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 3ke0_1_A DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFDPPT FPALGTFSRY ESTRSGRRME DATA SEQUENCE LSMGPIQANH TGTGLLLTLQ PEQKFQKVKG FGGAMTDAAA LNILALSPPA DATA SEQUENCE QNLLLKSYFS EEGIGYNIIR VPMASCDFSI RTYTYADTPD DFQLHNFSLP DATA SEQUENCE EEDTKLKIPL IHRALQLAQR PVSLLASPWT SPTWLKTNGA VNGKGSLKGQ DATA SEQUENCE PGDIYHQTWA RYFVKFLDAY AEHKLQFWAV TAENEPSAGL LSGYPFQCLG DATA SEQUENCE FTPEHQRDFI ARDLGPTLAN STHHNVRLLM LDDQRLLLPH WAKVVLTDPE DATA SEQUENCE AAKYVHGIAV HWYLDFLAPA KATLGETHRL FPNTMLFASE ACVGSKFWEQ DATA SEQUENCE SVRLGSWDRG MQYSHSIITS LLYHVVGWTD WNLALNPEGG PNWVRNFVDS DATA SEQUENCE PIIVDITKDT FYKQPMFYHL GHFSKFIPEG SQRVGLVASQ KNDLDAVALM DATA SEQUENCE HPDGSAVVVV LNRSSKDVPL TIKDPAVGFL ETISPGYSIH TYLWRRQ 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 0.000 177.550 177.584 -0.056 0.000 1.274 1 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 1 A CB 0.000 18.985 19.000 -0.024 0.000 0.831 2 R N 1.064 121.499 120.500 -0.109 0.000 2.534 2 R HA 0.581 4.921 4.340 -0.000 0.000 0.301 2 R C -3.000 173.269 176.300 -0.052 0.000 0.961 2 R CA -1.814 54.226 56.100 -0.100 0.000 0.871 2 R CB 2.295 32.411 30.300 -0.306 0.000 1.170 2 R HN 0.277 nan 8.270 nan 0.000 0.446 3 P HA 0.107 nan 4.420 nan 0.000 0.281 3 P C -0.204 177.161 177.300 0.109 0.000 1.264 3 P CA -0.695 62.432 63.100 0.045 0.000 0.824 3 P CB 0.930 32.651 31.700 0.035 0.000 1.092 4 c N 3.028 121.649 118.600 0.034 0.000 2.633 4 c HA 0.166 4.736 4.570 -0.000 0.000 0.415 4 c C 0.554 174.651 174.090 0.012 0.000 1.393 4 c CA -0.453 55.895 56.329 0.032 0.000 1.700 4 c CB -2.033 40.451 42.510 -0.043 0.000 2.541 4 c HN 0.240 nan 8.230 nan 0.000 0.603 5 I N 9.536 130.107 120.570 0.001 0.000 2.294 5 I HA 0.276 4.446 4.170 -0.000 0.000 0.295 5 I C -1.669 174.427 176.117 -0.036 0.000 1.098 5 I CA -3.209 58.041 61.300 -0.084 0.000 1.277 5 I CB 0.162 38.042 38.000 -0.200 0.000 1.434 5 I HN 0.531 nan 8.210 nan 0.000 0.498 6 P HA 0.178 nan 4.420 nan 0.000 0.271 6 P C -0.418 176.862 177.300 -0.033 0.000 1.220 6 P CA -0.201 62.885 63.100 -0.024 0.000 0.768 6 P CB 1.022 32.698 31.700 -0.040 0.000 0.848 7 K N 1.761 122.156 120.400 -0.009 0.000 2.482 7 K HA 0.416 4.736 4.320 -0.000 0.000 0.251 7 K C -0.738 175.811 176.600 -0.085 0.000 0.936 7 K CA -0.596 55.635 56.287 -0.095 0.000 0.791 7 K CB 1.602 34.035 32.500 -0.112 0.000 1.213 7 K HN 0.340 nan 8.250 nan 0.000 0.428 8 S N 3.142 118.734 115.700 -0.180 0.000 2.578 8 S HA 0.474 4.944 4.470 -0.000 0.000 0.283 8 S C -0.451 173.962 174.600 -0.313 0.000 1.195 8 S CA -0.458 57.674 58.200 -0.113 0.000 1.050 8 S CB 0.343 63.488 63.200 -0.093 0.000 1.012 8 S HN 0.559 nan 8.310 nan 0.000 0.511 9 F N 2.236 122.166 119.950 -0.033 0.000 2.814 9 F HA 0.401 4.928 4.527 -0.000 0.000 0.326 9 F C 1.528 177.239 175.800 -0.148 0.000 1.159 9 F CA 0.074 58.042 58.000 -0.052 0.000 1.234 9 F CB 0.727 39.730 39.000 0.005 0.000 1.016 9 F HN 0.931 nan 8.300 nan 0.000 0.510 10 G N -0.514 108.248 108.800 -0.064 0.000 2.141 10 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.242 10 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.242 10 G C -0.069 174.579 174.900 -0.420 0.000 0.982 10 G CA -0.185 44.773 45.100 -0.236 0.000 0.662 10 G HN 0.376 nan 8.290 nan 0.000 0.527 11 Y N 0.189 120.539 120.300 0.083 0.000 2.593 11 Y HA 0.481 5.031 4.550 -0.000 0.000 0.330 11 Y C 2.104 178.038 175.900 0.057 0.000 1.223 11 Y CA 0.022 58.165 58.100 0.071 0.000 1.350 11 Y CB 0.820 39.330 38.460 0.084 0.000 1.499 11 Y HN 0.215 nan 8.280 nan 0.000 0.554 12 S N -1.326 114.521 115.700 0.244 0.000 2.507 12 S HA 0.002 4.472 4.470 -0.000 0.000 0.235 12 S C 0.600 175.258 174.600 0.097 0.000 0.988 12 S CA 0.846 59.115 58.200 0.116 0.000 0.944 12 S CB -0.146 63.104 63.200 0.084 0.000 0.762 12 S HN 0.458 nan 8.310 nan 0.000 0.526 13 S N -0.615 115.192 115.700 0.178 0.000 2.819 13 S HA 0.677 5.147 4.470 -0.000 0.000 0.299 13 S C -0.734 173.968 174.600 0.169 0.000 1.192 13 S CA -0.280 58.007 58.200 0.145 0.000 0.847 13 S CB 1.028 64.374 63.200 0.243 0.000 1.224 13 S HN 0.674 nan 8.310 nan 0.000 0.537 14 V N 0.710 120.709 119.914 0.141 0.000 3.096 14 V HA 0.952 5.072 4.120 -0.000 0.000 0.319 14 V C 0.186 176.384 176.094 0.172 0.000 1.082 14 V CA -0.406 61.971 62.300 0.127 0.000 1.022 14 V CB 0.931 32.786 31.823 0.054 0.000 1.103 14 V HN 0.939 nan 8.190 nan 0.000 0.455 15 V N -1.439 118.582 119.914 0.178 0.000 2.994 15 V HA 0.695 4.815 4.120 -0.000 0.000 0.318 15 V C -0.043 176.147 176.094 0.162 0.000 1.085 15 V CA -0.647 61.771 62.300 0.197 0.000 0.998 15 V CB 1.317 33.267 31.823 0.211 0.000 1.063 15 V HN 1.089 nan 8.190 nan 0.000 0.447 16 c N 2.491 121.194 118.600 0.172 0.000 2.285 16 c HA 0.653 5.223 4.570 -0.000 0.000 0.335 16 c C 0.363 174.508 174.090 0.091 0.000 1.267 16 c CA -0.644 55.751 56.329 0.110 0.000 1.762 16 c CB 0.047 42.625 42.510 0.112 0.000 2.365 16 c HN 0.738 nan 8.230 nan 0.000 0.527 17 V N 3.168 123.125 119.914 0.072 0.000 2.461 17 V HA 0.319 4.439 4.120 -0.000 0.000 0.275 17 V C 0.232 176.217 176.094 -0.183 0.000 1.047 17 V CA -0.023 62.293 62.300 0.027 0.000 0.955 17 V CB 0.488 32.370 31.823 0.099 0.000 0.988 17 V HN 1.059 nan 8.190 nan 0.000 0.471 18 c N 5.593 123.877 118.600 -0.527 0.000 2.563 18 c HA 0.778 5.348 4.570 -0.000 0.000 0.314 18 c C 0.194 173.865 174.090 -0.698 0.000 1.199 18 c CA -0.801 55.096 56.329 -0.720 0.000 1.564 18 c CB 1.352 42.946 42.510 -1.527 0.000 2.173 18 c HN 1.087 nan 8.230 nan 0.000 0.485 19 N N 0.874 119.394 118.700 -0.300 0.000 3.513 19 N HA 0.554 5.294 4.740 -0.000 0.000 0.351 19 N C 0.472 175.990 175.510 0.013 0.000 1.624 19 N CA -0.111 52.865 53.050 -0.123 0.000 0.712 19 N CB 0.095 38.537 38.487 -0.075 0.000 2.106 19 N HN 0.468 nan 8.380 nan 0.000 0.649 20 A N -1.296 121.548 122.820 0.040 0.000 2.121 20 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 20 A C 1.391 179.007 177.584 0.053 0.000 1.154 20 A CA 2.323 54.396 52.037 0.060 0.000 0.679 20 A CB -1.201 17.825 19.000 0.043 0.000 0.795 20 A HN 0.898 nan 8.150 nan 0.000 0.458 21 T N -6.503 108.083 114.554 0.054 0.000 3.058 21 T HA 0.365 4.715 4.350 -0.000 0.000 0.278 21 T C -0.234 174.513 174.700 0.078 0.000 0.974 21 T CA -0.238 61.895 62.100 0.055 0.000 0.893 21 T CB -0.159 68.743 68.868 0.056 0.000 1.138 21 T HN 0.243 nan 8.240 nan 0.000 0.529 22 Y N 0.330 120.599 120.300 -0.052 0.000 2.433 22 Y HA 0.612 5.162 4.550 -0.000 0.000 0.337 22 Y C -1.485 174.342 175.900 -0.120 0.000 1.026 22 Y CA -1.338 56.717 58.100 -0.075 0.000 1.037 22 Y CB 1.948 40.358 38.460 -0.083 0.000 1.245 22 Y HN 0.330 nan 8.280 nan 0.000 0.443 23 c N 7.191 125.498 118.600 -0.487 0.000 2.811 23 c HA 0.313 4.883 4.570 -0.000 0.000 0.352 23 c C -1.272 172.563 174.090 -0.425 0.000 1.098 23 c CA -0.938 55.224 56.329 -0.279 0.000 1.295 23 c CB 0.334 42.763 42.510 -0.135 0.000 1.758 23 c HN 0.943 nan 8.230 nan 0.000 0.488 24 D N 3.589 123.880 120.400 -0.182 0.000 2.506 24 D HA 0.349 4.989 4.640 -0.000 0.000 0.234 24 D C -0.071 176.096 176.300 -0.223 0.000 1.143 24 D CA 0.580 54.482 54.000 -0.163 0.000 0.871 24 D CB 0.856 41.639 40.800 -0.028 0.000 1.190 24 D HN 0.837 nan 8.370 nan 0.000 0.459 25 S N -0.135 115.391 115.700 -0.289 0.000 2.636 25 S HA 0.616 5.086 4.470 -0.000 0.000 0.268 25 S C -1.072 173.325 174.600 -0.337 0.000 1.159 25 S CA -1.103 56.931 58.200 -0.276 0.000 0.815 25 S CB 0.703 63.837 63.200 -0.110 0.000 1.130 25 S HN 0.386 nan 8.310 nan 0.000 0.471 26 F N 1.062 121.020 119.950 0.014 0.000 2.483 26 F HA 0.553 5.080 4.527 -0.000 0.000 0.329 26 F C 0.708 176.517 175.800 0.015 0.000 1.064 26 F CA -0.576 57.444 58.000 0.034 0.000 0.986 26 F CB 0.936 39.949 39.000 0.021 0.000 1.218 26 F HN 0.508 nan 8.300 nan 0.000 0.484 27 D N 1.317 121.860 120.400 0.239 0.000 2.377 27 D HA 0.258 4.898 4.640 -0.000 0.000 0.245 27 D C -2.247 174.111 176.300 0.098 0.000 1.196 27 D CA -1.075 53.001 54.000 0.126 0.000 0.962 27 D CB 0.330 41.181 40.800 0.085 0.000 1.127 27 D HN 0.116 nan 8.370 nan 0.000 0.471 28 P HA 0.208 nan 4.420 nan 0.000 0.272 28 P C -2.450 174.820 177.300 -0.051 0.000 1.223 28 P CA -0.827 62.276 63.100 0.004 0.000 0.784 28 P CB -0.212 31.492 31.700 0.007 0.000 0.923 29 P HA 0.131 nan 4.420 nan 0.000 0.266 29 P C -0.727 176.243 177.300 -0.550 0.000 1.195 29 P CA 0.408 63.333 63.100 -0.292 0.000 0.768 29 P CB 0.365 31.844 31.700 -0.368 0.000 0.838 30 T N 3.028 117.268 114.554 -0.523 0.000 3.031 30 T HA 0.452 4.802 4.350 -0.000 0.000 0.305 30 T C -0.942 173.564 174.700 -0.323 0.000 0.985 30 T CA -0.296 61.546 62.100 -0.429 0.000 1.008 30 T CB 0.041 68.828 68.868 -0.134 0.000 1.005 30 T HN 0.022 nan 8.240 nan 0.000 0.444 31 F N 4.539 124.527 119.950 0.065 0.000 2.350 31 F HA 0.441 4.968 4.527 -0.000 0.000 0.365 31 F C -1.599 174.229 175.800 0.047 0.000 1.122 31 F CA -2.865 55.171 58.000 0.061 0.000 1.139 31 F CB -0.227 38.807 39.000 0.057 0.000 1.220 31 F HN 0.247 nan 8.300 nan 0.000 0.499 32 P HA 0.259 nan 4.420 nan 0.000 0.272 32 P C -0.305 177.064 177.300 0.116 0.000 1.240 32 P CA -0.478 62.688 63.100 0.111 0.000 0.791 32 P CB 0.753 32.484 31.700 0.051 0.000 0.978 33 A N 1.582 124.447 122.820 0.075 0.000 2.448 33 A HA 0.157 4.477 4.320 -0.000 0.000 0.239 33 A C 0.295 177.924 177.584 0.076 0.000 1.080 33 A CA -0.381 51.696 52.037 0.067 0.000 0.779 33 A CB -0.463 18.562 19.000 0.040 0.000 1.026 33 A HN 0.646 nan 8.150 nan 0.000 0.499 34 L N 1.644 122.912 121.223 0.074 0.000 2.578 34 L HA 0.410 4.750 4.340 -0.000 0.000 0.279 34 L C 1.276 178.182 176.870 0.060 0.000 1.227 34 L CA 2.111 57.002 54.840 0.084 0.000 0.900 34 L CB -0.041 42.057 42.059 0.066 0.000 1.144 34 L HN 1.719 nan 8.230 nan 0.000 0.496 35 G N 2.131 110.968 108.800 0.062 0.000 2.176 35 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.232 35 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.232 35 G C 0.389 175.301 174.900 0.020 0.000 0.986 35 G CA 0.150 45.266 45.100 0.027 0.000 0.643 35 G HN 0.900 nan 8.290 nan 0.000 0.522 36 T N 1.137 115.713 114.554 0.037 0.000 2.841 36 T HA 0.638 4.988 4.350 -0.000 0.000 0.283 36 T C -0.416 174.333 174.700 0.081 0.000 1.000 36 T CA -0.146 61.937 62.100 -0.028 0.000 0.977 36 T CB 1.489 70.318 68.868 -0.066 0.000 0.979 36 T HN 0.856 nan 8.240 nan 0.000 0.446 37 F N 0.185 120.160 119.950 0.040 0.000 2.507 37 F HA 0.878 5.405 4.527 0.000 0.000 0.327 37 F C -0.068 175.786 175.800 0.091 0.000 1.068 37 F CA -1.094 56.980 58.000 0.122 0.000 0.965 37 F CB 0.998 40.049 39.000 0.086 0.000 1.192 37 F HN 0.322 nan 8.300 nan 0.000 0.476 38 S N 2.040 117.938 115.700 0.331 0.000 2.525 38 S HA 0.572 5.041 4.470 -0.000 0.000 0.290 38 S C -0.799 173.924 174.600 0.205 0.000 1.152 38 S CA -0.860 57.414 58.200 0.123 0.000 1.072 38 S CB 1.270 64.500 63.200 0.049 0.000 1.027 38 S HN 0.740 nan 8.310 nan 0.000 0.500 39 R N 2.141 122.605 120.500 -0.061 0.000 2.476 39 R HA 0.354 4.694 4.340 -0.000 0.000 0.305 39 R C -1.964 174.042 176.300 -0.490 0.000 0.965 39 R CA -0.457 55.459 56.100 -0.308 0.000 0.867 39 R CB 0.731 30.886 30.300 -0.243 0.000 1.176 39 R HN 0.625 nan 8.270 nan 0.000 0.447 40 Y N 2.046 122.127 120.300 -0.366 0.000 2.335 40 Y HA 0.281 4.831 4.550 -0.000 0.000 0.339 40 Y C 0.276 176.121 175.900 -0.092 0.000 0.987 40 Y CA -0.479 57.510 58.100 -0.186 0.000 1.140 40 Y CB 1.438 39.806 38.460 -0.154 0.000 1.173 40 Y HN 0.503 nan 8.280 nan 0.000 0.486 41 E N 1.775 122.007 120.200 0.054 0.000 2.183 41 E HA 0.656 5.006 4.350 -0.000 0.000 0.271 41 E C -1.243 175.544 176.600 0.310 0.000 0.919 41 E CA -0.578 55.893 56.400 0.118 0.000 0.781 41 E CB 1.068 30.713 29.700 -0.091 0.000 1.140 41 E HN 0.609 nan 8.360 nan 0.000 0.402 42 S N 1.956 117.893 115.700 0.396 0.000 2.521 42 S HA 0.537 5.007 4.470 -0.000 0.000 0.295 42 S C -0.838 173.978 174.600 0.360 0.000 1.098 42 S CA -0.848 57.579 58.200 0.379 0.000 0.999 42 S CB 1.772 65.274 63.200 0.504 0.000 1.034 42 S HN 0.643 nan 8.310 nan 0.000 0.483 43 T N -0.989 113.641 114.554 0.126 0.000 2.916 43 T HA 0.492 4.842 4.350 -0.000 0.000 0.292 43 T C 0.800 174.928 174.700 -0.952 0.000 1.055 43 T CA -1.006 60.958 62.100 -0.227 0.000 1.009 43 T CB 1.675 70.470 68.868 -0.123 0.000 1.118 43 T HN 0.457 nan 8.240 nan 0.000 0.497 44 R N 0.826 120.370 120.500 -1.594 0.000 2.159 44 R HA -0.119 4.221 4.340 -0.000 0.000 0.237 44 R C 2.106 178.047 176.300 -0.598 0.000 1.131 44 R CA 1.969 57.118 56.100 -1.584 0.000 0.982 44 R CB -0.661 28.774 30.300 -1.442 0.000 0.868 44 R HN 0.829 nan 8.270 nan 0.000 0.453 45 S N -1.881 113.592 115.700 -0.379 0.000 2.481 45 S HA 0.050 4.520 4.470 -0.000 0.000 0.231 45 S C 1.341 175.854 174.600 -0.144 0.000 0.996 45 S CA 0.897 58.980 58.200 -0.195 0.000 0.942 45 S CB 0.538 63.665 63.200 -0.121 0.000 0.768 45 S HN 0.526 nan 8.310 nan 0.000 0.520 46 G N 0.573 109.280 108.800 -0.154 0.000 2.613 46 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.199 46 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.199 46 G C -0.016 174.848 174.900 -0.059 0.000 0.991 46 G CA -0.750 44.300 45.100 -0.083 0.000 0.756 46 G HN 0.450 nan 8.290 nan 0.000 0.515 47 R N 0.636 121.109 120.500 -0.046 0.000 2.543 47 R HA 0.562 4.902 4.340 -0.000 0.000 0.277 47 R C -0.363 175.950 176.300 0.023 0.000 1.074 47 R CA -0.064 56.033 56.100 -0.004 0.000 1.076 47 R CB 0.464 30.779 30.300 0.024 0.000 0.993 47 R HN -0.040 nan 8.270 nan 0.000 0.459 48 R N 3.677 124.176 120.500 -0.002 0.000 2.472 48 R HA 0.181 4.521 4.340 -0.000 0.000 0.294 48 R C -0.094 176.289 176.300 0.138 0.000 1.243 48 R CA -0.595 55.473 56.100 -0.054 0.000 1.023 48 R CB 1.050 31.128 30.300 -0.370 0.000 1.157 48 R HN 0.782 nan 8.270 nan 0.000 0.530 49 M N 1.244 121.038 119.600 0.323 0.000 2.217 49 M HA -0.266 4.214 4.480 -0.000 0.000 0.187 49 M C -0.493 176.034 176.300 0.378 0.000 0.642 49 M CA 1.329 56.884 55.300 0.424 0.000 0.450 49 M CB -1.231 31.704 32.600 0.559 0.000 1.039 49 M HN 0.374 nan 8.290 nan 0.000 0.916 50 E N 0.983 121.297 120.200 0.189 0.000 2.313 50 E HA 0.394 4.743 4.350 -0.000 0.000 0.276 50 E C -0.309 176.241 176.600 -0.083 0.000 1.031 50 E CA -0.715 55.723 56.400 0.063 0.000 0.857 50 E CB 1.273 30.980 29.700 0.012 0.000 1.040 50 E HN 0.313 nan 8.360 nan 0.000 0.408 51 L N 2.904 124.010 121.223 -0.195 0.000 2.292 51 L HA 0.278 4.618 4.340 -0.000 0.000 0.284 51 L C -0.483 176.208 176.870 -0.298 0.000 1.065 51 L CA 0.302 54.846 54.840 -0.493 0.000 0.806 51 L CB 0.860 42.630 42.059 -0.481 0.000 1.175 51 L HN 0.581 nan 8.230 nan 0.000 0.431 52 S N 4.534 120.051 115.700 -0.306 0.000 2.685 52 S HA 0.883 5.353 4.470 -0.000 0.000 0.282 52 S C -0.651 173.821 174.600 -0.214 0.000 1.159 52 S CA -1.039 57.044 58.200 -0.194 0.000 0.833 52 S CB 1.613 64.743 63.200 -0.117 0.000 1.151 52 S HN 0.635 nan 8.310 nan 0.000 0.485 53 M N -0.097 119.355 119.600 -0.246 0.000 2.618 53 M HA 0.773 5.253 4.480 -0.000 0.000 0.281 53 M C -0.107 175.800 176.300 -0.655 0.000 1.267 53 M CA -0.460 54.571 55.300 -0.449 0.000 0.845 53 M CB 2.642 35.045 32.600 -0.329 0.000 1.732 53 M HN 1.149 nan 8.290 nan 0.000 0.461 54 G N 0.619 108.627 108.800 -1.320 0.000 2.554 54 G HA2 0.740 4.700 3.960 -0.000 0.000 0.306 54 G HA3 0.740 4.700 3.960 -0.000 0.000 0.306 54 G C -3.436 170.967 174.900 -0.828 0.000 1.320 54 G CA -0.685 43.825 45.100 -0.983 0.000 0.800 54 G HN 0.362 nan 8.290 nan 0.000 0.481 55 P HA 0.547 nan 4.420 nan 0.000 0.292 55 P C -0.752 176.672 177.300 0.207 0.000 1.283 55 P CA -0.511 62.591 63.100 0.005 0.000 0.835 55 P CB 1.981 33.690 31.700 0.016 0.000 1.017 56 I N 3.118 123.757 120.570 0.114 0.000 2.306 56 I HA 0.176 4.346 4.170 -0.000 0.000 0.288 56 I C 1.293 177.427 176.117 0.029 0.000 1.036 56 I CA -0.424 60.894 61.300 0.030 0.000 1.221 56 I CB 0.522 38.449 38.000 -0.121 0.000 1.385 56 I HN 0.289 nan 8.210 nan 0.000 0.472 57 Q N 5.547 125.388 119.800 0.068 0.000 2.166 57 Q HA 0.663 5.003 4.340 -0.000 0.000 0.226 57 Q C 0.312 176.392 176.000 0.134 0.000 0.989 57 Q CA -0.816 55.035 55.803 0.080 0.000 0.966 57 Q CB 1.588 30.369 28.738 0.071 0.000 1.173 57 Q HN 0.609 nan 8.270 nan 0.000 0.509 58 A N 0.351 123.243 122.820 0.121 0.000 2.303 58 A HA 0.186 4.506 4.320 -0.000 0.000 0.217 58 A C -0.147 177.537 177.584 0.167 0.000 1.205 58 A CA -0.205 51.932 52.037 0.167 0.000 0.875 58 A CB -0.185 18.872 19.000 0.095 0.000 0.910 58 A HN 0.757 nan 8.150 nan 0.000 0.501 59 N N -0.709 118.028 118.700 0.062 0.000 2.430 59 N HA 0.395 5.135 4.740 -0.000 0.000 0.298 59 N C -0.814 174.570 175.510 -0.210 0.000 1.130 59 N CA -0.515 52.498 53.050 -0.061 0.000 0.894 59 N CB 0.913 39.377 38.487 -0.039 0.000 1.209 59 N HN 0.405 nan 8.380 nan 0.000 0.503 60 H N 0.261 119.002 119.070 -0.549 0.000 2.685 60 H HA 0.130 4.686 4.556 -0.000 0.000 0.286 60 H C 0.551 175.687 175.328 -0.319 0.000 1.102 60 H CA -0.509 55.129 56.048 -0.682 0.000 1.254 60 H CB 0.698 29.828 29.762 -1.054 0.000 1.397 60 H HN 0.781 nan 8.280 nan 0.000 0.473 61 T N 0.749 115.320 114.554 0.028 0.000 3.067 61 T HA 0.151 4.501 4.350 -0.000 0.000 0.257 61 T C 1.140 175.817 174.700 -0.039 0.000 1.105 61 T CA 0.156 62.236 62.100 -0.035 0.000 1.104 61 T CB 0.228 69.087 68.868 -0.017 0.000 0.925 61 T HN 0.511 nan 8.240 nan 0.000 0.498 62 G N 0.893 109.749 108.800 0.093 0.000 2.537 62 G HA2 0.442 4.402 3.960 -0.000 0.000 0.273 62 G HA3 0.442 4.402 3.960 -0.000 0.000 0.273 62 G C 0.445 175.276 174.900 -0.115 0.000 1.189 62 G CA 0.046 45.175 45.100 0.048 0.000 0.881 62 G HN 0.424 nan 8.290 nan 0.000 0.535 63 T N -2.012 112.505 114.554 -0.061 0.000 3.393 63 T HA 0.514 4.864 4.350 -0.000 0.000 0.298 63 T C 0.826 175.509 174.700 -0.028 0.000 1.004 63 T CA 0.354 62.395 62.100 -0.098 0.000 0.956 63 T CB 0.435 69.242 68.868 -0.103 0.000 1.182 63 T HN 0.811 nan 8.240 nan 0.000 0.497 64 G N 1.495 110.308 108.800 0.022 0.000 3.194 64 G HA2 0.600 4.560 3.960 -0.000 0.000 0.160 64 G HA3 0.600 4.560 3.960 -0.000 0.000 0.160 64 G C -0.616 174.313 174.900 0.047 0.000 1.267 64 G CA -0.977 44.138 45.100 0.026 0.000 0.962 64 G HN 0.437 nan 8.290 nan 0.000 0.612 65 L N 0.375 121.619 121.223 0.036 0.000 2.499 65 L HA 0.504 4.844 4.340 -0.000 0.000 0.273 65 L C -0.486 176.413 176.870 0.049 0.000 1.195 65 L CA -0.222 54.640 54.840 0.036 0.000 0.882 65 L CB 0.655 42.726 42.059 0.019 0.000 1.133 65 L HN 0.300 nan 8.230 nan 0.000 0.483 66 L N 6.387 127.646 121.223 0.060 0.000 2.322 66 L HA 0.577 4.917 4.340 -0.000 0.000 0.281 66 L C -1.284 175.602 176.870 0.026 0.000 1.014 66 L CA -0.218 54.657 54.840 0.058 0.000 0.815 66 L CB 1.443 43.577 42.059 0.125 0.000 1.247 66 L HN 0.573 nan 8.230 nan 0.000 0.421 67 L N 4.983 126.202 121.223 -0.007 0.000 2.319 67 L HA 0.527 4.867 4.340 -0.000 0.000 0.281 67 L C -0.455 176.402 176.870 -0.022 0.000 1.005 67 L CA -0.381 54.455 54.840 -0.008 0.000 0.828 67 L CB 1.713 43.762 42.059 -0.018 0.000 1.227 67 L HN 0.578 nan 8.230 nan 0.000 0.415 68 T N 3.875 118.428 114.554 -0.002 0.000 2.771 68 T HA 0.401 4.751 4.350 -0.000 0.000 0.281 68 T C -0.251 174.456 174.700 0.012 0.000 0.982 68 T CA -0.426 61.664 62.100 -0.017 0.000 0.978 68 T CB 1.724 70.589 68.868 -0.005 0.000 0.930 68 T HN 0.230 nan 8.240 nan 0.000 0.447 69 L N 3.669 124.904 121.223 0.020 0.000 2.416 69 L HA 0.269 4.609 4.340 -0.000 0.000 0.272 69 L C 0.110 177.003 176.870 0.039 0.000 1.161 69 L CA 0.454 55.328 54.840 0.056 0.000 0.845 69 L CB 0.502 42.629 42.059 0.113 0.000 1.119 69 L HN 0.493 nan 8.230 nan 0.000 0.464 70 Q N 6.590 126.419 119.800 0.049 0.000 2.788 70 Q HA 0.275 4.615 4.340 -0.000 0.000 0.261 70 Q C -1.934 174.085 176.000 0.031 0.000 1.029 70 Q CA -1.558 54.268 55.803 0.038 0.000 0.848 70 Q CB 1.127 29.894 28.738 0.049 0.000 1.185 70 Q HN 0.536 nan 8.270 nan 0.000 0.482 71 P HA -0.112 nan 4.420 nan 0.000 0.228 71 P C 0.454 177.749 177.300 -0.008 0.000 1.151 71 P CA 0.972 64.079 63.100 0.012 0.000 0.770 71 P CB 0.616 32.322 31.700 0.011 0.000 0.786 72 E N -0.549 119.642 120.200 -0.015 0.000 2.444 72 E HA 0.073 4.423 4.350 -0.000 0.000 0.191 72 E C 0.536 177.092 176.600 -0.073 0.000 1.041 72 E CA 0.063 56.442 56.400 -0.036 0.000 0.883 72 E CB 0.244 29.930 29.700 -0.023 0.000 1.024 72 E HN 0.428 nan 8.360 nan 0.000 0.470 73 Q N 1.833 121.580 119.800 -0.088 0.000 2.466 73 Q HA 0.122 4.462 4.340 -0.000 0.000 0.242 73 Q C -0.795 174.986 176.000 -0.365 0.000 1.046 73 Q CA -0.435 55.249 55.803 -0.198 0.000 0.841 73 Q CB 0.578 29.272 28.738 -0.073 0.000 1.193 73 Q HN -0.208 nan 8.270 nan 0.000 0.508 74 K N 3.429 123.555 120.400 -0.457 0.000 2.159 74 K HA 0.415 4.735 4.320 -0.000 0.000 0.266 74 K C -0.587 175.604 176.600 -0.682 0.000 0.975 74 K CA -0.090 55.965 56.287 -0.388 0.000 0.865 74 K CB 1.038 33.440 32.500 -0.163 0.000 1.087 74 K HN 0.327 nan 8.250 nan 0.000 0.446 75 F N 0.222 120.191 119.950 0.032 0.000 2.990 75 F HA 0.180 4.707 4.527 -0.000 0.000 0.357 75 F C 1.077 176.915 175.800 0.063 0.000 1.395 75 F CA -0.880 57.145 58.000 0.043 0.000 1.087 75 F CB 0.055 39.047 39.000 -0.015 0.000 1.655 75 F HN 0.348 nan 8.300 nan 0.000 0.456 76 Q N 2.240 122.234 119.800 0.323 0.000 2.432 76 Q HA 0.146 4.486 4.340 -0.000 0.000 0.264 76 Q C -1.343 174.753 176.000 0.159 0.000 1.035 76 Q CA 0.180 56.111 55.803 0.213 0.000 0.908 76 Q CB 0.681 29.541 28.738 0.204 0.000 1.280 76 Q HN 0.543 nan 8.270 nan 0.000 0.455 77 K N 1.023 121.502 120.400 0.131 0.000 2.110 77 K HA 0.461 4.781 4.320 -0.000 0.000 0.263 77 K C -0.807 175.848 176.600 0.091 0.000 0.975 77 K CA -0.803 55.545 56.287 0.101 0.000 0.895 77 K CB 1.871 34.422 32.500 0.085 0.000 1.060 77 K HN 0.425 nan 8.250 nan 0.000 0.448 78 V N 3.486 123.441 119.914 0.068 0.000 2.465 78 V HA 0.047 4.167 4.120 -0.000 0.000 0.279 78 V C 1.002 177.091 176.094 -0.007 0.000 1.045 78 V CA -0.147 62.174 62.300 0.036 0.000 0.938 78 V CB 1.347 33.208 31.823 0.063 0.000 0.986 78 V HN 0.727 nan 8.190 nan 0.000 0.467 79 K N 3.890 124.271 120.400 -0.032 0.000 2.098 79 K HA 0.348 4.668 4.320 -0.000 0.000 0.203 79 K C 0.677 177.173 176.600 -0.173 0.000 1.051 79 K CA 1.487 57.704 56.287 -0.117 0.000 0.957 79 K CB -0.065 32.370 32.500 -0.108 0.000 0.738 79 K HN 1.002 nan 8.250 nan 0.000 0.447 80 G N -2.075 106.604 108.800 -0.203 0.000 2.350 80 G HA2 0.244 4.204 3.960 -0.000 0.000 0.282 80 G HA3 0.244 4.204 3.960 -0.000 0.000 0.282 80 G C -1.511 173.079 174.900 -0.516 0.000 1.314 80 G CA -0.816 44.159 45.100 -0.209 0.000 0.915 80 G HN 0.018 nan 8.290 nan 0.000 0.499 81 F N -0.226 119.679 119.950 -0.076 0.000 2.613 81 F HA 0.893 5.420 4.527 -0.000 0.000 0.314 81 F C 0.846 176.369 175.800 -0.462 0.000 1.075 81 F CA 0.496 58.383 58.000 -0.188 0.000 0.945 81 F CB 2.319 41.218 39.000 -0.168 0.000 1.310 81 F HN 1.376 nan 8.300 nan 0.000 0.467 82 G N -0.297 108.165 108.800 -0.564 0.000 2.392 82 G HA2 0.547 4.507 3.960 -0.000 0.000 0.260 82 G HA3 0.547 4.507 3.960 -0.000 0.000 0.260 82 G C -1.233 173.301 174.900 -0.611 0.000 1.226 82 G CA 0.028 44.479 45.100 -1.082 0.000 0.913 82 G HN 1.173 nan 8.290 nan 0.000 0.483 83 G N -1.620 107.060 108.800 -0.200 0.000 2.606 83 G HA2 0.789 4.749 3.960 -0.000 0.000 0.300 83 G HA3 0.789 4.749 3.960 -0.000 0.000 0.300 83 G C -1.091 173.869 174.900 0.099 0.000 1.360 83 G CA 0.512 45.617 45.100 0.009 0.000 0.783 83 G HN 1.854 nan 8.290 nan 0.000 0.484 84 A N -0.337 122.552 122.820 0.114 0.000 2.292 84 A HA 0.650 4.970 4.320 -0.000 0.000 0.319 84 A C -0.175 177.420 177.584 0.017 0.000 1.206 84 A CA -0.554 51.568 52.037 0.142 0.000 0.835 84 A CB 1.242 20.404 19.000 0.271 0.000 1.164 84 A HN 0.777 nan 8.150 nan 0.000 0.505 85 M N 3.982 123.629 119.600 0.078 0.000 3.347 85 M HA 0.216 4.696 4.480 -0.000 0.000 0.260 85 M C 0.641 176.950 176.300 0.016 0.000 1.362 85 M CA -0.173 55.152 55.300 0.043 0.000 1.497 85 M CB -0.665 31.992 32.600 0.095 0.000 1.080 85 M HN 0.761 nan 8.290 nan 0.000 0.592 86 T N -1.224 113.256 114.554 -0.123 0.000 2.813 86 T HA 0.195 4.545 4.350 -0.000 0.000 0.297 86 T C 0.834 175.502 174.700 -0.054 0.000 1.036 86 T CA -0.550 61.457 62.100 -0.155 0.000 1.044 86 T CB 0.636 69.264 68.868 -0.399 0.000 0.993 86 T HN 0.505 nan 8.240 nan 0.000 0.535 87 D N 1.136 121.536 120.400 0.000 0.000 2.116 87 D HA -0.139 4.501 4.640 -0.000 0.000 0.193 87 D C 2.364 178.678 176.300 0.023 0.000 0.998 87 D CA 1.893 55.922 54.000 0.048 0.000 0.836 87 D CB -0.948 39.912 40.800 0.100 0.000 0.951 87 D HN 0.750 nan 8.370 nan 0.000 0.449 88 A N 1.156 123.986 122.820 0.016 0.000 1.865 88 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 88 A C 2.372 179.930 177.584 -0.044 0.000 1.191 88 A CA 2.824 54.878 52.037 0.028 0.000 0.623 88 A CB -1.018 18.057 19.000 0.126 0.000 0.826 88 A HN 0.261 nan 8.150 nan 0.000 0.444 89 A N -0.324 122.422 122.820 -0.123 0.000 1.883 89 A HA 0.109 4.429 4.320 -0.000 0.000 0.217 89 A C 2.538 180.095 177.584 -0.045 0.000 1.186 89 A CA 2.454 54.425 52.037 -0.110 0.000 0.624 89 A CB -1.117 17.795 19.000 -0.147 0.000 0.822 89 A HN 1.167 nan 8.150 nan 0.000 0.444 90 A N -0.552 122.254 122.820 -0.024 0.000 1.930 90 A HA -0.000 4.320 4.320 -0.000 0.000 0.217 90 A C 2.174 179.755 177.584 -0.005 0.000 1.175 90 A CA 1.451 53.484 52.037 -0.005 0.000 0.627 90 A CB -0.594 18.413 19.000 0.011 0.000 0.815 90 A HN 0.462 nan 8.150 nan 0.000 0.443 91 L N 0.031 121.255 121.223 0.002 0.000 2.012 91 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 91 L C 2.441 179.310 176.870 -0.002 0.000 1.073 91 L CA 1.491 56.334 54.840 0.006 0.000 0.748 91 L CB -0.602 41.469 42.059 0.020 0.000 0.891 91 L HN 0.423 nan 8.230 nan 0.000 0.431 92 N N 0.113 118.808 118.700 -0.009 0.000 2.084 92 N HA -0.159 4.581 4.740 -0.000 0.000 0.190 92 N C 1.942 177.430 175.510 -0.038 0.000 1.030 92 N CA 1.570 54.609 53.050 -0.017 0.000 0.849 92 N CB -0.249 38.226 38.487 -0.020 0.000 1.012 92 N HN 0.321 nan 8.380 nan 0.000 0.423 93 I N 1.453 121.994 120.570 -0.047 0.000 2.127 93 I HA -0.247 3.923 4.170 -0.000 0.000 0.241 93 I C 2.022 178.109 176.117 -0.050 0.000 1.075 93 I CA 1.020 62.277 61.300 -0.071 0.000 1.334 93 I CB -0.326 37.641 38.000 -0.054 0.000 1.040 93 I HN 0.019 nan 8.210 nan 0.000 0.405 94 L N 0.555 121.762 121.223 -0.026 0.000 2.450 94 L HA -0.149 4.191 4.340 -0.000 0.000 0.224 94 L C 2.627 179.491 176.870 -0.010 0.000 1.149 94 L CA 0.726 55.556 54.840 -0.016 0.000 0.816 94 L CB -0.697 41.358 42.059 -0.008 0.000 0.932 94 L HN 0.247 nan 8.230 nan 0.000 0.449 95 A N -0.074 122.739 122.820 -0.011 0.000 2.019 95 A HA -0.002 4.318 4.320 -0.000 0.000 0.219 95 A C 1.252 178.836 177.584 0.000 0.000 1.164 95 A CA 0.719 52.755 52.037 -0.002 0.000 0.644 95 A CB -0.406 18.596 19.000 0.002 0.000 0.805 95 A HN 0.283 nan 8.150 nan 0.000 0.449 96 L N 0.432 121.650 121.223 -0.007 0.000 2.456 96 L HA 0.260 4.600 4.340 -0.000 0.000 0.257 96 L C 1.032 177.907 176.870 0.009 0.000 1.162 96 L CA -0.473 54.371 54.840 0.006 0.000 0.808 96 L CB 0.928 42.987 42.059 0.000 0.000 1.136 96 L HN 0.334 nan 8.230 nan 0.000 0.466 97 S N 0.075 115.787 115.700 0.020 0.000 2.593 97 S HA 0.171 4.641 4.470 -0.000 0.000 0.269 97 S C -1.994 172.616 174.600 0.016 0.000 1.334 97 S CA -1.044 57.167 58.200 0.018 0.000 1.015 97 S CB 0.786 64.000 63.200 0.023 0.000 0.912 97 S HN 0.393 nan 8.310 nan 0.000 0.541 98 P HA -0.009 nan 4.420 nan 0.000 0.215 98 P C -1.558 175.753 177.300 0.017 0.000 1.153 98 P CA 1.237 64.343 63.100 0.010 0.000 0.853 98 P CB -1.177 30.528 31.700 0.008 0.000 0.788 99 P HA -0.133 nan 4.420 nan 0.000 0.218 99 P C 1.355 178.687 177.300 0.054 0.000 1.148 99 P CA 1.833 64.952 63.100 0.032 0.000 0.822 99 P CB -0.583 31.135 31.700 0.031 0.000 0.784 100 A N -0.477 122.384 122.820 0.069 0.000 1.929 100 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 100 A C 2.204 179.821 177.584 0.055 0.000 1.176 100 A CA 1.216 53.336 52.037 0.139 0.000 0.628 100 A CB -1.143 17.954 19.000 0.162 0.000 0.816 100 A HN 0.158 nan 8.150 nan 0.000 0.444 101 Q N 0.059 119.853 119.800 -0.010 0.000 2.096 101 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 101 Q C 1.750 177.725 176.000 -0.042 0.000 0.982 101 Q CA 1.568 57.333 55.803 -0.062 0.000 0.850 101 Q CB -0.254 28.465 28.738 -0.032 0.000 0.901 101 Q HN 0.617 nan 8.270 nan 0.000 0.422 102 N N 0.557 119.259 118.700 0.003 0.000 2.142 102 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 102 N C 1.868 177.398 175.510 0.033 0.000 1.023 102 N CA 0.951 54.014 53.050 0.021 0.000 0.852 102 N CB -0.204 38.298 38.487 0.025 0.000 0.998 102 N HN 0.232 nan 8.380 nan 0.000 0.424 103 L N 0.722 121.980 121.223 0.058 0.000 2.042 103 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 103 L C 2.427 179.341 176.870 0.073 0.000 1.076 103 L CA 0.739 55.646 54.840 0.112 0.000 0.749 103 L CB -0.456 41.728 42.059 0.209 0.000 0.893 103 L HN 0.140 nan 8.230 nan 0.000 0.432 104 L N -0.229 120.897 121.223 -0.162 0.000 1.994 104 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 104 L C 2.498 179.300 176.870 -0.113 0.000 1.071 104 L CA 1.436 56.000 54.840 -0.461 0.000 0.745 104 L CB -0.098 41.477 42.059 -0.806 0.000 0.892 104 L HN 0.165 nan 8.230 nan 0.000 0.431 105 L N -0.609 120.631 121.223 0.029 0.000 2.083 105 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 105 L C 2.564 179.593 176.870 0.265 0.000 1.083 105 L CA 1.294 56.279 54.840 0.242 0.000 0.752 105 L CB -0.517 41.655 42.059 0.189 0.000 0.899 105 L HN 0.215 nan 8.230 nan 0.000 0.433 106 K N -0.374 120.105 120.400 0.132 0.000 2.097 106 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 106 K C 2.341 178.991 176.600 0.084 0.000 1.050 106 K CA 1.314 57.673 56.287 0.119 0.000 0.938 106 K CB -0.105 32.441 32.500 0.077 0.000 0.718 106 K HN 0.125 nan 8.250 nan 0.000 0.442 107 S N 0.466 116.179 115.700 0.022 0.000 2.365 107 S HA -0.187 4.283 4.470 -0.000 0.000 0.225 107 S C 1.823 176.394 174.600 -0.048 0.000 1.039 107 S CA 1.428 59.616 58.200 -0.020 0.000 1.033 107 S CB -0.380 62.693 63.200 -0.213 0.000 0.887 107 S HN 0.327 nan 8.310 nan 0.000 0.447 108 Y N -0.838 119.353 120.300 -0.182 0.000 2.220 108 Y HA -0.009 4.541 4.550 -0.000 0.000 0.291 108 Y C 1.762 177.187 175.900 -0.791 0.000 1.129 108 Y CA 0.994 58.657 58.100 -0.728 0.000 1.161 108 Y CB -0.008 37.800 38.460 -1.087 0.000 0.997 108 Y HN 0.222 nan 8.280 nan 0.000 0.522 109 F N -2.313 117.697 119.950 0.101 0.000 2.694 109 F HA 0.150 4.676 4.527 -0.000 0.000 0.292 109 F C 1.241 177.071 175.800 0.051 0.000 1.121 109 F CA -0.192 57.867 58.000 0.097 0.000 1.352 109 F CB 0.300 39.361 39.000 0.102 0.000 1.107 109 F HN -0.292 nan 8.300 nan 0.000 0.597 110 S N 0.180 115.985 115.700 0.175 0.000 2.672 110 S HA 0.089 4.559 4.470 -0.000 0.000 0.276 110 S C 1.298 175.923 174.600 0.042 0.000 1.207 110 S CA -0.461 57.808 58.200 0.116 0.000 1.002 110 S CB 1.226 64.492 63.200 0.109 0.000 0.998 110 S HN 0.352 nan 8.310 nan 0.000 0.542 111 E N 0.933 121.151 120.200 0.030 0.000 2.160 111 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 111 E C 1.028 177.635 176.600 0.010 0.000 0.991 111 E CA 1.397 57.788 56.400 -0.014 0.000 0.810 111 E CB -0.030 29.675 29.700 0.009 0.000 0.742 111 E HN 0.779 nan 8.360 nan 0.000 0.466 112 E N -0.531 119.717 120.200 0.080 0.000 2.502 112 E HA 0.075 4.425 4.350 -0.000 0.000 0.194 112 E C 0.728 177.504 176.600 0.294 0.000 1.062 112 E CA 0.205 56.709 56.400 0.173 0.000 0.867 112 E CB 0.709 30.473 29.700 0.108 0.000 0.888 112 E HN 0.196 nan 8.360 nan 0.000 0.510 113 G N 1.283 110.188 108.800 0.175 0.000 3.175 113 G HA2 0.357 4.317 3.960 -0.000 0.000 0.153 113 G HA3 0.357 4.317 3.960 -0.000 0.000 0.153 113 G C 0.601 175.466 174.900 -0.058 0.000 1.216 113 G CA -0.570 44.642 45.100 0.186 0.000 0.943 113 G HN 0.204 nan 8.290 nan 0.000 0.611 114 I N -2.316 118.141 120.570 -0.188 0.000 3.976 114 I HA 0.470 4.640 4.170 -0.000 0.000 0.337 114 I C 1.195 177.118 176.117 -0.322 0.000 1.359 114 I CA 0.380 61.421 61.300 -0.432 0.000 1.098 114 I CB 0.374 38.006 38.000 -0.613 0.000 1.027 114 I HN 0.815 nan 8.210 nan 0.000 0.394 115 G N 1.450 110.141 108.800 -0.180 0.000 2.273 115 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.280 115 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.280 115 G C 0.051 175.021 174.900 0.117 0.000 1.047 115 G CA -0.070 45.002 45.100 -0.046 0.000 0.869 115 G HN 0.645 nan 8.290 nan 0.000 0.502 116 Y N 0.182 120.403 120.300 -0.130 0.000 2.993 116 Y HA -0.061 4.489 4.550 -0.000 0.000 0.340 116 Y C 1.713 177.704 175.900 0.152 0.000 1.273 116 Y CA 0.793 58.854 58.100 -0.066 0.000 1.545 116 Y CB 0.474 38.667 38.460 -0.445 0.000 1.275 116 Y HN 0.514 nan 8.280 nan 0.000 0.617 117 N N 2.985 121.815 118.700 0.217 0.000 2.240 117 N HA 0.170 4.910 4.740 -0.000 0.000 0.240 117 N C -0.954 174.610 175.510 0.089 0.000 1.277 117 N CA 0.172 53.321 53.050 0.164 0.000 0.873 117 N CB 0.350 38.884 38.487 0.079 0.000 1.222 117 N HN 0.448 nan 8.380 nan 0.000 0.507 118 I N 1.254 121.885 120.570 0.102 0.000 2.569 118 I HA 0.473 4.643 4.170 -0.000 0.000 0.290 118 I C -0.967 175.248 176.117 0.163 0.000 1.088 118 I CA -0.800 60.555 61.300 0.091 0.000 1.047 118 I CB 2.375 40.415 38.000 0.066 0.000 1.237 118 I HN -0.143 nan 8.210 nan 0.000 0.421 119 I N 5.332 126.015 120.570 0.188 0.000 2.478 119 I HA 0.395 4.565 4.170 -0.000 0.000 0.287 119 I C -0.199 176.064 176.117 0.243 0.000 1.042 119 I CA -0.548 60.877 61.300 0.208 0.000 1.067 119 I CB 2.252 40.353 38.000 0.169 0.000 1.233 119 I HN 0.508 nan 8.210 nan 0.000 0.431 120 R N 5.228 125.888 120.500 0.267 0.000 2.357 120 R HA 0.677 5.017 4.340 -0.000 0.000 0.296 120 R C -1.422 175.079 176.300 0.335 0.000 1.052 120 R CA -0.368 55.931 56.100 0.332 0.000 0.988 120 R CB 1.299 31.811 30.300 0.353 0.000 1.025 120 R HN 0.442 nan 8.270 nan 0.000 0.469 121 V N 7.250 127.395 119.914 0.384 0.000 2.376 121 V HA 0.336 4.456 4.120 -0.000 0.000 0.287 121 V C -2.252 174.030 176.094 0.312 0.000 1.015 121 V CA -2.153 60.367 62.300 0.367 0.000 0.834 121 V CB 1.667 33.788 31.823 0.497 0.000 1.001 121 V HN 0.836 nan 8.190 nan 0.000 0.428 122 P HA 0.261 nan 4.420 nan 0.000 0.271 122 P C -0.372 177.005 177.300 0.129 0.000 1.216 122 P CA -0.180 63.078 63.100 0.263 0.000 0.771 122 P CB 0.446 32.156 31.700 0.016 0.000 0.864 123 M N 3.100 122.689 119.600 -0.019 0.000 2.156 123 M HA 0.376 4.856 4.480 -0.000 0.000 0.345 123 M C 0.970 177.199 176.300 -0.119 0.000 1.398 123 M CA 0.346 55.535 55.300 -0.185 0.000 1.148 123 M CB -0.346 31.924 32.600 -0.550 0.000 1.663 123 M HN 0.629 nan 8.290 nan 0.000 0.464 124 A N 2.350 125.017 122.820 -0.255 0.000 5.585 124 A HA -0.202 4.118 4.320 -0.000 0.000 0.295 124 A C 0.266 177.602 177.584 -0.413 0.000 1.985 124 A CA 0.925 52.655 52.037 -0.511 0.000 0.716 124 A CB -1.805 16.633 19.000 -0.937 0.000 1.237 124 A HN 0.929 nan 8.150 nan 0.000 0.371 125 S N -0.260 114.988 115.700 -0.753 0.000 2.525 125 S HA 0.685 5.155 4.470 -0.000 0.000 0.290 125 S C 0.303 174.668 174.600 -0.393 0.000 1.152 125 S CA -0.006 57.777 58.200 -0.696 0.000 1.072 125 S CB 1.037 63.584 63.200 -1.087 0.000 1.027 125 S HN 2.355 nan 8.310 nan 0.000 0.500 126 C N 0.624 119.689 119.300 -0.391 0.000 3.459 126 C HA 0.648 5.108 4.460 -0.000 0.000 0.358 126 C C 1.514 176.474 174.990 -0.051 0.000 2.992 126 C CA -0.001 58.703 59.018 -0.523 0.000 1.568 126 C CB 0.284 27.134 27.740 -1.484 0.000 3.388 126 C HN 0.898 nan 8.230 nan 0.000 0.515 127 D N 0.455 120.806 120.400 -0.082 0.000 2.224 127 D HA -0.094 4.546 4.640 -0.000 0.000 0.205 127 D C 0.568 176.711 176.300 -0.262 0.000 0.965 127 D CA 0.997 54.900 54.000 -0.162 0.000 0.852 127 D CB -0.431 40.010 40.800 -0.599 0.000 0.947 127 D HN 0.577 nan 8.370 nan 0.000 0.494 128 F N 1.547 121.447 119.950 -0.084 0.000 2.669 128 F HA 0.281 4.808 4.527 -0.000 0.000 0.353 128 F C 0.360 176.120 175.800 -0.067 0.000 1.192 128 F CA -0.020 57.909 58.000 -0.118 0.000 1.317 128 F CB 0.070 38.885 39.000 -0.309 0.000 1.652 128 F HN -0.245 nan 8.300 nan 0.000 0.608 129 S N 0.536 116.321 115.700 0.142 0.000 2.618 129 S HA 0.458 4.928 4.470 -0.000 0.000 0.277 129 S C 0.561 175.263 174.600 0.169 0.000 1.138 129 S CA -0.771 57.514 58.200 0.142 0.000 0.844 129 S CB 1.790 65.041 63.200 0.086 0.000 1.127 129 S HN 0.407 nan 8.310 nan 0.000 0.474 130 I N -0.398 120.246 120.570 0.122 0.000 3.904 130 I HA 0.450 4.620 4.170 -0.000 0.000 0.333 130 I C 0.279 176.412 176.117 0.026 0.000 1.361 130 I CA -0.182 61.177 61.300 0.098 0.000 1.116 130 I CB -0.280 37.762 38.000 0.070 0.000 1.028 130 I HN 0.565 nan 8.210 nan 0.000 0.398 131 R N 0.542 121.009 120.500 -0.055 0.000 2.741 131 R HA 0.377 4.717 4.340 -0.000 0.000 0.276 131 R C -1.203 174.905 176.300 -0.320 0.000 1.028 131 R CA -0.347 55.631 56.100 -0.203 0.000 0.865 131 R CB 0.572 30.842 30.300 -0.050 0.000 1.268 131 R HN 0.102 nan 8.270 nan 0.000 0.475 132 T N -0.609 113.662 114.554 -0.473 0.000 2.907 132 T HA 0.709 5.059 4.350 -0.000 0.000 0.284 132 T C -0.477 174.150 174.700 -0.121 0.000 1.004 132 T CA -0.411 61.403 62.100 -0.477 0.000 1.063 132 T CB 0.709 69.228 68.868 -0.583 0.000 0.992 132 T HN 0.706 nan 8.240 nan 0.000 0.483 133 Y N -1.603 118.585 120.300 -0.187 0.000 2.717 133 Y HA 0.611 5.160 4.550 -0.000 0.000 0.345 133 Y C -0.644 175.176 175.900 -0.132 0.000 1.187 133 Y CA -0.991 57.034 58.100 -0.126 0.000 1.128 133 Y CB 0.427 38.827 38.460 -0.100 0.000 1.360 133 Y HN 1.029 nan 8.280 nan 0.000 0.467 134 T N -2.461 112.118 114.554 0.041 0.000 2.773 134 T HA 0.445 4.795 4.350 -0.000 0.000 0.278 134 T C -0.415 174.345 174.700 0.099 0.000 1.011 134 T CA -0.673 61.394 62.100 -0.055 0.000 1.014 134 T CB 1.083 69.944 68.868 -0.012 0.000 1.293 134 T HN 0.767 nan 8.240 nan 0.000 0.554 135 Y N -0.041 120.410 120.300 0.252 0.000 2.529 135 Y HA 0.498 5.048 4.550 -0.000 0.000 0.290 135 Y C 1.507 177.332 175.900 -0.125 0.000 1.177 135 Y CA -0.234 57.756 58.100 -0.183 0.000 1.305 135 Y CB 0.349 38.236 38.460 -0.954 0.000 1.047 135 Y HN 0.781 nan 8.280 nan 0.000 0.522 136 A N -0.289 122.748 122.820 0.361 0.000 3.409 136 A HA 0.263 4.583 4.320 -0.000 0.000 0.282 136 A C -0.244 177.637 177.584 0.496 0.000 1.064 136 A CA -0.486 51.823 52.037 0.454 0.000 0.889 136 A CB -0.154 19.275 19.000 0.714 0.000 1.251 136 A HN 0.134 nan 8.150 nan 0.000 0.538 137 D N 0.302 120.901 120.400 0.332 0.000 2.305 137 D HA 0.008 4.648 4.640 -0.000 0.000 0.206 137 D C 0.451 176.885 176.300 0.224 0.000 0.974 137 D CA 0.973 55.159 54.000 0.309 0.000 0.871 137 D CB 0.215 41.121 40.800 0.178 0.000 0.947 137 D HN 0.409 nan 8.370 nan 0.000 0.516 138 T N 3.942 118.571 114.554 0.126 0.000 2.792 138 T HA 0.101 4.451 4.350 -0.000 0.000 0.286 138 T C -2.368 172.135 174.700 -0.328 0.000 0.970 138 T CA -0.856 61.221 62.100 -0.039 0.000 1.187 138 T CB 0.955 69.810 68.868 -0.021 0.000 0.915 138 T HN -0.023 nan 8.240 nan 0.000 0.529 139 P HA 0.157 nan 4.420 nan 0.000 0.269 139 P C 0.166 176.785 177.300 -1.134 0.000 1.209 139 P CA -0.018 62.498 63.100 -0.974 0.000 0.776 139 P CB 0.310 31.791 31.700 -0.364 0.000 0.876 140 D N -0.627 118.720 120.400 -1.755 0.000 2.945 140 D HA -0.189 4.451 4.640 -0.000 0.000 0.225 140 D C -0.129 175.630 176.300 -0.903 0.000 1.158 140 D CA 1.090 54.420 54.000 -1.116 0.000 0.805 140 D CB -1.788 38.858 40.800 -0.257 0.000 1.098 140 D HN 0.460 nan 8.370 nan 0.000 0.426 141 D N -0.668 118.993 120.400 -1.231 0.000 2.741 141 D HA 0.146 4.786 4.640 -0.000 0.000 0.233 141 D C 0.988 177.234 176.300 -0.089 0.000 1.160 141 D CA -0.369 53.383 54.000 -0.414 0.000 1.003 141 D CB -0.743 39.933 40.800 -0.207 0.000 1.064 141 D HN 0.119 nan 8.370 nan 0.000 0.503 142 F N 0.207 120.219 119.950 0.104 0.000 2.293 142 F HA -0.088 4.439 4.527 -0.000 0.000 0.300 142 F C 2.259 178.154 175.800 0.158 0.000 1.086 142 F CA 0.658 58.815 58.000 0.263 0.000 1.375 142 F CB 0.146 39.244 39.000 0.163 0.000 1.045 142 F HN 0.228 nan 8.300 nan 0.000 0.516 143 Q N 0.105 119.997 119.800 0.152 0.000 2.403 143 Q HA 0.148 4.488 4.340 -0.000 0.000 0.203 143 Q C 0.877 176.784 176.000 -0.156 0.000 0.932 143 Q CA 0.164 55.917 55.803 -0.084 0.000 0.945 143 Q CB -0.083 28.453 28.738 -0.337 0.000 1.045 143 Q HN 0.485 nan 8.270 nan 0.000 0.511 144 L N 0.686 121.942 121.223 0.055 0.000 3.660 144 L HA -0.314 4.026 4.340 -0.000 0.000 0.440 144 L C 0.699 177.658 176.870 0.148 0.000 1.262 144 L CA 0.122 55.085 54.840 0.206 0.000 0.837 144 L CB -1.981 40.252 42.059 0.291 0.000 1.689 144 L HN 0.401 nan 8.230 nan 0.000 0.890 145 H N -0.656 118.533 119.070 0.198 0.000 2.395 145 H HA 0.008 4.564 4.556 -0.000 0.000 0.299 145 H C 1.641 177.072 175.328 0.173 0.000 1.070 145 H CA 1.455 57.596 56.048 0.154 0.000 1.356 145 H CB 0.165 29.990 29.762 0.106 0.000 1.401 145 H HN 0.503 nan 8.280 nan 0.000 0.524 146 N N 0.801 119.678 118.700 0.294 0.000 2.313 146 N HA -0.038 4.702 4.740 -0.000 0.000 0.207 146 N C -0.397 175.277 175.510 0.273 0.000 1.141 146 N CA -0.052 53.137 53.050 0.232 0.000 0.830 146 N CB -0.036 38.546 38.487 0.157 0.000 1.008 146 N HN 0.193 nan 8.380 nan 0.000 0.481 147 F N 2.889 122.948 119.950 0.182 0.000 2.578 147 F HA 0.037 4.564 4.527 -0.000 0.000 0.376 147 F C 0.715 176.588 175.800 0.122 0.000 1.085 147 F CA 0.023 58.130 58.000 0.177 0.000 1.260 147 F CB 0.450 39.523 39.000 0.122 0.000 1.095 147 F HN -0.011 nan 8.300 nan 0.000 0.573 148 S N 5.721 121.256 115.700 -0.275 0.000 2.595 148 S HA 0.538 5.008 4.470 -0.000 0.000 0.270 148 S C -1.463 173.012 174.600 -0.208 0.000 1.145 148 S CA -1.296 56.838 58.200 -0.110 0.000 0.825 148 S CB 0.893 64.123 63.200 0.050 0.000 1.107 148 S HN 0.704 nan 8.310 nan 0.000 0.461 149 L N 2.345 123.509 121.223 -0.098 0.000 2.290 149 L HA 0.523 4.863 4.340 -0.000 0.000 0.284 149 L C -1.801 175.074 176.870 0.009 0.000 1.078 149 L CA -1.678 53.127 54.840 -0.058 0.000 0.815 149 L CB 0.574 42.581 42.059 -0.087 0.000 1.162 149 L HN 0.600 nan 8.230 nan 0.000 0.435 150 P HA 0.065 nan 4.420 nan 0.000 0.279 150 P C 0.334 177.592 177.300 -0.070 0.000 1.282 150 P CA -0.545 62.514 63.100 -0.069 0.000 0.788 150 P CB 0.953 32.504 31.700 -0.248 0.000 1.139 151 E N 0.174 120.315 120.200 -0.098 0.000 2.118 151 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 151 E C 1.429 177.996 176.600 -0.055 0.000 0.992 151 E CA 1.415 57.774 56.400 -0.068 0.000 0.804 151 E CB -0.106 29.552 29.700 -0.069 0.000 0.741 151 E HN 0.356 nan 8.360 nan 0.000 0.458 152 E N 0.972 121.127 120.200 -0.074 0.000 2.086 152 E HA -0.228 4.122 4.350 -0.000 0.000 0.200 152 E C 1.872 178.502 176.600 0.051 0.000 1.012 152 E CA 1.967 58.363 56.400 -0.007 0.000 0.812 152 E CB -0.063 29.645 29.700 0.012 0.000 0.743 152 E HN 0.390 nan 8.360 nan 0.000 0.453 153 D N -0.975 119.472 120.400 0.078 0.000 2.091 153 D HA -0.089 4.551 4.640 -0.000 0.000 0.199 153 D C 2.100 178.331 176.300 -0.114 0.000 0.980 153 D CA 2.034 56.073 54.000 0.066 0.000 0.831 153 D CB -0.147 40.741 40.800 0.147 0.000 0.987 153 D HN 0.341 nan 8.370 nan 0.000 0.460 154 T N -0.555 113.922 114.554 -0.129 0.000 2.985 154 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 154 T C 1.786 176.431 174.700 -0.092 0.000 1.076 154 T CA 0.959 62.955 62.100 -0.173 0.000 1.135 154 T CB 0.130 68.951 68.868 -0.079 0.000 0.890 154 T HN 0.107 nan 8.240 nan 0.000 0.480 155 K N 0.234 120.602 120.400 -0.054 0.000 2.391 155 K HA 0.356 4.676 4.320 -0.000 0.000 0.197 155 K C 1.618 178.206 176.600 -0.021 0.000 1.087 155 K CA 0.015 56.285 56.287 -0.029 0.000 1.012 155 K CB 0.196 32.684 32.500 -0.021 0.000 0.925 155 K HN 0.364 nan 8.250 nan 0.000 0.547 156 L N -0.158 121.054 121.223 -0.018 0.000 2.670 156 L HA 0.288 4.628 4.340 -0.000 0.000 0.177 156 L C 2.058 178.927 176.870 -0.002 0.000 1.181 156 L CA -0.168 54.670 54.840 -0.003 0.000 0.856 156 L CB -0.464 41.601 42.059 0.010 0.000 1.205 156 L HN -0.129 nan 8.230 nan 0.000 0.506 157 K N 0.911 121.322 120.400 0.020 0.000 1.985 157 K HA -0.086 4.234 4.320 -0.000 0.000 0.210 157 K C 2.060 178.650 176.600 -0.017 0.000 1.047 157 K CA 1.615 57.929 56.287 0.045 0.000 0.932 157 K CB -0.226 32.361 32.500 0.145 0.000 0.716 157 K HN 0.140 nan 8.250 nan 0.000 0.439 158 I N 0.811 121.322 120.570 -0.099 0.000 2.113 158 I HA -0.214 3.956 4.170 -0.000 0.000 0.238 158 I C -0.990 175.024 176.117 -0.171 0.000 1.070 158 I CA 1.254 62.408 61.300 -0.243 0.000 1.332 158 I CB -0.881 36.840 38.000 -0.465 0.000 1.044 158 I HN 0.091 nan 8.210 nan 0.000 0.402 159 P HA -0.153 nan 4.420 nan 0.000 0.218 159 P C 1.889 179.194 177.300 0.010 0.000 1.148 159 P CA 1.419 64.545 63.100 0.043 0.000 0.822 159 P CB 0.011 31.729 31.700 0.029 0.000 0.784 160 L N -1.496 119.711 121.223 -0.027 0.000 2.093 160 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 160 L C 2.378 179.196 176.870 -0.087 0.000 1.085 160 L CA 1.273 56.092 54.840 -0.035 0.000 0.755 160 L CB -0.713 41.336 42.059 -0.018 0.000 0.904 160 L HN -0.063 nan 8.230 nan 0.000 0.435 161 I N -1.225 119.269 120.570 -0.127 0.000 2.179 161 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 161 I C 2.633 178.621 176.117 -0.215 0.000 1.088 161 I CA 0.979 62.158 61.300 -0.201 0.000 1.357 161 I CB -0.620 37.264 38.000 -0.193 0.000 1.051 161 I HN 0.313 nan 8.210 nan 0.000 0.409 162 H N 1.285 120.299 119.070 -0.093 0.000 2.319 162 H HA -0.155 4.400 4.556 -0.000 0.000 0.297 162 H C 2.490 177.760 175.328 -0.096 0.000 1.097 162 H CA 1.613 57.611 56.048 -0.084 0.000 1.285 162 H CB -0.316 29.411 29.762 -0.058 0.000 1.368 162 H HN 0.327 nan 8.280 nan 0.000 0.495 163 R N 0.170 120.684 120.500 0.023 0.000 2.092 163 R HA 0.003 4.343 4.340 -0.000 0.000 0.231 163 R C 2.583 178.831 176.300 -0.087 0.000 1.119 163 R CA 0.918 57.008 56.100 -0.016 0.000 0.970 163 R CB -0.151 30.145 30.300 -0.006 0.000 0.864 163 R HN 0.229 nan 8.270 nan 0.000 0.440 164 A N 1.255 123.947 122.820 -0.213 0.000 1.933 164 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 164 A C 2.121 179.489 177.584 -0.360 0.000 1.175 164 A CA 1.088 52.840 52.037 -0.475 0.000 0.628 164 A CB -0.460 17.891 19.000 -1.082 0.000 0.814 164 A HN 0.159 nan 8.150 nan 0.000 0.444 165 L N -0.906 120.178 121.223 -0.233 0.000 2.141 165 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 165 L C 2.773 179.611 176.870 -0.052 0.000 1.094 165 L CA 1.431 56.195 54.840 -0.127 0.000 0.763 165 L CB -0.789 41.229 42.059 -0.069 0.000 0.908 165 L HN 0.538 nan 8.230 nan 0.000 0.437 166 Q N 0.001 119.780 119.800 -0.034 0.000 2.119 166 Q HA -0.144 4.196 4.340 -0.000 0.000 0.201 166 Q C 2.257 178.260 176.000 0.005 0.000 0.972 166 Q CA 1.126 56.925 55.803 -0.006 0.000 0.847 166 Q CB -0.028 28.709 28.738 -0.001 0.000 0.903 166 Q HN 0.500 nan 8.270 nan 0.000 0.433 167 L N 0.238 121.464 121.223 0.005 0.000 2.341 167 L HA 0.099 4.439 4.340 -0.000 0.000 0.214 167 L C 0.965 177.883 176.870 0.079 0.000 1.115 167 L CA -0.403 54.466 54.840 0.048 0.000 0.820 167 L CB -0.156 41.949 42.059 0.075 0.000 0.944 167 L HN 0.032 nan 8.230 nan 0.000 0.452 168 A N -0.169 122.692 122.820 0.068 0.000 2.445 168 A HA -0.045 4.275 4.320 -0.000 0.000 0.242 168 A C 1.235 178.874 177.584 0.091 0.000 1.075 168 A CA -0.026 52.088 52.037 0.127 0.000 0.777 168 A CB 0.436 19.502 19.000 0.110 0.000 1.013 168 A HN 0.347 nan 8.150 nan 0.000 0.493 169 Q N 0.490 120.350 119.800 0.100 0.000 2.119 169 Q HA -0.085 4.255 4.340 -0.000 0.000 0.201 169 Q C 0.239 176.269 176.000 0.051 0.000 0.972 169 Q CA 1.239 57.078 55.803 0.060 0.000 0.847 169 Q CB 0.110 28.870 28.738 0.037 0.000 0.903 169 Q HN 0.759 nan 8.270 nan 0.000 0.433 170 R N -0.020 120.516 120.500 0.061 0.000 2.854 170 R HA 0.436 4.776 4.340 -0.000 0.000 0.271 170 R C -2.647 173.675 176.300 0.037 0.000 0.994 170 R CA -2.172 53.953 56.100 0.041 0.000 0.945 170 R CB 1.068 31.390 30.300 0.037 0.000 1.194 170 R HN -0.020 nan 8.270 nan 0.000 0.476 171 P HA 0.014 nan 4.420 nan 0.000 0.263 171 P C -0.814 176.483 177.300 -0.005 0.000 1.195 171 P CA -0.086 63.014 63.100 -0.000 0.000 0.762 171 P CB 0.465 32.157 31.700 -0.013 0.000 0.799 172 V N 3.524 123.435 119.914 -0.004 0.000 2.481 172 V HA 0.266 4.386 4.120 -0.000 0.000 0.286 172 V C 0.445 176.517 176.094 -0.037 0.000 1.042 172 V CA -0.167 62.134 62.300 0.001 0.000 0.928 172 V CB 1.558 33.385 31.823 0.006 0.000 0.986 172 V HN 0.478 nan 8.190 nan 0.000 0.462 173 S N 5.418 121.085 115.700 -0.055 0.000 2.462 173 S HA 0.659 5.129 4.470 -0.000 0.000 0.294 173 S C -0.435 174.206 174.600 0.069 0.000 1.144 173 S CA -0.526 57.653 58.200 -0.036 0.000 1.088 173 S CB 0.912 63.955 63.200 -0.262 0.000 1.009 173 S HN 0.486 nan 8.310 nan 0.000 0.484 174 L N 3.456 124.708 121.223 0.048 0.000 2.307 174 L HA 0.595 4.935 4.340 -0.000 0.000 0.282 174 L C -0.653 176.439 176.870 0.369 0.000 1.051 174 L CA -0.861 53.976 54.840 -0.005 0.000 0.804 174 L CB 0.827 42.498 42.059 -0.645 0.000 1.197 174 L HN 0.414 nan 8.230 nan 0.000 0.431 175 L N 3.396 124.921 121.223 0.503 0.000 2.356 175 L HA 0.833 5.173 4.340 -0.000 0.000 0.277 175 L C -0.458 176.708 176.870 0.493 0.000 0.996 175 L CA -0.209 54.935 54.840 0.507 0.000 0.822 175 L CB 1.520 43.836 42.059 0.427 0.000 1.256 175 L HN 0.660 nan 8.230 nan 0.000 0.413 176 A N 3.270 126.247 122.820 0.262 0.000 2.340 176 A HA 0.930 5.250 4.320 -0.000 0.000 0.331 176 A C -0.752 176.807 177.584 -0.042 0.000 1.140 176 A CA -0.447 51.590 52.037 -0.001 0.000 0.801 176 A CB 1.132 19.798 19.000 -0.556 0.000 1.234 176 A HN 0.741 nan 8.150 nan 0.000 0.469 177 S N 2.470 118.176 115.700 0.010 0.000 2.548 177 S HA 0.741 5.211 4.470 -0.000 0.000 0.276 177 S C -3.098 171.539 174.600 0.061 0.000 1.129 177 S CA -1.037 57.171 58.200 0.013 0.000 0.931 177 S CB 2.196 65.405 63.200 0.015 0.000 1.068 177 S HN 0.640 nan 8.310 nan 0.000 0.480 178 P HA 0.305 nan 4.420 nan 0.000 0.290 178 P C -0.012 177.414 177.300 0.210 0.000 1.275 178 P CA -0.691 62.488 63.100 0.132 0.000 0.841 178 P CB 1.257 33.011 31.700 0.090 0.000 1.042 179 W N 0.862 122.187 121.300 0.040 0.000 2.726 179 W HA 0.048 4.708 4.660 -0.000 0.000 0.285 179 W C 0.765 177.286 176.519 0.003 0.000 1.110 179 W CA 0.798 58.176 57.345 0.055 0.000 1.579 179 W CB 0.290 29.800 29.460 0.083 0.000 1.118 179 W HN 0.248 nan 8.180 nan 0.000 0.556 180 T N -0.060 114.585 114.554 0.153 0.000 2.906 180 T HA 0.368 4.718 4.350 -0.000 0.000 0.295 180 T C -0.194 174.299 174.700 -0.344 0.000 1.075 180 T CA -0.447 61.585 62.100 -0.114 0.000 1.005 180 T CB 1.549 70.364 68.868 -0.088 0.000 1.136 180 T HN -0.089 nan 8.240 nan 0.000 0.498 181 S N 2.898 118.145 115.700 -0.756 0.000 2.707 181 S HA 0.659 5.129 4.470 -0.000 0.000 0.276 181 S C -2.777 171.428 174.600 -0.658 0.000 1.179 181 S CA -1.421 56.121 58.200 -1.096 0.000 0.992 181 S CB 0.304 62.460 63.200 -1.741 0.000 1.030 181 S HN 0.574 nan 8.310 nan 0.000 0.554 182 P HA -0.002 nan 4.420 nan 0.000 0.263 182 P C 1.229 178.130 177.300 -0.665 0.000 1.168 182 P CA 0.418 63.175 63.100 -0.571 0.000 0.759 182 P CB 0.140 31.297 31.700 -0.905 0.000 0.782 183 T N 0.109 114.458 114.554 -0.342 0.000 2.929 183 T HA -0.143 4.207 4.350 -0.000 0.000 0.271 183 T C 1.337 175.917 174.700 -0.200 0.000 1.085 183 T CA 0.582 62.538 62.100 -0.240 0.000 1.125 183 T CB -0.762 68.053 68.868 -0.088 0.000 0.874 183 T HN 0.568 nan 8.240 nan 0.000 0.494 184 W N 1.180 122.416 121.300 -0.108 0.000 2.721 184 W HA 0.233 4.892 4.660 -0.000 0.000 0.245 184 W C 0.820 177.295 176.519 -0.073 0.000 1.276 184 W CA -0.313 56.983 57.345 -0.082 0.000 1.342 184 W CB -0.946 28.469 29.460 -0.075 0.000 1.135 184 W HN 0.292 nan 8.180 nan 0.000 0.654 185 L N 0.584 121.466 121.223 -0.568 0.000 2.567 185 L HA 0.189 4.529 4.340 -0.000 0.000 0.225 185 L C 0.865 177.474 176.870 -0.436 0.000 1.119 185 L CA 0.537 55.121 54.840 -0.426 0.000 0.871 185 L CB -0.283 41.403 42.059 -0.622 0.000 1.036 185 L HN -0.268 nan 8.230 nan 0.000 0.459 186 K N -0.303 119.864 120.400 -0.388 0.000 2.123 186 K HA 0.203 4.523 4.320 -0.000 0.000 0.259 186 K C 1.244 177.679 176.600 -0.275 0.000 0.960 186 K CA -0.047 56.020 56.287 -0.366 0.000 0.872 186 K CB 1.700 33.995 32.500 -0.342 0.000 1.079 186 K HN -0.070 nan 8.250 nan 0.000 0.440 187 T N -1.639 112.759 114.554 -0.261 0.000 2.929 187 T HA -0.157 4.193 4.350 -0.000 0.000 0.271 187 T C 1.080 175.695 174.700 -0.141 0.000 1.085 187 T CA 1.426 63.408 62.100 -0.196 0.000 1.125 187 T CB -0.242 68.524 68.868 -0.170 0.000 0.874 187 T HN 0.665 nan 8.240 nan 0.000 0.494 188 N N 0.778 119.396 118.700 -0.137 0.000 2.184 188 N HA 0.194 4.934 4.740 -0.000 0.000 0.206 188 N C 1.315 176.781 175.510 -0.074 0.000 1.151 188 N CA 0.340 53.335 53.050 -0.092 0.000 0.878 188 N CB -0.373 38.065 38.487 -0.082 0.000 1.014 188 N HN 0.533 nan 8.380 nan 0.000 0.512 189 G N 0.053 108.800 108.800 -0.089 0.000 2.356 189 G HA2 0.032 3.992 3.960 -0.000 0.000 0.296 189 G HA3 0.032 3.992 3.960 -0.000 0.000 0.296 189 G C -0.016 174.857 174.900 -0.046 0.000 1.022 189 G CA 0.537 45.604 45.100 -0.055 0.000 0.961 189 G HN 0.930 nan 8.290 nan 0.000 0.510 190 A N -1.608 121.171 122.820 -0.068 0.000 2.549 190 A HA 0.845 5.165 4.320 -0.000 0.000 0.297 190 A C 0.987 178.542 177.584 -0.049 0.000 1.061 190 A CA 0.231 52.245 52.037 -0.038 0.000 0.690 190 A CB 1.147 20.136 19.000 -0.019 0.000 1.287 190 A HN 1.538 nan 8.150 nan 0.000 0.402 191 V N -0.707 119.199 119.914 -0.013 0.000 2.871 191 V HA 0.122 4.242 4.120 -0.000 0.000 0.256 191 V C 0.570 176.704 176.094 0.066 0.000 1.082 191 V CA 1.677 63.974 62.300 -0.006 0.000 1.105 191 V CB -1.485 30.340 31.823 0.005 0.000 0.713 191 V HN 0.988 nan 8.190 nan 0.000 0.473 192 N N -0.148 118.609 118.700 0.095 0.000 3.167 192 N HA 0.640 5.380 4.740 -0.000 0.000 0.323 192 N C 0.269 175.829 175.510 0.084 0.000 1.478 192 N CA 0.179 53.317 53.050 0.146 0.000 0.753 192 N CB 0.883 39.491 38.487 0.202 0.000 1.721 192 N HN 0.942 nan 8.380 nan 0.000 0.618 193 G N -0.239 108.625 108.800 0.106 0.000 2.855 193 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.352 193 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.352 193 G C -0.821 174.090 174.900 0.019 0.000 1.415 193 G CA -0.157 44.977 45.100 0.057 0.000 0.871 193 G HN 0.890 nan 8.290 nan 0.000 0.543 194 K N 0.705 121.099 120.400 -0.010 0.000 2.382 194 K HA 0.498 4.818 4.320 -0.000 0.000 0.286 194 K C 0.559 177.113 176.600 -0.078 0.000 1.062 194 K CA 0.734 56.992 56.287 -0.048 0.000 1.000 194 K CB -0.519 31.956 32.500 -0.042 0.000 0.954 194 K HN 1.718 nan 8.250 nan 0.000 0.470 195 G N 2.061 110.791 108.800 -0.117 0.000 2.503 195 G HA2 0.225 4.185 3.960 -0.000 0.000 0.305 195 G HA3 0.225 4.185 3.960 -0.000 0.000 0.305 195 G C -1.221 173.535 174.900 -0.240 0.000 1.575 195 G CA -0.640 44.365 45.100 -0.158 0.000 0.890 195 G HN 0.594 nan 8.290 nan 0.000 0.612 196 S N 0.974 116.508 115.700 -0.276 0.000 2.801 196 S HA 0.809 5.278 4.470 -0.000 0.000 0.312 196 S C 0.194 174.523 174.600 -0.451 0.000 1.112 196 S CA -1.013 56.935 58.200 -0.421 0.000 0.943 196 S CB 0.985 63.979 63.200 -0.344 0.000 1.269 196 S HN 0.714 nan 8.310 nan 0.000 0.558 197 L N 1.316 122.190 121.223 -0.581 0.000 2.485 197 L HA 0.216 4.556 4.340 -0.000 0.000 0.275 197 L C 0.592 177.274 176.870 -0.313 0.000 1.207 197 L CA -0.116 54.396 54.840 -0.547 0.000 0.855 197 L CB 0.162 41.740 42.059 -0.803 0.000 1.114 197 L HN 0.655 nan 8.230 nan 0.000 0.485 198 K N 1.558 121.720 120.400 -0.397 0.000 2.319 198 K HA 0.363 4.683 4.320 -0.000 0.000 0.265 198 K C 0.783 177.325 176.600 -0.097 0.000 1.000 198 K CA 0.575 56.613 56.287 -0.415 0.000 0.943 198 K CB 0.591 32.516 32.500 -0.958 0.000 0.950 198 K HN 0.808 nan 8.250 nan 0.000 0.485 199 G N 0.719 109.510 108.800 -0.015 0.000 2.550 199 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.277 199 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.277 199 G C -0.835 174.134 174.900 0.114 0.000 1.190 199 G CA 0.421 45.611 45.100 0.150 0.000 0.971 199 G HN 0.712 nan 8.290 nan 0.000 0.559 200 Q N -0.293 119.537 119.800 0.050 0.000 2.565 200 Q HA 0.621 4.961 4.340 -0.000 0.000 0.294 200 Q C -3.280 172.325 176.000 -0.658 0.000 1.005 200 Q CA -1.757 53.872 55.803 -0.290 0.000 0.771 200 Q CB 1.629 30.254 28.738 -0.188 0.000 1.486 200 Q HN 0.397 nan 8.270 nan 0.000 0.422 201 P HA 0.106 nan 4.420 nan 0.000 0.265 201 P C 0.600 177.823 177.300 -0.128 0.000 1.187 201 P CA 2.470 65.333 63.100 -0.395 0.000 0.766 201 P CB 0.221 31.883 31.700 -0.062 0.000 0.820 202 G N 1.867 110.673 108.800 0.010 0.000 2.284 202 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.230 202 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.230 202 G C 0.256 175.199 174.900 0.071 0.000 1.021 202 G CA 0.395 45.519 45.100 0.040 0.000 0.619 202 G HN 0.705 nan 8.290 nan 0.000 0.510 203 D N 0.260 120.716 120.400 0.093 0.000 2.398 203 D HA 0.474 5.114 4.640 -0.000 0.000 0.264 203 D C 1.773 178.149 176.300 0.128 0.000 1.263 203 D CA -0.152 53.909 54.000 0.102 0.000 1.037 203 D CB 0.191 41.077 40.800 0.142 0.000 1.101 203 D HN 0.374 nan 8.370 nan 0.000 0.551 204 I N -1.114 119.434 120.570 -0.037 0.000 2.500 204 I HA -0.175 3.995 4.170 -0.000 0.000 0.252 204 I C 1.598 177.755 176.117 0.066 0.000 1.142 204 I CA 0.662 61.901 61.300 -0.101 0.000 1.451 204 I CB -0.092 37.672 38.000 -0.393 0.000 1.093 204 I HN 0.346 nan 8.210 nan 0.000 0.430 205 Y N -0.048 120.434 120.300 0.304 0.000 2.181 205 Y HA -0.296 4.254 4.550 -0.000 0.000 0.288 205 Y C 2.486 178.549 175.900 0.272 0.000 1.146 205 Y CA 1.933 60.219 58.100 0.311 0.000 1.164 205 Y CB -0.770 37.809 38.460 0.198 0.000 0.982 205 Y HN 0.250 nan 8.280 nan 0.000 0.515 206 H N -0.829 118.480 119.070 0.398 0.000 2.395 206 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 206 H C 2.089 177.691 175.328 0.457 0.000 1.070 206 H CA 1.264 57.584 56.048 0.453 0.000 1.356 206 H CB -0.069 29.956 29.762 0.439 0.000 1.401 206 H HN 0.220 nan 8.280 nan 0.000 0.524 207 Q N -0.173 119.879 119.800 0.420 0.000 2.124 207 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 207 Q C 2.059 178.253 176.000 0.322 0.000 0.977 207 Q CA 1.610 57.589 55.803 0.294 0.000 0.850 207 Q CB -0.380 28.471 28.738 0.188 0.000 0.901 207 Q HN 0.464 nan 8.270 nan 0.000 0.429 208 T N 0.302 115.089 114.554 0.387 0.000 2.812 208 T HA -0.116 4.234 4.350 -0.000 0.000 0.264 208 T C 1.225 176.213 174.700 0.481 0.000 1.042 208 T CA 0.573 62.924 62.100 0.418 0.000 1.140 208 T CB -0.328 68.842 68.868 0.503 0.000 0.870 208 T HN 0.487 nan 8.240 nan 0.000 0.445 209 W N 1.712 123.160 121.300 0.247 0.000 2.338 209 W HA -0.188 4.472 4.660 -0.000 0.000 0.304 209 W C 2.500 179.322 176.519 0.504 0.000 1.212 209 W CA 0.945 58.442 57.345 0.254 0.000 1.264 209 W CB -0.161 29.362 29.460 0.105 0.000 1.142 209 W HN 0.278 nan 8.180 nan 0.000 0.512 210 A N 0.614 123.699 122.820 0.442 0.000 1.902 210 A HA -0.224 4.095 4.320 -0.000 0.000 0.217 210 A C 2.010 179.685 177.584 0.151 0.000 1.181 210 A CA 1.643 53.771 52.037 0.152 0.000 0.623 210 A CB -1.000 18.017 19.000 0.029 0.000 0.818 210 A HN 0.364 nan 8.150 nan 0.000 0.443 211 R N -2.100 118.523 120.500 0.205 0.000 2.189 211 R HA -0.121 4.219 4.340 -0.000 0.000 0.223 211 R C 1.854 178.248 176.300 0.157 0.000 1.092 211 R CA 1.289 57.479 56.100 0.150 0.000 0.989 211 R CB -0.319 30.075 30.300 0.156 0.000 0.876 211 R HN 0.699 nan 8.270 nan 0.000 0.457 212 Y N -0.082 120.276 120.300 0.096 0.000 2.242 212 Y HA -0.196 4.354 4.550 -0.000 0.000 0.291 212 Y C 1.446 177.314 175.900 -0.053 0.000 1.137 212 Y CA 1.451 59.588 58.100 0.062 0.000 1.181 212 Y CB -0.166 38.385 38.460 0.153 0.000 0.989 212 Y HN -0.045 nan 8.280 nan 0.000 0.527 213 F N -0.832 119.077 119.950 -0.068 0.000 2.126 213 F HA -0.265 4.262 4.527 -0.000 0.000 0.299 213 F C 2.319 178.049 175.800 -0.117 0.000 1.096 213 F CA 1.681 59.603 58.000 -0.130 0.000 1.255 213 F CB -0.975 37.894 39.000 -0.219 0.000 0.997 213 F HN -0.116 nan 8.300 nan 0.000 0.479 214 V N -0.250 119.703 119.914 0.066 0.000 2.453 214 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 214 V C 2.347 178.342 176.094 -0.165 0.000 1.048 214 V CA 1.370 63.663 62.300 -0.012 0.000 1.049 214 V CB -0.483 31.370 31.823 0.050 0.000 0.672 214 V HN 0.199 nan 8.190 nan 0.000 0.457 215 K N -0.237 119.953 120.400 -0.349 0.000 2.097 215 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 215 K C 2.057 178.211 176.600 -0.743 0.000 1.049 215 K CA 1.498 57.315 56.287 -0.783 0.000 0.933 215 K CB -0.678 30.884 32.500 -1.562 0.000 0.717 215 K HN 0.502 nan 8.250 nan 0.000 0.442 216 F N 2.218 121.812 119.950 -0.593 0.000 2.069 216 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 216 F C 2.059 177.717 175.800 -0.238 0.000 1.113 216 F CA 1.351 59.201 58.000 -0.250 0.000 1.214 216 F CB -0.465 38.378 39.000 -0.262 0.000 0.978 216 F HN -0.136 nan 8.300 nan 0.000 0.474 217 L N 0.155 121.158 121.223 -0.366 0.000 2.043 217 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 217 L C 2.272 178.894 176.870 -0.412 0.000 1.075 217 L CA 1.607 56.118 54.840 -0.547 0.000 0.752 217 L CB -0.952 40.660 42.059 -0.746 0.000 0.891 217 L HN 0.173 nan 8.230 nan 0.000 0.432 218 D N 0.184 120.444 120.400 -0.233 0.000 2.092 218 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 218 D C 2.246 178.528 176.300 -0.030 0.000 0.994 218 D CA 1.652 55.641 54.000 -0.018 0.000 0.828 218 D CB -0.225 40.566 40.800 -0.015 0.000 0.963 218 D HN 0.324 nan 8.370 nan 0.000 0.450 219 A N 0.200 122.977 122.820 -0.072 0.000 1.917 219 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 219 A C 2.150 179.783 177.584 0.081 0.000 1.182 219 A CA 1.360 53.415 52.037 0.031 0.000 0.633 219 A CB -1.153 17.904 19.000 0.095 0.000 0.819 219 A HN 0.248 nan 8.150 nan 0.000 0.448 220 Y N -0.280 119.876 120.300 -0.239 0.000 2.352 220 Y HA 0.004 4.554 4.550 -0.000 0.000 0.292 220 Y C 2.788 178.700 175.900 0.020 0.000 1.136 220 Y CA 0.477 58.498 58.100 -0.133 0.000 1.227 220 Y CB -0.415 37.900 38.460 -0.241 0.000 0.991 220 Y HN 0.348 nan 8.280 nan 0.000 0.545 221 A N -0.072 122.826 122.820 0.131 0.000 1.929 221 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 221 A C 2.012 179.639 177.584 0.072 0.000 1.176 221 A CA 1.454 53.566 52.037 0.124 0.000 0.628 221 A CB -0.504 18.597 19.000 0.169 0.000 0.816 221 A HN 0.493 nan 8.150 nan 0.000 0.444 222 E N -0.408 119.812 120.200 0.032 0.000 2.171 222 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 222 E C 1.000 177.493 176.600 -0.178 0.000 0.997 222 E CA 1.255 57.609 56.400 -0.078 0.000 0.810 222 E CB -0.276 29.353 29.700 -0.119 0.000 0.738 222 E HN 0.750 nan 8.360 nan 0.000 0.467 223 H N 0.272 119.319 119.070 -0.040 0.000 2.524 223 H HA 0.162 4.718 4.556 -0.000 0.000 0.280 223 H C -0.130 175.256 175.328 0.096 0.000 1.018 223 H CA 0.192 56.238 56.048 -0.003 0.000 1.165 223 H CB 0.347 30.053 29.762 -0.092 0.000 1.411 223 H HN 0.028 nan 8.280 nan 0.000 0.569 224 K N 0.411 120.897 120.400 0.143 0.000 3.161 224 K HA -0.149 4.171 4.320 -0.000 0.000 0.270 224 K C -0.679 176.022 176.600 0.168 0.000 1.115 224 K CA 0.315 56.681 56.287 0.132 0.000 0.789 224 K CB -1.949 30.608 32.500 0.094 0.000 1.256 224 K HN 0.338 nan 8.250 nan 0.000 0.492 225 L N 1.496 122.789 121.223 0.118 0.000 2.406 225 L HA 0.291 4.631 4.340 -0.000 0.000 0.272 225 L C 0.217 177.128 176.870 0.068 0.000 0.980 225 L CA -0.804 54.061 54.840 0.042 0.000 0.831 225 L CB 1.869 43.923 42.059 -0.009 0.000 1.253 225 L HN 0.018 nan 8.230 nan 0.000 0.406 226 Q N 2.310 122.115 119.800 0.008 0.000 2.226 226 Q HA 0.551 4.891 4.340 -0.000 0.000 0.256 226 Q C -1.061 174.904 176.000 -0.059 0.000 0.962 226 Q CA -0.502 55.343 55.803 0.071 0.000 0.887 226 Q CB 2.591 31.381 28.738 0.086 0.000 1.282 226 Q HN 0.292 nan 8.270 nan 0.000 0.449 227 F N -0.120 119.870 119.950 0.067 0.000 2.470 227 F HA 0.208 4.735 4.527 0.000 0.000 0.329 227 F C 0.839 176.712 175.800 0.122 0.000 1.072 227 F CA -0.695 57.360 58.000 0.092 0.000 0.989 227 F CB 1.023 40.053 39.000 0.050 0.000 1.193 227 F HN 0.700 nan 8.300 nan 0.000 0.481 228 W N 2.701 124.074 121.300 0.122 0.000 2.525 228 W HA 0.566 5.226 4.660 0.000 0.000 0.288 228 W C -0.322 176.219 176.519 0.036 0.000 1.200 228 W CA 0.864 58.230 57.345 0.036 0.000 1.349 228 W CB -0.021 29.428 29.460 -0.019 0.000 1.102 228 W HN 0.442 nan 8.180 nan 0.000 0.558 229 A N 0.437 123.050 122.820 -0.345 0.000 2.602 229 A HA 0.647 4.967 4.320 -0.000 0.000 0.290 229 A C -1.355 176.105 177.584 -0.206 0.000 1.114 229 A CA -0.169 51.501 52.037 -0.612 0.000 0.683 229 A CB 1.038 19.210 19.000 -1.380 0.000 1.281 229 A HN 0.569 nan 8.150 nan 0.000 0.416 230 V N -1.370 118.417 119.914 -0.212 0.000 2.925 230 V HA 0.915 5.035 4.120 -0.000 0.000 0.311 230 V C -0.116 175.923 176.094 -0.092 0.000 1.104 230 V CA 0.066 62.306 62.300 -0.099 0.000 0.954 230 V CB 1.312 33.127 31.823 -0.014 0.000 1.022 230 V HN 1.660 nan 8.190 nan 0.000 0.427 231 T N 0.950 115.486 114.554 -0.030 0.000 2.922 231 T HA 0.683 5.033 4.350 -0.000 0.000 0.285 231 T C 1.308 176.028 174.700 0.033 0.000 1.005 231 T CA 0.067 62.144 62.100 -0.039 0.000 1.061 231 T CB 1.584 70.421 68.868 -0.053 0.000 1.007 231 T HN 1.737 nan 8.240 nan 0.000 0.502 232 A N 1.069 123.862 122.820 -0.046 0.000 2.024 232 A HA 0.175 4.495 4.320 -0.000 0.000 0.220 232 A C 0.917 178.560 177.584 0.098 0.000 1.164 232 A CA 1.741 53.754 52.037 -0.040 0.000 0.643 232 A CB -0.848 18.075 19.000 -0.130 0.000 0.806 232 A HN 1.076 nan 8.150 nan 0.000 0.451 233 E N -2.537 117.677 120.200 0.024 0.000 2.405 233 E HA 0.264 4.614 4.350 -0.000 0.000 0.283 233 E C -1.430 175.062 176.600 -0.181 0.000 1.140 233 E CA -0.432 55.986 56.400 0.029 0.000 0.904 233 E CB -0.025 29.699 29.700 0.041 0.000 1.209 233 E HN 0.160 nan 8.360 nan 0.000 0.428 234 N N 1.960 120.453 118.700 -0.344 0.000 2.455 234 N HA 0.262 5.002 4.740 -0.000 0.000 0.280 234 N C -0.941 174.242 175.510 -0.545 0.000 1.055 234 N CA 0.160 52.824 53.050 -0.643 0.000 0.961 234 N CB 0.611 38.202 38.487 -1.493 0.000 1.121 234 N HN 0.590 nan 8.380 nan 0.000 0.476 235 E N 1.806 121.688 120.200 -0.530 0.000 2.160 235 E HA -0.190 4.160 4.350 -0.000 0.000 0.180 235 E C -1.623 174.769 176.600 -0.347 0.000 1.452 235 E CA -0.003 56.120 56.400 -0.460 0.000 0.683 235 E CB -0.444 29.060 29.700 -0.327 0.000 1.072 235 E HN 0.675 nan 8.360 nan 0.000 0.332 236 P HA -0.275 nan 4.420 nan 0.000 0.217 236 P C 1.433 178.710 177.300 -0.038 0.000 1.148 236 P CA 1.963 65.035 63.100 -0.046 0.000 0.828 236 P CB 0.058 31.805 31.700 0.078 0.000 0.783 237 S N -0.398 115.201 115.700 -0.170 0.000 2.453 237 S HA 0.047 4.517 4.470 -0.000 0.000 0.231 237 S C 2.200 176.672 174.600 -0.213 0.000 1.005 237 S CA 0.757 58.902 58.200 -0.090 0.000 0.949 237 S CB -1.170 61.962 63.200 -0.113 0.000 0.774 237 S HN 0.136 nan 8.310 nan 0.000 0.510 238 A N 1.874 124.470 122.820 -0.373 0.000 1.940 238 A HA 0.167 4.487 4.320 -0.000 0.000 0.219 238 A C 2.293 179.508 177.584 -0.614 0.000 1.176 238 A CA 1.468 53.076 52.037 -0.715 0.000 0.631 238 A CB -1.636 16.695 19.000 -1.114 0.000 0.814 238 A HN 0.692 nan 8.150 nan 0.000 0.446 239 G N -0.814 107.775 108.800 -0.352 0.000 2.776 239 G HA2 0.146 4.106 3.960 -0.000 0.000 0.209 239 G HA3 0.146 4.106 3.960 -0.000 0.000 0.209 239 G C 1.130 175.939 174.900 -0.152 0.000 1.145 239 G CA 0.582 45.550 45.100 -0.220 0.000 0.791 239 G HN 0.468 nan 8.290 nan 0.000 0.530 240 L N -0.232 120.910 121.223 -0.135 0.000 2.592 240 L HA 0.376 4.716 4.340 -0.000 0.000 0.227 240 L C 0.278 177.107 176.870 -0.069 0.000 1.127 240 L CA -0.081 54.713 54.840 -0.076 0.000 0.884 240 L CB 0.052 42.095 42.059 -0.027 0.000 1.065 240 L HN 0.045 nan 8.230 nan 0.000 0.457 241 L N 0.195 121.367 121.223 -0.085 0.000 2.282 241 L HA 0.340 4.680 4.340 -0.000 0.000 0.288 241 L C 0.453 177.322 176.870 -0.002 0.000 1.033 241 L CA -0.504 54.311 54.840 -0.042 0.000 0.807 241 L CB 1.594 43.632 42.059 -0.036 0.000 1.209 241 L HN 0.048 nan 8.230 nan 0.000 0.423 242 S N 1.040 116.733 115.700 -0.011 0.000 2.562 242 S HA 0.393 4.863 4.470 -0.000 0.000 0.281 242 S C 1.195 175.795 174.600 -0.000 0.000 1.333 242 S CA -0.037 58.158 58.200 -0.009 0.000 1.052 242 S CB 1.149 64.337 63.200 -0.020 0.000 0.884 242 S HN 1.072 nan 8.310 nan 0.000 0.506 243 G N 0.383 109.180 108.800 -0.004 0.000 2.162 243 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 243 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 243 G C -0.152 174.718 174.900 -0.050 0.000 0.976 243 G CA 0.253 45.334 45.100 -0.031 0.000 0.655 243 G HN 0.954 nan 8.290 nan 0.000 0.533 244 Y N 2.174 122.399 120.300 -0.125 0.000 2.745 244 Y HA 0.318 4.868 4.550 -0.000 0.000 0.335 244 Y C -0.367 175.404 175.900 -0.214 0.000 1.212 244 Y CA -0.579 57.416 58.100 -0.176 0.000 1.535 244 Y CB 1.084 39.476 38.460 -0.114 0.000 1.220 244 Y HN 0.101 nan 8.280 nan 0.000 0.531 245 P HA -0.010 nan 4.420 nan 0.000 0.239 245 P C -0.547 176.447 177.300 -0.510 0.000 1.188 245 P CA 0.719 63.425 63.100 -0.655 0.000 0.794 245 P CB 0.248 31.448 31.700 -0.832 0.000 0.937 246 F N 0.022 119.771 119.950 -0.335 0.000 2.403 246 F HA 0.402 4.929 4.527 -0.000 0.000 0.326 246 F C 1.034 177.010 175.800 0.294 0.000 1.081 246 F CA -1.655 56.325 58.000 -0.034 0.000 1.041 246 F CB 0.284 39.315 39.000 0.052 0.000 1.234 246 F HN -0.367 nan 8.300 nan 0.000 0.503 247 Q N 1.135 121.293 119.800 0.598 0.000 2.310 247 Q HA 0.206 4.546 4.340 -0.000 0.000 0.315 247 Q C -0.475 175.832 176.000 0.511 0.000 1.081 247 Q CA 0.404 56.492 55.803 0.476 0.000 0.981 247 Q CB 0.286 29.258 28.738 0.389 0.000 1.184 247 Q HN 0.717 nan 8.270 nan 0.000 0.389 248 C N 0.166 119.628 119.300 0.270 0.000 3.320 248 C HA 0.860 5.320 4.460 -0.000 0.000 0.335 248 C C -1.698 173.259 174.990 -0.055 0.000 1.430 248 C CA -1.220 57.868 59.018 0.116 0.000 1.271 248 C CB 0.800 28.588 27.740 0.081 0.000 1.609 248 C HN 0.753 nan 8.230 nan 0.000 0.457 249 L N 1.838 122.984 121.223 -0.127 0.000 2.620 249 L HA 0.686 5.026 4.340 -0.000 0.000 0.261 249 L C 0.236 176.959 176.870 -0.245 0.000 0.978 249 L CA 0.371 55.059 54.840 -0.254 0.000 0.897 249 L CB 1.035 42.926 42.059 -0.281 0.000 1.207 249 L HN 1.364 nan 8.230 nan 0.000 0.425 250 G N 3.217 111.832 108.800 -0.309 0.000 2.406 250 G HA2 0.458 4.418 3.960 -0.000 0.000 0.251 250 G HA3 0.458 4.418 3.960 -0.000 0.000 0.251 250 G C -1.113 173.552 174.900 -0.391 0.000 1.271 250 G CA 0.061 45.026 45.100 -0.224 0.000 0.859 250 G HN 0.393 nan 8.290 nan 0.000 0.540 251 F N 0.412 120.321 119.950 -0.069 0.000 2.573 251 F HA 0.332 4.859 4.527 -0.000 0.000 0.316 251 F C 0.824 176.688 175.800 0.106 0.000 1.148 251 F CA -0.806 57.160 58.000 -0.057 0.000 0.940 251 F CB 2.283 41.235 39.000 -0.080 0.000 1.214 251 F HN 0.659 nan 8.300 nan 0.000 0.448 252 T N 0.543 115.241 114.554 0.240 0.000 2.898 252 T HA 0.176 4.526 4.350 -0.000 0.000 0.301 252 T C -1.664 172.877 174.700 -0.265 0.000 1.049 252 T CA -1.462 60.669 62.100 0.053 0.000 1.095 252 T CB 1.238 70.115 68.868 0.014 0.000 0.976 252 T HN 0.372 nan 8.240 nan 0.000 0.539 253 P HA -0.155 nan 4.420 nan 0.000 0.216 253 P C 1.041 177.996 177.300 -0.576 0.000 1.150 253 P CA 1.316 63.498 63.100 -1.531 0.000 0.843 253 P CB 0.119 30.669 31.700 -1.916 0.000 0.787 254 E N -1.418 118.590 120.200 -0.321 0.000 2.160 254 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 254 E C 2.221 178.836 176.600 0.025 0.000 0.991 254 E CA 1.041 57.360 56.400 -0.135 0.000 0.810 254 E CB -0.978 28.670 29.700 -0.086 0.000 0.742 254 E HN 0.561 nan 8.360 nan 0.000 0.466 255 H N -0.518 118.545 119.070 -0.013 0.000 2.415 255 H HA 0.016 4.572 4.556 -0.000 0.000 0.297 255 H C 2.168 177.674 175.328 0.296 0.000 1.048 255 H CA 0.900 57.053 56.048 0.174 0.000 1.365 255 H CB 0.363 30.251 29.762 0.210 0.000 1.421 255 H HN 0.138 nan 8.280 nan 0.000 0.533 256 Q N 1.046 120.953 119.800 0.179 0.000 2.084 256 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 256 Q C 2.571 178.587 176.000 0.027 0.000 0.978 256 Q CA 1.550 57.326 55.803 -0.045 0.000 0.844 256 Q CB -0.054 28.637 28.738 -0.079 0.000 0.898 256 Q HN 0.355 nan 8.270 nan 0.000 0.426 257 R N 0.014 120.501 120.500 -0.021 0.000 2.083 257 R HA -0.192 4.148 4.340 -0.000 0.000 0.237 257 R C 1.154 177.472 176.300 0.030 0.000 1.137 257 R CA 2.071 58.151 56.100 -0.033 0.000 0.951 257 R CB -0.201 30.049 30.300 -0.083 0.000 0.851 257 R HN 0.375 nan 8.270 nan 0.000 0.434 258 D N -0.233 120.229 120.400 0.104 0.000 2.194 258 D HA -0.126 4.514 4.640 -0.000 0.000 0.204 258 D C 1.574 177.986 176.300 0.187 0.000 0.964 258 D CA 0.725 54.795 54.000 0.118 0.000 0.846 258 D CB -0.380 40.485 40.800 0.108 0.000 0.962 258 D HN 0.200 nan 8.370 nan 0.000 0.490 259 F N 1.779 121.815 119.950 0.143 0.000 2.102 259 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 259 F C 2.068 177.861 175.800 -0.012 0.000 1.105 259 F CA 1.014 59.114 58.000 0.167 0.000 1.239 259 F CB -0.437 38.717 39.000 0.256 0.000 0.991 259 F HN -0.153 nan 8.300 nan 0.000 0.474 260 I N 0.216 120.655 120.570 -0.218 0.000 2.179 260 I HA -0.323 3.847 4.170 -0.000 0.000 0.242 260 I C 2.695 178.626 176.117 -0.310 0.000 1.088 260 I CA 1.359 62.427 61.300 -0.387 0.000 1.357 260 I CB -0.986 36.894 38.000 -0.201 0.000 1.051 260 I HN 0.242 nan 8.210 nan 0.000 0.409 261 A N 0.582 123.338 122.820 -0.106 0.000 1.902 261 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 261 A C 2.349 179.900 177.584 -0.054 0.000 1.181 261 A CA 1.375 53.408 52.037 -0.006 0.000 0.623 261 A CB -0.303 18.716 19.000 0.032 0.000 0.818 261 A HN 0.285 nan 8.150 nan 0.000 0.443 262 R N -0.924 119.534 120.500 -0.069 0.000 2.206 262 R HA 0.106 4.446 4.340 -0.000 0.000 0.198 262 R C 0.406 176.656 176.300 -0.085 0.000 0.986 262 R CA 1.136 57.212 56.100 -0.040 0.000 1.029 262 R CB -0.065 30.241 30.300 0.010 0.000 0.966 262 R HN 0.579 nan 8.270 nan 0.000 0.487 263 D N -0.353 119.935 120.400 -0.186 0.000 3.195 263 D HA -0.017 4.623 4.640 -0.000 0.000 0.245 263 D C 1.714 177.729 176.300 -0.475 0.000 1.462 263 D CA -0.155 53.720 54.000 -0.209 0.000 1.259 263 D CB -0.313 40.507 40.800 0.035 0.000 1.199 263 D HN -0.083 nan 8.370 nan 0.000 0.345 264 L N 2.030 122.716 121.223 -0.894 0.000 2.044 264 L HA 0.131 4.471 4.340 -0.000 0.000 0.205 264 L C 2.138 178.542 176.870 -0.775 0.000 1.075 264 L CA 2.209 56.463 54.840 -0.977 0.000 0.747 264 L CB -0.938 40.251 42.059 -1.450 0.000 0.903 264 L HN 0.124 nan 8.230 nan 0.000 0.435 265 G N -0.143 108.118 108.800 -0.899 0.000 2.511 265 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 265 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 265 G C -0.618 173.533 174.900 -1.248 0.000 1.218 265 G CA 0.972 45.209 45.100 -1.438 0.000 0.788 265 G HN 0.369 nan 8.290 nan 0.000 0.560 266 P HA -0.044 nan 4.420 nan 0.000 0.218 266 P C 1.963 179.129 177.300 -0.223 0.000 1.148 266 P CA 1.765 64.660 63.100 -0.342 0.000 0.822 266 P CB -0.216 31.377 31.700 -0.177 0.000 0.784 267 T N -0.373 114.025 114.554 -0.260 0.000 2.732 267 T HA -0.049 4.301 4.350 -0.000 0.000 0.261 267 T C 1.808 176.434 174.700 -0.124 0.000 1.040 267 T CA 0.902 62.909 62.100 -0.154 0.000 1.145 267 T CB -0.970 67.811 68.868 -0.145 0.000 0.866 267 T HN 0.046 nan 8.240 nan 0.000 0.427 268 L N 0.814 121.923 121.223 -0.191 0.000 2.043 268 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 268 L C 2.998 179.864 176.870 -0.006 0.000 1.075 268 L CA 1.420 56.200 54.840 -0.099 0.000 0.752 268 L CB -0.624 41.336 42.059 -0.165 0.000 0.891 268 L HN 0.284 nan 8.230 nan 0.000 0.432 269 A N -0.279 122.525 122.820 -0.026 0.000 1.968 269 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 269 A C 1.899 179.510 177.584 0.045 0.000 1.169 269 A CA 1.777 53.859 52.037 0.075 0.000 0.638 269 A CB -0.630 18.458 19.000 0.147 0.000 0.812 269 A HN 0.469 nan 8.150 nan 0.000 0.446 270 N N -0.200 118.504 118.700 0.007 0.000 2.515 270 N HA -0.009 4.731 4.740 -0.000 0.000 0.191 270 N C 0.428 175.948 175.510 0.016 0.000 1.182 270 N CA 0.716 53.766 53.050 -0.000 0.000 0.879 270 N CB -0.087 38.394 38.487 -0.011 0.000 0.984 270 N HN 0.515 nan 8.380 nan 0.000 0.453 271 S N -2.465 113.264 115.700 0.048 0.000 2.726 271 S HA 0.236 4.705 4.470 -0.000 0.000 0.308 271 S C 1.186 175.809 174.600 0.038 0.000 1.115 271 S CA -0.206 58.018 58.200 0.040 0.000 0.965 271 S CB 0.864 64.104 63.200 0.066 0.000 1.145 271 S HN 0.202 nan 8.310 nan 0.000 0.532 272 T N -1.528 112.947 114.554 -0.130 0.000 3.163 272 T HA 0.048 4.398 4.350 -0.000 0.000 0.260 272 T C 0.537 174.950 174.700 -0.478 0.000 1.156 272 T CA 0.673 62.611 62.100 -0.271 0.000 1.072 272 T CB -0.742 67.890 68.868 -0.393 0.000 0.937 272 T HN 0.761 nan 8.240 nan 0.000 0.528 273 H N 0.419 119.476 119.070 -0.022 0.000 2.528 273 H HA 0.178 4.734 4.556 -0.000 0.000 0.282 273 H C 1.520 176.778 175.328 -0.116 0.000 1.097 273 H CA 0.358 56.354 56.048 -0.086 0.000 1.121 273 H CB -0.323 29.422 29.762 -0.029 0.000 1.590 273 H HN 0.793 nan 8.280 nan 0.000 0.553 274 H N 0.028 119.117 119.070 0.031 0.000 2.520 274 H HA -0.107 4.449 4.556 -0.000 0.000 0.295 274 H C 1.054 176.391 175.328 0.015 0.000 1.096 274 H CA 1.351 57.409 56.048 0.017 0.000 1.249 274 H CB -0.081 29.683 29.762 0.003 0.000 1.365 274 H HN 0.056 nan 8.280 nan 0.000 0.556 275 N N 0.582 119.069 118.700 -0.355 0.000 2.467 275 N HA 0.025 4.765 4.740 -0.000 0.000 0.184 275 N C -0.260 175.199 175.510 -0.084 0.000 1.106 275 N CA 0.295 53.251 53.050 -0.157 0.000 0.892 275 N CB 0.337 38.713 38.487 -0.185 0.000 0.969 275 N HN 0.198 nan 8.380 nan 0.000 0.454 276 V N 2.897 122.776 119.914 -0.059 0.000 2.637 276 V HA 0.041 4.161 4.120 -0.000 0.000 0.296 276 V C 0.824 176.817 176.094 -0.169 0.000 1.046 276 V CA -0.285 61.969 62.300 -0.077 0.000 1.066 276 V CB 0.647 32.462 31.823 -0.013 0.000 0.968 276 V HN 0.098 nan 8.190 nan 0.000 0.483 277 R N 3.413 123.712 120.500 -0.335 0.000 2.490 277 R HA 0.458 4.798 4.340 -0.000 0.000 0.278 277 R C -0.544 175.571 176.300 -0.309 0.000 1.069 277 R CA -0.712 55.154 56.100 -0.389 0.000 1.080 277 R CB 0.928 30.815 30.300 -0.689 0.000 1.030 277 R HN 0.521 nan 8.270 nan 0.000 0.491 278 L N 3.110 124.224 121.223 -0.182 0.000 2.307 278 L HA 0.448 4.788 4.340 -0.000 0.000 0.284 278 L C -1.076 175.717 176.870 -0.129 0.000 1.023 278 L CA -0.263 54.476 54.840 -0.168 0.000 0.810 278 L CB 1.130 43.098 42.059 -0.152 0.000 1.231 278 L HN 0.433 nan 8.230 nan 0.000 0.423 279 L N 5.743 126.874 121.223 -0.154 0.000 2.334 279 L HA 0.595 4.935 4.340 -0.000 0.000 0.276 279 L C 0.157 176.969 176.870 -0.097 0.000 1.014 279 L CA -0.753 54.019 54.840 -0.113 0.000 0.815 279 L CB 1.788 43.769 42.059 -0.131 0.000 1.268 279 L HN 0.767 nan 8.230 nan 0.000 0.428 280 M N 1.572 121.126 119.600 -0.077 0.000 2.513 280 M HA 0.521 5.001 4.480 -0.000 0.000 0.291 280 M C 0.608 176.855 176.300 -0.089 0.000 1.190 280 M CA -0.362 54.898 55.300 -0.067 0.000 0.960 280 M CB 1.477 34.055 32.600 -0.035 0.000 1.517 280 M HN 0.472 nan 8.290 nan 0.000 0.499 281 L N 0.291 121.452 121.223 -0.104 0.000 3.370 281 L HA -0.337 4.003 4.340 -0.000 0.000 0.308 281 L C 0.577 177.183 176.870 -0.440 0.000 4.222 281 L CA 2.954 57.601 54.840 -0.323 0.000 1.163 281 L CB -2.117 39.792 42.059 -0.249 0.000 3.373 281 L HN 1.172 nan 8.230 nan 0.000 0.809 282 D N 0.748 120.960 120.400 -0.314 0.000 2.733 282 D HA -0.153 4.487 4.640 -0.000 0.000 0.228 282 D C 0.000 175.814 176.300 -0.809 0.000 1.182 282 D CA 1.491 55.264 54.000 -0.378 0.000 0.620 282 D CB -0.633 40.008 40.800 -0.265 0.000 1.027 282 D HN 0.704 nan 8.370 nan 0.000 0.415 283 D N -1.133 118.795 120.400 -0.786 0.000 2.752 283 D HA 0.226 4.865 4.640 -0.000 0.000 0.313 283 D C -0.419 175.574 176.300 -0.512 0.000 1.225 283 D CA -0.439 53.057 54.000 -0.840 0.000 0.976 283 D CB 0.699 41.040 40.800 -0.765 0.000 1.443 283 D HN 0.259 nan 8.370 nan 0.000 0.515 284 Q N 0.165 119.771 119.800 -0.323 0.000 2.421 284 Q HA 0.191 4.531 4.340 -0.000 0.000 0.255 284 Q C 1.040 176.906 176.000 -0.223 0.000 1.013 284 Q CA -0.156 55.557 55.803 -0.149 0.000 0.895 284 Q CB 1.103 29.793 28.738 -0.079 0.000 1.271 284 Q HN 0.345 nan 8.270 nan 0.000 0.460 285 R N 1.882 122.242 120.500 -0.233 0.000 2.189 285 R HA -0.079 4.261 4.340 -0.000 0.000 0.223 285 R C 1.456 177.648 176.300 -0.180 0.000 1.092 285 R CA 1.103 57.051 56.100 -0.255 0.000 0.989 285 R CB -0.593 29.468 30.300 -0.398 0.000 0.876 285 R HN 0.663 nan 8.270 nan 0.000 0.457 286 L N 1.193 122.321 121.223 -0.157 0.000 2.551 286 L HA 0.022 4.362 4.340 -0.000 0.000 0.228 286 L C 1.829 178.664 176.870 -0.059 0.000 1.153 286 L CA 0.355 55.133 54.840 -0.102 0.000 0.851 286 L CB -0.228 41.772 42.059 -0.100 0.000 0.959 286 L HN 0.100 nan 8.230 nan 0.000 0.451 287 L N -0.374 120.790 121.223 -0.099 0.000 2.622 287 L HA 0.001 4.341 4.340 -0.000 0.000 0.233 287 L C 0.560 177.498 176.870 0.112 0.000 1.156 287 L CA 0.426 55.252 54.840 -0.024 0.000 0.866 287 L CB -0.147 41.700 42.059 -0.353 0.000 0.980 287 L HN 0.196 nan 8.230 nan 0.000 0.448 288 L N 0.551 121.800 121.223 0.044 0.000 2.331 288 L HA 0.323 4.663 4.340 -0.000 0.000 0.275 288 L C -1.488 175.442 176.870 0.099 0.000 1.022 288 L CA -1.491 53.405 54.840 0.093 0.000 0.812 288 L CB 1.887 43.970 42.059 0.039 0.000 1.257 288 L HN -0.208 nan 8.230 nan 0.000 0.435 289 P HA -0.019 nan 4.420 nan 0.000 0.255 289 P C 0.876 178.304 177.300 0.214 0.000 1.248 289 P CA 0.460 63.666 63.100 0.178 0.000 0.807 289 P CB 0.175 31.976 31.700 0.168 0.000 1.150 290 H N -0.446 118.711 119.070 0.145 0.000 2.319 290 H HA -0.150 4.406 4.556 -0.000 0.000 0.299 290 H C 1.492 176.902 175.328 0.136 0.000 1.092 290 H CA 2.075 58.200 56.048 0.128 0.000 1.302 290 H CB -0.810 29.015 29.762 0.105 0.000 1.373 290 H HN -0.015 nan 8.280 nan 0.000 0.497 291 W N 0.696 121.908 121.300 -0.148 0.000 2.342 291 W HA -0.118 4.542 4.660 -0.000 0.000 0.297 291 W C 2.894 179.285 176.519 -0.213 0.000 1.213 291 W CA 2.154 59.376 57.345 -0.205 0.000 1.251 291 W CB -0.839 28.550 29.460 -0.117 0.000 1.136 291 W HN 0.390 nan 8.180 nan 0.000 0.526 292 A N 0.095 122.954 122.820 0.066 0.000 1.902 292 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 292 A C 1.997 179.432 177.584 -0.248 0.000 1.181 292 A CA 1.883 53.840 52.037 -0.134 0.000 0.623 292 A CB -0.640 18.336 19.000 -0.040 0.000 0.818 292 A HN 0.281 nan 8.150 nan 0.000 0.443 293 K N -0.417 119.977 120.400 -0.010 0.000 2.026 293 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 293 K C 1.962 178.498 176.600 -0.107 0.000 1.048 293 K CA 1.550 57.883 56.287 0.077 0.000 0.929 293 K CB -0.487 32.073 32.500 0.101 0.000 0.713 293 K HN 0.332 nan 8.250 nan 0.000 0.439 294 V N 1.127 120.879 119.914 -0.270 0.000 2.261 294 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 294 V C 2.349 178.309 176.094 -0.223 0.000 1.047 294 V CA 1.617 63.744 62.300 -0.289 0.000 1.015 294 V CB -0.376 31.169 31.823 -0.465 0.000 0.642 294 V HN 0.077 nan 8.190 nan 0.000 0.446 295 V N -0.522 119.249 119.914 -0.239 0.000 2.379 295 V HA -0.126 3.994 4.120 -0.000 0.000 0.245 295 V C 2.053 178.027 176.094 -0.199 0.000 1.044 295 V CA 1.652 63.837 62.300 -0.191 0.000 1.036 295 V CB -0.381 31.352 31.823 -0.150 0.000 0.664 295 V HN 0.435 nan 8.190 nan 0.000 0.453 296 L N 0.287 121.323 121.223 -0.312 0.000 2.529 296 L HA 0.020 4.360 4.340 -0.000 0.000 0.223 296 L C 2.387 179.156 176.870 -0.167 0.000 1.113 296 L CA 1.083 55.708 54.840 -0.359 0.000 0.861 296 L CB -0.481 41.081 42.059 -0.828 0.000 1.012 296 L HN 0.507 nan 8.230 nan 0.000 0.461 297 T N -4.528 109.986 114.554 -0.067 0.000 3.113 297 T HA -0.061 4.289 4.350 -0.000 0.000 0.256 297 T C 0.618 175.314 174.700 -0.007 0.000 1.131 297 T CA -0.084 62.040 62.100 0.040 0.000 1.074 297 T CB -0.234 68.680 68.868 0.076 0.000 0.944 297 T HN 0.044 nan 8.240 nan 0.000 0.516 298 D N 2.254 122.628 120.400 -0.044 0.000 2.347 298 D HA 0.296 4.936 4.640 -0.000 0.000 0.235 298 D C -1.913 174.362 176.300 -0.041 0.000 1.149 298 D CA -2.807 51.170 54.000 -0.039 0.000 0.850 298 D CB 1.845 42.617 40.800 -0.047 0.000 1.061 298 D HN -0.028 nan 8.370 nan 0.000 0.487 299 P HA -0.070 nan 4.420 nan 0.000 0.222 299 P C 0.952 178.215 177.300 -0.061 0.000 1.147 299 P CA 0.613 63.685 63.100 -0.046 0.000 0.790 299 P CB 0.321 31.998 31.700 -0.039 0.000 0.780 300 E N -0.771 119.406 120.200 -0.038 0.000 2.347 300 E HA -0.079 4.271 4.350 -0.000 0.000 0.196 300 E C 1.600 178.216 176.600 0.026 0.000 1.008 300 E CA 0.752 57.142 56.400 -0.017 0.000 0.852 300 E CB -0.058 29.647 29.700 0.007 0.000 0.783 300 E HN 0.134 nan 8.360 nan 0.000 0.505 301 A N 0.558 123.381 122.820 0.005 0.000 1.920 301 A HA 0.272 4.592 4.320 -0.000 0.000 0.209 301 A C 2.274 179.856 177.584 -0.005 0.000 1.229 301 A CA 0.765 52.824 52.037 0.036 0.000 0.671 301 A CB -0.345 18.646 19.000 -0.015 0.000 0.886 301 A HN 0.266 nan 8.150 nan 0.000 0.461 302 A N 1.604 124.385 122.820 -0.065 0.000 1.948 302 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 302 A C 2.040 179.560 177.584 -0.107 0.000 1.177 302 A CA 2.122 54.105 52.037 -0.090 0.000 0.636 302 A CB -0.682 18.264 19.000 -0.091 0.000 0.815 302 A HN 0.694 nan 8.150 nan 0.000 0.449 303 K N -1.813 118.479 120.400 -0.180 0.000 2.360 303 K HA -0.132 4.188 4.320 -0.000 0.000 0.201 303 K C 1.154 177.539 176.600 -0.359 0.000 1.046 303 K CA 1.654 57.768 56.287 -0.288 0.000 0.945 303 K CB -0.430 31.829 32.500 -0.402 0.000 0.750 303 K HN 0.601 nan 8.250 nan 0.000 0.464 304 Y N 0.920 121.176 120.300 -0.072 0.000 2.449 304 Y HA 0.179 4.729 4.550 -0.000 0.000 0.254 304 Y C 0.395 176.244 175.900 -0.085 0.000 1.140 304 Y CA -0.773 57.275 58.100 -0.086 0.000 1.272 304 Y CB 1.052 39.436 38.460 -0.127 0.000 1.114 304 Y HN -0.203 nan 8.280 nan 0.000 0.525 305 V N 0.705 120.644 119.914 0.040 0.000 2.406 305 V HA 0.021 4.141 4.120 -0.000 0.000 0.272 305 V C 0.516 176.623 176.094 0.022 0.000 1.043 305 V CA -0.198 62.102 62.300 -0.001 0.000 0.915 305 V CB 1.119 32.909 31.823 -0.055 0.000 0.988 305 V HN 0.322 nan 8.190 nan 0.000 0.466 306 H N 3.456 122.484 119.070 -0.069 0.000 2.582 306 H HA 0.494 5.050 4.556 -0.000 0.000 0.269 306 H C 0.594 175.905 175.328 -0.029 0.000 0.962 306 H CA 0.748 56.765 56.048 -0.051 0.000 1.230 306 H CB 0.753 30.469 29.762 -0.078 0.000 1.445 306 H HN 0.766 nan 8.280 nan 0.000 0.528 307 G N -0.401 108.317 108.800 -0.136 0.000 2.559 307 G HA2 0.425 4.385 3.960 -0.000 0.000 0.291 307 G HA3 0.425 4.385 3.960 -0.000 0.000 0.291 307 G C -1.721 173.149 174.900 -0.051 0.000 1.424 307 G CA -0.771 44.249 45.100 -0.133 0.000 0.786 307 G HN 0.126 nan 8.290 nan 0.000 0.485 308 I N 1.140 121.712 120.570 0.004 0.000 2.389 308 I HA 0.569 4.739 4.170 -0.000 0.000 0.288 308 I C 0.505 176.669 176.117 0.077 0.000 0.999 308 I CA -0.732 60.575 61.300 0.012 0.000 1.129 308 I CB 1.981 39.991 38.000 0.017 0.000 1.288 308 I HN 0.646 nan 8.210 nan 0.000 0.444 309 A N 6.623 129.475 122.820 0.053 0.000 2.301 309 A HA 0.716 5.035 4.320 -0.000 0.000 0.298 309 A C -0.348 177.243 177.584 0.011 0.000 1.185 309 A CA -0.459 51.654 52.037 0.128 0.000 0.830 309 A CB 1.010 20.094 19.000 0.140 0.000 1.112 309 A HN 0.630 nan 8.150 nan 0.000 0.508 310 V N 1.592 121.531 119.914 0.043 0.000 2.815 310 V HA 0.633 4.753 4.120 -0.000 0.000 0.314 310 V C -0.505 175.621 176.094 0.054 0.000 1.064 310 V CA -0.671 61.609 62.300 -0.033 0.000 0.952 310 V CB 1.430 33.222 31.823 -0.052 0.000 1.020 310 V HN 0.928 nan 8.190 nan 0.000 0.439 311 H N 2.341 121.280 119.070 -0.218 0.000 2.499 311 H HA 0.437 4.992 4.556 -0.000 0.000 0.340 311 H C -1.644 173.527 175.328 -0.261 0.000 1.148 311 H CA -0.491 55.394 56.048 -0.272 0.000 1.215 311 H CB 1.889 31.475 29.762 -0.293 0.000 1.529 311 H HN 0.754 nan 8.280 nan 0.000 0.510 312 W N 2.911 123.991 121.300 -0.367 0.000 2.296 312 W HA 0.236 4.896 4.660 0.000 0.000 0.316 312 W C -1.091 175.236 176.519 -0.321 0.000 1.022 312 W CA -0.547 56.647 57.345 -0.251 0.000 1.324 312 W CB 0.427 29.739 29.460 -0.247 0.000 1.227 312 W HN 0.505 nan 8.180 nan 0.000 0.409 313 Y N 4.314 124.701 120.300 0.144 0.000 2.454 313 Y HA 0.165 4.715 4.550 -0.000 0.000 0.345 313 Y C 1.309 177.311 175.900 0.170 0.000 0.970 313 Y CA -0.316 57.887 58.100 0.173 0.000 1.204 313 Y CB 0.717 39.368 38.460 0.318 0.000 1.122 313 Y HN 0.308 nan 8.280 nan 0.000 0.514 314 L N 1.926 123.253 121.223 0.173 0.000 2.456 314 L HA -0.135 4.205 4.340 -0.000 0.000 0.224 314 L C 0.988 177.865 176.870 0.012 0.000 1.148 314 L CA 0.845 55.756 54.840 0.118 0.000 0.825 314 L CB -0.026 42.026 42.059 -0.012 0.000 0.937 314 L HN 0.651 nan 8.230 nan 0.000 0.450 315 D N -0.437 119.860 120.400 -0.171 0.000 2.349 315 D HA 0.091 4.731 4.640 -0.000 0.000 0.224 315 D C 0.179 176.122 176.300 -0.594 0.000 1.029 315 D CA 0.648 54.362 54.000 -0.477 0.000 0.879 315 D CB 0.284 40.599 40.800 -0.810 0.000 0.906 315 D HN 0.165 nan 8.370 nan 0.000 0.528 316 F N 0.086 120.097 119.950 0.102 0.000 2.577 316 F HA 0.323 4.850 4.527 -0.000 0.000 0.318 316 F C -0.040 175.799 175.800 0.065 0.000 1.065 316 F CA -1.503 56.539 58.000 0.070 0.000 0.929 316 F CB 1.762 40.786 39.000 0.040 0.000 1.237 316 F HN -0.311 nan 8.300 nan 0.000 0.468 317 L N 2.534 123.919 121.223 0.270 0.000 2.357 317 L HA 0.871 5.211 4.340 -0.000 0.000 0.273 317 L C -0.736 176.180 176.870 0.078 0.000 1.080 317 L CA -0.548 54.383 54.840 0.151 0.000 0.803 317 L CB 1.206 43.344 42.059 0.131 0.000 1.174 317 L HN 0.686 nan 8.230 nan 0.000 0.443 318 A N 4.819 127.648 122.820 0.015 0.000 2.522 318 A HA 0.563 4.883 4.320 -0.000 0.000 0.290 318 A C -2.787 174.737 177.584 -0.100 0.000 1.047 318 A CA -0.829 51.164 52.037 -0.072 0.000 0.935 318 A CB 0.128 19.030 19.000 -0.162 0.000 1.451 318 A HN 0.606 nan 8.150 nan 0.000 0.398 319 P HA 0.267 nan 4.420 nan 0.000 0.263 319 P C 0.948 178.137 177.300 -0.186 0.000 1.195 319 P CA 0.559 63.602 63.100 -0.096 0.000 0.762 319 P CB 1.353 33.017 31.700 -0.060 0.000 0.799 320 A N 4.523 127.169 122.820 -0.289 0.000 1.930 320 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 320 A C 2.190 179.432 177.584 -0.569 0.000 1.175 320 A CA 1.524 53.261 52.037 -0.500 0.000 0.627 320 A CB -0.701 17.837 19.000 -0.770 0.000 0.815 320 A HN 0.598 nan 8.150 nan 0.000 0.443 321 K N -0.246 119.867 120.400 -0.479 0.000 2.097 321 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 321 K C 1.931 178.509 176.600 -0.038 0.000 1.050 321 K CA 1.133 57.311 56.287 -0.182 0.000 0.938 321 K CB -0.263 32.239 32.500 0.003 0.000 0.718 321 K HN 0.343 nan 8.250 nan 0.000 0.442 322 A N 0.381 123.168 122.820 -0.055 0.000 2.067 322 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 322 A C 1.903 179.484 177.584 -0.005 0.000 1.156 322 A CA 1.571 53.601 52.037 -0.011 0.000 0.683 322 A CB -0.416 18.575 19.000 -0.015 0.000 0.808 322 A HN 0.614 nan 8.150 nan 0.000 0.455 323 T N -2.251 112.277 114.554 -0.043 0.000 3.395 323 T HA 0.172 4.522 4.350 -0.000 0.000 0.230 323 T C 1.814 176.526 174.700 0.020 0.000 0.958 323 T CA 0.691 62.774 62.100 -0.028 0.000 1.377 323 T CB -0.767 68.044 68.868 -0.095 0.000 1.124 323 T HN 0.121 nan 8.240 nan 0.000 0.425 324 L N 1.488 122.713 121.223 0.003 0.000 2.017 324 L HA 0.140 4.480 4.340 -0.000 0.000 0.208 324 L C 3.189 180.211 176.870 0.253 0.000 1.073 324 L CA 1.595 56.513 54.840 0.129 0.000 0.745 324 L CB -1.255 40.902 42.059 0.164 0.000 0.894 324 L HN 0.579 nan 8.230 nan 0.000 0.432 325 G N -0.157 108.803 108.800 0.266 0.000 2.459 325 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.217 325 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.217 325 G C 1.501 176.550 174.900 0.249 0.000 1.183 325 G CA 1.043 46.382 45.100 0.398 0.000 0.776 325 G HN 0.344 nan 8.290 nan 0.000 0.552 326 E N 0.255 120.549 120.200 0.157 0.000 2.107 326 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 326 E C 2.629 179.287 176.600 0.098 0.000 0.982 326 E CA 1.526 57.987 56.400 0.102 0.000 0.809 326 E CB -0.573 29.171 29.700 0.074 0.000 0.756 326 E HN 0.313 nan 8.360 nan 0.000 0.459 327 T N 0.170 114.812 114.554 0.147 0.000 2.684 327 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 327 T C 1.648 176.458 174.700 0.184 0.000 1.036 327 T CA 1.527 63.748 62.100 0.202 0.000 1.148 327 T CB -0.559 68.432 68.868 0.205 0.000 0.863 327 T HN 0.393 nan 8.240 nan 0.000 0.436 328 H N 1.245 120.348 119.070 0.055 0.000 2.353 328 H HA 0.015 4.571 4.556 -0.000 0.000 0.300 328 H C 2.629 177.895 175.328 -0.103 0.000 1.090 328 H CA 1.524 57.533 56.048 -0.065 0.000 1.327 328 H CB -0.089 29.473 29.762 -0.333 0.000 1.383 328 H HN 0.227 nan 8.280 nan 0.000 0.508 329 R N 0.281 120.745 120.500 -0.060 0.000 2.091 329 R HA -0.113 4.227 4.340 -0.000 0.000 0.238 329 R C 2.618 178.762 176.300 -0.261 0.000 1.136 329 R CA 1.463 57.489 56.100 -0.122 0.000 0.959 329 R CB -0.099 30.196 30.300 -0.009 0.000 0.856 329 R HN 0.316 nan 8.270 nan 0.000 0.437 330 L N -0.762 120.253 121.223 -0.347 0.000 2.240 330 L HA 0.002 4.342 4.340 -0.000 0.000 0.211 330 L C 0.192 176.332 176.870 -1.217 0.000 1.106 330 L CA 0.741 55.118 54.840 -0.771 0.000 0.793 330 L CB 0.226 41.751 42.059 -0.890 0.000 0.927 330 L HN 0.078 nan 8.230 nan 0.000 0.446 331 F N -0.704 119.174 119.950 -0.121 0.000 2.769 331 F HA 0.299 4.825 4.527 -0.000 0.000 0.358 331 F C -1.846 173.819 175.800 -0.226 0.000 1.285 331 F CA -1.352 56.571 58.000 -0.128 0.000 1.199 331 F CB 0.690 39.647 39.000 -0.072 0.000 1.558 331 F HN -0.182 nan 8.300 nan 0.000 0.583 332 P HA 0.020 nan 4.420 nan 0.000 0.245 332 P C 0.117 177.310 177.300 -0.178 0.000 1.206 332 P CA 0.718 63.512 63.100 -0.510 0.000 0.781 332 P CB 0.420 31.806 31.700 -0.523 0.000 0.994 333 N N -0.196 118.475 118.700 -0.049 0.000 2.273 333 N HA 0.084 4.824 4.740 -0.000 0.000 0.231 333 N C -0.300 175.218 175.510 0.013 0.000 1.134 333 N CA 0.324 53.378 53.050 0.007 0.000 0.856 333 N CB 0.503 38.996 38.487 0.011 0.000 1.068 333 N HN 0.000 nan 8.380 nan 0.000 0.510 334 T N 1.936 116.506 114.554 0.027 0.000 2.833 334 T HA 0.302 4.652 4.350 -0.000 0.000 0.297 334 T C 0.378 175.089 174.700 0.018 0.000 1.015 334 T CA -0.743 61.351 62.100 -0.010 0.000 0.963 334 T CB 1.075 69.941 68.868 -0.002 0.000 0.955 334 T HN 0.117 nan 8.240 nan 0.000 0.449 335 M N 3.631 123.198 119.600 -0.055 0.000 2.248 335 M HA 0.398 4.878 4.480 -0.000 0.000 0.345 335 M C -0.888 175.478 176.300 0.110 0.000 1.243 335 M CA 0.246 55.572 55.300 0.044 0.000 1.090 335 M CB -0.342 32.265 32.600 0.012 0.000 1.683 335 M HN 0.351 nan 8.290 nan 0.000 0.450 336 L N 4.358 125.699 121.223 0.196 0.000 2.312 336 L HA 0.651 4.991 4.340 -0.000 0.000 0.281 336 L C -0.917 176.140 176.870 0.311 0.000 1.070 336 L CA -0.195 54.780 54.840 0.225 0.000 0.805 336 L CB 0.814 43.012 42.059 0.232 0.000 1.174 336 L HN 0.832 nan 8.230 nan 0.000 0.434 337 F N 2.564 122.579 119.950 0.108 0.000 2.573 337 F HA 0.644 5.171 4.527 -0.000 0.000 0.316 337 F C -0.345 175.500 175.800 0.076 0.000 1.148 337 F CA -0.750 57.314 58.000 0.107 0.000 0.940 337 F CB 1.348 40.442 39.000 0.157 0.000 1.214 337 F HN 0.441 nan 8.300 nan 0.000 0.448 338 A N 3.590 126.140 122.820 -0.451 0.000 2.350 338 A HA 0.438 4.758 4.320 -0.000 0.000 0.293 338 A C 0.599 177.751 177.584 -0.719 0.000 1.231 338 A CA 0.334 52.106 52.037 -0.441 0.000 0.883 338 A CB -0.126 18.567 19.000 -0.511 0.000 1.133 338 A HN 1.021 nan 8.150 nan 0.000 0.533 339 S N 1.225 116.764 115.700 -0.268 0.000 2.524 339 S HA 0.247 4.717 4.470 -0.000 0.000 0.215 339 S C 0.277 174.720 174.600 -0.262 0.000 0.986 339 S CA 0.286 58.440 58.200 -0.076 0.000 0.911 339 S CB 0.076 63.443 63.200 0.278 0.000 0.805 339 S HN 0.807 nan 8.310 nan 0.000 0.501 340 E N -0.251 119.626 120.200 -0.539 0.000 2.388 340 E HA 0.603 4.953 4.350 -0.000 0.000 0.289 340 E C -1.942 174.169 176.600 -0.814 0.000 0.944 340 E CA -0.531 55.402 56.400 -0.777 0.000 0.792 340 E CB 1.789 30.681 29.700 -1.348 0.000 1.239 340 E HN 0.328 nan 8.360 nan 0.000 0.412 341 A N 2.356 124.740 122.820 -0.726 0.000 2.449 341 A HA 0.858 5.178 4.320 -0.000 0.000 0.302 341 A C -0.916 176.473 177.584 -0.324 0.000 1.048 341 A CA -0.451 51.209 52.037 -0.629 0.000 0.708 341 A CB 0.892 19.329 19.000 -0.938 0.000 1.274 341 A HN 0.893 nan 8.150 nan 0.000 0.410 342 C N -0.138 119.006 119.300 -0.260 0.000 3.311 342 C HA 0.918 5.378 4.460 -0.000 0.000 0.325 342 C C -0.970 174.045 174.990 0.042 0.000 1.352 342 C CA -0.671 58.351 59.018 0.007 0.000 1.308 342 C CB 0.810 28.621 27.740 0.118 0.000 1.619 342 C HN 1.755 nan 8.230 nan 0.000 0.469 343 V N 0.692 120.691 119.914 0.141 0.000 3.114 343 V HA 0.918 5.038 4.120 -0.000 0.000 0.308 343 V C 0.538 176.688 176.094 0.094 0.000 1.168 343 V CA 0.997 63.349 62.300 0.088 0.000 1.015 343 V CB 1.914 33.792 31.823 0.091 0.000 1.050 343 V HN 2.719 nan 8.190 nan 0.000 0.433 344 G N 2.751 111.552 108.800 0.001 0.000 2.159 344 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.170 344 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.170 344 G C 0.647 175.549 174.900 0.002 0.000 1.007 344 G CA 0.758 45.843 45.100 -0.024 0.000 0.672 344 G HN 1.609 nan 8.290 nan 0.000 0.507 345 S N -0.328 115.370 115.700 -0.002 0.000 2.489 345 S HA 0.175 4.645 4.470 -0.000 0.000 0.228 345 S C 1.024 175.591 174.600 -0.055 0.000 0.995 345 S CA 0.667 58.903 58.200 0.060 0.000 0.934 345 S CB 0.163 63.368 63.200 0.009 0.000 0.771 345 S HN 0.524 nan 8.310 nan 0.000 0.522 346 K N 2.304 122.507 120.400 -0.329 0.000 2.441 346 K HA -0.071 4.249 4.320 -0.000 0.000 0.273 346 K C 0.791 177.060 176.600 -0.553 0.000 1.090 346 K CA 0.109 55.987 56.287 -0.681 0.000 1.158 346 K CB -0.152 31.499 32.500 -1.415 0.000 0.847 346 K HN 0.503 nan 8.250 nan 0.000 0.483 347 F N 2.985 122.864 119.950 -0.118 0.000 2.271 347 F HA -0.196 4.331 4.527 -0.000 0.000 0.302 347 F C 1.079 176.965 175.800 0.143 0.000 1.063 347 F CA 0.653 58.722 58.000 0.114 0.000 1.362 347 F CB -0.405 38.737 39.000 0.236 0.000 1.060 347 F HN 0.575 nan 8.300 nan 0.000 0.521 348 W N 0.959 121.974 121.300 -0.476 0.000 3.177 348 W HA 0.418 5.078 4.660 -0.000 0.000 0.309 348 W C -0.146 176.315 176.519 -0.095 0.000 1.224 348 W CA -0.508 56.663 57.345 -0.290 0.000 1.718 348 W CB -1.081 28.040 29.460 -0.565 0.000 1.078 348 W HN 0.094 nan 8.180 nan 0.000 0.618 349 E N 1.862 121.875 120.200 -0.311 0.000 2.222 349 E HA 0.197 4.547 4.350 -0.000 0.000 0.272 349 E C -0.616 175.940 176.600 -0.075 0.000 0.982 349 E CA -0.863 55.412 56.400 -0.209 0.000 0.842 349 E CB 1.213 30.647 29.700 -0.444 0.000 1.144 349 E HN -0.210 nan 8.360 nan 0.000 0.397 350 Q N 0.818 120.606 119.800 -0.019 0.000 2.300 350 Q HA 0.043 4.383 4.340 -0.000 0.000 0.280 350 Q C 0.710 176.690 176.000 -0.034 0.000 1.033 350 Q CA 0.254 56.060 55.803 0.006 0.000 0.903 350 Q CB 0.679 29.444 28.738 0.045 0.000 1.195 350 Q HN 0.422 nan 8.270 nan 0.000 0.386 351 S N 0.793 116.496 115.700 0.005 0.000 2.359 351 S HA -0.071 4.399 4.470 -0.000 0.000 0.223 351 S C 0.621 175.223 174.600 0.004 0.000 1.039 351 S CA 0.836 59.053 58.200 0.029 0.000 1.042 351 S CB 0.250 63.485 63.200 0.058 0.000 0.915 351 S HN 0.470 nan 8.310 nan 0.000 0.439 352 V N 2.235 122.138 119.914 -0.017 0.000 2.370 352 V HA 0.391 4.511 4.120 -0.000 0.000 0.283 352 V C -0.044 175.970 176.094 -0.134 0.000 1.023 352 V CA -0.437 61.831 62.300 -0.053 0.000 0.857 352 V CB 1.350 33.153 31.823 -0.033 0.000 0.985 352 V HN 0.208 nan 8.190 nan 0.000 0.443 353 R N 4.998 125.350 120.500 -0.246 0.000 2.312 353 R HA 0.470 4.810 4.340 -0.000 0.000 0.310 353 R C -0.961 175.113 176.300 -0.376 0.000 1.064 353 R CA -0.613 55.155 56.100 -0.553 0.000 0.983 353 R CB 1.219 30.959 30.300 -0.934 0.000 1.139 353 R HN 0.622 nan 8.270 nan 0.000 0.536 354 L N 2.567 123.681 121.223 -0.182 0.000 2.597 354 L HA 0.088 4.428 4.340 -0.000 0.000 0.271 354 L C 1.275 178.223 176.870 0.129 0.000 1.157 354 L CA 0.720 55.489 54.840 -0.118 0.000 0.928 354 L CB 0.551 42.290 42.059 -0.534 0.000 1.216 354 L HN 1.020 nan 8.230 nan 0.000 0.481 355 G N 2.000 110.868 108.800 0.114 0.000 2.141 355 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.231 355 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.231 355 G C 0.363 175.389 174.900 0.211 0.000 0.984 355 G CA 0.153 45.380 45.100 0.211 0.000 0.660 355 G HN 0.660 nan 8.290 nan 0.000 0.525 356 S N 0.078 115.820 115.700 0.070 0.000 2.481 356 S HA 0.222 4.692 4.470 -0.000 0.000 0.282 356 S C 1.278 175.949 174.600 0.119 0.000 1.243 356 S CA 0.534 58.764 58.200 0.049 0.000 1.078 356 S CB -0.046 63.073 63.200 -0.135 0.000 0.916 356 S HN 0.473 nan 8.310 nan 0.000 0.495 357 W N 4.598 125.898 121.300 -0.000 0.000 2.409 357 W HA -0.115 4.544 4.660 -0.000 0.000 0.299 357 W C 1.461 177.933 176.519 -0.078 0.000 1.203 357 W CA 1.606 58.939 57.345 -0.021 0.000 1.298 357 W CB -0.512 28.933 29.460 -0.025 0.000 1.127 357 W HN 0.922 nan 8.180 nan 0.000 0.528 358 D N 0.137 120.555 120.400 0.030 0.000 2.158 358 D HA -0.224 4.416 4.640 -0.000 0.000 0.197 358 D C 2.191 178.407 176.300 -0.140 0.000 0.995 358 D CA 1.783 55.756 54.000 -0.045 0.000 0.846 358 D CB -0.147 40.662 40.800 0.015 0.000 0.941 358 D HN 0.036 nan 8.370 nan 0.000 0.456 359 R N -0.609 119.816 120.500 -0.124 0.000 2.092 359 R HA 0.030 4.370 4.340 -0.000 0.000 0.231 359 R C 2.434 178.666 176.300 -0.112 0.000 1.119 359 R CA 1.099 57.153 56.100 -0.076 0.000 0.970 359 R CB -0.389 29.889 30.300 -0.036 0.000 0.864 359 R HN 0.255 nan 8.270 nan 0.000 0.440 360 G N 1.016 109.579 108.800 -0.396 0.000 2.453 360 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.215 360 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.215 360 G C 1.429 175.740 174.900 -0.983 0.000 1.201 360 G CA 0.733 45.366 45.100 -0.777 0.000 0.784 360 G HN 0.123 nan 8.290 nan 0.000 0.545 361 M N 0.080 119.035 119.600 -1.074 0.000 2.103 361 M HA -0.265 4.215 4.480 -0.000 0.000 0.255 361 M C 2.737 178.955 176.300 -0.137 0.000 1.074 361 M CA 1.887 56.921 55.300 -0.444 0.000 1.090 361 M CB -0.687 31.772 32.600 -0.235 0.000 1.325 361 M HN 0.330 nan 8.290 nan 0.000 0.403 362 Q N -0.974 118.763 119.800 -0.106 0.000 2.135 362 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 362 Q C 1.888 177.885 176.000 -0.004 0.000 0.981 362 Q CA 1.709 57.512 55.803 -0.000 0.000 0.856 362 Q CB -0.187 28.555 28.738 0.006 0.000 0.902 362 Q HN 0.535 nan 8.270 nan 0.000 0.425 363 Y N 0.463 120.676 120.300 -0.144 0.000 2.153 363 Y HA -0.228 4.322 4.550 -0.000 0.000 0.289 363 Y C 2.884 178.573 175.900 -0.351 0.000 1.127 363 Y CA 1.652 59.642 58.100 -0.184 0.000 1.131 363 Y CB -0.222 38.160 38.460 -0.130 0.000 0.995 363 Y HN 0.164 nan 8.280 nan 0.000 0.505 364 S N -1.045 114.665 115.700 0.017 0.000 2.356 364 S HA -0.300 4.170 4.470 -0.000 0.000 0.223 364 S C 1.987 176.562 174.600 -0.041 0.000 1.032 364 S CA 1.572 59.809 58.200 0.061 0.000 1.005 364 S CB -1.098 62.381 63.200 0.465 0.000 0.867 364 S HN 0.606 nan 8.310 nan 0.000 0.449 365 H N 1.586 120.619 119.070 -0.063 0.000 2.319 365 H HA -0.089 4.467 4.556 -0.000 0.000 0.297 365 H C 1.993 177.221 175.328 -0.167 0.000 1.097 365 H CA 1.880 57.898 56.048 -0.050 0.000 1.285 365 H CB -0.278 29.483 29.762 -0.002 0.000 1.368 365 H HN 0.472 nan 8.280 nan 0.000 0.495 366 S N 0.297 115.803 115.700 -0.324 0.000 2.383 366 S HA -0.072 4.398 4.470 -0.000 0.000 0.227 366 S C 2.331 176.393 174.600 -0.897 0.000 1.026 366 S CA 0.926 58.725 58.200 -0.667 0.000 0.981 366 S CB -0.079 62.684 63.200 -0.728 0.000 0.818 366 S HN 0.341 nan 8.310 nan 0.000 0.472 367 I N 1.467 121.421 120.570 -1.027 0.000 2.179 367 I HA -0.193 3.977 4.170 -0.000 0.000 0.242 367 I C 2.033 177.724 176.117 -0.710 0.000 1.088 367 I CA 1.236 61.784 61.300 -1.254 0.000 1.357 367 I CB -0.392 36.490 38.000 -1.864 0.000 1.051 367 I HN 0.250 nan 8.210 nan 0.000 0.409 368 I N 0.286 120.573 120.570 -0.472 0.000 2.226 368 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 368 I C 2.523 178.567 176.117 -0.122 0.000 1.100 368 I CA 1.635 62.850 61.300 -0.141 0.000 1.374 368 I CB -0.704 37.317 38.000 0.035 0.000 1.057 368 I HN 0.263 nan 8.210 nan 0.000 0.413 369 T N -0.183 114.265 114.554 -0.177 0.000 2.720 369 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 369 T C 2.144 176.927 174.700 0.139 0.000 1.037 369 T CA 1.707 63.809 62.100 0.004 0.000 1.144 369 T CB -0.256 68.618 68.868 0.010 0.000 0.864 369 T HN 0.244 nan 8.240 nan 0.000 0.444 370 S N 1.031 116.743 115.700 0.020 0.000 2.365 370 S HA -0.006 4.464 4.470 -0.000 0.000 0.225 370 S C 1.910 176.557 174.600 0.079 0.000 1.039 370 S CA 1.000 59.277 58.200 0.128 0.000 1.033 370 S CB -0.456 62.746 63.200 0.002 0.000 0.887 370 S HN 0.397 nan 8.310 nan 0.000 0.447 371 L N 0.667 121.876 121.223 -0.023 0.000 2.362 371 L HA 0.048 4.387 4.340 -0.000 0.000 0.219 371 L C 1.758 178.528 176.870 -0.167 0.000 1.134 371 L CA 0.615 55.427 54.840 -0.047 0.000 0.807 371 L CB -0.226 41.829 42.059 -0.007 0.000 0.927 371 L HN 0.301 nan 8.230 nan 0.000 0.447 372 L N -2.006 119.101 121.223 -0.194 0.000 2.513 372 L HA -0.001 4.339 4.340 -0.000 0.000 0.222 372 L C 0.456 176.893 176.870 -0.723 0.000 1.096 372 L CA 0.251 54.830 54.840 -0.434 0.000 0.857 372 L CB 0.306 42.190 42.059 -0.291 0.000 1.026 372 L HN 0.204 nan 8.230 nan 0.000 0.469 373 Y N -0.531 119.633 120.300 -0.228 0.000 2.781 373 Y HA 0.253 4.803 4.550 -0.000 0.000 0.326 373 Y C 0.439 176.294 175.900 -0.076 0.000 1.019 373 Y CA -0.701 57.290 58.100 -0.181 0.000 1.372 373 Y CB -0.452 38.032 38.460 0.041 0.000 1.260 373 Y HN 0.144 nan 8.280 nan 0.000 0.546 374 H N -2.945 116.083 119.070 -0.071 0.000 3.642 374 H HA -0.156 4.400 4.556 -0.000 0.000 0.185 374 H C 0.105 175.465 175.328 0.055 0.000 0.992 374 H CA 0.634 56.637 56.048 -0.075 0.000 1.216 374 H CB -1.579 28.042 29.762 -0.234 0.000 1.055 374 H HN 0.114 nan 8.280 nan 0.000 0.351 375 V N 2.551 122.565 119.914 0.168 0.000 2.637 375 V HA 0.069 4.189 4.120 -0.000 0.000 0.296 375 V C 1.949 178.115 176.094 0.120 0.000 1.046 375 V CA 0.712 63.116 62.300 0.174 0.000 1.066 375 V CB 1.604 33.538 31.823 0.185 0.000 0.968 375 V HN 0.325 nan 8.190 nan 0.000 0.483 376 V N 1.325 121.332 119.914 0.154 0.000 3.660 376 V HA 0.664 4.784 4.120 -0.000 0.000 0.276 376 V C 0.665 176.786 176.094 0.044 0.000 1.317 376 V CA 0.909 63.287 62.300 0.131 0.000 1.097 376 V CB -0.033 31.911 31.823 0.201 0.000 0.863 376 V HN 0.953 nan 8.190 nan 0.000 0.438 377 G N -1.449 107.330 108.800 -0.034 0.000 2.660 377 G HA2 0.499 4.459 3.960 -0.000 0.000 0.290 377 G HA3 0.499 4.459 3.960 -0.000 0.000 0.290 377 G C -2.670 171.858 174.900 -0.619 0.000 1.432 377 G CA -0.700 44.189 45.100 -0.351 0.000 0.807 377 G HN 0.257 nan 8.290 nan 0.000 0.485 378 W N 0.798 121.555 121.300 -0.905 0.000 3.132 378 W HA 0.580 5.240 4.660 -0.000 0.000 0.337 378 W C -0.742 175.508 176.519 -0.447 0.000 1.082 378 W CA -0.346 56.611 57.345 -0.647 0.000 1.242 378 W CB 2.327 31.545 29.460 -0.403 0.000 1.354 378 W HN 0.532 nan 8.180 nan 0.000 0.461 379 T N 4.183 118.440 114.554 -0.495 0.000 2.791 379 T HA 0.138 4.488 4.350 -0.000 0.000 0.288 379 T C -0.489 174.001 174.700 -0.350 0.000 0.999 379 T CA -0.410 61.529 62.100 -0.268 0.000 0.952 379 T CB 1.159 69.937 68.868 -0.150 0.000 0.938 379 T HN 0.360 nan 8.240 nan 0.000 0.444 380 D N 1.433 121.793 120.400 -0.067 0.000 2.371 380 D HA 0.158 4.798 4.640 -0.000 0.000 0.242 380 D C 0.292 176.674 176.300 0.137 0.000 1.218 380 D CA -0.482 53.562 54.000 0.073 0.000 0.945 380 D CB 0.833 41.849 40.800 0.359 0.000 1.137 380 D HN 0.548 nan 8.370 nan 0.000 0.464 381 W N 0.828 122.081 121.300 -0.078 0.000 1.836 381 W HA 0.169 4.829 4.660 -0.000 0.000 0.628 381 W C 0.199 176.658 176.519 -0.101 0.000 1.626 381 W CA -0.830 56.448 57.345 -0.112 0.000 1.714 381 W CB 0.171 29.544 29.460 -0.145 0.000 3.166 381 W HN 0.227 nan 8.180 nan 0.000 0.772 382 N N 2.924 121.247 118.700 -0.628 0.000 2.034 382 N HA -0.178 4.562 4.740 -0.000 0.000 0.293 382 N C 0.931 176.296 175.510 -0.241 0.000 1.336 382 N CA 0.757 53.412 53.050 -0.657 0.000 0.819 382 N CB 0.441 38.359 38.487 -0.948 0.000 1.071 382 N HN 0.353 nan 8.380 nan 0.000 0.495 383 L N 1.154 122.281 121.223 -0.161 0.000 2.129 383 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 383 L C 1.076 177.999 176.870 0.090 0.000 1.087 383 L CA 1.100 55.911 54.840 -0.048 0.000 0.757 383 L CB -0.186 41.821 42.059 -0.087 0.000 0.896 383 L HN 0.642 nan 8.230 nan 0.000 0.434 384 A N -0.920 121.880 122.820 -0.033 0.000 2.577 384 A HA 0.723 5.043 4.320 -0.000 0.000 0.297 384 A C -1.249 176.284 177.584 -0.085 0.000 1.060 384 A CA -0.504 51.523 52.037 -0.016 0.000 0.697 384 A CB 1.268 20.262 19.000 -0.009 0.000 1.281 384 A HN -0.019 nan 8.150 nan 0.000 0.402 385 L N 1.257 122.452 121.223 -0.047 0.000 2.359 385 L HA 0.496 4.836 4.340 -0.000 0.000 0.256 385 L C -0.031 176.849 176.870 0.015 0.000 1.026 385 L CA -1.214 53.607 54.840 -0.032 0.000 0.828 385 L CB 2.359 44.396 42.059 -0.037 0.000 1.406 385 L HN 1.012 nan 8.230 nan 0.000 0.413 386 N N 0.167 118.888 118.700 0.035 0.000 2.364 386 N HA 0.275 5.015 4.740 -0.000 0.000 0.264 386 N C -2.413 173.126 175.510 0.048 0.000 1.263 386 N CA -1.562 51.515 53.050 0.045 0.000 0.959 386 N CB -0.110 38.404 38.487 0.045 0.000 1.204 386 N HN 0.177 nan 8.380 nan 0.000 0.550 387 P HA 0.040 nan 4.420 nan 0.000 0.237 387 P C 0.131 177.444 177.300 0.021 0.000 1.178 387 P CA 0.856 63.975 63.100 0.031 0.000 0.766 387 P CB 0.197 31.918 31.700 0.035 0.000 0.876 388 E N -1.130 119.089 120.200 0.031 0.000 2.474 388 E HA 0.183 4.533 4.350 -0.000 0.000 0.194 388 E C 1.347 177.966 176.600 0.033 0.000 1.041 388 E CA 0.534 56.949 56.400 0.025 0.000 0.874 388 E CB -0.468 29.244 29.700 0.020 0.000 0.914 388 E HN 0.175 nan 8.360 nan 0.000 0.498 389 G N 0.796 109.628 108.800 0.054 0.000 2.164 389 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.212 389 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.212 389 G C 0.399 175.403 174.900 0.174 0.000 1.031 389 G CA 0.009 45.169 45.100 0.100 0.000 0.730 389 G HN 0.577 nan 8.290 nan 0.000 0.501 390 G N -0.764 108.113 108.800 0.128 0.000 3.211 390 G HA2 0.897 4.857 3.960 -0.000 0.000 0.262 390 G HA3 0.897 4.857 3.960 -0.000 0.000 0.262 390 G C -2.991 171.991 174.900 0.136 0.000 1.352 390 G CA -0.846 44.344 45.100 0.151 0.000 1.004 390 G HN 0.225 nan 8.290 nan 0.000 0.559 391 P HA 0.204 nan 4.420 nan 0.000 0.284 391 P C -1.180 176.157 177.300 0.063 0.000 1.253 391 P CA -0.383 62.768 63.100 0.084 0.000 0.800 391 P CB 1.533 33.277 31.700 0.074 0.000 0.961 392 N N 3.024 121.682 118.700 -0.071 0.000 2.430 392 N HA 0.090 4.830 4.740 -0.000 0.000 0.290 392 N C 0.736 176.159 175.510 -0.145 0.000 1.063 392 N CA -0.662 52.207 53.050 -0.303 0.000 0.883 392 N CB 1.265 39.342 38.487 -0.684 0.000 1.465 392 N HN 0.539 nan 8.380 nan 0.000 0.493 393 W N 4.344 125.545 121.300 -0.164 0.000 2.937 393 W HA 0.127 4.787 4.660 -0.000 0.000 0.245 393 W C -0.426 176.066 176.519 -0.044 0.000 1.306 393 W CA 0.026 57.326 57.345 -0.076 0.000 1.470 393 W CB -0.489 28.946 29.460 -0.042 0.000 1.132 393 W HN 0.193 nan 8.180 nan 0.000 0.675 394 V N 0.944 120.427 119.914 -0.718 0.000 2.602 394 V HA 0.266 4.386 4.120 -0.000 0.000 0.235 394 V C 0.453 176.363 176.094 -0.307 0.000 1.087 394 V CA 1.022 62.958 62.300 -0.607 0.000 1.117 394 V CB -0.366 31.146 31.823 -0.519 0.000 0.820 394 V HN 0.031 nan 8.190 nan 0.000 0.490 395 R N 0.088 120.406 120.500 -0.305 0.000 2.858 395 R HA 0.248 4.588 4.340 -0.000 0.000 0.252 395 R C -1.929 174.067 176.300 -0.506 0.000 1.063 395 R CA -0.557 55.294 56.100 -0.414 0.000 0.955 395 R CB 0.891 30.856 30.300 -0.559 0.000 1.259 395 R HN 0.257 nan 8.270 nan 0.000 0.477 396 N N 3.293 121.716 118.700 -0.461 0.000 2.401 396 N HA 0.223 4.963 4.740 -0.000 0.000 0.255 396 N C -0.605 174.758 175.510 -0.245 0.000 1.110 396 N CA 0.138 53.037 53.050 -0.251 0.000 0.949 396 N CB 0.334 38.745 38.487 -0.126 0.000 1.110 396 N HN 0.417 nan 8.380 nan 0.000 0.490 397 F N 0.188 120.223 119.950 0.141 0.000 2.789 397 F HA 0.181 4.708 4.527 -0.000 0.000 0.320 397 F C 0.511 176.411 175.800 0.166 0.000 1.079 397 F CA -0.263 57.828 58.000 0.151 0.000 1.205 397 F CB 0.510 39.621 39.000 0.187 0.000 1.046 397 F HN 0.202 nan 8.300 nan 0.000 0.586 398 V N -3.375 116.781 119.914 0.404 0.000 3.130 398 V HA 0.572 4.692 4.120 -0.000 0.000 0.310 398 V C -0.633 175.576 176.094 0.191 0.000 1.158 398 V CA -1.004 61.479 62.300 0.305 0.000 1.029 398 V CB 2.121 34.175 31.823 0.386 0.000 1.057 398 V HN -0.213 nan 8.190 nan 0.000 0.436 399 D N 0.514 120.998 120.400 0.139 0.000 2.411 399 D HA 0.641 5.281 4.640 -0.000 0.000 0.251 399 D C -0.382 175.962 176.300 0.074 0.000 1.201 399 D CA 0.242 54.292 54.000 0.084 0.000 0.996 399 D CB 1.997 42.831 40.800 0.056 0.000 1.101 399 D HN 0.925 nan 8.370 nan 0.000 0.504 400 S N -0.905 114.818 115.700 0.039 0.000 2.564 400 S HA 0.472 4.942 4.470 -0.000 0.000 0.274 400 S C -2.262 172.368 174.600 0.051 0.000 1.124 400 S CA -1.275 56.946 58.200 0.034 0.000 0.869 400 S CB 1.771 64.955 63.200 -0.026 0.000 1.105 400 S HN 0.084 nan 8.310 nan 0.000 0.472 401 P HA 0.197 nan 4.420 nan 0.000 0.220 401 P C -0.402 176.972 177.300 0.123 0.000 1.148 401 P CA 1.017 64.186 63.100 0.114 0.000 0.803 401 P CB 0.097 31.928 31.700 0.220 0.000 0.782 402 I N -0.473 120.164 120.570 0.112 0.000 2.498 402 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 402 I C -0.683 175.478 176.117 0.073 0.000 1.032 402 I CA -0.954 60.382 61.300 0.060 0.000 1.073 402 I CB 2.432 40.419 38.000 -0.020 0.000 1.251 402 I HN -0.322 nan 8.210 nan 0.000 0.426 403 I N 6.749 127.388 120.570 0.116 0.000 2.418 403 I HA 0.369 4.539 4.170 -0.000 0.000 0.287 403 I C -0.143 176.043 176.117 0.115 0.000 1.008 403 I CA -0.760 60.612 61.300 0.119 0.000 1.104 403 I CB 1.784 39.879 38.000 0.159 0.000 1.264 403 I HN 0.103 nan 8.210 nan 0.000 0.438 404 V N 5.309 125.258 119.914 0.058 0.000 2.439 404 V HA 0.304 4.424 4.120 -0.000 0.000 0.282 404 V C -0.037 176.074 176.094 0.028 0.000 1.039 404 V CA -0.427 61.887 62.300 0.024 0.000 0.913 404 V CB 1.913 33.734 31.823 -0.004 0.000 0.983 404 V HN 0.623 nan 8.190 nan 0.000 0.460 405 D N 3.940 124.330 120.400 -0.017 0.000 2.458 405 D HA 0.229 4.869 4.640 -0.000 0.000 0.258 405 D C 0.897 177.211 176.300 0.022 0.000 1.134 405 D CA -0.349 53.672 54.000 0.034 0.000 0.915 405 D CB 1.133 41.973 40.800 0.067 0.000 1.028 405 D HN 0.526 nan 8.370 nan 0.000 0.508 406 I N 2.554 123.142 120.570 0.030 0.000 2.194 406 I HA -0.290 3.880 4.170 -0.000 0.000 0.246 406 I C 1.961 178.094 176.117 0.028 0.000 1.093 406 I CA 1.924 63.239 61.300 0.025 0.000 1.355 406 I CB 0.140 38.154 38.000 0.024 0.000 1.046 406 I HN 0.388 nan 8.210 nan 0.000 0.413 407 T N -2.068 112.508 114.554 0.037 0.000 3.051 407 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 407 T C 1.369 176.091 174.700 0.037 0.000 1.127 407 T CA 0.964 63.087 62.100 0.037 0.000 1.107 407 T CB -0.294 68.601 68.868 0.044 0.000 0.898 407 T HN 0.484 nan 8.240 nan 0.000 0.517 408 K N 0.648 121.070 120.400 0.037 0.000 2.438 408 K HA 0.162 4.482 4.320 -0.000 0.000 0.205 408 K C 0.191 176.797 176.600 0.010 0.000 1.033 408 K CA 0.177 56.483 56.287 0.031 0.000 1.089 408 K CB 0.348 32.881 32.500 0.055 0.000 0.857 408 K HN 0.168 nan 8.250 nan 0.000 0.522 409 D N 2.848 123.256 120.400 0.013 0.000 2.739 409 D HA -0.172 4.468 4.640 -0.000 0.000 0.230 409 D C -0.523 175.784 176.300 0.010 0.000 1.167 409 D CA 1.410 55.421 54.000 0.019 0.000 0.640 409 D CB -0.715 40.099 40.800 0.024 0.000 1.045 409 D HN 0.466 nan 8.370 nan 0.000 0.421 410 T N -1.932 112.594 114.554 -0.046 0.000 2.930 410 T HA 0.734 5.084 4.350 -0.000 0.000 0.290 410 T C -0.186 174.392 174.700 -0.204 0.000 1.052 410 T CA -0.877 61.128 62.100 -0.158 0.000 1.017 410 T CB 1.571 70.284 68.868 -0.257 0.000 1.137 410 T HN 0.344 nan 8.240 nan 0.000 0.511 411 F N -0.465 119.223 119.950 -0.437 0.000 2.576 411 F HA 0.784 5.311 4.527 -0.000 0.000 0.313 411 F C -1.869 173.610 175.800 -0.535 0.000 1.078 411 F CA -1.785 55.914 58.000 -0.501 0.000 0.921 411 F CB 1.217 40.064 39.000 -0.255 0.000 1.232 411 F HN 0.587 nan 8.300 nan 0.000 0.459 412 Y N 1.191 121.552 120.300 0.101 0.000 2.331 412 Y HA 0.484 5.033 4.550 -0.000 0.000 0.338 412 Y C -0.309 175.605 175.900 0.024 0.000 0.992 412 Y CA -1.077 57.032 58.100 0.015 0.000 1.121 412 Y CB 1.704 40.179 38.460 0.024 0.000 1.184 412 Y HN 0.440 nan 8.280 nan 0.000 0.469 413 K N 4.431 124.892 120.400 0.101 0.000 2.267 413 K HA 0.205 4.525 4.320 -0.000 0.000 0.282 413 K C -0.320 176.402 176.600 0.203 0.000 1.078 413 K CA -0.553 55.712 56.287 -0.036 0.000 0.903 413 K CB 0.756 33.043 32.500 -0.354 0.000 1.111 413 K HN 0.623 nan 8.250 nan 0.000 0.475 414 Q N 2.659 122.576 119.800 0.195 0.000 2.417 414 Q HA 0.043 4.383 4.340 -0.000 0.000 0.241 414 Q C -1.682 174.548 176.000 0.383 0.000 1.008 414 Q CA -1.697 54.248 55.803 0.237 0.000 0.901 414 Q CB 0.320 29.133 28.738 0.125 0.000 1.259 414 Q HN 0.281 nan 8.270 nan 0.000 0.489 415 P HA -0.249 nan 4.420 nan 0.000 0.218 415 P C 1.276 178.752 177.300 0.294 0.000 1.152 415 P CA 1.747 65.076 63.100 0.382 0.000 0.857 415 P CB 0.045 31.872 31.700 0.211 0.000 0.787 416 M N -2.704 116.941 119.600 0.075 0.000 2.088 416 M HA -0.235 4.245 4.480 -0.000 0.000 0.256 416 M C 2.059 178.338 176.300 -0.035 0.000 1.071 416 M CA 2.025 57.241 55.300 -0.140 0.000 1.097 416 M CB -0.954 31.438 32.600 -0.347 0.000 1.315 416 M HN -0.086 nan 8.290 nan 0.000 0.406 417 F N 0.108 120.007 119.950 -0.085 0.000 2.091 417 F HA -0.305 4.221 4.527 -0.000 0.000 0.299 417 F C 1.893 177.554 175.800 -0.231 0.000 1.103 417 F CA 1.779 59.663 58.000 -0.193 0.000 1.228 417 F CB -0.497 38.297 39.000 -0.344 0.000 0.984 417 F HN 0.052 nan 8.300 nan 0.000 0.477 418 Y N -0.421 120.047 120.300 0.279 0.000 2.242 418 Y HA -0.225 4.325 4.550 -0.000 0.000 0.291 418 Y C 2.811 178.789 175.900 0.130 0.000 1.137 418 Y CA 1.853 60.072 58.100 0.199 0.000 1.181 418 Y CB -1.133 37.527 38.460 0.334 0.000 0.989 418 Y HN 0.195 nan 8.280 nan 0.000 0.527 419 H N -0.361 118.805 119.070 0.161 0.000 2.321 419 H HA -0.150 4.406 4.556 -0.000 0.000 0.300 419 H C 2.291 177.693 175.328 0.122 0.000 1.087 419 H CA 1.823 57.924 56.048 0.088 0.000 1.319 419 H CB -0.382 29.342 29.762 -0.063 0.000 1.379 419 H HN 0.332 nan 8.280 nan 0.000 0.501 420 L N -0.091 121.174 121.223 0.069 0.000 2.012 420 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 420 L C 2.934 179.763 176.870 -0.068 0.000 1.073 420 L CA 1.288 56.131 54.840 0.005 0.000 0.748 420 L CB -0.711 41.349 42.059 0.002 0.000 0.891 420 L HN 0.300 nan 8.230 nan 0.000 0.431 421 G N -1.672 106.972 108.800 -0.261 0.000 2.440 421 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 421 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 421 G C 1.366 176.046 174.900 -0.367 0.000 1.154 421 G CA 0.605 45.449 45.100 -0.427 0.000 0.767 421 G HN 0.436 nan 8.290 nan 0.000 0.552 422 H N -0.567 118.390 119.070 -0.188 0.000 2.466 422 H HA -0.105 4.450 4.556 -0.000 0.000 0.297 422 H C 2.083 177.172 175.328 -0.399 0.000 1.113 422 H CA 1.566 57.497 56.048 -0.195 0.000 1.273 422 H CB -0.029 29.565 29.762 -0.281 0.000 1.371 422 H HN 0.501 nan 8.280 nan 0.000 0.528 423 F N -0.264 119.543 119.950 -0.238 0.000 2.390 423 F HA -0.068 4.459 4.527 0.000 0.000 0.281 423 F C 2.879 178.195 175.800 -0.805 0.000 1.016 423 F CA 0.718 58.413 58.000 -0.508 0.000 1.286 423 F CB -0.602 37.947 39.000 -0.752 0.000 1.134 423 F HN 0.014 nan 8.300 nan 0.000 0.597 424 S N 0.426 115.705 115.700 -0.702 0.000 2.399 424 S HA -0.240 4.230 4.470 -0.000 0.000 0.231 424 S C 1.943 176.285 174.600 -0.431 0.000 1.022 424 S CA 1.464 59.285 58.200 -0.631 0.000 0.983 424 S CB -0.571 62.518 63.200 -0.185 0.000 0.803 424 S HN 0.417 nan 8.310 nan 0.000 0.480 425 K N -0.071 119.929 120.400 -0.665 0.000 2.305 425 K HA 0.141 4.461 4.320 -0.000 0.000 0.199 425 K C 0.464 176.533 176.600 -0.884 0.000 1.047 425 K CA 0.743 56.468 56.287 -0.936 0.000 0.976 425 K CB -0.053 31.511 32.500 -1.559 0.000 0.765 425 K HN 0.565 nan 8.250 nan 0.000 0.474 426 F N 0.212 120.000 119.950 -0.270 0.000 2.688 426 F HA 0.334 4.861 4.527 -0.000 0.000 0.310 426 F C 0.044 175.836 175.800 -0.013 0.000 1.098 426 F CA -0.625 57.294 58.000 -0.134 0.000 1.228 426 F CB 0.909 39.803 39.000 -0.176 0.000 1.042 426 F HN -0.191 nan 8.300 nan 0.000 0.557 427 I N 3.202 123.794 120.570 0.037 0.000 2.595 427 I HA 0.263 4.433 4.170 -0.000 0.000 0.275 427 I C -2.481 173.659 176.117 0.039 0.000 1.092 427 I CA -1.986 59.358 61.300 0.073 0.000 1.145 427 I CB 0.830 38.969 38.000 0.232 0.000 1.276 427 I HN -0.226 nan 8.210 nan 0.000 0.497 428 P HA 0.081 nan 4.420 nan 0.000 0.274 428 P C -0.200 177.083 177.300 -0.027 0.000 1.256 428 P CA -0.289 62.763 63.100 -0.080 0.000 0.795 428 P CB 0.853 32.456 31.700 -0.161 0.000 1.038 429 E N -0.338 119.851 120.200 -0.018 0.000 2.413 429 E HA 0.221 4.571 4.350 -0.000 0.000 0.263 429 E C 1.033 177.618 176.600 -0.025 0.000 1.015 429 E CA 0.785 57.168 56.400 -0.029 0.000 0.916 429 E CB -0.494 29.169 29.700 -0.060 0.000 0.947 429 E HN 0.761 nan 8.360 nan 0.000 0.440 430 G N 2.769 111.565 108.800 -0.007 0.000 2.258 430 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.233 430 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.233 430 G C 0.323 175.236 174.900 0.022 0.000 1.006 430 G CA 0.156 45.261 45.100 0.008 0.000 0.620 430 G HN 0.615 nan 8.290 nan 0.000 0.511 431 S N 0.425 116.135 115.700 0.018 0.000 2.559 431 S HA 0.417 4.887 4.470 -0.000 0.000 0.282 431 S C 0.200 174.849 174.600 0.080 0.000 1.336 431 S CA 0.818 59.049 58.200 0.051 0.000 1.037 431 S CB 1.349 64.587 63.200 0.063 0.000 0.853 431 S HN 0.717 nan 8.310 nan 0.000 0.523 432 Q N 1.635 121.491 119.800 0.094 0.000 2.304 432 Q HA 0.326 4.666 4.340 -0.000 0.000 0.270 432 Q C -0.650 175.424 176.000 0.123 0.000 1.035 432 Q CA -0.736 55.128 55.803 0.102 0.000 0.781 432 Q CB 1.167 29.952 28.738 0.079 0.000 1.261 432 Q HN 0.614 nan 8.270 nan 0.000 0.444 433 R N 2.326 122.921 120.500 0.158 0.000 2.590 433 R HA 0.321 4.661 4.340 -0.000 0.000 0.274 433 R C -0.475 175.995 176.300 0.283 0.000 1.061 433 R CA 0.244 56.456 56.100 0.188 0.000 1.081 433 R CB 0.511 30.907 30.300 0.161 0.000 0.984 433 R HN 0.516 nan 8.270 nan 0.000 0.448 434 V N 0.327 120.394 119.914 0.255 0.000 3.167 434 V HA 0.694 4.814 4.120 -0.000 0.000 0.310 434 V C 0.225 176.503 176.094 0.307 0.000 1.207 434 V CA -0.832 61.619 62.300 0.251 0.000 1.059 434 V CB 1.381 33.263 31.823 0.098 0.000 1.079 434 V HN 0.841 nan 8.190 nan 0.000 0.446 435 G N 0.422 109.390 108.800 0.281 0.000 2.432 435 G HA2 0.485 4.445 3.960 -0.000 0.000 0.239 435 G HA3 0.485 4.445 3.960 -0.000 0.000 0.239 435 G C -0.994 173.982 174.900 0.126 0.000 1.291 435 G CA 0.055 45.307 45.100 0.253 0.000 0.863 435 G HN 1.272 nan 8.290 nan 0.000 0.560 436 L N 2.938 124.212 121.223 0.086 0.000 2.491 436 L HA 0.490 4.830 4.340 -0.000 0.000 0.267 436 L C -0.665 176.229 176.870 0.041 0.000 0.971 436 L CA -0.583 54.291 54.840 0.056 0.000 0.857 436 L CB 2.218 44.305 42.059 0.046 0.000 1.226 436 L HN 0.315 nan 8.230 nan 0.000 0.408 437 V N 4.789 124.726 119.914 0.039 0.000 2.383 437 V HA 0.726 4.846 4.120 -0.000 0.000 0.275 437 V C 0.700 176.812 176.094 0.030 0.000 1.036 437 V CA -0.326 61.995 62.300 0.035 0.000 0.889 437 V CB 1.329 33.176 31.823 0.040 0.000 0.985 437 V HN 0.931 nan 8.190 nan 0.000 0.459 438 A N 3.812 126.649 122.820 0.029 0.000 2.409 438 A HA 0.414 4.734 4.320 -0.000 0.000 0.262 438 A C 1.410 179.015 177.584 0.035 0.000 1.113 438 A CA 0.336 52.391 52.037 0.030 0.000 0.790 438 A CB 0.454 19.472 19.000 0.029 0.000 1.046 438 A HN 1.147 nan 8.150 nan 0.000 0.496 439 S N 1.483 117.206 115.700 0.039 0.000 2.428 439 S HA 0.008 4.478 4.470 -0.000 0.000 0.230 439 S C 0.623 175.246 174.600 0.038 0.000 1.014 439 S CA 0.981 59.208 58.200 0.045 0.000 0.957 439 S CB -0.370 62.866 63.200 0.059 0.000 0.784 439 S HN 0.999 nan 8.310 nan 0.000 0.499 440 Q N -0.287 119.533 119.800 0.034 0.000 2.575 440 Q HA 0.413 4.753 4.340 -0.000 0.000 0.290 440 Q C -1.415 174.603 176.000 0.029 0.000 0.963 440 Q CA -1.221 54.600 55.803 0.030 0.000 0.783 440 Q CB 0.988 29.742 28.738 0.027 0.000 1.467 440 Q HN 0.113 nan 8.270 nan 0.000 0.402 441 K N 1.337 121.754 120.400 0.029 0.000 2.489 441 K HA 0.060 4.380 4.320 -0.000 0.000 0.278 441 K C -0.924 175.693 176.600 0.028 0.000 1.000 441 K CA 0.872 57.178 56.287 0.031 0.000 1.012 441 K CB 0.170 32.688 32.500 0.030 0.000 0.903 441 K HN 0.796 nan 8.250 nan 0.000 0.485 442 N N 1.194 119.913 118.700 0.032 0.000 2.853 442 N HA 0.203 4.943 4.740 -0.000 0.000 0.258 442 N C -1.027 174.502 175.510 0.033 0.000 1.444 442 N CA -0.838 52.229 53.050 0.028 0.000 0.837 442 N CB 1.145 39.647 38.487 0.026 0.000 1.489 442 N HN 0.323 nan 8.380 nan 0.000 0.529 443 D N -0.491 119.924 120.400 0.025 0.000 2.349 443 D HA 0.224 4.864 4.640 -0.000 0.000 0.214 443 D C 0.035 176.358 176.300 0.039 0.000 1.063 443 D CA 0.154 54.170 54.000 0.028 0.000 0.847 443 D CB 0.193 40.999 40.800 0.009 0.000 0.933 443 D HN 0.375 nan 8.370 nan 0.000 0.513 444 L N 0.783 122.030 121.223 0.040 0.000 2.439 444 L HA 0.289 4.629 4.340 -0.000 0.000 0.261 444 L C 0.300 177.221 176.870 0.085 0.000 1.153 444 L CA -0.281 54.591 54.840 0.054 0.000 0.808 444 L CB 0.802 42.883 42.059 0.036 0.000 1.126 444 L HN -0.266 nan 8.230 nan 0.000 0.460 445 D N 1.377 121.843 120.400 0.111 0.000 2.408 445 D HA 0.608 5.248 4.640 -0.000 0.000 0.243 445 D C -0.763 175.604 176.300 0.112 0.000 1.075 445 D CA -0.083 53.997 54.000 0.134 0.000 0.832 445 D CB 2.311 43.242 40.800 0.217 0.000 1.162 445 D HN 0.590 nan 8.370 nan 0.000 0.515 446 A N 1.665 124.537 122.820 0.088 0.000 2.486 446 A HA 0.689 5.009 4.320 -0.000 0.000 0.300 446 A C -1.330 176.294 177.584 0.067 0.000 1.048 446 A CA -0.761 51.324 52.037 0.080 0.000 0.696 446 A CB 2.171 21.207 19.000 0.061 0.000 1.278 446 A HN 0.345 nan 8.150 nan 0.000 0.405 447 V N 0.668 120.632 119.914 0.082 0.000 2.971 447 V HA 0.878 4.998 4.120 -0.000 0.000 0.309 447 V C -0.526 175.611 176.094 0.072 0.000 1.130 447 V CA 0.170 62.511 62.300 0.068 0.000 0.964 447 V CB 1.957 33.841 31.823 0.102 0.000 1.029 447 V HN 2.016 nan 8.190 nan 0.000 0.427 448 A N 5.754 128.609 122.820 0.059 0.000 2.401 448 A HA 1.011 5.331 4.320 -0.000 0.000 0.310 448 A C -1.678 175.943 177.584 0.063 0.000 1.075 448 A CA -0.530 51.538 52.037 0.052 0.000 0.746 448 A CB 1.617 20.647 19.000 0.050 0.000 1.277 448 A HN 0.910 nan 8.150 nan 0.000 0.425 449 L N 0.460 121.708 121.223 0.042 0.000 2.491 449 L HA 0.726 5.066 4.340 -0.000 0.000 0.254 449 L C -0.435 176.454 176.870 0.031 0.000 1.048 449 L CA -0.267 54.617 54.840 0.073 0.000 0.855 449 L CB 2.032 44.169 42.059 0.129 0.000 1.466 449 L HN 0.817 nan 8.230 nan 0.000 0.409 450 M N 0.195 119.837 119.600 0.070 0.000 2.259 450 M HA 0.473 4.953 4.480 -0.000 0.000 0.304 450 M C -0.936 175.455 176.300 0.152 0.000 1.019 450 M CA -0.282 55.045 55.300 0.045 0.000 0.922 450 M CB 1.375 33.983 32.600 0.013 0.000 1.600 450 M HN 0.569 nan 8.290 nan 0.000 0.433 451 H N 4.366 123.418 119.070 -0.030 0.000 2.836 451 H HA 0.065 4.621 4.556 -0.000 0.000 0.368 451 H C -1.810 173.518 175.328 0.000 0.000 1.164 451 H CA -1.124 54.924 56.048 0.000 0.000 1.425 451 H CB 0.503 30.267 29.762 0.003 0.000 1.414 451 H HN 0.521 nan 8.280 nan 0.000 0.614 452 P HA -0.202 nan 4.420 nan 0.000 0.216 452 P C 0.860 178.190 177.300 0.049 0.000 1.150 452 P CA 1.701 64.830 63.100 0.048 0.000 0.843 452 P CB 0.060 31.769 31.700 0.015 0.000 0.787 453 D N -2.109 118.332 120.400 0.069 0.000 2.336 453 D HA 0.078 4.718 4.640 -0.000 0.000 0.229 453 D C 1.401 177.710 176.300 0.016 0.000 1.061 453 D CA 0.603 54.621 54.000 0.029 0.000 0.875 453 D CB -0.837 39.968 40.800 0.007 0.000 0.904 453 D HN 0.250 nan 8.370 nan 0.000 0.525 454 G N -0.094 108.724 108.800 0.029 0.000 2.213 454 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.236 454 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.236 454 G C 0.477 175.342 174.900 -0.057 0.000 0.991 454 G CA 0.339 45.435 45.100 -0.007 0.000 0.629 454 G HN 0.797 nan 8.290 nan 0.000 0.517 455 S N 0.236 115.883 115.700 -0.089 0.000 2.614 455 S HA 0.783 5.253 4.470 -0.000 0.000 0.265 455 S C 0.471 174.832 174.600 -0.399 0.000 1.303 455 S CA 0.443 58.505 58.200 -0.229 0.000 1.000 455 S CB 1.982 65.048 63.200 -0.223 0.000 0.935 455 S HN 1.888 nan 8.310 nan 0.000 0.551 456 A N 0.319 122.730 122.820 -0.682 0.000 2.306 456 A HA 0.774 5.094 4.320 -0.000 0.000 0.330 456 A C -0.421 176.690 177.584 -0.788 0.000 1.146 456 A CA -0.822 50.687 52.037 -0.880 0.000 0.827 456 A CB 1.057 19.068 19.000 -1.648 0.000 1.178 456 A HN 1.567 nan 8.150 nan 0.000 0.490 457 V N 2.430 122.050 119.914 -0.490 0.000 2.733 457 V HA 0.684 4.804 4.120 -0.000 0.000 0.306 457 V C -1.475 174.546 176.094 -0.122 0.000 1.084 457 V CA -0.347 61.796 62.300 -0.263 0.000 0.905 457 V CB 1.879 33.663 31.823 -0.065 0.000 1.010 457 V HN 0.857 nan 8.190 nan 0.000 0.424 458 V N 6.481 126.398 119.914 0.005 0.000 2.709 458 V HA 0.622 4.742 4.120 -0.000 0.000 0.308 458 V C -0.491 175.676 176.094 0.121 0.000 1.062 458 V CA -0.585 61.772 62.300 0.095 0.000 0.901 458 V CB 2.128 34.059 31.823 0.181 0.000 1.003 458 V HN 0.757 nan 8.190 nan 0.000 0.425 459 V N 4.734 124.680 119.914 0.054 0.000 2.513 459 V HA 0.666 4.785 4.120 -0.000 0.000 0.299 459 V C -0.513 175.620 176.094 0.064 0.000 1.035 459 V CA -0.577 61.709 62.300 -0.023 0.000 0.889 459 V CB 2.029 33.667 31.823 -0.309 0.000 0.988 459 V HN 0.608 nan 8.190 nan 0.000 0.440 460 V N 5.609 125.575 119.914 0.086 0.000 2.524 460 V HA 0.445 4.565 4.120 -0.000 0.000 0.297 460 V C -0.932 175.193 176.094 0.051 0.000 1.035 460 V CA -0.476 61.883 62.300 0.099 0.000 0.867 460 V CB 1.746 33.663 31.823 0.157 0.000 1.004 460 V HN 0.640 nan 8.190 nan 0.000 0.426 461 L N 4.712 125.980 121.223 0.076 0.000 2.313 461 L HA 0.681 5.021 4.340 -0.000 0.000 0.283 461 L C -0.385 176.542 176.870 0.094 0.000 1.013 461 L CA -0.085 54.816 54.840 0.103 0.000 0.816 461 L CB 1.600 43.762 42.059 0.172 0.000 1.236 461 L HN 0.643 nan 8.230 nan 0.000 0.419 462 N N 4.015 122.771 118.700 0.093 0.000 2.558 462 N HA 0.319 5.059 4.740 -0.000 0.000 0.242 462 N C 0.285 175.868 175.510 0.122 0.000 0.979 462 N CA -0.193 52.892 53.050 0.059 0.000 0.931 462 N CB 0.809 39.287 38.487 -0.016 0.000 1.122 462 N HN 0.653 nan 8.380 nan 0.000 0.508 463 R N 0.538 121.104 120.500 0.110 0.000 2.310 463 R HA 0.074 4.414 4.340 -0.000 0.000 0.202 463 R C 0.689 177.047 176.300 0.095 0.000 0.933 463 R CA 0.039 56.242 56.100 0.173 0.000 1.054 463 R CB 0.143 30.496 30.300 0.088 0.000 0.985 463 R HN 0.581 nan 8.270 nan 0.000 0.489 464 S N -0.827 114.816 115.700 -0.094 0.000 2.713 464 S HA 0.129 4.599 4.470 -0.000 0.000 0.277 464 S C 1.153 175.327 174.600 -0.710 0.000 1.168 464 S CA -0.441 57.624 58.200 -0.224 0.000 0.994 464 S CB 1.742 64.868 63.200 -0.124 0.000 1.054 464 S HN 0.113 nan 8.310 nan 0.000 0.555 465 S N -0.583 114.759 115.700 -0.597 0.000 2.524 465 S HA 0.232 4.702 4.470 -0.000 0.000 0.216 465 S C 0.279 174.670 174.600 -0.348 0.000 0.987 465 S CA -0.280 57.490 58.200 -0.716 0.000 0.909 465 S CB -0.466 62.597 63.200 -0.227 0.000 0.781 465 S HN 0.659 nan 8.310 nan 0.000 0.521 466 K N 2.113 122.374 120.400 -0.232 0.000 2.156 466 K HA 0.332 4.652 4.320 -0.000 0.000 0.271 466 K C -1.270 175.259 176.600 -0.118 0.000 0.995 466 K CA -0.718 55.492 56.287 -0.129 0.000 0.890 466 K CB 0.624 33.076 32.500 -0.079 0.000 1.073 466 K HN 0.086 nan 8.250 nan 0.000 0.454 467 D N 1.730 122.082 120.400 -0.080 0.000 2.458 467 D HA 0.047 4.687 4.640 -0.000 0.000 0.243 467 D C -0.539 175.735 176.300 -0.043 0.000 1.146 467 D CA 0.101 54.068 54.000 -0.056 0.000 0.877 467 D CB 0.877 41.659 40.800 -0.030 0.000 1.176 467 D HN 0.015 nan 8.370 nan 0.000 0.461 468 V N 5.222 125.112 119.914 -0.040 0.000 2.350 468 V HA 0.283 4.403 4.120 -0.000 0.000 0.285 468 V C -2.148 173.937 176.094 -0.015 0.000 1.014 468 V CA -1.717 60.567 62.300 -0.027 0.000 0.831 468 V CB 1.585 33.391 31.823 -0.028 0.000 1.000 468 V HN 0.417 nan 8.190 nan 0.000 0.433 469 P HA 0.367 nan 4.420 nan 0.000 0.271 469 P C -0.940 176.360 177.300 -0.000 0.000 1.216 469 P CA -0.226 62.875 63.100 0.002 0.000 0.771 469 P CB 1.223 32.926 31.700 0.006 0.000 0.864 470 L N 2.658 123.876 121.223 -0.009 0.000 2.493 470 L HA 0.539 4.879 4.340 -0.000 0.000 0.265 470 L C -1.108 175.725 176.870 -0.062 0.000 0.954 470 L CA -0.041 54.780 54.840 -0.031 0.000 0.844 470 L CB 2.077 44.105 42.059 -0.052 0.000 1.302 470 L HN 0.223 nan 8.230 nan 0.000 0.405 471 T N 5.930 120.450 114.554 -0.057 0.000 2.829 471 T HA 0.696 5.046 4.350 -0.000 0.000 0.280 471 T C -0.374 174.233 174.700 -0.154 0.000 0.999 471 T CA -0.145 61.887 62.100 -0.113 0.000 0.983 471 T CB 1.109 69.912 68.868 -0.108 0.000 0.968 471 T HN 0.470 nan 8.240 nan 0.000 0.446 472 I N 2.815 123.236 120.570 -0.248 0.000 2.389 472 I HA 0.422 4.592 4.170 -0.000 0.000 0.288 472 I C 0.019 175.946 176.117 -0.317 0.000 0.999 472 I CA -0.829 60.315 61.300 -0.260 0.000 1.129 472 I CB 1.777 39.558 38.000 -0.364 0.000 1.288 472 I HN 0.330 nan 8.210 nan 0.000 0.444 473 K N 5.255 125.485 120.400 -0.284 0.000 2.213 473 K HA 0.269 4.589 4.320 -0.000 0.000 0.270 473 K C -1.125 175.289 176.600 -0.310 0.000 1.002 473 K CA -0.504 55.489 56.287 -0.491 0.000 0.868 473 K CB 1.197 33.391 32.500 -0.511 0.000 1.093 473 K HN 0.465 nan 8.250 nan 0.000 0.454 474 D N 5.734 125.935 120.400 -0.333 0.000 2.381 474 D HA 0.251 4.891 4.640 -0.000 0.000 0.235 474 D C -1.939 174.259 176.300 -0.169 0.000 1.068 474 D CA -2.494 51.449 54.000 -0.095 0.000 0.832 474 D CB 2.005 42.887 40.800 0.137 0.000 1.101 474 D HN 0.270 nan 8.370 nan 0.000 0.515 475 P HA -0.092 nan 4.420 nan 0.000 0.217 475 P C 0.636 177.895 177.300 -0.068 0.000 1.148 475 P CA 1.147 64.183 63.100 -0.106 0.000 0.828 475 P CB 0.286 31.957 31.700 -0.048 0.000 0.783 476 A N -2.013 120.793 122.820 -0.024 0.000 2.275 476 A HA 0.197 4.517 4.320 -0.000 0.000 0.212 476 A C 1.600 179.184 177.584 0.001 0.000 1.201 476 A CA 0.593 52.630 52.037 0.001 0.000 0.843 476 A CB -0.308 18.710 19.000 0.030 0.000 0.873 476 A HN 0.073 nan 8.150 nan 0.000 0.492 477 V N -2.651 117.237 119.914 -0.043 0.000 3.177 477 V HA 0.516 4.636 4.120 -0.000 0.000 0.220 477 V C 1.109 177.133 176.094 -0.116 0.000 1.395 477 V CA 0.604 62.872 62.300 -0.053 0.000 1.317 477 V CB -0.012 31.791 31.823 -0.035 0.000 1.148 477 V HN 0.935 nan 8.190 nan 0.000 0.499 478 G N 0.214 108.868 108.800 -0.243 0.000 2.247 478 G HA2 0.138 4.098 3.960 -0.000 0.000 0.229 478 G HA3 0.138 4.098 3.960 -0.000 0.000 0.229 478 G C -1.766 172.794 174.900 -0.567 0.000 1.345 478 G CA -0.592 44.335 45.100 -0.287 0.000 1.100 478 G HN 0.056 nan 8.290 nan 0.000 0.473 479 F N 0.280 120.115 119.950 -0.192 0.000 2.495 479 F HA 0.737 5.263 4.527 -0.000 0.000 0.327 479 F C 0.355 175.988 175.800 -0.278 0.000 1.103 479 F CA -0.643 57.198 58.000 -0.265 0.000 0.949 479 F CB 2.184 41.025 39.000 -0.265 0.000 1.142 479 F HN 0.398 nan 8.300 nan 0.000 0.457 480 L N 4.010 125.086 121.223 -0.246 0.000 2.276 480 L HA 0.431 4.771 4.340 -0.000 0.000 0.286 480 L C -0.591 176.105 176.870 -0.290 0.000 1.024 480 L CA -0.459 54.153 54.840 -0.380 0.000 0.826 480 L CB 0.518 42.111 42.059 -0.776 0.000 1.211 480 L HN 0.502 nan 8.230 nan 0.000 0.422 481 E N 3.423 123.542 120.200 -0.136 0.000 2.167 481 E HA 0.348 4.698 4.350 -0.000 0.000 0.284 481 E C -0.509 176.053 176.600 -0.063 0.000 1.016 481 E CA 0.008 56.366 56.400 -0.070 0.000 0.817 481 E CB 1.931 31.639 29.700 0.013 0.000 1.080 481 E HN 0.548 nan 8.360 nan 0.000 0.397 482 T N 2.139 116.651 114.554 -0.069 0.000 2.731 482 T HA 0.676 5.026 4.350 -0.000 0.000 0.300 482 T C -1.285 173.437 174.700 0.037 0.000 1.283 482 T CA -0.537 61.565 62.100 0.004 0.000 1.005 482 T CB 0.906 69.755 68.868 -0.031 0.000 1.420 482 T HN 0.327 nan 8.240 nan 0.000 0.503 483 I N 1.770 122.400 120.570 0.101 0.000 2.582 483 I HA 0.456 4.626 4.170 -0.000 0.000 0.292 483 I C -0.368 175.798 176.117 0.081 0.000 1.066 483 I CA -0.956 60.386 61.300 0.070 0.000 1.053 483 I CB 2.267 40.306 38.000 0.066 0.000 1.241 483 I HN 0.516 nan 8.210 nan 0.000 0.421 484 S N 7.109 122.796 115.700 -0.022 0.000 2.466 484 S HA 0.469 4.939 4.470 -0.000 0.000 0.313 484 S C -2.446 172.085 174.600 -0.115 0.000 1.078 484 S CA -1.531 56.569 58.200 -0.166 0.000 1.115 484 S CB 0.264 63.384 63.200 -0.133 0.000 1.006 484 S HN 0.225 nan 8.310 nan 0.000 0.487 485 P HA 0.159 nan 4.420 nan 0.000 0.269 485 P C 0.405 177.665 177.300 -0.066 0.000 1.215 485 P CA -0.008 63.069 63.100 -0.038 0.000 0.780 485 P CB 0.280 31.993 31.700 0.021 0.000 0.898 486 G N 1.959 110.696 108.800 -0.105 0.000 2.287 486 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.235 486 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.235 486 G C -0.608 174.223 174.900 -0.115 0.000 1.258 486 G CA -0.050 44.906 45.100 -0.239 0.000 0.884 486 G HN 0.598 nan 8.290 nan 0.000 0.518 487 Y N -0.086 120.269 120.300 0.091 0.000 3.018 487 Y HA -0.231 4.319 4.550 -0.000 0.000 0.181 487 Y C 1.152 177.188 175.900 0.226 0.000 1.542 487 Y CA 0.537 58.762 58.100 0.209 0.000 0.975 487 Y CB -1.856 36.606 38.460 0.004 0.000 1.379 487 Y HN 1.015 nan 8.280 nan 0.000 0.423 488 S N 0.206 116.133 115.700 0.379 0.000 2.651 488 S HA 0.902 5.372 4.470 -0.000 0.000 0.279 488 S C -0.895 173.858 174.600 0.255 0.000 1.148 488 S CA -0.765 57.635 58.200 0.334 0.000 0.837 488 S CB 3.245 66.515 63.200 0.116 0.000 1.138 488 S HN 0.566 nan 8.310 nan 0.000 0.478 489 I N 0.834 121.500 120.570 0.160 0.000 2.607 489 I HA 0.545 4.715 4.170 -0.000 0.000 0.290 489 I C -1.550 174.565 176.117 -0.004 0.000 1.129 489 I CA -0.475 60.769 61.300 -0.093 0.000 1.042 489 I CB 1.745 39.481 38.000 -0.440 0.000 1.242 489 I HN 0.936 nan 8.210 nan 0.000 0.421 490 H N 4.240 123.236 119.070 -0.123 0.000 2.679 490 H HA 0.546 5.102 4.556 -0.000 0.000 0.367 490 H C -1.048 174.246 175.328 -0.057 0.000 1.162 490 H CA -1.012 54.993 56.048 -0.073 0.000 1.181 490 H CB 2.424 32.127 29.762 -0.099 0.000 1.693 490 H HN 0.436 nan 8.280 nan 0.000 0.538 491 T N 2.402 116.951 114.554 -0.007 0.000 2.848 491 T HA 0.276 4.626 4.350 -0.000 0.000 0.285 491 T C -1.138 173.365 174.700 -0.328 0.000 0.995 491 T CA -0.680 61.342 62.100 -0.130 0.000 0.970 491 T CB 0.630 69.362 68.868 -0.227 0.000 0.976 491 T HN 0.298 nan 8.240 nan 0.000 0.441 492 Y N 2.069 122.368 120.300 -0.001 0.000 2.387 492 Y HA 0.742 5.292 4.550 -0.000 0.000 0.336 492 Y C -0.196 175.744 175.900 0.067 0.000 1.067 492 Y CA -1.130 57.032 58.100 0.104 0.000 1.114 492 Y CB 1.314 39.894 38.460 0.200 0.000 1.208 492 Y HN 0.414 nan 8.280 nan 0.000 0.458 493 L N 2.691 124.098 121.223 0.307 0.000 2.422 493 L HA 0.606 4.946 4.340 -0.000 0.000 0.264 493 L C -1.387 175.719 176.870 0.393 0.000 0.984 493 L CA -0.551 54.358 54.840 0.114 0.000 0.819 493 L CB 1.943 43.974 42.059 -0.046 0.000 1.330 493 L HN 0.803 nan 8.230 nan 0.000 0.410 494 W N 0.582 121.904 121.300 0.038 0.000 3.146 494 W HA 0.725 5.385 4.660 -0.000 0.000 0.319 494 W C -1.344 175.191 176.519 0.027 0.000 1.258 494 W CA -1.051 56.333 57.345 0.065 0.000 1.189 494 W CB 0.909 30.429 29.460 0.099 0.000 1.412 494 W HN 0.238 nan 8.180 nan 0.000 0.567 495 R N 1.478 122.148 120.500 0.283 0.000 2.539 495 R HA 0.381 4.721 4.340 -0.000 0.000 0.275 495 R C 0.993 177.434 176.300 0.234 0.000 1.077 495 R CA -0.409 55.788 56.100 0.161 0.000 1.097 495 R CB 0.893 31.275 30.300 0.136 0.000 1.018 495 R HN 0.656 nan 8.270 nan 0.000 0.483 496 R N 0.935 121.505 120.500 0.117 0.000 2.397 496 R HA 0.125 4.465 4.340 -0.000 0.000 0.241 496 R C 0.371 176.724 176.300 0.089 0.000 0.914 496 R CA 0.145 56.330 56.100 0.142 0.000 1.071 496 R CB 0.874 31.218 30.300 0.072 0.000 1.116 496 R HN 0.558 nan 8.270 nan 0.000 0.524 497 Q N 0.000 119.839 119.800 0.066 0.000 2.315 497 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 497 Q CA 0.000 55.828 55.803 0.042 0.000 1.022 497 Q CB 0.000 28.751 28.738 0.022 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481