CA -0.753 62.468 63.100 0.201 0.000 0.869 178 P CB 1.284 33.039 31.700 0.090 0.000 1.100 179 W N 0.298 121.613 121.300 0.024 0.000 2.633 179 W HA 0.045 4.705 4.660 0.001 0.000 0.295 179 W C 0.810 177.314 176.519 -0.024 0.000 1.133 179 W CA 0.692 58.065 57.345 0.047 0.000 1.490 179 W CB 0.164 29.694 29.460 0.116 0.000 1.127 179 W HN 0.242 nan 8.180 nan 0.000 0.538 180 T N 0.079 114.717 114.554 0.140 0.000 2.916 180 T HA 0.328 4.678 4.350 0.001 0.000 0.292 180 T C -0.035 174.434 174.700 -0.384 0.000 1.055 180 T CA -0.459 61.556 62.100 -0.141 0.000 1.009 180 T CB 1.535 70.322 68.868 -0.137 0.000 1.118 180 T HN -0.042 nan 8.240 nan 0.000 0.497 181 S N 3.451 118.638 115.700 -0.855 0.000 2.645 181 S HA 0.601 5.072 4.470 0.001 0.000 0.266 181 S C -2.660 171.495 174.600 -0.743 0.000 1.258 181 S CA -1.129 56.301 58.200 -1.284 0.000 0.990 181 S CB 0.168 62.291 63.200 -1.795 0.000 0.967 181 S HN 0.533 nan 8.310 nan 0.000 0.556 182 P HA 0.033 nan 4.420 nan 0.000 0.266 182 P C 1.151 178.026 177.300 -0.709 0.000 1.186 182 P CA 0.264 62.997 63.100 -0.612 0.000 0.767 182 P CB 0.207 31.337 31.700 -0.951 0.000 0.820 183 T N -1.502 112.805 114.554 -0.412 0.000 2.995 183 T HA -0.102 4.249 4.350 0.001 0.000 0.269 183 T C 1.250 175.816 174.700 -0.224 0.000 1.091 183 T CA 0.475 62.408 62.100 -0.279 0.000 1.128 183 T CB -0.654 68.148 68.868 -0.110 0.000 0.891 183 T HN 0.562 nan 8.240 nan 0.000 0.492 184 W N 1.056 122.285 121.300 -0.119 0.000 3.077 184 W HA 0.344 5.005 4.660 0.001 0.000 0.245 184 W C 0.706 177.179 176.519 -0.076 0.000 1.316 184 W CA -0.465 56.828 57.345 -0.086 0.000 1.537 184 W CB -0.859 28.548 29.460 -0.087 0.000 1.131 184 W HN 0.267 nan 8.180 nan 0.000 0.695 185 L N 0.738 121.630 121.223 -0.551 0.000 2.607 185 L HA 0.200 4.540 4.340 0.001 0.000 0.228 185 L C 0.694 177.299 176.870 -0.441 0.000 1.123 185 L CA 0.521 55.103 54.840 -0.430 0.000 0.890 185 L CB -0.163 41.497 42.059 -0.664 0.000 1.103 185 L HN -0.280 nan 8.230 nan 0.000 0.468 186 K N -0.380 119.783 120.400 -0.394 0.000 2.164 186 K HA 0.224 4.545 4.320 0.001 0.000 0.258 186 K C 1.224 177.658 176.600 -0.277 0.000 0.951 186 K CA -0.020 56.042 56.287 -0.374 0.000 0.844 186 K CB 1.803 34.090 32.500 -0.355 0.000 1.099 186 K HN -0.061 nan 8.250 nan 0.000 0.435 187 T N -1.316 113.075 114.554 -0.273 0.000 2.778 187 T HA -0.204 4.147 4.350 0.001 0.000 0.269 187 T C 1.189 175.803 174.700 -0.143 0.000 1.050 187 T CA 1.726 63.705 62.100 -0.203 0.000 1.137 187 T CB -0.255 68.502 68.868 -0.184 0.000 0.860 187 T HN 0.689 nan 8.240 nan 0.000 0.468 188 N N 1.132 119.747 118.700 -0.142 0.000 2.236 188 N HA 0.192 4.932 4.740 0.001 0.000 0.196 188 N C 1.476 176.937 175.510 -0.082 0.000 1.114 188 N CA 0.538 53.529 53.050 -0.098 0.000 0.859 188 N CB -0.396 38.036 38.487 -0.092 0.000 0.982 188 N HN 0.634 nan 8.380 nan 0.000 0.493 189 G N -0.270 108.471 108.800 -0.098 0.000 2.258 189 G HA2 -0.083 3.877 3.960 0.001 0.000 0.274 189 G HA3 -0.083 3.877 3.960 0.001 0.000 0.274 189 G C 0.091 174.954 174.900 -0.062 0.000 1.021 189 G CA 0.624 45.684 45.100 -0.066 0.000 0.798 189 G HN 0.916 nan 8.290 nan 0.000 0.507 190 A N -1.798 120.971 122.820 -0.086 0.000 2.566 190 A HA 0.883 5.203 4.320 0.001 0.000 0.292 190 A C 1.199 178.732 177.584 -0.084 0.000 1.112 190 A CA 0.325 52.325 52.037 -0.062 0.000 0.707 190 A CB 1.083 20.066 19.000 -0.029 0.000 1.302 190 A HN 1.477 nan 8.150 nan 0.000 0.409 191 V N -1.043 118.837 119.914 -0.056 0.000 2.719 191 V HA 0.075 4.196 4.120 0.001 0.000 0.252 191 V C 0.632 176.738 176.094 0.020 0.000 1.065 191 V CA 1.709 63.976 62.300 -0.055 0.000 1.086 191 V CB -1.471 30.314 31.823 -0.063 0.000 0.700 191 V HN 0.924 nan 8.190 nan 0.000 0.467 192 N N 0.377 119.118 118.700 0.068 0.000 2.989 192 N HA 0.676 5.417 4.740 0.001 0.000 0.338 192 N C 0.395 175.926 175.510 0.035 0.000 1.369 192 N CA 0.188 53.298 53.050 0.099 0.000 0.794 192 N CB 0.699 39.296 38.487 0.184 0.000 1.359 192 N HN 0.932 nan 8.380 nan 0.000 0.609 193 G N -0.645 108.185 108.800 0.050 0.000 2.796 193 G HA2 -0.183 3.778 3.960 0.001 0.000 0.571 193 G HA3 -0.183 3.778 3.960 0.001 0.000 0.571 193 G C -0.946 173.943 174.900 -0.019 0.000 1.370 193 G CA -0.202 44.908 45.100 0.017 0.000 0.856 193 G HN 0.886 nan 8.290 nan 0.000 0.538 194 K N 0.438 120.817 120.400 -0.034 0.000 2.349 194 K HA 0.568 4.889 4.320 0.001 0.000 0.288 194 K C 0.562 177.101 176.600 -0.102 0.000 1.058 194 K CA 0.489 56.734 56.287 -0.069 0.000 0.953 194 K CB 0.117 32.586 32.500 -0.053 0.000 0.997 194 K HN 1.921 nan 8.250 nan 0.000 0.477 195 G N 1.546 110.258 108.800 -0.147 0.000 2.377 195 G HA2 0.300 4.261 3.960 0.001 0.000 0.297 195 G HA3 0.300 4.261 3.960 0.001 0.000 0.297 195 G C -1.487 173.252 174.900 -0.269 0.000 1.547 195 G CA -0.501 44.488 45.100 -0.186 0.000 0.833 195 G HN 0.690 nan 8.290 nan 0.000 0.583 196 S N -0.391 115.125 115.700 -0.305 0.000 2.732 196 S HA 0.802 5.272 4.470 0.001 0.000 0.293 196 S C -0.163 174.161 174.600 -0.460 0.000 1.159 196 S CA -0.996 56.944 58.200 -0.433 0.000 0.847 196 S CB 1.150 64.145 63.200 -0.342 0.000 1.169 196 S HN 0.861 nan 8.310 nan 0.000 0.501 197 L N 1.504 122.376 121.223 -0.584 0.000 2.514 197 L HA 0.181 4.522 4.340 0.001 0.000 0.280 197 L C 0.704 177.357 176.870 -0.361 0.000 1.223 197 L CA 0.008 54.513 54.840 -0.559 0.000 0.864 197 L CB 0.095 41.687 42.059 -0.778 0.000 1.118 197 L HN 0.678 nan 8.230 nan 0.000 0.494 198 K N 1.773 121.868 120.400 -0.508 0.000 2.276 198 K HA 0.393 4.713 4.320 0.001 0.000 0.259 198 K C 0.715 177.158 176.600 -0.261 0.000 1.001 198 K CA 0.598 56.540 56.287 -0.576 0.000 0.927 198 K CB 0.604 32.364 32.500 -1.235 0.000 0.969 198 K HN 0.818 nan 8.250 nan 0.000 0.490 199 G N 0.784 109.528 108.800 -0.093 0.000 2.525 199 G HA2 -0.285 3.675 3.960 0.001 0.000 0.248 199 G HA3 -0.285 3.675 3.960 0.001 0.000 0.248 199 G C -1.066 173.896 174.900 0.102 0.000 1.238 199 G CA 0.175 45.355 45.100 0.134 0.000 0.926 199 G HN 0.718 nan 8.290 nan 0.000 0.574 200 Q N -0.829 119.010 119.800 0.065 0.000 2.456 200 Q HA 0.705 5.046 4.340 0.001 0.000 0.283 200 Q C -3.128 172.539 176.000 -0.555 0.000 1.084 200 Q CA -2.127 53.540 55.803 -0.227 0.000 0.801 200 Q CB 2.647 31.290 28.738 -0.158 0.000 1.434 200 Q HN 0.442 nan 8.270 nan 0.000 0.419 201 P HA 0.032 nan 4.420 nan 0.000 0.266 201 P C 0.565 177.785 177.300 -0.133 0.000 1.193 201 P CA 1.822 64.595 63.100 -0.545 0.000 0.770 201 P CB 0.393 32.036 31.700 -0.096 0.000 0.836 202 G N 0.801 109.627 108.800 0.043 0.000 2.234 202 G HA2 -0.185 3.776 3.960 0.001 0.000 0.235 202 G HA3 -0.185 3.776 3.960 0.001 0.000 0.235 202 G C 0.127 175.083 174.900 0.093 0.000 0.997 202 G CA 0.367 45.504 45.100 0.062 0.000 0.623 202 G HN 0.734 nan 8.290 nan 0.000 0.514 203 D N -0.146 120.339 120.400 0.142 0.000 2.529 203 D HA 0.505 5.145 4.640 0.001 0.000 0.273 203 D C 1.778 178.178 176.300 0.167 0.000 1.197 203 D CA -0.476 53.610 54.000 0.144 0.000 1.070 203 D CB 0.242 41.137 40.800 0.159 0.000 1.134 203 D HN 0.230 nan 8.370 nan 0.000 0.590 204 I N -0.758 119.818 120.570 0.009 0.000 2.286 204 I HA -0.279 3.892 4.170 0.001 0.000 0.248 204 I C 1.603 177.768 176.117 0.080 0.000 1.115 204 I CA 1.069 62.321 61.300 -0.080 0.000 1.392 204 I CB -0.080 37.671 38.000 -0.414 0.000 1.065 204 I HN 0.329 nan 8.210 nan 0.000 0.418 205 Y N 0.042 120.511 120.300 0.282 0.000 2.145 205 Y HA -0.296 4.254 4.550 0.001 0.000 0.286 205 Y C 2.562 178.592 175.900 0.215 0.000 1.145 205 Y CA 1.996 60.273 58.100 0.294 0.000 1.148 205 Y CB -0.827 37.726 38.460 0.154 0.000 0.981 205 Y HN 0.248 nan 8.280 nan 0.000 0.507 206 H N -0.690 118.628 119.070 0.413 0.000 2.357 206 H HA -0.162 4.394 4.556 0.001 0.000 0.301 206 H C 2.248 177.868 175.328 0.486 0.000 1.082 206 H CA 1.709 58.028 56.048 0.452 0.000 1.342 206 H CB -0.240 29.782 29.762 0.433 0.000 1.389 206 H HN 0.362 nan 8.280 nan 0.000 0.511 207 Q N 0.289 120.355 119.800 0.443 0.000 2.061 207 Q HA -0.181 4.160 4.340 0.001 0.000 0.204 207 Q C 1.687 177.889 176.000 0.337 0.000 0.984 207 Q CA 2.225 58.216 55.803 0.314 0.000 0.846 207 Q CB -0.060 28.806 28.738 0.213 0.000 0.902 207 Q HN 0.424 nan 8.270 nan 0.000 0.421 208 T N 0.506 115.295 114.554 0.391 0.000 2.720 208 T HA -0.202 4.149 4.350 0.001 0.000 0.268 208 T C 1.130 176.128 174.700 0.496 0.000 1.037 208 T CA 1.326 63.690 62.100 0.440 0.000 1.144 208 T CB -0.602 68.594 68.868 0.546 0.000 0.864 208 T HN 0.524 nan 8.240 nan 0.000 0.444 209 W N 1.678 123.130 121.300 0.254 0.000 2.358 209 W HA -0.129 4.531 4.660 0.001 0.000 0.303 209 W C 2.575 179.403 176.519 0.514 0.000 1.208 209 W CA 0.822 58.319 57.345 0.252 0.000 1.274 209 W CB -0.238 29.259 29.460 0.061 0.000 1.138 209 W HN 0.299 nan 8.180 nan 0.000 0.515 210 A N 1.119 124.206 122.820 0.446 0.000 1.908 210 A HA -0.233 4.087 4.320 0.001 0.000 0.218 210 A C 1.962 179.646 177.584 0.167 0.000 1.181 210 A CA 1.803 53.937 52.037 0.161 0.000 0.627 210 A CB -0.956 18.055 19.000 0.019 0.000 0.818 210 A HN 0.367 nan 8.150 nan 0.000 0.445 211 R N -2.370 118.263 120.500 0.220 0.000 2.120 211 R HA -0.145 4.196 4.340 0.001 0.000 0.234 211 R C 2.070 178.478 176.300 0.181 0.000 1.123 211 R CA 1.499 57.704 56.100 0.175 0.000 0.975 211 R CB -0.467 29.940 30.300 0.178 0.000 0.866 211 R HN 0.752 nan 8.270 nan 0.000 0.446 212 Y N 0.359 120.734 120.300 0.125 0.000 2.207 212 Y HA -0.267 4.283 4.550 0.001 0.000 0.287 212 Y C 1.728 177.618 175.900 -0.017 0.000 1.156 212 Y CA 1.508 59.670 58.100 0.105 0.000 1.182 212 Y CB -0.185 38.393 38.460 0.196 0.000 0.979 212 Y HN -0.095 nan 8.280 nan 0.000 0.521 213 F N -0.984 118.965 119.950 -0.001 0.000 2.102 213 F HA -0.261 4.267 4.527 0.001 0.000 0.298 213 F C 2.358 178.100 175.800 -0.098 0.000 1.105 213 F CA 1.720 59.668 58.000 -0.086 0.000 1.239 213 F CB -0.936 37.936 39.000 -0.214 0.000 0.991 213 F HN -0.132 nan 8.300 nan 0.000 0.474 214 V N 0.043 120.008 119.914 0.085 0.000 2.343 214 V HA -0.280 3.841 4.120 0.001 0.000 0.247 214 V C 2.423 178.431 176.094 -0.144 0.000 1.051 214 V CA 1.620 63.915 62.300 -0.008 0.000 1.036 214 V CB -0.545 31.311 31.823 0.055 0.000 0.654 214 V HN 0.239 nan 8.190 nan 0.000 0.451 215 K N -0.544 119.677 120.400 -0.298 0.000 2.063 215 K HA -0.222 4.098 4.320 0.001 0.000 0.208 215 K C 2.110 178.281 176.600 -0.716 0.000 1.048 215 K CA 1.956 57.816 56.287 -0.711 0.000 0.928 215 K CB -0.568 31.081 32.500 -1.417 0.000 0.713 215 K HN 0.535 nan 8.250 nan 0.000 0.442 216 F N 1.987 121.591 119.950 -0.576 0.000 2.102 216 F HA -0.150 4.378 4.527 0.001 0.000 0.298 216 F C 2.010 177.682 175.800 -0.214 0.000 1.105 216 F CA 1.184 59.045 58.000 -0.232 0.000 1.239 216 F CB -0.382 38.504 39.000 -0.191 0.000 0.991 216 F HN -0.132 nan 8.300 nan 0.000 0.474 217 L N 0.125 121.092 121.223 -0.427 0.000 2.042 217 L HA -0.236 4.105 4.340 0.001 0.000 0.210 217 L C 2.209 178.842 176.870 -0.395 0.000 1.076 217 L CA 1.508 55.982 54.840 -0.611 0.000 0.749 217 L CB -0.932 40.568 42.059 -0.931 0.000 0.893 217 L HN 0.117 nan 8.230 nan 0.000 0.432 218 D N 0.213 120.489 120.400 -0.206 0.000 2.097 218 D HA -0.158 4.483 4.640 0.001 0.000 0.195 218 D C 2.241 178.542 176.300 0.001 0.000 0.989 218 D CA 1.592 55.618 54.000 0.045 0.000 0.827 218 D CB -0.059 40.747 40.800 0.010 0.000 0.966 218 D HN 0.315 nan 8.370 nan 0.000 0.456 219 A N -0.245 122.536 122.820 -0.064 0.000 1.930 219 A HA -0.184 4.136 4.320 0.001 0.000 0.217 219 A C 2.035 179.668 177.584 0.082 0.000 1.175 219 A CA 1.009 53.065 52.037 0.031 0.000 0.627 219 A CB -0.860 18.184 19.000 0.073 0.000 0.815 219 A HN 0.213 nan 8.150 nan 0.000 0.443 220 Y N -0.160 120.018 120.300 -0.203 0.000 2.263 220 Y HA 0.010 4.561 4.550 0.001 0.000 0.292 220 Y C 2.855 178.783 175.900 0.046 0.000 1.130 220 Y CA 0.538 58.581 58.100 -0.096 0.000 1.179 220 Y CB -0.489 37.886 38.460 -0.141 0.000 0.998 220 Y HN 0.329 nan 8.280 nan 0.000 0.532 221 A N 0.161 123.074 122.820 0.155 0.000 1.902 221 A HA -0.219 4.101 4.320 0.001 0.000 0.217 221 A C 2.012 179.645 177.584 0.082 0.000 1.181 221 A CA 1.863 53.985 52.037 0.143 0.000 0.623 221 A CB -0.616 18.503 19.000 0.199 0.000 0.818 221 A HN 0.533 nan 8.150 nan 0.000 0.443 222 E N -0.835 119.395 120.200 0.050 0.000 2.265 222 E HA -0.162 4.189 4.350 0.001 0.000 0.196 222 E C 0.859 177.367 176.600 -0.153 0.000 0.996 222 E CA 0.939 57.310 56.400 -0.048 0.000 0.832 222 E CB -0.209 29.445 29.700 -0.076 0.000 0.756 222 E HN 0.740 nan 8.360 nan 0.000 0.491 223 H N 0.166 119.212 119.070 -0.039 0.000 2.519 223 H HA 0.153 4.710 4.556 0.001 0.000 0.289 223 H C -0.010 175.371 175.328 0.089 0.000 1.040 223 H CA 0.116 56.151 56.048 -0.022 0.000 1.165 223 H CB 0.503 30.186 29.762 -0.130 0.000 1.462 223 H HN -0.018 nan 8.280 nan 0.000 0.555 224 K N 0.083 120.564 120.400 0.136 0.000 3.192 224 K HA -0.160 4.160 4.320 0.001 0.000 0.278 224 K C -0.448 176.236 176.600 0.140 0.000 1.164 224 K CA 0.329 56.698 56.287 0.137 0.000 0.816 224 K CB -2.100 30.478 32.500 0.130 0.000 1.256 224 K HN 0.363 nan 8.250 nan 0.000 0.497 225 L N 1.246 122.522 121.223 0.089 0.000 2.333 225 L HA 0.336 4.676 4.340 0.001 0.000 0.280 225 L C 0.625 177.520 176.870 0.041 0.000 1.004 225 L CA -0.632 54.205 54.840 -0.004 0.000 0.820 225 L CB 1.790 43.827 42.059 -0.037 0.000 1.247 225 L HN 0.166 nan 8.230 nan 0.000 0.416 226 Q N 2.199 121.973 119.800 -0.043 0.000 2.348 226 Q HA 0.585 4.926 4.340 0.001 0.000 0.271 226 Q C -1.662 174.254 176.000 -0.141 0.000 1.067 226 Q CA -0.726 55.093 55.803 0.027 0.000 0.839 226 Q CB 2.328 31.112 28.738 0.077 0.000 1.354 226 Q HN 0.341 nan 8.270 nan 0.000 0.447 227 F N 1.464 121.445 119.950 0.052 0.000 2.421 227 F HA 0.275 4.803 4.527 0.001 0.000 0.337 227 F C 0.531 176.379 175.800 0.079 0.000 1.105 227 F CA -0.705 57.332 58.000 0.062 0.000 1.049 227 F CB 0.963 39.976 39.000 0.022 0.000 1.139 227 F HN 0.828 nan 8.300 nan 0.000 0.479 228 W N 3.864 125.195 121.300 0.051 0.000 2.443 228 W HA 0.411 5.072 4.660 0.001 0.000 0.296 228 W C -0.161 176.354 176.519 -0.006 0.000 1.202 228 W CA 1.055 58.393 57.345 -0.012 0.000 1.312 228 W CB -0.011 29.407 29.460 -0.069 0.000 1.120 228 W HN 0.436 nan 8.180 nan 0.000 0.536 229 A N 0.169 122.752 122.820 -0.395 0.000 2.609 229 A HA 0.625 4.946 4.320 0.001 0.000 0.291 229 A C -1.275 176.163 177.584 -0.242 0.000 1.096 229 A CA -0.207 51.430 52.037 -0.666 0.000 0.684 229 A CB 1.002 19.121 19.000 -1.468 0.000 1.282 229 A HN 0.547 nan 8.150 nan 0.000 0.412 230 V N -1.480 118.294 119.914 -0.233 0.000 2.962 230 V HA 0.943 5.064 4.120 0.001 0.000 0.313 230 V C -0.087 175.942 176.094 -0.108 0.000 1.099 230 V CA -0.006 62.232 62.300 -0.103 0.000 0.971 230 V CB 1.346 33.168 31.823 -0.001 0.000 1.028 230 V HN 1.610 nan 8.190 nan 0.000 0.430 231 T N 0.074 114.608 114.554 -0.033 0.000 2.929 231 T HA 0.744 5.094 4.350 0.001 0.000 0.284 231 T C 0.997 175.712 174.700 0.025 0.000 1.014 231 T CA -0.054 62.019 62.100 -0.045 0.000 1.051 231 T CB 1.738 70.576 68.868 -0.050 0.000 1.028 231 T HN 1.588 nan 8.240 nan 0.000 0.485 232 A N 0.623 123.410 122.820 -0.056 0.000 2.119 232 A HA 0.377 4.697 4.320 0.001 0.000 0.216 232 A C 0.780 178.405 177.584 0.070 0.000 1.152 232 A CA 0.885 52.890 52.037 -0.054 0.000 0.708 232 A CB -0.672 18.227 19.000 -0.169 0.000 0.805 232 A HN 0.972 nan 8.150 nan 0.000 0.460 233 E N -1.503 118.685 120.200 -0.019 0.000 2.472 233 E HA 0.200 4.551 4.350 0.001 0.000 0.290 233 E C -1.388 175.092 176.600 -0.199 0.000 1.059 233 E CA -0.458 55.930 56.400 -0.020 0.000 0.861 233 E CB 0.049 29.718 29.700 -0.052 0.000 1.213 233 E HN 0.148 nan 8.360 nan 0.000 0.425 234 N N 2.881 121.373 118.700 -0.346 0.000 2.475 234 N HA 0.134 4.875 4.740 0.001 0.000 0.267 234 N C -0.794 174.411 175.510 -0.508 0.000 1.169 234 N CA 0.492 53.172 53.050 -0.616 0.000 0.947 234 N CB 0.409 38.031 38.487 -1.443 0.000 1.061 234 N HN 0.572 nan 8.380 nan 0.000 0.466 235 E N 1.938 121.850 120.200 -0.479 0.000 2.160 235 E HA -0.191 4.160 4.350 0.001 0.000 0.180 235 E C -1.638 174.760 176.600 -0.338 0.000 1.452 235 E CA 0.116 56.258 56.400 -0.431 0.000 0.683 235 E CB -0.592 28.901 29.700 -0.346 0.000 1.072 235 E HN 0.697 nan 8.360 nan 0.000 0.332 236 P HA -0.254 nan 4.420 nan 0.000 0.218 236 P C 1.405 178.684 177.300 -0.036 0.000 1.146 236 P CA 1.865 64.959 63.100 -0.011 0.000 0.813 236 P CB 0.076 31.857 31.700 0.134 0.000 0.778 237 S N -0.566 115.046 115.700 -0.148 0.000 2.461 237 S HA 0.074 4.544 4.470 0.001 0.000 0.228 237 S C 2.175 176.642 174.600 -0.223 0.000 1.005 237 S CA 0.673 58.819 58.200 -0.091 0.000 0.942 237 S CB -1.077 62.071 63.200 -0.087 0.000 0.776 237 S HN 0.129 nan 8.310 nan 0.000 0.514 238 A N 2.026 124.598 122.820 -0.412 0.000 1.908 238 A HA 0.170 4.490 4.320 0.001 0.000 0.218 238 A C 2.322 179.489 177.584 -0.695 0.000 1.181 238 A CA 1.474 53.022 52.037 -0.816 0.000 0.627 238 A CB -1.687 16.507 19.000 -1.342 0.000 0.818 238 A HN 0.683 nan 8.150 nan 0.000 0.445 239 G N -0.727 107.805 108.800 -0.448 0.000 2.708 239 G HA2 0.076 4.037 3.960 0.001 0.000 0.210 239 G HA3 0.076 4.037 3.960 0.001 0.000 0.210 239 G C 1.175 175.956 174.900 -0.198 0.000 1.141 239 G CA 0.588 45.509 45.100 -0.298 0.000 0.788 239 G HN 0.463 nan 8.290 nan 0.000 0.531 240 L N -0.465 120.661 121.223 -0.163 0.000 2.591 240 L HA 0.311 4.651 4.340 0.001 0.000 0.228 240 L C 0.390 177.217 176.870 -0.071 0.000 1.133 240 L CA -0.282 54.506 54.840 -0.087 0.000 0.880 240 L CB 0.089 42.128 42.059 -0.034 0.000 1.033 240 L HN 0.111 nan 8.230 nan 0.000 0.450 241 L N -0.003 121.165 121.223 -0.091 0.000 2.287 241 L HA 0.303 4.644 4.340 0.001 0.000 0.287 241 L C 0.475 177.355 176.870 0.016 0.000 1.022 241 L CA -0.136 54.692 54.840 -0.021 0.000 0.814 241 L CB 1.563 43.635 42.059 0.020 0.000 1.217 241 L HN -0.127 nan 8.230 nan 0.000 0.420 242 S N 4.105 119.811 115.700 0.010 0.000 2.537 242 S HA 0.417 4.888 4.470 0.001 0.000 0.286 242 S C 1.261 175.872 174.600 0.018 0.000 1.299 242 S CA 0.494 58.697 58.200 0.005 0.000 1.067 242 S CB -0.059 63.139 63.200 -0.004 0.000 0.864 242 S HN 1.623 nan 8.310 nan 0.000 0.494 243 G N 3.262 112.068 108.800 0.009 0.000 2.168 243 G HA2 -0.314 3.647 3.960 0.001 0.000 0.263 243 G HA3 -0.314 3.647 3.960 0.001 0.000 0.263 243 G C -0.009 174.885 174.900 -0.010 0.000 0.977 243 G CA 0.434 45.531 45.100 -0.005 0.000 0.659 243 G HN 1.038 nan 8.290 nan 0.000 0.533 244 Y N 2.049 122.282 120.300 -0.111 0.000 2.721 244 Y HA 0.299 4.850 4.550 0.001 0.000 0.329 244 Y C -0.393 175.396 175.900 -0.185 0.000 1.211 244 Y CA -0.454 57.540 58.100 -0.177 0.000 1.512 244 Y CB 1.033 39.355 38.460 -0.229 0.000 1.249 244 Y HN 0.080 nan 8.280 nan 0.000 0.549 245 P HA -0.026 nan 4.420 nan 0.000 0.235 245 P C -0.634 176.578 177.300 -0.146 0.000 1.177 245 P CA 0.919 63.829 63.100 -0.316 0.000 0.785 245 P CB 0.041 31.552 31.700 -0.316 0.000 0.885 246 F N -2.240 117.603 119.950 -0.179 0.000 2.782 246 F HA 0.699 5.227 4.527 0.001 0.000 0.366 246 F C -0.179 175.833 175.800 0.353 0.000 1.171 246 F CA -2.036 56.023 58.000 0.099 0.000 1.064 246 F CB -0.382 38.593 39.000 -0.043 0.000 1.449 246 F HN -0.481 nan 8.300 nan 0.000 0.520 247 Q N 0.905 121.123 119.800 0.697 0.000 2.283 247 Q HA 0.391 4.732 4.340 0.001 0.000 0.301 247 Q C -0.307 175.911 176.000 0.363 0.000 1.063 247 Q CA 0.634 56.705 55.803 0.446 0.000 0.952 247 Q CB 0.346 29.323 28.738 0.398 0.000 1.166 247 Q HN 0.873 nan 8.270 nan 0.000 0.381 248 C N 0.349 119.718 119.300 0.115 0.000 3.259 248 C HA 0.859 5.320 4.460 0.001 0.000 0.344 248 C C -1.868 173.033 174.990 -0.149 0.000 1.401 248 C CA -1.236 57.744 59.018 -0.063 0.000 1.219 248 C CB 0.718 28.309 27.740 -0.248 0.000 1.521 248 C HN 0.827 nan 8.230 nan 0.000 0.455 249 L N 1.617 122.721 121.223 -0.198 0.000 2.753 249 L HA 0.678 5.018 4.340 0.001 0.000 0.259 249 L C 0.011 176.722 176.870 -0.264 0.000 0.958 249 L CA 0.626 55.298 54.840 -0.280 0.000 0.955 249 L CB 1.040 42.928 42.059 -0.285 0.000 1.317 249 L HN 1.490 nan 8.230 nan 0.000 0.436 250 G N 3.213 111.799 108.800 -0.357 0.000 2.390 250 G HA2 0.537 4.497 3.960 0.001 0.000 0.270 250 G HA3 0.537 4.497 3.960 0.001 0.000 0.270 250 G C -1.210 173.455 174.900 -0.392 0.000 1.211 250 G CA -0.078 44.873 45.100 -0.249 0.000 0.842 250 G HN 0.367 nan 8.290 nan 0.000 0.519 251 F N 0.589 120.498 119.950 -0.067 0.000 2.557 251 F HA 0.376 4.903 4.527 0.001 0.000 0.316 251 F C 0.955 176.832 175.800 0.128 0.000 1.141 251 F CA -0.788 57.190 58.000 -0.037 0.000 0.922 251 F CB 2.262 41.221 39.000 -0.068 0.000 1.194 251 F HN 0.652 nan 8.300 nan 0.000 0.443 252 T N -0.108 114.590 114.554 0.240 0.000 2.766 252 T HA 0.205 4.555 4.350 0.001 0.000 0.295 252 T C -1.870 172.656 174.700 -0.290 0.000 1.024 252 T CA -1.428 60.713 62.100 0.069 0.000 1.018 252 T CB 1.006 69.883 68.868 0.015 0.000 1.002 252 T HN 0.325 nan 8.240 nan 0.000 0.532 253 P HA -0.040 nan 4.420 nan 0.000 0.218 253 P C 1.088 178.041 177.300 -0.580 0.000 1.149 253 P CA 1.066 63.299 63.100 -1.446 0.000 0.817 253 P CB 0.050 30.735 31.700 -1.691 0.000 0.785 254 E N -1.390 118.623 120.200 -0.313 0.000 2.072 254 E HA -0.181 4.170 4.350 0.001 0.000 0.191 254 E C 2.188 178.800 176.600 0.020 0.000 0.985 254 E CA 1.008 57.328 56.400 -0.134 0.000 0.801 254 E CB -1.127 28.517 29.700 -0.094 0.000 0.750 254 E HN 0.494 nan 8.360 nan 0.000 0.452 255 H N -0.013 119.040 119.070 -0.027 0.000 2.321 255 H HA -0.109 4.448 4.556 0.001 0.000 0.300 255 H C 2.245 177.733 175.328 0.266 0.000 1.087 255 H CA 1.419 57.545 56.048 0.131 0.000 1.319 255 H CB 0.271 30.136 29.762 0.171 0.000 1.379 255 H HN 0.139 nan 8.280 nan 0.000 0.501 256 Q N 0.717 120.673 119.800 0.260 0.000 2.061 256 Q HA -0.215 4.125 4.340 0.001 0.000 0.204 256 Q C 2.587 178.630 176.000 0.072 0.000 0.984 256 Q CA 1.623 57.478 55.803 0.086 0.000 0.846 256 Q CB -0.077 28.654 28.738 -0.011 0.000 0.902 256 Q HN 0.367 nan 8.270 nan 0.000 0.421 257 R N 0.101 120.593 120.500 -0.014 0.000 2.094 257 R HA -0.209 4.132 4.340 0.001 0.000 0.239 257 R C 1.325 177.642 176.300 0.030 0.000 1.137 257 R CA 2.177 58.258 56.100 -0.030 0.000 0.943 257 R CB -0.279 29.969 30.300 -0.087 0.000 0.850 257 R HN 0.374 nan 8.270 nan 0.000 0.433 258 D N -0.364 120.088 120.400 0.087 0.000 2.178 258 D HA -0.141 4.499 4.640 0.001 0.000 0.202 258 D C 1.547 177.948 176.300 0.169 0.000 0.974 258 D CA 0.808 54.865 54.000 0.096 0.000 0.841 258 D CB -0.333 40.507 40.800 0.068 0.000 0.953 258 D HN 0.229 nan 8.370 nan 0.000 0.478 259 F N 1.382 121.402 119.950 0.117 0.000 2.146 259 F HA -0.027 4.500 4.527 0.001 0.000 0.298 259 F C 2.049 177.843 175.800 -0.009 0.000 1.096 259 F CA 0.800 58.889 58.000 0.149 0.000 1.275 259 F CB -0.414 38.769 39.000 0.304 0.000 1.008 259 F HN -0.164 nan 8.300 nan 0.000 0.480 260 I N 0.282 120.708 120.570 -0.240 0.000 2.226 260 I HA -0.300 3.871 4.170 0.001 0.000 0.245 260 I C 2.669 178.599 176.117 -0.312 0.000 1.100 260 I CA 1.321 62.378 61.300 -0.406 0.000 1.374 260 I CB -0.851 37.019 38.000 -0.217 0.000 1.057 260 I HN 0.237 nan 8.210 nan 0.000 0.413 261 A N 0.693 123.450 122.820 -0.104 0.000 1.898 261 A HA -0.160 4.161 4.320 0.001 0.000 0.216 261 A C 2.373 179.931 177.584 -0.043 0.000 1.181 261 A CA 1.497 53.540 52.037 0.009 0.000 0.620 261 A CB -0.400 18.624 19.000 0.041 0.000 0.819 261 A HN 0.335 nan 8.150 nan 0.000 0.442 262 R N -1.199 119.263 120.500 -0.064 0.000 2.156 262 R HA 0.087 4.428 4.340 0.001 0.000 0.207 262 R C 0.889 177.137 176.300 -0.086 0.000 1.040 262 R CA 1.199 57.276 56.100 -0.039 0.000 1.013 262 R CB 0.062 30.372 30.300 0.017 0.000 0.931 262 R HN 0.528 nan 8.270 nan 0.000 0.465 263 D N -0.213 120.086 120.400 -0.168 0.000 3.194 263 D HA -0.028 4.612 4.640 0.001 0.000 0.290 263 D C 1.649 177.686 176.300 -0.438 0.000 1.280 263 D CA 0.124 54.023 54.000 -0.168 0.000 1.058 263 D CB -0.177 40.700 40.800 0.129 0.000 1.241 263 D HN -0.057 nan 8.370 nan 0.000 0.421 264 L N 1.919 122.624 121.223 -0.863 0.000 2.072 264 L HA 0.134 4.475 4.340 0.001 0.000 0.205 264 L C 2.186 178.606 176.870 -0.750 0.000 1.079 264 L CA 2.053 56.330 54.840 -0.938 0.000 0.752 264 L CB -0.870 40.333 42.059 -1.426 0.000 0.906 264 L HN 0.092 nan 8.230 nan 0.000 0.436 265 G N -0.185 108.092 108.800 -0.871 0.000 2.433 265 G HA2 -0.190 3.770 3.960 0.001 0.000 0.216 265 G HA3 -0.190 3.770 3.960 0.001 0.000 0.216 265 G C -0.648 173.582 174.900 -1.117 0.000 1.186 265 G CA 0.909 45.250 45.100 -1.264 0.000 0.779 265 G HN 0.367 nan 8.290 nan 0.000 0.543 266 P HA -0.033 nan 4.420 nan 0.000 0.216 266 P C 1.987 179.153 177.300 -0.224 0.000 1.150 266 P CA 1.627 64.507 63.100 -0.366 0.000 0.837 266 P CB -0.212 31.362 31.700 -0.210 0.000 0.786 267 T N -0.453 113.951 114.554 -0.251 0.000 2.777 267 T HA -0.043 4.308 4.350 0.001 0.000 0.266 267 T C 1.771 176.406 174.700 -0.108 0.000 1.040 267 T CA 1.009 63.024 62.100 -0.142 0.000 1.141 267 T CB -0.818 67.970 68.868 -0.133 0.000 0.868 267 T HN 0.051 nan 8.240 nan 0.000 0.444 268 L N 0.743 121.862 121.223 -0.172 0.000 2.056 268 L HA 0.001 4.342 4.340 0.001 0.000 0.207 268 L C 3.020 179.891 176.870 0.002 0.000 1.078 268 L CA 1.088 55.879 54.840 -0.083 0.000 0.749 268 L CB -0.608 41.364 42.059 -0.145 0.000 0.901 268 L HN 0.227 nan 8.230 nan 0.000 0.433 269 A N -0.060 122.748 122.820 -0.021 0.000 2.019 269 A HA -0.225 4.096 4.320 0.001 0.000 0.219 269 A C 1.881 179.493 177.584 0.046 0.000 1.164 269 A CA 1.905 53.989 52.037 0.078 0.000 0.644 269 A CB -0.634 18.456 19.000 0.149 0.000 0.805 269 A HN 0.458 nan 8.150 nan 0.000 0.449 270 N N -0.327 118.377 118.700 0.006 0.000 2.370 270 N HA 0.029 4.770 4.740 0.001 0.000 0.198 270 N C 0.338 175.852 175.510 0.007 0.000 1.156 270 N CA 0.672 53.717 53.050 -0.008 0.000 0.839 270 N CB -0.046 38.432 38.487 -0.015 0.000 0.989 270 N HN 0.500 nan 8.380 nan 0.000 0.468 271 S N -2.465 113.263 115.700 0.047 0.000 2.739 271 S HA 0.255 4.726 4.470 0.001 0.000 0.306 271 S C 1.321 175.952 174.600 0.052 0.000 1.115 271 S CA -0.135 58.093 58.200 0.047 0.000 0.985 271 S CB 0.735 63.996 63.200 0.102 0.000 1.133 271 S HN 0.206 nan 8.310 nan 0.000 0.541 272 T N -1.691 112.796 114.554 -0.111 0.000 3.051 272 T HA -0.034 4.317 4.350 0.001 0.000 0.269 272 T C 0.706 175.245 174.700 -0.268 0.000 1.127 272 T CA 0.914 62.905 62.100 -0.180 0.000 1.107 272 T CB -0.746 67.924 68.868 -0.331 0.000 0.898 272 T HN 0.756 nan 8.240 nan 0.000 0.517 273 H N 0.859 119.953 119.070 0.039 0.000 2.507 273 H HA 0.183 4.740 4.556 0.001 0.000 0.294 273 H C 1.552 176.829 175.328 -0.086 0.000 1.064 273 H CA 0.416 56.438 56.048 -0.043 0.000 1.138 273 H CB -0.410 29.346 29.762 -0.011 0.000 1.515 273 H HN 0.844 nan 8.280 nan 0.000 0.547 274 H N -0.615 118.476 119.070 0.034 0.000 2.518 274 H HA -0.045 4.512 4.556 0.001 0.000 0.292 274 H C 1.230 176.563 175.328 0.008 0.000 1.068 274 H CA 1.047 57.104 56.048 0.015 0.000 1.275 274 H CB 0.074 29.837 29.762 0.002 0.000 1.375 274 H HN 0.060 nan 8.280 nan 0.000 0.563 275 N N 0.873 119.295 118.700 -0.464 0.000 2.463 275 N HA 0.006 4.747 4.740 0.001 0.000 0.181 275 N C -0.168 175.255 175.510 -0.145 0.000 1.078 275 N CA 0.318 53.218 53.050 -0.249 0.000 0.902 275 N CB 0.371 38.693 38.487 -0.276 0.000 0.970 275 N HN 0.180 nan 8.380 nan 0.000 0.451 276 V N 3.616 123.465 119.914 -0.108 0.000 2.599 276 V HA -0.044 4.076 4.120 0.001 0.000 0.300 276 V C 0.863 176.825 176.094 -0.219 0.000 1.034 276 V CA -0.036 62.188 62.300 -0.125 0.000 1.115 276 V CB 0.261 32.056 31.823 -0.047 0.000 0.934 276 V HN 0.125 nan 8.190 nan 0.000 0.485 277 R N 3.809 124.067 120.500 -0.403 0.000 2.539 277 R HA 0.459 4.799 4.340 0.001 0.000 0.275 277 R C -0.523 175.573 176.300 -0.339 0.000 1.077 277 R CA -0.787 55.047 56.100 -0.443 0.000 1.097 277 R CB 0.698 30.521 30.300 -0.796 0.000 1.018 277 R HN 0.524 nan 8.270 nan 0.000 0.483 278 L N 3.208 124.311 121.223 -0.201 0.000 2.287 278 L HA 0.381 4.721 4.340 0.001 0.000 0.287 278 L C -0.960 175.830 176.870 -0.134 0.000 1.022 278 L CA -0.275 54.456 54.840 -0.181 0.000 0.814 278 L CB 1.033 42.994 42.059 -0.164 0.000 1.217 278 L HN 0.442 nan 8.230 nan 0.000 0.420 279 L N 6.140 127.267 121.223 -0.160 0.000 2.295 279 L HA 0.528 4.868 4.340 0.001 0.000 0.285 279 L C 0.394 177.205 176.870 -0.099 0.000 1.035 279 L CA -0.648 54.126 54.840 -0.110 0.000 0.806 279 L CB 1.432 43.423 42.059 -0.112 0.000 1.214 279 L HN 0.751 nan 8.230 nan 0.000 0.426 280 M N 2.144 121.698 119.600 -0.078 0.000 2.245 280 M HA 0.488 4.969 4.480 0.001 0.000 0.292 280 M C 0.664 176.912 176.300 -0.088 0.000 1.176 280 M CA -0.309 54.952 55.300 -0.065 0.000 1.035 280 M CB 1.319 33.904 32.600 -0.025 0.000 1.440 280 M HN 0.524 nan 8.290 nan 0.000 0.494 281 L N 0.106 121.267 121.223 -0.104 0.000 3.838 281 L HA -0.342 3.999 4.340 0.001 0.000 0.053 281 L C 0.344 176.965 176.870 -0.414 0.000 4.244 281 L CA 2.940 57.586 54.840 -0.324 0.000 0.724 281 L CB -1.850 40.039 42.059 -0.283 0.000 3.466 281 L HN 1.161 nan 8.230 nan 0.000 0.932 282 D N 0.602 120.799 120.400 -0.339 0.000 2.689 282 D HA -0.100 4.541 4.640 0.001 0.000 0.237 282 D C -0.326 175.432 176.300 -0.904 0.000 1.148 282 D CA 1.444 55.186 54.000 -0.430 0.000 0.656 282 D CB -0.768 39.866 40.800 -0.276 0.000 1.050 282 D HN 0.736 nan 8.370 nan 0.000 0.426 283 D N -1.020 118.877 120.400 -0.840 0.000 2.768 283 D HA 0.156 4.796 4.640 0.001 0.000 0.327 283 D C -0.505 175.522 176.300 -0.455 0.000 1.302 283 D CA -0.421 53.118 54.000 -0.767 0.000 0.897 283 D CB 0.656 41.036 40.800 -0.700 0.000 1.420 283 D HN -0.134 nan 8.370 nan 0.000 0.494 284 Q N 0.835 120.464 119.800 -0.284 0.000 2.315 284 Q HA 0.067 4.408 4.340 0.001 0.000 0.289 284 Q C 1.091 177.000 176.000 -0.150 0.000 1.044 284 Q CA 0.322 56.051 55.803 -0.123 0.000 0.920 284 Q CB 0.359 29.055 28.738 -0.070 0.000 1.214 284 Q HN 0.507 nan 8.270 nan 0.000 0.392 285 R N 1.715 122.162 120.500 -0.089 0.000 2.237 285 R HA -0.130 4.211 4.340 0.001 0.000 0.219 285 R C 1.590 177.849 176.300 -0.068 0.000 1.080 285 R CA 1.086 57.140 56.100 -0.077 0.000 0.995 285 R CB -0.657 29.617 30.300 -0.042 0.000 0.875 285 R HN 0.486 nan 8.270 nan 0.000 0.462 286 L N -0.466 120.708 121.223 -0.081 0.000 2.263 286 L HA -0.054 4.286 4.340 0.001 0.000 0.216 286 L C 1.764 178.619 176.870 -0.026 0.000 1.111 286 L CA 1.495 56.295 54.840 -0.067 0.000 0.773 286 L CB -0.555 41.446 42.059 -0.096 0.000 0.906 286 L HN 0.117 nan 8.230 nan 0.000 0.439 287 L N -0.546 120.641 121.223 -0.060 0.000 2.465 287 L HA 0.095 4.435 4.340 0.001 0.000 0.224 287 L C 0.941 177.885 176.870 0.123 0.000 1.145 287 L CA 0.129 54.964 54.840 -0.008 0.000 0.834 287 L CB -0.253 41.587 42.059 -0.365 0.000 0.944 287 L HN 0.249 nan 8.230 nan 0.000 0.451 288 L N 0.892 122.154 121.223 0.064 0.000 2.343 288 L HA 0.245 4.586 4.340 0.001 0.000 0.275 288 L C -1.383 175.562 176.870 0.124 0.000 1.056 288 L CA -1.458 53.452 54.840 0.117 0.000 0.804 288 L CB 1.197 43.300 42.059 0.073 0.000 1.203 288 L HN -0.195 nan 8.230 nan 0.000 0.440 289 P HA -0.024 nan 4.420 nan 0.000 0.255 289 P C 0.904 178.348 177.300 0.240 0.000 1.248 289 P CA 0.420 63.640 63.100 0.200 0.000 0.807 289 P CB 0.142 31.956 31.700 0.190 0.000 1.150 290 H N -0.329 118.839 119.070 0.164 0.000 2.289 290 H HA -0.172 4.385 4.556 0.001 0.000 0.296 290 H C 1.462 176.892 175.328 0.169 0.000 1.091 290 H CA 2.179 58.319 56.048 0.153 0.000 1.274 290 H CB -0.835 29.015 29.762 0.147 0.000 1.364 290 H HN 0.020 nan 8.280 nan 0.000 0.490 291 W N 0.491 121.735 121.300 -0.094 0.000 2.363 291 W HA -0.040 4.621 4.660 0.001 0.000 0.296 291 W C 2.905 179.311 176.519 -0.188 0.000 1.212 291 W CA 2.076 59.315 57.345 -0.177 0.000 1.260 291 W CB -0.806 28.603 29.460 -0.085 0.000 1.131 291 W HN 0.378 nan 8.180 nan 0.000 0.530 292 A N 0.159 123.037 122.820 0.096 0.000 1.902 292 A HA -0.228 4.093 4.320 0.001 0.000 0.217 292 A C 1.937 179.372 177.584 -0.249 0.000 1.181 292 A CA 1.977 53.937 52.037 -0.127 0.000 0.623 292 A CB -0.632 18.317 19.000 -0.086 0.000 0.818 292 A HN 0.309 nan 8.150 nan 0.000 0.443 293 K N -0.481 119.927 120.400 0.013 0.000 2.026 293 K HA -0.064 4.257 4.320 0.001 0.000 0.208 293 K C 1.893 178.443 176.600 -0.084 0.000 1.048 293 K CA 1.404 57.746 56.287 0.093 0.000 0.929 293 K CB -0.405 32.180 32.500 0.143 0.000 0.713 293 K HN 0.301 nan 8.250 nan 0.000 0.439 294 V N 1.057 120.826 119.914 -0.243 0.000 2.295 294 V HA -0.228 3.893 4.120 0.001 0.000 0.246 294 V C 2.266 178.231 176.094 -0.215 0.000 1.049 294 V CA 1.613 63.745 62.300 -0.281 0.000 1.024 294 V CB -0.328 31.208 31.823 -0.478 0.000 0.648 294 V HN 0.089 nan 8.190 nan 0.000 0.447 295 V N -0.519 119.260 119.914 -0.224 0.000 2.346 295 V HA -0.119 4.002 4.120 0.001 0.000 0.244 295 V C 2.113 178.100 176.094 -0.179 0.000 1.037 295 V CA 1.597 63.791 62.300 -0.178 0.000 1.029 295 V CB -0.413 31.328 31.823 -0.138 0.000 0.663 295 V HN 0.423 nan 8.190 nan 0.000 0.454 296 L N 0.659 121.714 121.223 -0.280 0.000 2.418 296 L HA -0.028 4.312 4.340 0.001 0.000 0.218 296 L C 2.494 179.280 176.870 -0.140 0.000 1.125 296 L CA 1.391 56.032 54.840 -0.330 0.000 0.835 296 L CB -0.707 40.873 42.059 -0.799 0.000 0.953 296 L HN 0.550 nan 8.230 nan 0.000 0.454 297 T N -4.533 109.988 114.554 -0.053 0.000 3.113 297 T HA -0.067 4.283 4.350 0.001 0.000 0.256 297 T C 0.695 175.389 174.700 -0.011 0.000 1.131 297 T CA -0.124 61.995 62.100 0.032 0.000 1.074 297 T CB -0.216 68.696 68.868 0.073 0.000 0.944 297 T HN 0.039 nan 8.240 nan 0.000 0.516 298 D N 2.930 123.304 120.400 -0.043 0.000 2.347 298 D HA 0.225 4.866 4.640 0.001 0.000 0.235 298 D C -1.431 174.844 176.300 -0.042 0.000 1.149 298 D CA -2.635 51.342 54.000 -0.038 0.000 0.850 298 D CB 1.955 42.729 40.800 -0.043 0.000 1.061 298 D HN 0.060 nan 8.370 nan 0.000 0.487 299 P HA -0.084 nan 4.420 nan 0.000 0.223 299 P C 0.941 178.194 177.300 -0.078 0.000 1.151 299 P CA 0.526 63.593 63.100 -0.056 0.000 0.787 299 P CB 0.482 32.155 31.700 -0.046 0.000 0.788 300 E N 0.151 120.324 120.200 -0.046 0.000 2.106 300 E HA -0.072 4.279 4.350 0.001 0.000 0.192 300 E C 2.343 178.963 176.600 0.034 0.000 0.984 300 E CA 1.229 57.617 56.400 -0.019 0.000 0.806 300 E CB -1.294 28.422 29.700 0.028 0.000 0.750 300 E HN 0.407 nan 8.360 nan 0.000 0.458 301 A N 1.088 123.924 122.820 0.026 0.000 1.854 301 A HA 0.190 4.510 4.320 0.001 0.000 0.214 301 A C 2.570 180.156 177.584 0.004 0.000 1.192 301 A CA 1.615 53.685 52.037 0.055 0.000 0.611 301 A CB -1.015 17.978 19.000 -0.012 0.000 0.832 301 A HN 0.467 nan 8.150 nan 0.000 0.442 302 A N 1.195 123.973 122.820 -0.069 0.000 1.948 302 A HA -0.244 4.076 4.320 0.001 0.000 0.220 302 A C 2.037 179.541 177.584 -0.134 0.000 1.177 302 A CA 2.150 54.127 52.037 -0.101 0.000 0.636 302 A CB -0.679 18.264 19.000 -0.095 0.000 0.815 302 A HN 0.734 nan 8.150 nan 0.000 0.449 303 K N -1.846 118.409 120.400 -0.241 0.000 2.442 303 K HA -0.099 4.222 4.320 0.001 0.000 0.198 303 K C 1.059 177.413 176.600 -0.409 0.000 1.042 303 K CA 1.484 57.555 56.287 -0.360 0.000 0.958 303 K CB -0.387 31.804 32.500 -0.515 0.000 0.766 303 K HN 0.615 nan 8.250 nan 0.000 0.474 304 Y N 0.853 121.108 120.300 -0.075 0.000 2.449 304 Y HA 0.182 4.732 4.550 0.001 0.000 0.254 304 Y C 0.384 176.231 175.900 -0.088 0.000 1.140 304 Y CA -0.750 57.296 58.100 -0.090 0.000 1.272 304 Y CB 1.117 39.499 38.460 -0.130 0.000 1.114 304 Y HN -0.210 nan 8.280 nan 0.000 0.525 305 V N 0.831 120.766 119.914 0.034 0.000 2.350 305 V HA 0.037 4.157 4.120 0.001 0.000 0.276 305 V C 0.623 176.722 176.094 0.010 0.000 1.028 305 V CA -0.319 61.978 62.300 -0.005 0.000 0.860 305 V CB 0.958 32.746 31.823 -0.059 0.000 0.990 305 V HN 0.330 nan 8.190 nan 0.000 0.453 306 H N 4.104 123.129 119.070 -0.075 0.000 2.448 306 H HA 0.403 4.960 4.556 0.001 0.000 0.292 306 H C 0.803 176.110 175.328 -0.036 0.000 1.035 306 H CA 1.165 57.178 56.048 -0.058 0.000 1.349 306 H CB 0.601 30.309 29.762 -0.091 0.000 1.425 306 H HN 0.754 nan 8.280 nan 0.000 0.539 307 G N -0.757 107.992 108.800 -0.084 0.000 2.548 307 G HA2 0.415 4.375 3.960 0.001 0.000 0.301 307 G HA3 0.415 4.375 3.960 0.001 0.000 0.301 307 G C -1.666 173.213 174.900 -0.035 0.000 1.349 307 G CA -0.623 44.422 45.100 -0.093 0.000 0.792 307 G HN 0.132 nan 8.290 nan 0.000 0.481 308 I N 1.025 121.600 120.570 0.008 0.000 2.418 308 I HA 0.583 4.754 4.170 0.001 0.000 0.287 308 I C 0.387 176.541 176.117 0.062 0.000 1.008 308 I CA -0.847 60.458 61.300 0.009 0.000 1.104 308 I CB 1.958 39.963 38.000 0.009 0.000 1.264 308 I HN 0.662 nan 8.210 nan 0.000 0.438 309 A N 6.589 129.428 122.820 0.032 0.000 2.301 309 A HA 0.821 5.142 4.320 0.001 0.000 0.312 309 A C -0.342 177.221 177.584 -0.035 0.000 1.182 309 A CA -0.459 51.630 52.037 0.088 0.000 0.826 309 A CB 1.073 20.142 19.000 0.117 0.000 1.134 309 A HN 0.614 nan 8.150 nan 0.000 0.501 310 V N 0.415 120.320 119.914 -0.014 0.000 2.962 310 V HA 0.660 4.781 4.120 0.001 0.000 0.313 310 V C -0.554 175.571 176.094 0.052 0.000 1.099 310 V CA -0.782 61.478 62.300 -0.067 0.000 0.971 310 V CB 1.259 33.048 31.823 -0.056 0.000 1.028 310 V HN 0.962 nan 8.190 nan 0.000 0.430 311 H N 2.490 121.458 119.070 -0.170 0.000 2.616 311 H HA 0.351 4.908 4.556 0.001 0.000 0.353 311 H C -0.431 174.831 175.328 -0.111 0.000 1.170 311 H CA -0.388 55.545 56.048 -0.192 0.000 1.212 311 H CB 2.231 31.977 29.762 -0.028 0.000 1.653 311 H HN 0.978 nan 8.280 nan 0.000 0.537 312 W N 2.672 123.707 121.300 -0.441 0.000 3.278 312 W HA 0.048 4.710 4.660 0.002 0.000 0.308 312 W C -0.089 176.293 176.519 -0.228 0.000 1.253 312 W CA -0.324 56.818 57.345 -0.338 0.000 1.759 312 W CB -1.107 28.138 29.460 -0.359 0.000 1.093 312 W HN 0.664 nan 8.180 nan 0.000 0.648 313 Y N 1.500 121.936 120.300 0.227 0.000 2.242 313 Y HA -0.038 4.512 4.550 0.001 0.000 0.291 313 Y C 2.037 177.959 175.900 0.036 0.000 1.137 313 Y CA 1.466 59.603 58.100 0.061 0.000 1.181 313 Y CB -0.402 38.160 38.460 0.171 0.000 0.989 313 Y HN -0.181 nan 8.280 nan 0.000 0.527 314 L N 0.081 121.407 121.223 0.171 0.000 2.928 314 L HA 0.125 4.466 4.340 0.001 0.000 0.246 314 L C 0.498 177.318 176.870 -0.084 0.000 1.239 314 L CA -0.174 54.717 54.840 0.085 0.000 1.035 314 L CB 0.008 42.064 42.059 -0.004 0.000 1.360 314 L HN 0.105 nan 8.230 nan 0.000 0.529 315 D N 1.168 121.556 120.400 -0.020 0.000 2.182 315 D HA -0.223 4.417 4.640 0.001 0.000 0.201 315 D C 1.973 178.247 176.300 -0.043 0.000 0.986 315 D CA 1.358 55.331 54.000 -0.046 0.000 0.847 315 D CB -0.026 40.759 40.800 -0.025 0.000 0.942 315 D HN 0.516 nan 8.370 nan 0.000 0.467 316 F N -0.268 119.642 119.950 -0.066 0.000 2.408 316 F HA -0.009 4.519 4.527 0.001 0.000 0.300 316 F C 1.647 177.436 175.800 -0.018 0.000 1.090 316 F CA 0.663 58.640 58.000 -0.038 0.000 1.427 316 F CB -0.543 38.436 39.000 -0.034 0.000 1.070 316 F HN -0.097 nan 8.300 nan 0.000 0.549 317 L N 0.340 121.044 121.223 -0.865 0.000 2.585 317 L HA 0.386 4.726 4.340 0.001 0.000 0.226 317 L C 0.723 177.415 176.870 -0.297 0.000 1.113 317 L CA 0.136 54.583 54.840 -0.655 0.000 0.876 317 L CB -0.051 41.544 42.059 -0.775 0.000 1.072 317 L HN 0.268 nan 8.230 nan 0.000 0.468 318 A N 1.005 123.698 122.820 -0.213 0.000 2.646 318 A HA 0.551 4.872 4.320 0.001 0.000 0.312 318 A C -2.589 174.931 177.584 -0.107 0.000 1.245 318 A CA -1.212 50.744 52.037 -0.135 0.000 0.755 318 A CB 0.175 19.104 19.000 -0.119 0.000 1.132 318 A HN -0.182 nan 8.150 nan 0.000 0.458 319 P HA 0.216 nan 4.420 nan 0.000 0.267 319 P C 1.036 178.223 177.300 -0.188 0.000 1.205 319 P CA 0.330 63.361 63.100 -0.115 0.000 0.765 319 P CB 1.334 32.985 31.700 -0.082 0.000 0.828 320 A N 4.449 127.079 122.820 -0.318 0.000 1.933 320 A HA -0.218 4.102 4.320 0.001 0.000 0.218 320 A C 2.177 179.393 177.584 -0.613 0.000 1.175 320 A CA 1.656 53.393 52.037 -0.500 0.000 0.628 320 A CB -0.983 17.582 19.000 -0.725 0.000 0.814 320 A HN 0.560 nan 8.150 nan 0.000 0.444 321 K N -0.351 119.653 120.400 -0.660 0.000 2.032 321 K HA -0.134 4.186 4.320 0.001 0.000 0.209 321 K C 2.028 178.601 176.600 -0.044 0.000 1.048 321 K CA 1.341 57.485 56.287 -0.237 0.000 0.927 321 K CB -0.303 32.165 32.500 -0.054 0.000 0.712 321 K HN 0.398 nan 8.250 nan 0.000 0.441 322 A N 0.052 122.835 122.820 -0.063 0.000 2.119 322 A HA -0.082 4.239 4.320 0.001 0.000 0.217 322 A C 1.855 179.445 177.584 0.010 0.000 1.153 322 A CA 1.839 53.870 52.037 -0.010 0.000 0.692 322 A CB -0.362 18.626 19.000 -0.020 0.000 0.799 322 A HN 0.643 nan 8.150 nan 0.000 0.458 323 T N -3.395 111.154 114.554 -0.008 0.000 3.397 323 T HA 0.220 4.570 4.350 0.001 0.000 0.233 323 T C 1.796 176.534 174.700 0.063 0.000 0.969 323 T CA 0.514 62.626 62.100 0.020 0.000 1.316 323 T CB -0.670 68.187 68.868 -0.018 0.000 1.175 323 T HN 0.089 nan 8.240 nan 0.000 0.381 324 L N 1.530 122.781 121.223 0.047 0.000 1.994 324 L HA 0.114 4.455 4.340 0.001 0.000 0.208 324 L C 3.169 180.197 176.870 0.264 0.000 1.071 324 L CA 1.809 56.733 54.840 0.140 0.000 0.745 324 L CB -1.228 40.908 42.059 0.128 0.000 0.892 324 L HN 0.596 nan 8.230 nan 0.000 0.431 325 G N -0.307 108.663 108.800 0.283 0.000 2.446 325 G HA2 -0.332 3.629 3.960 0.001 0.000 0.217 325 G HA3 -0.332 3.629 3.960 0.001 0.000 0.217 325 G C 1.484 176.543 174.900 0.266 0.000 1.168 325 G CA 1.005 46.356 45.100 0.418 0.000 0.771 325 G HN 0.335 nan 8.290 nan 0.000 0.551 326 E N 0.282 120.583 120.200 0.168 0.000 2.152 326 E HA -0.036 4.314 4.350 0.001 0.000 0.192 326 E C 2.581 179.243 176.600 0.104 0.000 0.983 326 E CA 1.456 57.922 56.400 0.110 0.000 0.818 326 E CB -0.477 29.273 29.700 0.082 0.000 0.758 326 E HN 0.329 nan 8.360 nan 0.000 0.467 327 T N -0.093 114.557 114.554 0.160 0.000 2.821 327 T HA -0.147 4.203 4.350 0.001 0.000 0.267 327 T C 1.605 176.419 174.700 0.190 0.000 1.046 327 T CA 1.261 63.489 62.100 0.214 0.000 1.139 327 T CB -0.455 68.549 68.868 0.228 0.000 0.871 327 T HN 0.378 nan 8.240 nan 0.000 0.454 328 H N 1.535 120.650 119.070 0.074 0.000 2.353 328 H HA -0.000 4.556 4.556 0.001 0.000 0.300 328 H C 2.622 177.894 175.328 -0.094 0.000 1.090 328 H CA 1.556 57.575 56.048 -0.047 0.000 1.327 328 H CB -0.057 29.537 29.762 -0.281 0.000 1.383 328 H HN 0.233 nan 8.280 nan 0.000 0.508 329 R N 0.451 120.891 120.500 -0.100 0.000 2.083 329 R HA -0.120 4.221 4.340 0.001 0.000 0.237 329 R C 2.652 178.794 176.300 -0.263 0.000 1.137 329 R CA 1.681 57.687 56.100 -0.157 0.000 0.951 329 R CB -0.195 30.092 30.300 -0.021 0.000 0.851 329 R HN 0.330 nan 8.270 nan 0.000 0.434 330 L N -0.735 120.300 121.223 -0.313 0.000 2.156 330 L HA -0.012 4.329 4.340 0.001 0.000 0.208 330 L C 0.497 176.813 176.870 -0.922 0.000 1.095 330 L CA 0.837 55.290 54.840 -0.646 0.000 0.770 330 L CB 0.099 41.663 42.059 -0.825 0.000 0.914 330 L HN 0.118 nan 8.230 nan 0.000 0.439 331 F N -0.823 119.057 119.950 -0.116 0.000 2.593 331 F HA 0.284 4.812 4.527 0.001 0.000 0.336 331 F C -1.588 174.111 175.800 -0.167 0.000 1.491 331 F CA -1.402 56.533 58.000 -0.108 0.000 1.114 331 F CB 0.357 39.324 39.000 -0.055 0.000 1.468 331 F HN -0.172 nan 8.300 nan 0.000 0.579 332 P HA -0.150 nan 4.420 nan 0.000 0.221 332 P C 0.479 177.731 177.300 -0.080 0.000 1.145 332 P CA 1.415 64.284 63.100 -0.384 0.000 0.795 332 P CB 0.364 31.806 31.700 -0.429 0.000 0.775 333 N N -0.749 117.942 118.700 -0.015 0.000 2.322 333 N HA 0.031 4.772 4.740 0.001 0.000 0.194 333 N C -0.017 175.491 175.510 -0.004 0.000 1.126 333 N CA 0.504 53.560 53.050 0.009 0.000 0.845 333 N CB 0.092 38.582 38.487 0.005 0.000 0.976 333 N HN 0.107 nan 8.380 nan 0.000 0.475 334 T N 2.639 117.205 114.554 0.020 0.000 2.801 334 T HA 0.309 4.659 4.350 0.001 0.000 0.306 334 T C 0.526 175.225 174.700 -0.001 0.000 1.020 334 T CA -0.748 61.331 62.100 -0.035 0.000 0.948 334 T CB 0.673 69.527 68.868 -0.023 0.000 0.962 334 T HN 0.094 nan 8.240 nan 0.000 0.465 335 M N 3.323 122.880 119.600 -0.071 0.000 2.245 335 M HA 0.394 4.875 4.480 0.001 0.000 0.344 335 M C -0.774 175.587 176.300 0.101 0.000 1.170 335 M CA 0.172 55.496 55.300 0.040 0.000 1.135 335 M CB -0.260 32.357 32.600 0.029 0.000 1.574 335 M HN 0.326 nan 8.290 nan 0.000 0.452 336 L N 3.635 124.957 121.223 0.166 0.000 2.307 336 L HA 0.654 4.994 4.340 0.001 0.000 0.282 336 L C -0.991 176.026 176.870 0.245 0.000 1.051 336 L CA -0.264 54.682 54.840 0.177 0.000 0.804 336 L CB 0.883 43.046 42.059 0.173 0.000 1.197 336 L HN 0.810 nan 8.230 nan 0.000 0.431 337 F N 2.534 122.512 119.950 0.048 0.000 2.574 337 F HA 0.666 5.193 4.527 0.001 0.000 0.313 337 F C -0.410 175.383 175.800 -0.011 0.000 1.130 337 F CA -0.725 57.301 58.000 0.043 0.000 0.936 337 F CB 1.479 40.546 39.000 0.111 0.000 1.219 337 F HN 0.429 nan 8.300 nan 0.000 0.445 338 A N 3.428 125.854 122.820 -0.657 0.000 2.279 338 A HA 0.477 4.798 4.320 0.001 0.000 0.306 338 A C 0.378 177.445 177.584 -0.863 0.000 1.300 338 A CA 0.235 51.903 52.037 -0.616 0.000 0.925 338 A CB 0.021 18.655 19.000 -0.610 0.000 1.152 338 A HN 0.997 nan 8.150 nan 0.000 0.544 339 S N 1.128 116.578 115.700 -0.416 0.000 2.539 339 S HA 0.298 4.768 4.470 0.001 0.000 0.221 339 S C 0.184 174.542 174.600 -0.402 0.000 0.987 339 S CA 0.100 58.173 58.200 -0.212 0.000 0.929 339 S CB 0.130 63.456 63.200 0.210 0.000 0.832 339 S HN 0.784 nan 8.310 nan 0.000 0.492 340 E N -0.187 119.585 120.200 -0.714 0.000 2.481 340 E HA 0.582 4.932 4.350 0.001 0.000 0.301 340 E C -1.954 173.992 176.600 -1.091 0.000 0.948 340 E CA -0.355 55.516 56.400 -0.883 0.000 0.804 340 E CB 1.750 30.758 29.700 -1.154 0.000 1.265 340 E HN 0.357 nan 8.360 nan 0.000 0.406 341 A N 2.171 124.298 122.820 -1.154 0.000 2.549 341 A HA 0.868 5.189 4.320 0.001 0.000 0.297 341 A C -1.106 176.022 177.584 -0.761 0.000 1.061 341 A CA -0.436 50.591 52.037 -1.683 0.000 0.690 341 A CB 1.035 18.497 19.000 -2.563 0.000 1.287 341 A HN 0.901 nan 8.150 nan 0.000 0.402 342 C N 0.101 119.228 119.300 -0.289 0.000 3.284 342 C HA 0.850 5.310 4.460 0.001 0.000 0.338 342 C C -0.278 175.114 174.990 0.670 0.000 1.237 342 C CA -0.191 59.020 59.018 0.321 0.000 1.276 342 C CB 0.523 28.533 27.740 0.450 0.000 1.601 342 C HN 1.912 nan 8.230 nan 0.000 0.494 343 V N 0.071 120.338 119.914 0.589 0.000 3.211 343 V HA 0.971 5.091 4.120 0.001 0.000 0.319 343 V C 1.123 177.389 176.094 0.286 0.000 1.096 343 V CA 0.415 63.009 62.300 0.491 0.000 1.029 343 V CB 0.711 32.754 31.823 0.367 0.000 1.137 343 V HN 2.931 nan 8.190 nan 0.000 0.453 344 G N 0.970 109.865 108.800 0.158 0.000 2.162 344 G HA2 -0.281 3.679 3.960 0.001 0.000 0.260 344 G HA3 -0.281 3.679 3.960 0.001 0.000 0.260 344 G C 0.842 175.783 174.900 0.069 0.000 0.976 344 G CA 1.123 46.267 45.100 0.074 0.000 0.655 344 G HN 1.673 nan 8.290 nan 0.000 0.533 345 S N -0.689 115.080 115.700 0.115 0.000 2.428 345 S HA 0.184 4.654 4.470 0.001 0.000 0.230 345 S C 1.172 175.698 174.600 -0.123 0.000 1.014 345 S CA 0.804 59.054 58.200 0.082 0.000 0.957 345 S CB 0.314 63.643 63.200 0.216 0.000 0.784 345 S HN 0.387 nan 8.310 nan 0.000 0.499 346 K N 2.483 122.673 120.400 -0.350 0.000 2.382 346 K HA 0.141 4.461 4.320 0.001 0.000 0.275 346 K C 0.941 177.080 176.600 -0.769 0.000 1.009 346 K CA -0.631 55.144 56.287 -0.854 0.000 0.970 346 K CB 0.065 31.584 32.500 -1.634 0.000 0.934 346 K HN 0.385 nan 8.250 nan 0.000 0.479 347 F N 0.795 120.430 119.950 -0.525 0.000 2.269 347 F HA -0.114 4.413 4.527 0.000 0.000 0.301 347 F C 1.470 177.238 175.800 -0.054 0.000 1.082 347 F CA 0.436 58.327 58.000 -0.182 0.000 1.360 347 F CB -0.802 38.189 39.000 -0.015 0.000 1.041 347 F HN 0.665 nan 8.300 nan 0.000 0.512 348 W N 1.174 122.326 121.300 -0.246 0.000 3.139 348 W HA 0.389 5.051 4.660 0.003 0.000 0.260 348 W C 0.052 176.561 176.519 -0.018 0.000 1.312 348 W CA -0.676 56.649 57.345 -0.033 0.000 1.606 348 W CB -1.037 28.317 29.460 -0.178 0.000 1.118 348 W HN -0.062 nan 8.180 nan 0.000 0.675 349 E N 1.776 121.782 120.200 -0.322 0.000 2.313 349 E HA 0.067 4.417 4.350 0.001 0.000 0.272 349 E C -0.121 176.469 176.600 -0.018 0.000 1.038 349 E CA -0.594 55.720 56.400 -0.142 0.000 0.863 349 E CB 0.740 30.289 29.700 -0.252 0.000 1.060 349 E HN 0.023 nan 8.360 nan 0.000 0.402 350 Q N 1.501 121.315 119.800 0.023 0.000 2.289 350 Q HA 0.002 4.343 4.340 0.001 0.000 0.273 350 Q C 0.397 176.406 176.000 0.015 0.000 1.029 350 Q CA -0.012 55.810 55.803 0.032 0.000 0.896 350 Q CB 0.737 29.485 28.738 0.017 0.000 1.182 350 Q HN 0.609 nan 8.270 nan 0.000 0.385 351 S N 1.966 117.701 115.700 0.057 0.000 2.353 351 S HA -0.075 4.396 4.470 0.001 0.000 0.222 351 S C 0.382 175.008 174.600 0.043 0.000 1.035 351 S CA 0.682 58.935 58.200 0.089 0.000 1.025 351 S CB 0.340 63.642 63.200 0.170 0.000 0.902 351 S HN 0.503 nan 8.310 nan 0.000 0.440 352 V N 1.858 121.770 119.914 -0.005 0.000 2.483 352 V HA 0.428 4.549 4.120 0.001 0.000 0.297 352 V C -0.429 175.579 176.094 -0.144 0.000 1.027 352 V CA -0.586 61.682 62.300 -0.053 0.000 0.855 352 V CB 1.586 33.381 31.823 -0.047 0.000 0.995 352 V HN 0.164 nan 8.190 nan 0.000 0.424 353 R N 4.642 124.996 120.500 -0.242 0.000 2.396 353 R HA 0.483 4.824 4.340 0.001 0.000 0.292 353 R C -0.776 175.306 176.300 -0.363 0.000 1.240 353 R CA -0.559 55.200 56.100 -0.568 0.000 1.270 353 R CB 1.056 30.906 30.300 -0.751 0.000 1.108 353 R HN 0.627 nan 8.270 nan 0.000 0.573 354 L N 2.227 123.350 121.223 -0.167 0.000 2.615 354 L HA -0.010 4.331 4.340 0.001 0.000 0.271 354 L C 1.297 178.268 176.870 0.170 0.000 1.183 354 L CA 1.006 55.783 54.840 -0.104 0.000 0.933 354 L CB 0.425 42.155 42.059 -0.549 0.000 1.199 354 L HN 0.998 nan 8.230 nan 0.000 0.487 355 G N 2.010 110.898 108.800 0.147 0.000 2.159 355 G HA2 -0.271 3.689 3.960 0.001 0.000 0.227 355 G HA3 -0.271 3.689 3.960 0.001 0.000 0.227 355 G C 0.387 175.439 174.900 0.254 0.000 0.986 355 G CA 0.131 45.382 45.100 0.252 0.000 0.651 355 G HN 0.646 nan 8.290 nan 0.000 0.523 356 S N 0.127 115.906 115.700 0.133 0.000 2.466 356 S HA 0.215 4.685 4.470 0.001 0.000 0.286 356 S C 1.301 175.990 174.600 0.147 0.000 1.221 356 S CA 0.496 58.755 58.200 0.098 0.000 1.091 356 S CB -0.188 62.970 63.200 -0.070 0.000 0.956 356 S HN 0.422 nan 8.310 nan 0.000 0.501 357 W N 4.469 125.776 121.300 0.011 0.000 2.381 357 W HA -0.165 4.495 4.660 0.000 0.000 0.301 357 W C 1.490 177.951 176.519 -0.097 0.000 1.205 357 W CA 1.692 59.032 57.345 -0.008 0.000 1.285 357 W CB -0.383 29.077 29.460 -0.000 0.000 1.133 357 W HN 0.910 nan 8.180 nan 0.000 0.521 358 D N -0.040 120.346 120.400 -0.023 0.000 2.104 358 D HA -0.237 4.404 4.640 0.001 0.000 0.194 358 D C 2.223 178.411 176.300 -0.187 0.000 0.994 358 D CA 2.151 56.078 54.000 -0.121 0.000 0.830 358 D CB -0.161 40.612 40.800 -0.045 0.000 0.959 358 D HN 0.025 nan 8.370 nan 0.000 0.452 359 R N -0.328 120.080 120.500 -0.153 0.000 2.096 359 R HA -0.025 4.315 4.340 0.001 0.000 0.235 359 R C 2.528 178.639 176.300 -0.316 0.000 1.127 359 R CA 1.145 57.154 56.100 -0.151 0.000 0.968 359 R CB -0.548 29.679 30.300 -0.122 0.000 0.861 359 R HN 0.268 nan 8.270 nan 0.000 0.440 360 G N 1.232 109.716 108.800 -0.527 0.000 2.459 360 G HA2 -0.279 3.682 3.960 0.001 0.000 0.217 360 G HA3 -0.279 3.682 3.960 0.001 0.000 0.217 360 G C 1.448 175.709 174.900 -1.065 0.000 1.183 360 G CA 0.851 45.414 45.100 -0.895 0.000 0.776 360 G HN 0.167 nan 8.290 nan 0.000 0.552 361 M N 0.017 119.020 119.600 -0.994 0.000 2.213 361 M HA -0.105 4.376 4.480 0.001 0.000 0.263 361 M C 2.717 178.984 176.300 -0.055 0.000 1.062 361 M CA 1.229 56.261 55.300 -0.447 0.000 1.105 361 M CB -0.419 32.019 32.600 -0.269 0.000 1.385 361 M HN 0.314 nan 8.290 nan 0.000 0.417 362 Q N -0.428 119.378 119.800 0.011 0.000 2.050 362 Q HA -0.191 4.149 4.340 0.001 0.000 0.202 362 Q C 1.968 178.256 176.000 0.480 0.000 0.980 362 Q CA 1.539 57.506 55.803 0.273 0.000 0.840 362 Q CB -0.206 28.735 28.738 0.337 0.000 0.898 362 Q HN 0.459 nan 8.270 nan 0.000 0.424 363 Y N 0.793 121.152 120.300 0.098 0.000 2.070 363 Y HA -0.258 4.292 4.550 0.001 0.000 0.280 363 Y C 2.882 178.622 175.900 -0.267 0.000 1.148 363 Y CA 1.484 59.525 58.100 -0.098 0.000 1.125 363 Y CB -0.983 37.372 38.460 -0.174 0.000 0.975 363 Y HN 0.198 nan 8.280 nan 0.000 0.492 364 S N -1.217 114.530 115.700 0.079 0.000 2.383 364 S HA -0.233 4.238 4.470 0.001 0.000 0.227 364 S C 1.872 176.503 174.600 0.051 0.000 1.026 364 S CA 1.312 59.560 58.200 0.079 0.000 0.981 364 S CB -0.948 62.549 63.200 0.495 0.000 0.818 364 S HN 0.609 nan 8.310 nan 0.000 0.472 365 H N 2.012 121.118 119.070 0.060 0.000 2.319 365 H HA -0.023 4.534 4.556 0.001 0.000 0.299 365 H C 2.400 177.752 175.328 0.040 0.000 1.092 365 H CA 1.901 57.989 56.048 0.067 0.000 1.302 365 H CB -0.802 29.012 29.762 0.087 0.000 1.373 365 H HN 0.429 nan 8.280 nan 0.000 0.497 366 S N -0.583 115.108 115.700 -0.015 0.000 2.353 366 S HA -0.153 4.318 4.470 0.001 0.000 0.222 366 S C 2.311 176.780 174.600 -0.217 0.000 1.035 366 S CA 1.692 59.904 58.200 0.019 0.000 1.025 366 S CB -0.522 62.954 63.200 0.461 0.000 0.902 366 S HN 0.494 nan 8.310 nan 0.000 0.440 367 I N 1.149 121.322 120.570 -0.662 0.000 2.163 367 I HA -0.215 3.956 4.170 0.001 0.000 0.243 367 I C 2.279 178.103 176.117 -0.489 0.000 1.085 367 I CA 1.557 62.302 61.300 -0.925 0.000 1.347 367 I CB -0.467 36.557 38.000 -1.625 0.000 1.044 367 I HN 0.346 nan 8.210 nan 0.000 0.408 368 I N 0.268 120.629 120.570 -0.348 0.000 2.208 368 I HA -0.298 3.872 4.170 0.001 0.000 0.245 368 I C 2.560 178.624 176.117 -0.087 0.000 1.097 368 I CA 1.682 62.934 61.300 -0.080 0.000 1.363 368 I CB -0.582 37.463 38.000 0.075 0.000 1.051 368 I HN 0.259 nan 8.210 nan 0.000 0.413 369 T N 0.439 114.904 114.554 -0.149 0.000 2.746 369 T HA -0.144 4.206 4.350 0.001 0.000 0.267 369 T C 1.746 176.479 174.700 0.056 0.000 1.039 369 T CA 1.325 63.389 62.100 -0.060 0.000 1.142 369 T CB -0.371 68.385 68.868 -0.186 0.000 0.866 369 T HN 0.351 nan 8.240 nan 0.000 0.444 370 N N 1.215 119.924 118.700 0.015 0.000 2.043 370 N HA -0.055 4.686 4.740 0.001 0.000 0.193 370 N C 1.970 177.495 175.510 0.025 0.000 1.037 370 N CA 1.144 54.234 53.050 0.066 0.000 0.851 370 N CB -0.399 38.161 38.487 0.121 0.000 1.027 370 N HN 0.332 nan 8.380 nan 0.000 0.422 371 L N 1.222 122.429 121.223 -0.025 0.000 2.079 371 L HA -0.161 4.179 4.340 0.001 0.000 0.210 371 L C 2.281 179.042 176.870 -0.180 0.000 1.081 371 L CA 0.943 55.754 54.840 -0.049 0.000 0.752 371 L CB -0.430 41.635 42.059 0.010 0.000 0.896 371 L HN 0.169 nan 8.230 nan 0.000 0.433 372 L N -1.816 119.281 121.223 -0.211 0.000 2.376 372 L HA -0.161 4.179 4.340 0.001 0.000 0.219 372 L C 0.848 177.177 176.870 -0.901 0.000 1.133 372 L CA 0.762 55.315 54.840 -0.478 0.000 0.816 372 L CB -0.157 41.687 42.059 -0.358 0.000 0.933 372 L HN 0.249 nan 8.230 nan 0.000 0.449 373 Y N -1.036 119.049 120.300 -0.358 0.000 2.774 373 Y HA 0.227 4.777 4.550 0.001 0.000 0.305 373 Y C 0.391 176.147 175.900 -0.241 0.000 1.067 373 Y CA -0.636 57.243 58.100 -0.369 0.000 1.304 373 Y CB -0.378 38.026 38.460 -0.093 0.000 1.209 373 Y HN 0.159 nan 8.280 nan 0.000 0.543 374 H N -2.995 116.017 119.070 -0.097 0.000 3.433 374 H HA -0.136 4.421 4.556 0.001 0.000 0.197 374 H C -0.097 175.233 175.328 0.004 0.000 1.059 374 H CA 0.448 56.429 56.048 -0.112 0.000 1.185 374 H CB -1.647 27.946 29.762 -0.282 0.000 1.106 374 H HN 0.080 nan 8.280 nan 0.000 0.329 375 V N 2.632 122.603 119.914 0.096 0.000 2.614 375 V HA 0.071 4.191 4.120 0.001 0.000 0.291 375 V C 1.980 178.115 176.094 0.068 0.000 1.049 375 V CA 0.633 62.991 62.300 0.096 0.000 1.038 375 V CB 1.626 33.491 31.823 0.069 0.000 0.980 375 V HN 0.328 nan 8.190 nan 0.000 0.481 376 V N 1.830 121.809 119.914 0.108 0.000 3.506 376 V HA 0.611 4.732 4.120 0.001 0.000 0.263 376 V C 0.697 176.787 176.094 -0.007 0.000 1.203 376 V CA 1.025 63.378 62.300 0.088 0.000 1.133 376 V CB -0.213 31.707 31.823 0.161 0.000 0.802 376 V HN 0.945 nan 8.190 nan 0.000 0.459 377 G N -1.484 107.266 108.800 -0.083 0.000 2.623 377 G HA2 0.479 4.440 3.960 0.001 0.000 0.290 377 G HA3 0.479 4.440 3.960 0.001 0.000 0.290 377 G C -2.604 171.931 174.900 -0.607 0.000 1.437 377 G CA -0.609 44.252 45.100 -0.398 0.000 0.798 377 G HN 0.335 nan 8.290 nan 0.000 0.488 378 W N 0.773 121.597 121.300 -0.793 0.000 3.259 378 W HA 0.613 5.273 4.660 0.001 0.000 0.331 378 W C -0.842 175.401 176.519 -0.460 0.000 1.144 378 W CA -0.459 56.531 57.345 -0.592 0.000 1.227 378 W CB 2.399 31.678 29.460 -0.301 0.000 1.371 378 W HN 0.571 nan 8.180 nan 0.000 0.491 379 T N 4.283 118.472 114.554 -0.608 0.000 2.809 379 T HA 0.141 4.492 4.350 0.001 0.000 0.284 379 T C -0.637 173.679 174.700 -0.641 0.000 0.992 379 T CA -0.494 61.358 62.100 -0.414 0.000 0.957 379 T CB 1.389 70.106 68.868 -0.251 0.000 0.942 379 T HN 0.380 nan 8.240 nan 0.000 0.439 380 D N 1.124 121.338 120.400 -0.310 0.000 2.363 380 D HA 0.134 4.775 4.640 0.001 0.000 0.240 380 D C 0.339 176.609 176.300 -0.050 0.000 1.236 380 D CA -0.473 53.387 54.000 -0.234 0.000 0.927 380 D CB 0.820 41.700 40.800 0.134 0.000 1.150 380 D HN 0.549 nan 8.370 nan 0.000 0.458 381 W N 1.090 122.250 121.300 -0.233 0.000 1.677 381 W HA 0.119 4.779 4.660 0.001 0.000 0.641 381 W C 0.209 176.659 176.519 -0.115 0.000 1.432 381 W CA -0.720 56.530 57.345 -0.159 0.000 1.360 381 W CB 0.040 29.417 29.460 -0.137 0.000 3.422 381 W HN 0.234 nan 8.180 nan 0.000 0.773 382 N N 2.791 121.072 118.700 -0.698 0.000 2.217 382 N HA -0.146 4.594 4.740 0.001 0.000 0.268 382 N C 0.927 176.316 175.510 -0.203 0.000 1.290 382 N CA 0.684 53.356 53.050 -0.630 0.000 0.831 382 N CB 0.706 38.690 38.487 -0.838 0.000 1.057 382 N HN 0.343 nan 8.380 nan 0.000 0.481 383 L N 1.147 122.293 121.223 -0.128 0.000 2.079 383 L HA -0.143 4.198 4.340 0.001 0.000 0.210 383 L C 1.111 178.069 176.870 0.146 0.000 1.081 383 L CA 1.160 55.995 54.840 -0.008 0.000 0.752 383 L CB -0.176 41.853 42.059 -0.051 0.000 0.896 383 L HN 0.631 nan 8.230 nan 0.000 0.433 384 A N -1.052 121.783 122.820 0.025 0.000 2.594 384 A HA 0.762 5.082 4.320 0.001 0.000 0.295 384 A C -1.182 176.385 177.584 -0.029 0.000 1.071 384 A CA -0.480 51.579 52.037 0.037 0.000 0.685 384 A CB 1.529 20.546 19.000 0.028 0.000 1.285 384 A HN -0.007 nan 8.150 nan 0.000 0.405 385 L N 0.771 121.994 121.223 -0.000 0.000 2.403 385 L HA 0.467 4.808 4.340 0.001 0.000 0.253 385 L C -0.199 176.683 176.870 0.019 0.000 1.045 385 L CA -1.224 53.617 54.840 0.003 0.000 0.845 385 L CB 2.357 44.419 42.059 0.005 0.000 1.447 385 L HN 1.011 nan 8.230 nan 0.000 0.411 386 N N -0.278 118.427 118.700 0.009 0.000 2.379 386 N HA 0.280 5.021 4.740 0.001 0.000 0.260 386 N C -2.393 173.102 175.510 -0.025 0.000 1.254 386 N CA -1.522 51.524 53.050 -0.007 0.000 0.958 386 N CB -0.173 38.297 38.487 -0.029 0.000 1.208 386 N HN 0.177 nan 8.380 nan 0.000 0.532 387 P HA -0.105 nan 4.420 nan 0.000 0.228 387 P C 0.531 177.776 177.300 -0.093 0.000 1.151 387 P CA 1.104 64.179 63.100 -0.041 0.000 0.770 387 P CB 0.065 31.755 31.700 -0.017 0.000 0.786 388 E N -0.235 119.865 120.200 -0.166 0.000 2.474 388 E HA 0.089 4.440 4.350 0.001 0.000 0.194 388 E C 0.960 177.347 176.600 -0.354 0.000 1.041 388 E CA 0.615 56.835 56.400 -0.299 0.000 0.874 388 E CB -0.601 28.820 29.700 -0.465 0.000 0.914 388 E HN 0.105 nan 8.360 nan 0.000 0.498 389 G N 0.092 108.796 108.800 -0.161 0.000 2.132 389 G HA2 -0.201 3.759 3.960 0.001 0.000 0.228 389 G HA3 -0.201 3.759 3.960 0.001 0.000 0.228 389 G C 0.247 175.269 174.900 0.203 0.000 1.000 389 G CA 0.032 45.159 45.100 0.044 0.000 0.693 389 G HN 0.657 nan 8.290 nan 0.000 0.515 390 G N -0.671 108.121 108.800 -0.014 0.000 3.251 390 G HA2 0.877 4.838 3.960 0.001 0.000 0.248 390 G HA3 0.877 4.838 3.960 0.001 0.000 0.248 390 G C -2.725 172.266 174.900 0.152 0.000 1.320 390 G CA -0.512 44.694 45.100 0.176 0.000 0.982 390 G HN 0.235 nan 8.290 nan 0.000 0.575 391 P HA 0.171 nan 4.420 nan 0.000 0.274 391 P C -1.032 176.382 177.300 0.190 0.000 1.246 391 P CA -0.160 63.050 63.100 0.184 0.000 0.795 391 P CB 1.192 32.967 31.700 0.124 0.000 1.006 392 N N 0.926 119.708 118.700 0.135 0.000 2.718 392 N HA 0.009 4.749 4.740 0.001 0.000 0.260 392 N C 0.728 176.133 175.510 -0.176 0.000 1.089 392 N CA -0.512 52.397 53.050 -0.235 0.000 1.021 392 N CB 0.682 38.775 38.487 -0.656 0.000 1.618 392 N HN 0.578 nan 8.380 nan 0.000 0.554 393 W N 4.105 125.270 121.300 -0.226 0.000 2.465 393 W HA 0.041 4.702 4.660 0.002 0.000 0.268 393 W C 0.503 176.916 176.519 -0.176 0.000 1.242 393 W CA 1.054 58.313 57.345 -0.143 0.000 1.248 393 W CB -0.649 28.754 29.460 -0.094 0.000 1.118 393 W HN 0.247 nan 8.180 nan 0.000 0.587 394 V N -1.008 118.307 119.914 -0.998 0.000 3.376 394 V HA 0.394 4.514 4.120 0.001 0.000 0.313 394 V C 1.081 176.750 176.094 -0.709 0.000 1.393 394 V CA -0.343 61.413 62.300 -0.907 0.000 1.125 394 V CB -0.814 30.358 31.823 -1.086 0.000 1.037 394 V HN 0.190 nan 8.190 nan 0.000 0.440 395 R N 0.837 120.854 120.500 -0.805 0.000 3.651 395 R HA -0.221 4.120 4.340 0.001 0.000 0.292 395 R C 0.421 175.926 176.300 -1.325 0.000 1.161 395 R CA 1.057 56.358 56.100 -1.330 0.000 0.787 395 R CB -2.575 27.252 30.300 -0.788 0.000 1.249 395 R HN 0.814 nan 8.270 nan 0.000 0.476 396 N N 1.066 119.164 118.700 -1.003 0.000 3.331 396 N HA 0.090 4.831 4.740 0.001 0.000 0.303 396 N C -0.409 174.880 175.510 -0.369 0.000 1.326 396 N CA -0.186 52.490 53.050 -0.623 0.000 1.207 396 N CB 0.119 38.250 38.487 -0.594 0.000 1.477 396 N HN 0.111 nan 8.380 nan 0.000 0.541 397 F N 0.945 120.851 119.950 -0.073 0.000 2.529 397 F HA 0.115 4.642 4.527 0.001 0.000 0.365 397 F C 1.110 177.018 175.800 0.179 0.000 1.102 397 F CA -0.674 57.375 58.000 0.082 0.000 1.271 397 F CB 0.722 39.745 39.000 0.038 0.000 1.120 397 F HN -0.039 nan 8.300 nan 0.000 0.579 398 V N -0.973 119.238 119.914 0.495 0.000 3.105 398 V HA 0.578 4.699 4.120 0.001 0.000 0.311 398 V C -1.059 175.163 176.094 0.214 0.000 1.287 398 V CA -0.950 61.547 62.300 0.329 0.000 1.066 398 V CB 1.854 33.911 31.823 0.389 0.000 1.105 398 V HN 0.545 nan 8.190 nan 0.000 0.462 399 D N 0.122 120.620 120.400 0.164 0.000 2.340 399 D HA 0.717 5.358 4.640 0.001 0.000 0.251 399 D C -0.673 175.681 176.300 0.091 0.000 1.080 399 D CA 0.247 54.305 54.000 0.096 0.000 0.971 399 D CB 1.949 42.786 40.800 0.061 0.000 1.137 399 D HN 0.925 nan 8.370 nan 0.000 0.475 400 S N 0.041 115.779 115.700 0.065 0.000 2.541 400 S HA 0.454 4.924 4.470 0.001 0.000 0.271 400 S C -2.331 172.338 174.600 0.115 0.000 1.133 400 S CA -1.250 57.001 58.200 0.086 0.000 0.876 400 S CB 1.741 64.965 63.200 0.040 0.000 1.105 400 S HN 0.106 nan 8.310 nan 0.000 0.470 401 P HA 0.174 nan 4.420 nan 0.000 0.225 401 P C -0.311 177.115 177.300 0.210 0.000 1.148 401 P CA 0.986 64.225 63.100 0.231 0.000 0.779 401 P CB 0.006 31.950 31.700 0.407 0.000 0.780 402 I N -0.124 120.559 120.570 0.189 0.000 2.499 402 I HA 0.256 4.426 4.170 0.001 0.000 0.288 402 I C -0.573 175.613 176.117 0.114 0.000 1.048 402 I CA -0.968 60.400 61.300 0.113 0.000 1.062 402 I CB 2.350 40.361 38.000 0.018 0.000 1.238 402 I HN -0.310 nan 8.210 nan 0.000 0.426 403 I N 6.924 127.585 120.570 0.152 0.000 2.378 403 I HA 0.357 4.527 4.170 0.001 0.000 0.291 403 I C 0.005 176.205 176.117 0.139 0.000 0.992 403 I CA -0.750 60.638 61.300 0.146 0.000 1.154 403 I CB 1.856 39.964 38.000 0.181 0.000 1.315 403 I HN 0.119 nan 8.210 nan 0.000 0.448 404 V N 5.598 125.559 119.914 0.078 0.000 2.439 404 V HA 0.261 4.381 4.120 0.001 0.000 0.282 404 V C 0.000 176.117 176.094 0.038 0.000 1.039 404 V CA -0.470 61.858 62.300 0.046 0.000 0.913 404 V CB 1.820 33.656 31.823 0.021 0.000 0.983 404 V HN 0.601 nan 8.190 nan 0.000 0.460 405 D N 4.128 124.524 120.400 -0.006 0.000 2.479 405 D HA 0.230 4.870 4.640 0.001 0.000 0.247 405 D C 0.861 177.175 176.300 0.024 0.000 1.119 405 D CA -0.271 53.751 54.000 0.036 0.000 0.922 405 D CB 1.105 41.949 40.800 0.072 0.000 1.014 405 D HN 0.539 nan 8.370 nan 0.000 0.510 406 I N 2.489 123.077 120.570 0.029 0.000 2.286 406 I HA -0.230 3.941 4.170 0.001 0.000 0.248 406 I C 1.862 177.995 176.117 0.026 0.000 1.115 406 I CA 1.560 62.875 61.300 0.025 0.000 1.392 406 I CB 0.140 38.153 38.000 0.022 0.000 1.065 406 I HN 0.339 nan 8.210 nan 0.000 0.418 407 T N -2.222 112.351 114.554 0.031 0.000 3.051 407 T HA -0.092 4.259 4.350 0.001 0.000 0.269 407 T C 1.460 176.179 174.700 0.032 0.000 1.127 407 T CA 0.877 62.995 62.100 0.031 0.000 1.107 407 T CB -0.284 68.604 68.868 0.034 0.000 0.898 407 T HN 0.450 nan 8.240 nan 0.000 0.517 408 K N 0.336 120.755 120.400 0.032 0.000 2.374 408 K HA 0.150 4.471 4.320 0.001 0.000 0.202 408 K C 0.111 176.717 176.600 0.009 0.000 1.040 408 K CA 0.155 56.459 56.287 0.027 0.000 1.085 408 K CB 0.384 32.911 32.500 0.046 0.000 0.873 408 K HN 0.130 nan 8.250 nan 0.000 0.539 409 D N 2.064 122.472 120.400 0.013 0.000 2.686 409 D HA -0.137 4.503 4.640 0.001 0.000 0.235 409 D C -1.187 175.114 176.300 0.001 0.000 1.160 409 D CA 1.081 55.093 54.000 0.020 0.000 0.645 409 D CB -0.824 39.991 40.800 0.024 0.000 1.039 409 D HN 0.108 nan 8.370 nan 0.000 0.423 410 T N 0.452 114.976 114.554 -0.049 0.000 2.893 410 T HA 0.707 5.058 4.350 0.001 0.000 0.291 410 T C -0.220 174.336 174.700 -0.240 0.000 1.028 410 T CA -0.704 61.275 62.100 -0.201 0.000 0.995 410 T CB 1.224 69.930 68.868 -0.269 0.000 1.051 410 T HN 0.191 nan 8.240 nan 0.000 0.470 411 F N -0.075 119.606 119.950 -0.447 0.000 2.588 411 F HA 0.806 5.334 4.527 0.001 0.000 0.314 411 F C -1.791 173.672 175.800 -0.561 0.000 1.069 411 F CA -1.642 56.074 58.000 -0.473 0.000 0.931 411 F CB 1.127 39.988 39.000 -0.231 0.000 1.260 411 F HN 0.474 nan 8.300 nan 0.000 0.465 412 Y N 1.076 121.454 120.300 0.129 0.000 2.341 412 Y HA 0.503 5.054 4.550 0.001 0.000 0.338 412 Y C -0.470 175.460 175.900 0.051 0.000 0.965 412 Y CA -1.087 57.041 58.100 0.046 0.000 1.108 412 Y CB 1.980 40.466 38.460 0.044 0.000 1.180 412 Y HN 0.448 nan 8.280 nan 0.000 0.458 413 K N 4.262 124.739 120.400 0.129 0.000 2.262 413 K HA 0.251 4.572 4.320 0.001 0.000 0.282 413 K C -0.345 176.387 176.600 0.219 0.000 1.066 413 K CA -0.555 55.713 56.287 -0.032 0.000 0.901 413 K CB 0.856 33.092 32.500 -0.440 0.000 1.089 413 K HN 0.607 nan 8.250 nan 0.000 0.476 414 Q N 2.567 122.499 119.800 0.220 0.000 2.249 414 Q HA 0.106 4.446 4.340 0.001 0.000 0.226 414 Q C -1.722 174.527 176.000 0.414 0.000 0.983 414 Q CA -1.970 53.995 55.803 0.270 0.000 0.930 414 Q CB 0.390 29.219 28.738 0.153 0.000 1.193 414 Q HN 0.258 nan 8.270 nan 0.000 0.508 415 P HA -0.175 nan 4.420 nan 0.000 0.217 415 P C 1.158 178.647 177.300 0.316 0.000 1.148 415 P CA 1.654 65.032 63.100 0.464 0.000 0.828 415 P CB 0.090 31.979 31.700 0.315 0.000 0.783 416 M N -2.686 116.945 119.600 0.051 0.000 2.144 416 M HA -0.207 4.274 4.480 0.001 0.000 0.260 416 M C 2.003 178.397 176.300 0.156 0.000 1.067 416 M CA 1.854 57.089 55.300 -0.108 0.000 1.095 416 M CB -0.968 31.327 32.600 -0.508 0.000 1.365 416 M HN -0.070 nan 8.290 nan 0.000 0.406 417 F N 0.108 120.088 119.950 0.050 0.000 2.102 417 F HA -0.253 4.275 4.527 0.001 0.000 0.298 417 F C 1.878 177.616 175.800 -0.104 0.000 1.105 417 F CA 1.639 59.600 58.000 -0.065 0.000 1.239 417 F CB -0.326 38.489 39.000 -0.308 0.000 0.991 417 F HN -0.004 nan 8.300 nan 0.000 0.474 418 Y N -0.712 119.831 120.300 0.405 0.000 2.263 418 Y HA -0.170 4.381 4.550 0.001 0.000 0.292 418 Y C 2.775 178.849 175.900 0.289 0.000 1.130 418 Y CA 1.677 59.975 58.100 0.329 0.000 1.179 418 Y CB -0.993 37.717 38.460 0.417 0.000 0.998 418 Y HN 0.146 nan 8.280 nan 0.000 0.532 419 H N -0.310 118.948 119.070 0.313 0.000 2.319 419 H HA -0.176 4.381 4.556 0.001 0.000 0.299 419 H C 2.324 177.829 175.328 0.295 0.000 1.092 419 H CA 1.823 58.016 56.048 0.242 0.000 1.302 419 H CB -0.390 29.407 29.762 0.058 0.000 1.373 419 H HN 0.328 nan 8.280 nan 0.000 0.497 420 L N -0.000 121.389 121.223 0.278 0.000 1.989 420 L HA -0.153 4.188 4.340 0.001 0.000 0.211 420 L C 2.893 179.789 176.870 0.044 0.000 1.071 420 L CA 1.349 56.271 54.840 0.138 0.000 0.749 420 L CB -0.729 41.413 42.059 0.139 0.000 0.890 420 L HN 0.319 nan 8.230 nan 0.000 0.431 421 G N -1.934 106.792 108.800 -0.124 0.000 2.485 421 G HA2 -0.283 3.678 3.960 0.001 0.000 0.221 421 G HA3 -0.283 3.678 3.960 0.001 0.000 0.221 421 G C 1.363 176.157 174.900 -0.177 0.000 1.115 421 G CA 0.609 45.556 45.100 -0.255 0.000 0.751 421 G HN 0.470 nan 8.290 nan 0.000 0.567 422 H N -0.951 118.094 119.070 -0.043 0.000 2.521 422 H HA 0.018 4.574 4.556 0.001 0.000 0.286 422 H C 1.861 176.971 175.328 -0.364 0.000 1.034 422 H CA 1.057 57.041 56.048 -0.107 0.000 1.278 422 H CB 0.131 29.736 29.762 -0.261 0.000 1.386 422 H HN 0.489 nan 8.280 nan 0.000 0.567 423 F N -0.107 119.740 119.950 -0.172 0.000 2.399 423 F HA -0.061 4.467 4.527 0.001 0.000 0.282 423 F C 2.847 178.216 175.800 -0.718 0.000 1.027 423 F CA 0.689 58.401 58.000 -0.480 0.000 1.333 423 F CB -0.658 37.826 39.000 -0.860 0.000 1.132 423 F HN 0.006 nan 8.300 nan 0.000 0.590 424 S N 0.539 115.865 115.700 -0.623 0.000 2.383 424 S HA -0.264 4.206 4.470 0.001 0.000 0.229 424 S C 1.994 176.418 174.600 -0.293 0.000 1.030 424 S CA 1.563 59.509 58.200 -0.423 0.000 1.002 424 S CB -0.649 62.503 63.200 -0.080 0.000 0.829 424 S HN 0.378 nan 8.310 nan 0.000 0.467 425 K N 0.233 120.319 120.400 -0.523 0.000 2.148 425 K HA 0.082 4.403 4.320 0.001 0.000 0.204 425 K C 0.727 176.819 176.600 -0.847 0.000 1.050 425 K CA 1.225 56.990 56.287 -0.870 0.000 0.942 425 K CB -0.150 31.408 32.500 -1.570 0.000 0.724 425 K HN 0.552 nan 8.250 nan 0.000 0.446 426 F N -0.308 119.512 119.950 -0.218 0.000 2.706 426 F HA 0.327 4.854 4.527 0.001 0.000 0.313 426 F C 0.031 175.816 175.800 -0.025 0.000 1.096 426 F CA -0.487 57.449 58.000 -0.108 0.000 1.219 426 F CB 0.905 39.808 39.000 -0.162 0.000 1.051 426 F HN -0.183 nan 8.300 nan 0.000 0.568 427 I N 3.198 123.792 120.570 0.041 0.000 2.698 427 I HA 0.232 4.402 4.170 0.001 0.000 0.276 427 I C -2.481 173.670 176.117 0.057 0.000 1.166 427 I CA -1.885 59.449 61.300 0.057 0.000 1.101 427 I CB 0.899 39.049 38.000 0.250 0.000 1.305 427 I HN -0.225 nan 8.210 nan 0.000 0.526 428 P HA 0.075 nan 4.420 nan 0.000 0.274 428 P C -0.170 177.094 177.300 -0.060 0.000 1.246 428 P CA -0.289 62.761 63.100 -0.084 0.000 0.795 428 P CB 0.882 32.491 31.700 -0.152 0.000 1.006 429 E N -0.053 120.118 120.200 -0.048 0.000 2.502 429 E HA 0.125 4.476 4.350 0.001 0.000 0.261 429 E C 1.113 177.678 176.600 -0.058 0.000 0.974 429 E CA 1.093 57.451 56.400 -0.069 0.000 0.936 429 E CB -0.662 28.980 29.700 -0.097 0.000 0.926 429 E HN 0.780 nan 8.360 nan 0.000 0.459 430 G N 2.968 111.742 108.800 -0.044 0.000 2.225 430 G HA2 -0.302 3.658 3.960 0.001 0.000 0.254 430 G HA3 -0.302 3.658 3.960 0.001 0.000 0.254 430 G C 0.336 175.229 174.900 -0.013 0.000 0.988 430 G CA 0.239 45.327 45.100 -0.020 0.000 0.625 430 G HN 0.618 nan 8.290 nan 0.000 0.527 431 S N -0.002 115.677 115.700 -0.035 0.000 2.569 431 S HA 0.447 4.918 4.470 0.001 0.000 0.274 431 S C 0.202 174.820 174.600 0.030 0.000 1.353 431 S CA 0.769 58.957 58.200 -0.021 0.000 1.023 431 S CB 1.453 64.624 63.200 -0.048 0.000 0.876 431 S HN 0.746 nan 8.310 nan 0.000 0.540 432 Q N 0.872 120.703 119.800 0.052 0.000 2.305 432 Q HA 0.369 4.710 4.340 0.001 0.000 0.271 432 Q C -0.818 175.243 176.000 0.102 0.000 1.046 432 Q CA -0.720 55.129 55.803 0.076 0.000 0.798 432 Q CB 1.331 30.109 28.738 0.065 0.000 1.286 432 Q HN 0.646 nan 8.270 nan 0.000 0.435 433 R N 2.427 123.009 120.500 0.136 0.000 2.490 433 R HA 0.461 4.801 4.340 0.001 0.000 0.280 433 R C -0.538 175.925 176.300 0.271 0.000 1.077 433 R CA -0.051 56.144 56.100 0.157 0.000 1.065 433 R CB 0.731 31.097 30.300 0.110 0.000 1.003 433 R HN 0.511 nan 8.270 nan 0.000 0.470 434 V N 0.560 120.618 119.914 0.239 0.000 3.126 434 V HA 0.746 4.866 4.120 0.001 0.000 0.314 434 V C 0.259 176.542 176.094 0.314 0.000 1.138 434 V CA -0.785 61.691 62.300 0.294 0.000 1.034 434 V CB 1.438 33.341 31.823 0.133 0.000 1.075 434 V HN 0.855 nan 8.190 nan 0.000 0.442 435 G N 0.327 109.351 108.800 0.373 0.000 2.544 435 G HA2 0.527 4.488 3.960 0.001 0.000 0.242 435 G HA3 0.527 4.488 3.960 0.001 0.000 0.242 435 G C -1.084 173.888 174.900 0.121 0.000 1.247 435 G CA -0.101 45.172 45.100 0.287 0.000 0.840 435 G HN 1.283 nan 8.290 nan 0.000 0.578 436 L N 1.754 123.012 121.223 0.058 0.000 2.562 436 L HA 0.560 4.901 4.340 0.001 0.000 0.266 436 L C -0.377 176.504 176.870 0.019 0.000 0.949 436 L CA -0.740 54.123 54.840 0.037 0.000 0.879 436 L CB 2.118 44.193 42.059 0.027 0.000 1.278 436 L HN 0.719 nan 8.230 nan 0.000 0.404 437 V N 1.984 121.912 119.914 0.024 0.000 2.769 437 V HA 1.051 5.172 4.120 0.001 0.000 0.312 437 V C -0.045 176.058 176.094 0.015 0.000 1.061 437 V CA -0.236 62.075 62.300 0.019 0.000 0.931 437 V CB 1.484 33.324 31.823 0.029 0.000 1.010 437 V HN 1.040 nan 8.190 nan 0.000 0.433 438 A N 2.458 125.287 122.820 0.015 0.000 2.312 438 A HA 0.699 5.020 4.320 0.001 0.000 0.328 438 A C 1.103 178.698 177.584 0.018 0.000 1.158 438 A CA 0.007 52.051 52.037 0.013 0.000 0.821 438 A CB 1.477 20.485 19.000 0.014 0.000 1.170 438 A HN 1.845 nan 8.150 nan 0.000 0.490 439 S N 0.548 116.258 115.700 0.018 0.000 2.489 439 S HA 0.094 4.565 4.470 0.001 0.000 0.228 439 S C 0.499 175.113 174.600 0.023 0.000 0.995 439 S CA 0.850 59.065 58.200 0.025 0.000 0.934 439 S CB -0.471 62.747 63.200 0.030 0.000 0.771 439 S HN 0.960 nan 8.310 nan 0.000 0.522 440 Q N -1.275 118.537 119.800 0.020 0.000 2.633 440 Q HA 0.428 4.768 4.340 0.001 0.000 0.289 440 Q C -1.713 174.299 176.000 0.019 0.000 0.940 440 Q CA -1.213 54.602 55.803 0.019 0.000 0.785 440 Q CB 0.738 29.486 28.738 0.018 0.000 1.467 440 Q HN -0.120 nan 8.270 nan 0.000 0.401 441 K N 1.319 121.732 120.400 0.021 0.000 2.436 441 K HA 0.314 4.634 4.320 0.001 0.000 0.275 441 K C -0.468 176.144 176.600 0.020 0.000 0.999 441 K CA 0.756 57.057 56.287 0.023 0.000 0.980 441 K CB -0.538 31.976 32.500 0.024 0.000 0.919 441 K HN 0.892 nan 8.250 nan 0.000 0.484 442 N N -1.348 117.367 118.700 0.024 0.000 2.927 442 N HA 0.266 5.007 4.740 0.001 0.000 0.248 442 N C -1.161 174.367 175.510 0.029 0.000 1.443 442 N CA -0.857 52.206 53.050 0.021 0.000 0.870 442 N CB 1.255 39.753 38.487 0.017 0.000 1.444 442 N HN 0.297 nan 8.380 nan 0.000 0.519 443 D N 0.017 120.432 120.400 0.026 0.000 2.388 443 D HA 0.227 4.867 4.640 0.001 0.000 0.221 443 D C -0.227 176.103 176.300 0.050 0.000 1.133 443 D CA 0.103 54.125 54.000 0.036 0.000 0.831 443 D CB 0.257 41.071 40.800 0.022 0.000 0.962 443 D HN 0.362 nan 8.370 nan 0.000 0.502 444 L N 0.683 121.936 121.223 0.050 0.000 2.357 444 L HA 0.312 4.653 4.340 0.001 0.000 0.273 444 L C 0.220 177.146 176.870 0.093 0.000 1.080 444 L CA -0.628 54.251 54.840 0.064 0.000 0.803 444 L CB 1.072 43.157 42.059 0.043 0.000 1.174 444 L HN -0.310 nan 8.230 nan 0.000 0.443 445 D N 1.769 122.244 120.400 0.125 0.000 2.193 445 D HA 0.670 5.311 4.640 0.001 0.000 0.244 445 D C -0.592 175.780 176.300 0.119 0.000 1.064 445 D CA 0.025 54.110 54.000 0.143 0.000 0.845 445 D CB 2.077 43.006 40.800 0.214 0.000 1.148 445 D HN 0.617 nan 8.370 nan 0.000 0.464 446 A N 1.482 124.358 122.820 0.093 0.000 2.549 446 A HA 0.714 5.035 4.320 0.001 0.000 0.297 446 A C -1.432 176.194 177.584 0.071 0.000 1.061 446 A CA -0.747 51.343 52.037 0.089 0.000 0.690 446 A CB 1.972 21.012 19.000 0.068 0.000 1.287 446 A HN 0.360 nan 8.150 nan 0.000 0.402 447 V N 0.579 120.547 119.914 0.089 0.000 2.888 447 V HA 0.855 4.976 4.120 0.001 0.000 0.309 447 V C -0.515 175.626 176.094 0.078 0.000 1.114 447 V CA 0.140 62.479 62.300 0.065 0.000 0.940 447 V CB 1.897 33.775 31.823 0.092 0.000 1.021 447 V HN 2.055 nan 8.190 nan 0.000 0.426 448 A N 6.211 129.066 122.820 0.058 0.000 2.342 448 A HA 0.982 5.302 4.320 0.001 0.000 0.323 448 A C -1.473 176.148 177.584 0.062 0.000 1.125 448 A CA -0.526 51.549 52.037 0.064 0.000 0.785 448 A CB 1.346 20.389 19.000 0.072 0.000 1.221 448 A HN 0.901 nan 8.150 nan 0.000 0.463 449 L N 1.120 122.371 121.223 0.046 0.000 2.376 449 L HA 0.621 4.962 4.340 0.001 0.000 0.258 449 L C -0.238 176.646 176.870 0.024 0.000 1.013 449 L CA -0.178 54.697 54.840 0.060 0.000 0.822 449 L CB 2.012 44.126 42.059 0.091 0.000 1.388 449 L HN 0.722 nan 8.230 nan 0.000 0.413 450 M N 1.024 120.650 119.600 0.044 0.000 2.205 450 M HA 0.381 4.862 4.480 0.001 0.000 0.344 450 M C -0.391 175.970 176.300 0.102 0.000 1.085 450 M CA -0.501 54.824 55.300 0.041 0.000 1.001 450 M CB 1.219 33.834 32.600 0.025 0.000 1.626 450 M HN 0.513 nan 8.290 nan 0.000 0.442 451 H N 3.341 122.395 119.070 -0.026 0.000 2.757 451 H HA 0.043 4.600 4.556 0.001 0.000 0.370 451 H C -1.602 173.733 175.328 0.013 0.000 1.172 451 H CA -0.703 55.349 56.048 0.006 0.000 1.426 451 H CB 0.887 30.654 29.762 0.007 0.000 1.438 451 H HN 0.429 nan 8.280 nan 0.000 0.612 452 P HA -0.187 nan 4.420 nan 0.000 0.216 452 P C 0.879 178.235 177.300 0.093 0.000 1.153 452 P CA 1.670 64.816 63.100 0.076 0.000 0.858 452 P CB 0.013 31.740 31.700 0.044 0.000 0.789 453 D N -1.523 118.957 120.400 0.134 0.000 2.392 453 D HA -0.012 4.628 4.640 0.001 0.000 0.228 453 D C 1.438 177.779 176.300 0.068 0.000 1.003 453 D CA 1.056 55.110 54.000 0.090 0.000 0.917 453 D CB -1.143 39.710 40.800 0.087 0.000 0.890 453 D HN 0.294 nan 8.370 nan 0.000 0.532 454 G N -0.319 108.527 108.800 0.078 0.000 2.176 454 G HA2 -0.296 3.664 3.960 0.001 0.000 0.253 454 G HA3 -0.296 3.664 3.960 0.001 0.000 0.253 454 G C 0.450 175.354 174.900 0.007 0.000 0.979 454 G CA 0.480 45.605 45.100 0.043 0.000 0.641 454 G HN 0.821 nan 8.290 nan 0.000 0.530 455 S N -0.038 115.662 115.700 -0.001 0.000 2.600 455 S HA 0.774 5.245 4.470 0.001 0.000 0.265 455 S C 0.480 174.894 174.600 -0.309 0.000 1.325 455 S CA 0.346 58.459 58.200 -0.145 0.000 1.002 455 S CB 2.017 65.139 63.200 -0.130 0.000 0.921 455 S HN 1.867 nan 8.310 nan 0.000 0.554 456 A N 0.657 123.077 122.820 -0.668 0.000 2.312 456 A HA 0.716 5.037 4.320 0.001 0.000 0.328 456 A C -0.698 176.462 177.584 -0.706 0.000 1.158 456 A CA -0.820 50.714 52.037 -0.838 0.000 0.821 456 A CB 0.726 18.766 19.000 -1.601 0.000 1.170 456 A HN 0.908 nan 8.150 nan 0.000 0.490 457 V N 2.130 121.828 119.914 -0.360 0.000 2.577 457 V HA 0.505 4.625 4.120 0.001 0.000 0.303 457 V C -0.735 175.339 176.094 -0.033 0.000 1.042 457 V CA -0.479 61.747 62.300 -0.124 0.000 0.872 457 V CB 1.528 33.392 31.823 0.069 0.000 0.998 457 V HN 0.673 nan 8.190 nan 0.000 0.423 458 V N 5.191 125.166 119.914 0.102 0.000 2.588 458 V HA 0.566 4.687 4.120 0.001 0.000 0.304 458 V C -0.425 175.774 176.094 0.174 0.000 1.042 458 V CA -0.625 61.780 62.300 0.175 0.000 0.877 458 V CB 2.279 34.275 31.823 0.287 0.000 0.996 458 V HN 0.620 nan 8.190 nan 0.000 0.425 459 V N 5.276 125.243 119.914 0.089 0.000 2.459 459 V HA 0.588 4.708 4.120 0.001 0.000 0.295 459 V C -0.387 175.760 176.094 0.089 0.000 1.029 459 V CA -0.588 61.714 62.300 0.003 0.000 0.874 459 V CB 1.929 33.587 31.823 -0.274 0.000 0.985 459 V HN 0.600 nan 8.190 nan 0.000 0.438 460 V N 5.964 125.945 119.914 0.112 0.000 2.443 460 V HA 0.467 4.588 4.120 0.001 0.000 0.293 460 V C -0.594 175.541 176.094 0.068 0.000 1.021 460 V CA -0.526 61.847 62.300 0.121 0.000 0.848 460 V CB 1.654 33.586 31.823 0.181 0.000 0.998 460 V HN 0.686 nan 8.190 nan 0.000 0.424 461 L N 4.640 125.923 121.223 0.100 0.000 2.296 461 L HA 0.642 4.982 4.340 0.001 0.000 0.286 461 L C -0.171 176.768 176.870 0.114 0.000 1.023 461 L CA 0.077 54.990 54.840 0.122 0.000 0.812 461 L CB 1.540 43.720 42.059 0.202 0.000 1.223 461 L HN 0.624 nan 8.230 nan 0.000 0.421 462 N N 4.036 122.800 118.700 0.107 0.000 2.439 462 N HA 0.272 5.012 4.740 0.001 0.000 0.249 462 N C 0.405 176.011 175.510 0.160 0.000 1.003 462 N CA -0.134 52.967 53.050 0.085 0.000 0.942 462 N CB 0.962 39.457 38.487 0.013 0.000 1.115 462 N HN 0.676 nan 8.380 nan 0.000 0.505 463 R N 0.781 121.364 120.500 0.137 0.000 2.299 463 R HA 0.040 4.381 4.340 0.001 0.000 0.197 463 R C 0.570 176.984 176.300 0.189 0.000 0.971 463 R CA 0.199 56.407 56.100 0.180 0.000 1.030 463 R CB 0.078 30.436 30.300 0.097 0.000 0.932 463 R HN 0.586 nan 8.270 nan 0.000 0.477 464 S N -0.686 115.030 115.700 0.027 0.000 2.747 464 S HA 0.174 4.645 4.470 0.001 0.000 0.300 464 S C 0.999 175.274 174.600 -0.541 0.000 1.121 464 S CA -0.579 57.560 58.200 -0.102 0.000 0.995 464 S CB 1.866 65.025 63.200 -0.068 0.000 1.113 464 S HN 0.091 nan 8.310 nan 0.000 0.547 465 S N -0.593 114.751 115.700 -0.594 0.000 2.562 465 S HA 0.197 4.668 4.470 0.001 0.000 0.221 465 S C 0.091 174.465 174.600 -0.378 0.000 0.975 465 S CA -0.101 57.623 58.200 -0.793 0.000 0.918 465 S CB -0.563 62.433 63.200 -0.340 0.000 0.772 465 S HN 0.623 nan 8.310 nan 0.000 0.531 466 K N 2.499 122.755 120.400 -0.239 0.000 2.172 466 K HA 0.392 4.713 4.320 0.001 0.000 0.276 466 K C -0.972 175.559 176.600 -0.115 0.000 1.013 466 K CA -0.474 55.733 56.287 -0.134 0.000 0.913 466 K CB 0.524 32.975 32.500 -0.082 0.000 1.055 466 K HN 0.076 nan 8.250 nan 0.000 0.461 467 D N 1.424 121.776 120.400 -0.080 0.000 2.425 467 D HA 0.064 4.704 4.640 0.001 0.000 0.247 467 D C -0.604 175.673 176.300 -0.039 0.000 1.147 467 D CA -0.002 53.965 54.000 -0.054 0.000 0.879 467 D CB 0.800 41.581 40.800 -0.031 0.000 1.179 467 D HN 0.011 nan 8.370 nan 0.000 0.456 468 V N 5.442 125.335 119.914 -0.035 0.000 2.304 468 V HA 0.254 4.374 4.120 0.001 0.000 0.278 468 V C -2.087 173.999 176.094 -0.013 0.000 1.018 468 V CA -1.575 60.711 62.300 -0.024 0.000 0.814 468 V CB 1.493 33.300 31.823 -0.026 0.000 1.021 468 V HN 0.432 nan 8.190 nan 0.000 0.440 469 P HA 0.386 nan 4.420 nan 0.000 0.271 469 P C -0.823 176.469 177.300 -0.014 0.000 1.216 469 P CA -0.009 63.092 63.100 0.002 0.000 0.776 469 P CB 1.440 33.145 31.700 0.009 0.000 0.881 470 L N -0.679 120.524 121.223 -0.032 0.000 2.600 470 L HA 0.778 5.118 4.340 0.001 0.000 0.257 470 L C -1.188 175.605 176.870 -0.128 0.000 1.048 470 L CA -0.752 54.045 54.840 -0.070 0.000 0.869 470 L CB 1.878 43.891 42.059 -0.077 0.000 1.482 470 L HN 0.127 nan 8.230 nan 0.000 0.408 471 T N 1.378 115.825 114.554 -0.180 0.000 2.863 471 T HA 0.700 5.050 4.350 0.001 0.000 0.285 471 T C -0.450 174.099 174.700 -0.253 0.000 1.009 471 T CA -0.264 61.679 62.100 -0.261 0.000 0.989 471 T CB 1.706 70.297 68.868 -0.462 0.000 1.004 471 T HN 0.496 nan 8.240 nan 0.000 0.455 472 I N 2.460 122.836 120.570 -0.323 0.000 2.378 472 I HA 0.427 4.597 4.170 0.001 0.000 0.291 472 I C 0.125 176.054 176.117 -0.313 0.000 0.992 472 I CA -0.783 60.327 61.300 -0.318 0.000 1.154 472 I CB 1.549 39.273 38.000 -0.460 0.000 1.315 472 I HN 0.358 nan 8.210 nan 0.000 0.448 473 K N 5.194 125.451 120.400 -0.237 0.000 2.240 473 K HA 0.253 4.573 4.320 0.001 0.000 0.271 473 K C -1.095 175.334 176.600 -0.285 0.000 1.018 473 K CA -0.529 55.517 56.287 -0.402 0.000 0.874 473 K CB 1.115 33.435 32.500 -0.301 0.000 1.098 473 K HN 0.448 nan 8.250 nan 0.000 0.458 474 D N 6.220 126.422 120.400 -0.330 0.000 2.392 474 D HA 0.294 4.934 4.640 0.001 0.000 0.228 474 D C -2.476 173.719 176.300 -0.174 0.000 1.074 474 D CA -2.250 51.696 54.000 -0.090 0.000 0.838 474 D CB 1.442 42.312 40.800 0.118 0.000 1.067 474 D HN 0.273 nan 8.370 nan 0.000 0.511 475 P HA 0.146 nan 4.420 nan 0.000 0.263 475 P C 0.121 177.389 177.300 -0.052 0.000 1.195 475 P CA 0.211 63.253 63.100 -0.096 0.000 0.762 475 P CB 0.855 32.534 31.700 -0.035 0.000 0.799 476 A N 2.033 124.820 122.820 -0.054 0.000 2.945 476 A HA -0.226 4.095 4.320 0.001 0.000 0.263 476 A C 1.162 178.745 177.584 -0.002 0.000 1.293 476 A CA 1.504 53.532 52.037 -0.014 0.000 0.944 476 A CB -2.304 16.702 19.000 0.009 0.000 1.093 476 A HN 0.467 nan 8.150 nan 0.000 0.786 477 V N -2.641 117.256 119.914 -0.028 0.000 3.090 477 V HA 0.602 4.723 4.120 0.001 0.000 0.237 477 V C 1.238 177.290 176.094 -0.070 0.000 1.209 477 V CA 2.264 64.565 62.300 0.002 0.000 1.209 477 V CB 0.944 32.828 31.823 0.102 0.000 0.971 477 V HN 2.512 nan 8.190 nan 0.000 0.477 478 G N -0.466 108.201 108.800 -0.221 0.000 2.340 478 G HA2 0.151 4.112 3.960 0.001 0.000 0.282 478 G HA3 0.151 4.112 3.960 0.001 0.000 0.282 478 G C -1.564 173.005 174.900 -0.552 0.000 1.312 478 G CA -0.439 44.503 45.100 -0.263 0.000 0.942 478 G HN 0.163 nan 8.290 nan 0.000 0.495 479 F N -0.485 119.374 119.950 -0.151 0.000 2.508 479 F HA 0.765 5.293 4.527 0.001 0.000 0.325 479 F C -0.038 175.595 175.800 -0.278 0.000 1.090 479 F CA -0.819 57.048 58.000 -0.222 0.000 0.945 479 F CB 2.165 41.084 39.000 -0.135 0.000 1.156 479 F HN 0.284 nan 8.300 nan 0.000 0.463 480 L N 3.556 124.611 121.223 -0.280 0.000 2.298 480 L HA 0.409 4.750 4.340 0.001 0.000 0.284 480 L C -0.360 176.327 176.870 -0.304 0.000 1.013 480 L CA -0.505 54.074 54.840 -0.435 0.000 0.824 480 L CB 1.041 42.473 42.059 -1.046 0.000 1.221 480 L HN 0.418 nan 8.230 nan 0.000 0.418 481 E N 1.974 122.119 120.200 -0.091 0.000 2.174 481 E HA 0.594 4.944 4.350 0.001 0.000 0.282 481 E C -0.209 176.385 176.600 -0.011 0.000 0.992 481 E CA -0.095 56.278 56.400 -0.046 0.000 0.803 481 E CB 2.126 31.850 29.700 0.039 0.000 1.090 481 E HN 0.525 nan 8.360 nan 0.000 0.396 482 T N 1.939 116.469 114.554 -0.040 0.000 2.731 482 T HA 0.551 4.901 4.350 0.001 0.000 0.300 482 T C -1.595 173.147 174.700 0.070 0.000 1.283 482 T CA -0.627 61.505 62.100 0.053 0.000 1.005 482 T CB 1.272 70.138 68.868 -0.004 0.000 1.420 482 T HN 0.325 nan 8.240 nan 0.000 0.503 483 I N 2.202 122.864 120.570 0.153 0.000 2.582 483 I HA 0.609 4.779 4.170 0.001 0.000 0.292 483 I C -0.932 175.265 176.117 0.133 0.000 1.066 483 I CA -0.474 60.891 61.300 0.108 0.000 1.053 483 I CB 2.136 40.187 38.000 0.085 0.000 1.241 483 I HN 0.665 nan 8.210 nan 0.000 0.421 484 S N 9.133 124.839 115.700 0.011 0.000 2.474 484 S HA 0.589 5.059 4.470 0.001 0.000 0.320 484 S C -2.565 171.973 174.600 -0.102 0.000 1.067 484 S CA -1.427 56.689 58.200 -0.140 0.000 1.127 484 S CB 0.577 63.700 63.200 -0.129 0.000 0.971 484 S HN 0.401 nan 8.310 nan 0.000 0.472 485 P HA 0.181 nan 4.420 nan 0.000 0.269 485 P C 0.455 177.716 177.300 -0.064 0.000 1.215 485 P CA -0.035 63.040 63.100 -0.041 0.000 0.780 485 P CB 0.238 31.946 31.700 0.013 0.000 0.898 486 G N 1.417 110.150 108.800 -0.111 0.000 2.321 486 G HA2 -0.023 3.937 3.960 0.001 0.000 0.237 486 G HA3 -0.023 3.937 3.960 0.001 0.000 0.237 486 G C -0.214 174.626 174.900 -0.100 0.000 1.282 486 G CA 0.031 44.986 45.100 -0.241 0.000 0.886 486 G HN 0.705 nan 8.290 nan 0.000 0.528 487 Y N -0.336 120.048 120.300 0.139 0.000 4.784 487 Y HA -0.348 4.202 4.550 0.001 0.000 0.278 487 Y C 2.064 178.243 175.900 0.465 0.000 0.980 487 Y CA 0.790 59.080 58.100 0.316 0.000 1.845 487 Y CB -1.804 36.847 38.460 0.318 0.000 1.177 487 Y HN 0.925 nan 8.280 nan 0.000 0.460 488 S N 0.965 116.878 115.700 0.355 0.000 2.608 488 S HA 0.531 5.001 4.470 0.001 0.000 0.261 488 S C -0.270 174.453 174.600 0.205 0.000 1.314 488 S CA -0.284 58.101 58.200 0.308 0.000 0.992 488 S CB 2.187 65.440 63.200 0.088 0.000 0.935 488 S HN 0.366 nan 8.310 nan 0.000 0.564 489 I N 0.898 121.535 120.570 0.112 0.000 2.533 489 I HA 0.472 4.642 4.170 0.001 0.000 0.290 489 I C -1.056 174.993 176.117 -0.113 0.000 1.056 489 I CA -0.627 60.586 61.300 -0.144 0.000 1.057 489 I CB 1.439 39.162 38.000 -0.463 0.000 1.240 489 I HN 0.829 nan 8.210 nan 0.000 0.423 490 H N 4.464 123.421 119.070 -0.188 0.000 2.572 490 H HA 0.486 5.043 4.556 0.001 0.000 0.359 490 H C -1.000 174.238 175.328 -0.150 0.000 1.134 490 H CA -0.967 54.992 56.048 -0.148 0.000 1.187 490 H CB 2.248 31.939 29.762 -0.119 0.000 1.597 490 H HN 0.429 nan 8.280 nan 0.000 0.524 491 T N 2.929 117.443 114.554 -0.067 0.000 2.824 491 T HA 0.271 4.622 4.350 0.001 0.000 0.282 491 T C -1.048 173.437 174.700 -0.358 0.000 0.993 491 T CA -0.644 61.348 62.100 -0.180 0.000 0.967 491 T CB 0.621 69.287 68.868 -0.336 0.000 0.960 491 T HN 0.324 nan 8.240 nan 0.000 0.441 492 Y N 2.329 122.647 120.300 0.031 0.000 2.352 492 Y HA 0.663 5.214 4.550 0.001 0.000 0.339 492 Y C -0.138 175.852 175.900 0.150 0.000 0.992 492 Y CA -1.109 57.076 58.100 0.142 0.000 1.100 492 Y CB 1.286 39.856 38.460 0.184 0.000 1.192 492 Y HN 0.387 nan 8.280 nan 0.000 0.458 493 L N 3.707 125.118 121.223 0.313 0.000 2.385 493 L HA 0.614 4.955 4.340 0.001 0.000 0.273 493 L C -1.315 175.740 176.870 0.308 0.000 0.990 493 L CA -0.778 54.128 54.840 0.110 0.000 0.821 493 L CB 1.668 43.711 42.059 -0.027 0.000 1.279 493 L HN 0.779 nan 8.230 nan 0.000 0.412 494 W N 0.742 121.989 121.300 -0.088 0.000 3.167 494 W HA 0.516 5.176 4.660 0.001 0.000 0.324 494 W C -1.194 175.198 176.519 -0.212 0.000 1.230 494 W CA -0.816 56.455 57.345 -0.124 0.000 1.184 494 W CB 0.536 30.017 29.460 0.036 0.000 1.414 494 W HN 0.274 nan 8.180 nan 0.000 0.551 495 H N 3.023 122.182 119.070 0.148 0.000 2.742 495 H HA 0.293 4.850 4.556 0.001 0.000 0.302 495 H C 0.817 176.232 175.328 0.145 0.000 1.069 495 H CA 0.056 56.133 56.048 0.047 0.000 1.446 495 H CB 1.389 31.186 29.762 0.057 0.000 1.462 495 H HN 0.586 nan 8.280 nan 0.000 0.499 496 R N 1.967 122.570 120.500 0.171 0.000 2.123 496 R HA -0.049 4.292 4.340 0.001 0.000 0.209 496 R C 1.493 177.877 176.300 0.140 0.000 1.078 496 R CA 0.258 56.481 56.100 0.204 0.000 1.028 496 R CB 0.048 30.427 30.300 0.132 0.000 0.939 496 R HN 0.388 nan 8.270 nan 0.000 0.463 497 Q N 1.198 121.056 119.800 0.096 0.000 2.364 497 Q HA -0.011 4.330 4.340 0.001 0.000 0.209 497 Q C 0.410 176.443 176.000 0.055 0.000 0.977 497 Q CA 0.896 56.735 55.803 0.060 0.000 0.885 497 Q CB -0.481 28.278 28.738 0.035 0.000 0.941 497 Q HN 0.108 nan 8.270 nan 0.000 0.464 498 L N 0.000 121.270 121.223 0.078 0.000 2.949 498 L HA 0.000 4.341 4.340 0.001 0.000 0.249 498 L CA 0.000 54.877 54.840 0.061 0.000 0.813 498 L CB 0.000 42.099 42.059 0.066 0.000 0.961 498 L HN 0.000 nan 8.230 nan 0.000 0.502