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 3gxf_1_B DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFDPPT FPALGTFSRY ESTRSGRRME DATA SEQUENCE LSMGPIQANH TGTGLLLTLQ PEQKFQKVKG FGGAMTDAAA LNILALSPPA DATA SEQUENCE QNLLLKSYFS EEGIGYNIIR VPMASCDFSI RTYTYADTPD DFQLHNFSLP DATA SEQUENCE EEDTKLKIPL IHRALQLAQR PVSLLASPWT SPTWLKTNGA VNGKGSLKGQ DATA SEQUENCE PGDIYHQTWA RYFVKFLDAY AEHKLQFWAV TAENEPSAGL LSGYPFQCLG DATA SEQUENCE FTPEHQRDFI ARDLGPTLAN STHHNVRLLM LDDQRLLLPH WAKVVLTDPE DATA SEQUENCE AAKYVHGIAV HWYLDFLAPA KATLGETHRL FPNTMLFASE ACVGSKFWEQ DATA SEQUENCE SVRLGSWDRG MQYSHSIITN LLYHVVGWTD WNLALNPEGG PNWVRNFVDS DATA SEQUENCE PIIVDITKDT FYKQPMFYHL GHFSKFIPEG SQRVGLVASQ KNDLDAVALM DATA SEQUENCE HPDGSAVVVV LNRSSKDVPL TIKDPAVGFL ETISPGYSIH TYLWHRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.556 177.584 -0.047 0.000 1.274 1 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 1 A CB 0.000 19.009 19.000 0.016 0.000 0.831 2 R N 2.992 123.427 120.500 -0.109 0.000 2.445 2 R HA 0.628 4.982 4.340 0.025 0.000 0.308 2 R C -2.687 173.599 176.300 -0.024 0.000 0.961 2 R CA -1.779 54.259 56.100 -0.104 0.000 0.862 2 R CB 2.077 32.127 30.300 -0.415 0.000 1.144 2 R HN 0.539 nan 8.270 nan 0.000 0.447 3 P HA -0.008 nan 4.420 nan 0.000 0.274 3 P C 0.050 177.424 177.300 0.124 0.000 1.256 3 P CA -0.600 62.541 63.100 0.067 0.000 0.795 3 P CB 0.646 32.380 31.700 0.056 0.000 1.038 4 c N 2.441 121.064 118.600 0.039 0.000 2.634 4 c HA 0.196 4.781 4.570 0.025 0.000 0.418 4 c C 0.699 174.803 174.090 0.023 0.000 1.373 4 c CA -0.222 56.127 56.329 0.034 0.000 1.756 4 c CB -2.305 40.174 42.510 -0.051 0.000 2.589 4 c HN 0.346 nan 8.230 nan 0.000 0.602 5 I N 9.798 130.377 120.570 0.014 0.000 2.287 5 I HA 0.297 4.482 4.170 0.025 0.000 0.290 5 I C -1.611 174.479 176.117 -0.044 0.000 1.069 5 I CA -1.408 59.837 61.300 -0.093 0.000 1.237 5 I CB 0.945 38.785 38.000 -0.266 0.000 1.418 5 I HN 0.626 nan 8.210 nan 0.000 0.481 6 P HA 0.221 nan 4.420 nan 0.000 0.277 6 P C -1.084 176.203 177.300 -0.023 0.000 1.240 6 P CA -0.659 62.432 63.100 -0.015 0.000 0.798 6 P CB 1.317 32.999 31.700 -0.029 0.000 0.979 7 K N 0.482 120.884 120.400 0.003 0.000 2.525 7 K HA 0.445 4.780 4.320 0.025 0.000 0.254 7 K C -1.100 175.457 176.600 -0.072 0.000 0.934 7 K CA -0.549 55.687 56.287 -0.085 0.000 0.802 7 K CB 1.801 34.231 32.500 -0.116 0.000 1.295 7 K HN 0.330 nan 8.250 nan 0.000 0.433 8 S N 2.476 118.069 115.700 -0.179 0.000 2.578 8 S HA 0.561 5.046 4.470 0.025 0.000 0.283 8 S C -0.516 173.920 174.600 -0.273 0.000 1.195 8 S CA -0.517 57.636 58.200 -0.078 0.000 1.050 8 S CB 0.355 63.518 63.200 -0.061 0.000 1.012 8 S HN 0.526 nan 8.310 nan 0.000 0.511 9 F N 1.589 121.564 119.950 0.040 0.000 2.772 9 F HA 0.386 4.927 4.527 0.024 0.000 0.316 9 F C 1.553 177.448 175.800 0.158 0.000 1.114 9 F CA 0.109 58.165 58.000 0.094 0.000 1.191 9 F CB 0.774 39.831 39.000 0.094 0.000 1.065 9 F HN 0.846 nan 8.300 nan 0.000 0.534 10 G N -0.726 108.195 108.800 0.201 0.000 2.176 10 G HA2 -0.281 3.694 3.960 0.025 0.000 0.232 10 G HA3 -0.281 3.694 3.960 0.025 0.000 0.232 10 G C -0.067 174.768 174.900 -0.109 0.000 0.986 10 G CA -0.394 44.700 45.100 -0.010 0.000 0.643 10 G HN 0.251 nan 8.290 nan 0.000 0.522 11 Y N 0.829 121.173 120.300 0.074 0.000 2.496 11 Y HA 0.498 5.062 4.550 0.024 0.000 0.325 11 Y C 2.145 178.077 175.900 0.054 0.000 1.271 11 Y CA -0.071 58.064 58.100 0.060 0.000 1.368 11 Y CB 0.611 39.107 38.460 0.061 0.000 1.415 11 Y HN 0.230 nan 8.280 nan 0.000 0.527 12 S N -1.284 114.542 115.700 0.210 0.000 2.484 12 S HA -0.072 4.412 4.470 0.025 0.000 0.250 12 S C 0.623 175.288 174.600 0.109 0.000 0.995 12 S CA 1.159 59.430 58.200 0.118 0.000 0.967 12 S CB -0.292 62.974 63.200 0.110 0.000 0.752 12 S HN 0.501 nan 8.310 nan 0.000 0.517 13 S N -1.122 114.679 115.700 0.169 0.000 2.661 13 S HA 0.559 5.044 4.470 0.025 0.000 0.268 13 S C -1.068 173.633 174.600 0.169 0.000 1.162 13 S CA -0.369 57.920 58.200 0.148 0.000 0.817 13 S CB 1.007 64.355 63.200 0.247 0.000 1.141 13 S HN 0.782 nan 8.310 nan 0.000 0.477 14 V N 0.940 120.938 119.914 0.141 0.000 2.834 14 V HA 0.950 5.085 4.120 0.025 0.000 0.313 14 V C 0.425 176.619 176.094 0.165 0.000 1.060 14 V CA -0.402 61.976 62.300 0.129 0.000 0.989 14 V CB 0.946 32.803 31.823 0.057 0.000 1.041 14 V HN 0.955 nan 8.190 nan 0.000 0.459 15 V N -0.324 119.698 119.914 0.180 0.000 3.234 15 V HA 0.701 4.835 4.120 0.025 0.000 0.317 15 V C 0.006 176.201 176.094 0.168 0.000 1.081 15 V CA -0.575 61.843 62.300 0.198 0.000 1.037 15 V CB 1.383 33.331 31.823 0.209 0.000 1.148 15 V HN 1.074 nan 8.190 nan 0.000 0.453 16 c N 1.655 120.365 118.600 0.183 0.000 2.298 16 c HA 0.702 5.287 4.570 0.025 0.000 0.323 16 c C 0.178 174.333 174.090 0.109 0.000 1.284 16 c CA -0.627 55.771 56.329 0.116 0.000 1.577 16 c CB 0.238 42.817 42.510 0.115 0.000 2.249 16 c HN 0.757 nan 8.230 nan 0.000 0.497 17 V N 2.719 122.683 119.914 0.083 0.000 2.546 17 V HA 0.446 4.581 4.120 0.025 0.000 0.284 17 V C 0.188 176.174 176.094 -0.180 0.000 1.050 17 V CA -0.120 62.205 62.300 0.042 0.000 0.981 17 V CB 0.856 32.736 31.823 0.095 0.000 0.990 17 V HN 1.049 nan 8.190 nan 0.000 0.474 18 c N 4.843 123.140 118.600 -0.505 0.000 2.698 18 c HA 0.757 5.342 4.570 0.025 0.000 0.309 18 c C 0.062 173.744 174.090 -0.679 0.000 1.186 18 c CA -0.905 55.003 56.329 -0.702 0.000 1.474 18 c CB 1.412 43.093 42.510 -1.381 0.000 2.020 18 c HN 1.094 nan 8.230 nan 0.000 0.474 19 N N 0.685 119.185 118.700 -0.334 0.000 3.439 19 N HA 0.628 5.383 4.740 0.025 0.000 0.343 19 N C 0.427 175.908 175.510 -0.049 0.000 1.597 19 N CA -0.148 52.801 53.050 -0.168 0.000 0.733 19 N CB 0.205 38.637 38.487 -0.092 0.000 1.973 19 N HN 0.506 nan 8.380 nan 0.000 0.646 20 A N -1.281 121.541 122.820 0.004 0.000 2.066 20 A HA -0.003 4.332 4.320 0.025 0.000 0.218 20 A C 1.567 179.168 177.584 0.029 0.000 1.157 20 A CA 2.197 54.255 52.037 0.034 0.000 0.670 20 A CB -1.289 17.728 19.000 0.028 0.000 0.804 20 A HN 0.852 nan 8.150 nan 0.000 0.453 21 T N -5.801 108.771 114.554 0.030 0.000 2.969 21 T HA 0.286 4.651 4.350 0.025 0.000 0.250 21 T C 0.211 174.945 174.700 0.057 0.000 1.021 21 T CA 0.055 62.178 62.100 0.039 0.000 1.003 21 T CB -0.166 68.727 68.868 0.042 0.000 1.040 21 T HN 0.273 nan 8.240 nan 0.000 0.492 22 Y N 0.132 120.391 120.300 -0.069 0.000 2.462 22 Y HA 0.603 5.167 4.550 0.024 0.000 0.346 22 Y C -1.360 174.459 175.900 -0.134 0.000 0.976 22 Y CA -1.411 56.638 58.100 -0.085 0.000 1.044 22 Y CB 2.114 40.522 38.460 -0.087 0.000 1.230 22 Y HN 0.309 nan 8.280 nan 0.000 0.455 23 c N 6.883 125.180 118.600 -0.506 0.000 3.146 23 c HA 0.215 4.800 4.570 0.025 0.000 0.405 23 c C -1.525 172.327 174.090 -0.397 0.000 1.012 23 c CA -1.048 55.123 56.329 -0.265 0.000 1.217 23 c CB 0.115 42.534 42.510 -0.152 0.000 1.599 23 c HN 0.952 nan 8.230 nan 0.000 0.567 24 D N 3.637 123.941 120.400 -0.160 0.000 2.533 24 D HA 0.310 4.965 4.640 0.025 0.000 0.236 24 D C -0.034 176.141 176.300 -0.209 0.000 1.137 24 D CA 0.603 54.514 54.000 -0.149 0.000 0.867 24 D CB 0.959 41.748 40.800 -0.019 0.000 1.170 24 D HN 0.814 nan 8.370 nan 0.000 0.474 25 S N 0.741 116.292 115.700 -0.248 0.000 2.607 25 S HA 0.631 5.116 4.470 0.025 0.000 0.273 25 S C -0.797 173.640 174.600 -0.272 0.000 1.148 25 S CA -1.070 56.998 58.200 -0.220 0.000 0.833 25 S CB 0.949 64.079 63.200 -0.117 0.000 1.130 25 S HN 0.351 nan 8.310 nan 0.000 0.470 26 F N 1.373 121.338 119.950 0.026 0.000 2.378 26 F HA 0.405 4.945 4.527 0.022 0.000 0.325 26 F C 1.053 176.868 175.800 0.025 0.000 1.097 26 F CA -0.480 57.548 58.000 0.047 0.000 1.079 26 F CB 0.617 39.643 39.000 0.043 0.000 1.240 26 F HN 0.522 nan 8.300 nan 0.000 0.519 27 D N 1.802 122.352 120.400 0.250 0.000 2.368 27 D HA 0.133 4.788 4.640 0.025 0.000 0.240 27 D C -2.200 174.179 176.300 0.131 0.000 1.169 27 D CA -0.851 53.237 54.000 0.146 0.000 0.906 27 D CB 0.226 41.094 40.800 0.114 0.000 1.187 27 D HN 0.103 nan 8.370 nan 0.000 0.435 28 P HA 0.034 nan 4.420 nan 0.000 0.264 28 P C -2.354 174.945 177.300 -0.001 0.000 1.179 28 P CA -0.499 62.616 63.100 0.025 0.000 0.763 28 P CB -0.371 31.337 31.700 0.013 0.000 0.806 29 P HA 0.147 nan 4.420 nan 0.000 0.269 29 P C -0.688 176.497 177.300 -0.191 0.000 1.209 29 P CA 0.231 63.266 63.100 -0.108 0.000 0.776 29 P CB 0.418 32.018 31.700 -0.167 0.000 0.876 30 T N 0.311 114.744 114.554 -0.202 0.000 2.906 30 T HA 0.585 4.950 4.350 0.025 0.000 0.295 30 T C -0.392 174.077 174.700 -0.386 0.000 1.075 30 T CA -0.519 61.402 62.100 -0.299 0.000 1.005 30 T CB 0.699 69.511 68.868 -0.092 0.000 1.136 30 T HN 0.017 nan 8.240 nan 0.000 0.498 31 F N 2.479 122.409 119.950 -0.034 0.000 2.412 31 F HA 0.452 4.993 4.527 0.024 0.000 0.348 31 F C -1.554 174.144 175.800 -0.170 0.000 1.102 31 F CA -2.135 55.760 58.000 -0.174 0.000 1.196 31 F CB 0.023 38.753 39.000 -0.450 0.000 1.144 31 F HN 0.291 nan 8.300 nan 0.000 0.541 32 P HA 0.263 nan 4.420 nan 0.000 0.275 32 P C -0.885 176.404 177.300 -0.018 0.000 1.228 32 P CA -0.453 62.656 63.100 0.014 0.000 0.786 32 P CB 0.935 32.677 31.700 0.071 0.000 0.927 33 A N 3.461 126.279 122.820 -0.004 0.000 2.498 33 A HA 0.126 4.461 4.320 0.025 0.000 0.239 33 A C 0.366 177.977 177.584 0.046 0.000 1.068 33 A CA -0.378 51.663 52.037 0.006 0.000 0.766 33 A CB -0.405 18.600 19.000 0.008 0.000 1.003 33 A HN 0.613 nan 8.150 nan 0.000 0.497 34 L N 2.318 123.583 121.223 0.069 0.000 2.653 34 L HA 0.262 4.617 4.340 0.025 0.000 0.288 34 L C 1.496 178.420 176.870 0.090 0.000 1.243 34 L CA 2.207 57.116 54.840 0.114 0.000 0.906 34 L CB -0.419 41.698 42.059 0.098 0.000 1.154 34 L HN 1.632 nan 8.230 nan 0.000 0.498 35 G N 2.000 110.866 108.800 0.110 0.000 2.199 35 G HA2 -0.244 3.731 3.960 0.025 0.000 0.254 35 G HA3 -0.244 3.731 3.960 0.025 0.000 0.254 35 G C 0.360 175.301 174.900 0.069 0.000 0.982 35 G CA 0.602 45.748 45.100 0.076 0.000 0.632 35 G HN 1.149 nan 8.290 nan 0.000 0.529 36 T N -1.042 113.561 114.554 0.081 0.000 2.924 36 T HA 0.806 5.171 4.350 0.025 0.000 0.291 36 T C -0.320 174.467 174.700 0.146 0.000 1.045 36 T CA -0.296 61.821 62.100 0.028 0.000 1.015 36 T CB 2.397 71.226 68.868 -0.064 0.000 1.103 36 T HN 1.479 nan 8.240 nan 0.000 0.496 37 F N -0.305 119.697 119.950 0.087 0.000 2.579 37 F HA 0.865 5.399 4.527 0.013 0.000 0.324 37 F C -0.440 175.435 175.800 0.125 0.000 1.058 37 F CA -1.159 56.949 58.000 0.181 0.000 0.944 37 F CB 1.477 40.585 39.000 0.181 0.000 1.245 37 F HN 0.554 nan 8.300 nan 0.000 0.477 38 S N 1.900 117.788 115.700 0.314 0.000 2.525 38 S HA 0.547 5.032 4.470 0.025 0.000 0.290 38 S C -0.807 173.916 174.600 0.205 0.000 1.152 38 S CA -0.837 57.417 58.200 0.089 0.000 1.072 38 S CB 1.102 64.330 63.200 0.048 0.000 1.027 38 S HN 0.744 nan 8.310 nan 0.000 0.500 39 R N 2.515 122.980 120.500 -0.058 0.000 2.534 39 R HA 0.392 4.747 4.340 0.025 0.000 0.301 39 R C -1.947 174.084 176.300 -0.448 0.000 0.961 39 R CA -0.424 55.530 56.100 -0.242 0.000 0.871 39 R CB 0.790 30.999 30.300 -0.152 0.000 1.170 39 R HN 0.616 nan 8.270 nan 0.000 0.446 40 Y N 1.723 121.830 120.300 -0.322 0.000 2.341 40 Y HA 0.300 4.867 4.550 0.028 0.000 0.337 40 Y C 0.045 175.945 175.900 -0.001 0.000 1.014 40 Y CA -0.513 57.521 58.100 -0.110 0.000 1.111 40 Y CB 1.846 40.271 38.460 -0.059 0.000 1.194 40 Y HN 0.568 nan 8.280 nan 0.000 0.462 41 E N 1.747 122.066 120.200 0.197 0.000 2.234 41 E HA 0.642 5.007 4.350 0.025 0.000 0.266 41 E C -1.543 175.272 176.600 0.357 0.000 0.877 41 E CA -0.590 55.932 56.400 0.203 0.000 0.758 41 E CB 1.207 30.884 29.700 -0.039 0.000 1.170 41 E HN 0.573 nan 8.360 nan 0.000 0.415 42 S N 2.350 118.316 115.700 0.443 0.000 2.502 42 S HA 0.566 5.051 4.470 0.025 0.000 0.304 42 S C -0.815 173.999 174.600 0.358 0.000 1.097 42 S CA -0.745 57.717 58.200 0.436 0.000 1.045 42 S CB 1.715 65.297 63.200 0.637 0.000 1.019 42 S HN 0.652 nan 8.310 nan 0.000 0.481 43 T N -0.662 113.933 114.554 0.069 0.000 2.906 43 T HA 0.500 4.865 4.350 0.025 0.000 0.295 43 T C 0.856 174.963 174.700 -0.990 0.000 1.075 43 T CA -0.976 60.942 62.100 -0.304 0.000 1.005 43 T CB 1.636 70.419 68.868 -0.142 0.000 1.136 43 T HN 0.431 nan 8.240 nan 0.000 0.498 44 R N 0.760 120.353 120.500 -1.513 0.000 2.103 44 R HA -0.138 4.217 4.340 0.025 0.000 0.242 44 R C 2.334 178.320 176.300 -0.523 0.000 1.142 44 R CA 2.213 57.532 56.100 -1.302 0.000 0.960 44 R CB -0.677 29.019 30.300 -1.007 0.000 0.858 44 R HN 0.851 nan 8.270 nan 0.000 0.439 45 S N -1.933 113.563 115.700 -0.340 0.000 2.507 45 S HA 0.036 4.520 4.470 0.025 0.000 0.235 45 S C 1.247 175.769 174.600 -0.131 0.000 0.988 45 S CA 0.913 59.009 58.200 -0.172 0.000 0.944 45 S CB 0.655 63.789 63.200 -0.110 0.000 0.762 45 S HN 0.571 nan 8.310 nan 0.000 0.526 46 G N 0.305 109.015 108.800 -0.150 0.000 2.613 46 G HA2 -0.070 3.904 3.960 0.025 0.000 0.199 46 G HA3 -0.070 3.904 3.960 0.025 0.000 0.199 46 G C -0.011 174.850 174.900 -0.065 0.000 0.991 46 G CA -0.790 44.258 45.100 -0.087 0.000 0.756 46 G HN 0.409 nan 8.290 nan 0.000 0.515 47 R N 0.838 121.307 120.500 -0.052 0.000 2.438 47 R HA 0.528 4.883 4.340 0.025 0.000 0.287 47 R C -0.335 175.976 176.300 0.018 0.000 1.077 47 R CA -0.102 55.994 56.100 -0.007 0.000 1.034 47 R CB 0.494 30.811 30.300 0.028 0.000 0.993 47 R HN -0.010 nan 8.270 nan 0.000 0.459 48 R N 3.930 124.424 120.500 -0.011 0.000 2.422 48 R HA 0.185 4.540 4.340 0.025 0.000 0.307 48 R C 0.014 176.379 176.300 0.108 0.000 1.004 48 R CA -0.661 55.389 56.100 -0.083 0.000 0.882 48 R CB 1.267 31.334 30.300 -0.387 0.000 1.164 48 R HN 0.766 nan 8.270 nan 0.000 0.489 49 M N 1.698 121.470 119.600 0.287 0.000 2.351 49 M HA -0.279 4.216 4.480 0.025 0.000 0.181 49 M C 0.012 176.603 176.300 0.485 0.000 0.852 49 M CA 1.262 56.818 55.300 0.428 0.000 0.520 49 M CB -1.329 31.586 32.600 0.525 0.000 1.076 49 M HN 0.466 nan 8.290 nan 0.000 0.881 50 E N 0.273 120.636 120.200 0.271 0.000 2.231 50 E HA 0.653 5.018 4.350 0.025 0.000 0.277 50 E C -0.589 175.982 176.600 -0.049 0.000 0.999 50 E CA -1.164 55.321 56.400 0.141 0.000 0.827 50 E CB 1.770 31.505 29.700 0.058 0.000 1.101 50 E HN 0.338 nan 8.360 nan 0.000 0.393 51 L N 2.743 123.861 121.223 -0.174 0.000 2.292 51 L HA 0.371 4.726 4.340 0.025 0.000 0.284 51 L C -0.703 175.998 176.870 -0.282 0.000 1.065 51 L CA 0.292 54.847 54.840 -0.475 0.000 0.806 51 L CB 1.125 42.915 42.059 -0.449 0.000 1.175 51 L HN 0.836 nan 8.230 nan 0.000 0.431 52 S N 5.255 120.767 115.700 -0.313 0.000 2.732 52 S HA 0.826 5.310 4.470 0.025 0.000 0.293 52 S C -0.772 173.672 174.600 -0.259 0.000 1.159 52 S CA -0.955 57.114 58.200 -0.220 0.000 0.847 52 S CB 1.723 64.836 63.200 -0.145 0.000 1.169 52 S HN 0.774 nan 8.310 nan 0.000 0.501 53 M N 0.605 120.036 119.600 -0.281 0.000 2.531 53 M HA 0.706 5.201 4.480 0.025 0.000 0.286 53 M C -1.022 174.936 176.300 -0.570 0.000 1.232 53 M CA -0.025 55.010 55.300 -0.441 0.000 0.877 53 M CB 1.593 34.020 32.600 -0.288 0.000 1.726 53 M HN 1.180 nan 8.290 nan 0.000 0.463 54 G N 2.819 110.983 108.800 -1.059 0.000 2.788 54 G HA2 0.836 4.811 3.960 0.025 0.000 0.293 54 G HA3 0.836 4.811 3.960 0.025 0.000 0.293 54 G C -3.357 171.234 174.900 -0.515 0.000 1.392 54 G CA -0.838 43.845 45.100 -0.695 0.000 0.810 54 G HN 0.461 nan 8.290 nan 0.000 0.508 55 P HA 0.483 nan 4.420 nan 0.000 0.286 55 P C -0.698 176.712 177.300 0.184 0.000 1.261 55 P CA -0.483 62.629 63.100 0.019 0.000 0.821 55 P CB 1.944 33.660 31.700 0.026 0.000 1.013 56 I N 2.900 123.552 120.570 0.136 0.000 2.297 56 I HA 0.126 4.311 4.170 0.025 0.000 0.291 56 I C 1.072 177.228 176.117 0.065 0.000 1.033 56 I CA -0.483 60.865 61.300 0.080 0.000 1.253 56 I CB 0.579 38.573 38.000 -0.010 0.000 1.396 56 I HN 0.137 nan 8.210 nan 0.000 0.476 57 Q N 4.478 124.333 119.800 0.091 0.000 2.394 57 Q HA 0.233 4.588 4.340 0.025 0.000 0.248 57 Q C 0.998 177.097 176.000 0.165 0.000 0.992 57 Q CA -0.119 55.752 55.803 0.113 0.000 0.888 57 Q CB 1.142 29.951 28.738 0.119 0.000 1.257 57 Q HN 0.813 nan 8.270 nan 0.000 0.462 58 A N 2.683 125.582 122.820 0.132 0.000 1.898 58 A HA -0.103 4.232 4.320 0.025 0.000 0.216 58 A C 0.852 178.577 177.584 0.234 0.000 1.181 58 A CA 1.568 53.696 52.037 0.152 0.000 0.620 58 A CB -0.137 18.914 19.000 0.085 0.000 0.819 58 A HN 0.896 nan 8.150 nan 0.000 0.442 59 N N -2.181 116.583 118.700 0.107 0.000 2.774 59 N HA 0.293 5.048 4.740 0.025 0.000 0.264 59 N C -1.404 173.859 175.510 -0.411 0.000 1.415 59 N CA -0.602 52.377 53.050 -0.119 0.000 0.815 59 N CB 1.128 39.562 38.487 -0.089 0.000 1.514 59 N HN 0.340 nan 8.380 nan 0.000 0.523 60 H N -0.591 117.966 119.070 -0.855 0.000 2.894 60 H HA 0.361 4.930 4.556 0.021 0.000 0.367 60 H C -1.645 173.425 175.328 -0.430 0.000 1.144 60 H CA -0.338 55.256 56.048 -0.757 0.000 1.180 60 H CB 2.362 31.338 29.762 -1.309 0.000 1.758 60 H HN 0.852 nan 8.280 nan 0.000 0.541 61 T N 1.365 115.432 114.554 -0.811 0.000 2.900 61 T HA 0.697 5.062 4.350 0.025 0.000 0.295 61 T C 0.121 174.437 174.700 -0.642 0.000 1.044 61 T CA -0.191 61.509 62.100 -0.666 0.000 0.995 61 T CB 1.960 70.642 68.868 -0.310 0.000 1.072 61 T HN 1.092 nan 8.240 nan 0.000 0.473 62 G N 0.689 109.228 108.800 -0.435 0.000 2.406 62 G HA2 0.394 4.369 3.960 0.025 0.000 0.680 62 G HA3 0.394 4.369 3.960 0.025 0.000 0.680 62 G C 0.252 175.038 174.900 -0.191 0.000 1.338 62 G CA 0.478 45.449 45.100 -0.215 0.000 0.941 62 G HN 2.635 nan 8.290 nan 0.000 0.633 63 T N -4.417 110.115 114.554 -0.036 0.000 9.189 63 T HA -0.017 4.348 4.350 0.025 0.000 0.327 63 T C 2.299 177.022 174.700 0.039 0.000 1.987 63 T CA 1.919 64.018 62.100 -0.001 0.000 3.270 63 T CB -1.593 67.260 68.868 -0.026 0.000 1.870 63 T HN 2.572 nan 8.240 nan 0.000 0.772 64 G N 1.253 110.104 108.800 0.085 0.000 2.557 64 G HA2 0.599 4.574 3.960 0.025 0.000 0.292 64 G HA3 0.599 4.574 3.960 0.025 0.000 0.292 64 G C -0.163 174.778 174.900 0.068 0.000 1.237 64 G CA -0.401 44.744 45.100 0.075 0.000 0.978 64 G HN 0.974 nan 8.290 nan 0.000 0.498 65 L N -0.347 120.895 121.223 0.032 0.000 2.410 65 L HA 0.522 4.877 4.340 0.025 0.000 0.273 65 L C -0.481 176.386 176.870 -0.005 0.000 1.144 65 L CA -0.266 54.584 54.840 0.017 0.000 0.863 65 L CB 0.892 42.955 42.059 0.006 0.000 1.140 65 L HN 0.311 nan 8.230 nan 0.000 0.463 66 L N 6.358 127.586 121.223 0.009 0.000 2.343 66 L HA 0.507 4.862 4.340 0.025 0.000 0.278 66 L C -1.293 175.572 176.870 -0.008 0.000 0.996 66 L CA -0.245 54.587 54.840 -0.013 0.000 0.831 66 L CB 1.287 43.377 42.059 0.051 0.000 1.232 66 L HN 0.550 nan 8.230 nan 0.000 0.413 67 L N 5.041 126.240 121.223 -0.039 0.000 2.260 67 L HA 0.454 4.809 4.340 0.025 0.000 0.289 67 L C -0.037 176.815 176.870 -0.029 0.000 1.057 67 L CA -0.258 54.569 54.840 -0.022 0.000 0.811 67 L CB 1.037 43.084 42.059 -0.020 0.000 1.184 67 L HN 0.586 nan 8.230 nan 0.000 0.429 68 T N 4.144 118.697 114.554 -0.002 0.000 2.767 68 T HA 0.357 4.722 4.350 0.025 0.000 0.284 68 T C -0.150 174.561 174.700 0.019 0.000 0.973 68 T CA -0.482 61.612 62.100 -0.011 0.000 0.996 68 T CB 1.604 70.474 68.868 0.004 0.000 0.927 68 T HN 0.233 nan 8.240 nan 0.000 0.456 69 L N 3.868 125.106 121.223 0.024 0.000 2.416 69 L HA 0.207 4.562 4.340 0.025 0.000 0.272 69 L C 0.225 177.125 176.870 0.050 0.000 1.161 69 L CA 0.565 55.447 54.840 0.070 0.000 0.845 69 L CB 0.407 42.544 42.059 0.130 0.000 1.119 69 L HN 0.617 nan 8.230 nan 0.000 0.464 70 Q N 6.944 126.782 119.800 0.063 0.000 2.721 70 Q HA 0.257 4.612 4.340 0.025 0.000 0.257 70 Q C -1.745 174.276 176.000 0.035 0.000 1.070 70 Q CA -1.602 54.230 55.803 0.048 0.000 0.910 70 Q CB 0.907 29.681 28.738 0.060 0.000 1.163 70 Q HN 0.544 nan 8.270 nan 0.000 0.501 71 P HA -0.170 nan 4.420 nan 0.000 0.221 71 P C 0.532 177.822 177.300 -0.018 0.000 1.145 71 P CA 1.168 64.274 63.100 0.011 0.000 0.795 71 P CB 0.520 32.227 31.700 0.012 0.000 0.775 72 E N -0.532 119.653 120.200 -0.025 0.000 2.447 72 E HA 0.038 4.403 4.350 0.025 0.000 0.195 72 E C 0.712 177.255 176.600 -0.094 0.000 1.028 72 E CA 0.335 56.706 56.400 -0.047 0.000 0.876 72 E CB -0.058 29.624 29.700 -0.030 0.000 0.885 72 E HN 0.503 nan 8.360 nan 0.000 0.500 73 Q N 1.368 121.101 119.800 -0.111 0.000 2.406 73 Q HA 0.245 4.600 4.340 0.025 0.000 0.242 73 Q C -0.438 175.276 176.000 -0.476 0.000 1.036 73 Q CA 0.108 55.756 55.803 -0.258 0.000 0.904 73 Q CB 0.949 29.611 28.738 -0.128 0.000 1.244 73 Q HN -0.135 nan 8.270 nan 0.000 0.478 74 K N 2.675 122.708 120.400 -0.612 0.000 2.221 74 K HA 0.512 4.847 4.320 0.025 0.000 0.258 74 K C -0.827 175.333 176.600 -0.734 0.000 0.944 74 K CA -0.289 55.709 56.287 -0.482 0.000 0.823 74 K CB 1.317 33.695 32.500 -0.204 0.000 1.113 74 K HN 0.311 nan 8.250 nan 0.000 0.431 75 F N 0.159 120.131 119.950 0.037 0.000 3.168 75 F HA 0.174 4.715 4.527 0.024 0.000 0.237 75 F C 0.539 176.376 175.800 0.061 0.000 1.560 75 F CA -0.896 57.134 58.000 0.050 0.000 0.948 75 F CB -0.007 38.992 39.000 -0.000 0.000 1.885 75 F HN 0.351 nan 8.300 nan 0.000 0.360 76 Q N 2.360 122.338 119.800 0.297 0.000 2.340 76 Q HA 0.222 4.576 4.340 0.025 0.000 0.249 76 Q C -1.212 174.875 176.000 0.145 0.000 0.957 76 Q CA -0.142 55.774 55.803 0.188 0.000 0.882 76 Q CB 0.992 29.826 28.738 0.159 0.000 1.235 76 Q HN 0.468 nan 8.270 nan 0.000 0.439 77 K N 1.427 121.898 120.400 0.117 0.000 2.218 77 K HA 0.352 4.686 4.320 0.025 0.000 0.276 77 K C -0.526 176.124 176.600 0.082 0.000 1.022 77 K CA -0.681 55.662 56.287 0.092 0.000 0.946 77 K CB 1.458 34.003 32.500 0.075 0.000 1.000 77 K HN 0.426 nan 8.250 nan 0.000 0.468 78 V N 3.558 123.511 119.914 0.066 0.000 2.498 78 V HA 0.016 4.151 4.120 0.025 0.000 0.279 78 V C 1.268 177.353 176.094 -0.015 0.000 1.048 78 V CA -0.031 62.291 62.300 0.038 0.000 0.967 78 V CB 1.289 33.160 31.823 0.081 0.000 0.988 78 V HN 0.763 nan 8.190 nan 0.000 0.473 79 K N 3.777 124.144 120.400 -0.054 0.000 2.067 79 K HA 0.365 4.700 4.320 0.025 0.000 0.203 79 K C 0.735 177.201 176.600 -0.223 0.000 1.048 79 K CA 1.424 57.608 56.287 -0.171 0.000 0.954 79 K CB -0.018 32.327 32.500 -0.258 0.000 0.737 79 K HN 0.976 nan 8.250 nan 0.000 0.444 80 G N -2.044 106.602 108.800 -0.257 0.000 2.356 80 G HA2 0.255 4.229 3.960 0.025 0.000 0.266 80 G HA3 0.255 4.229 3.960 0.025 0.000 0.266 80 G C -1.575 172.965 174.900 -0.600 0.000 1.312 80 G CA -0.804 44.130 45.100 -0.277 0.000 0.922 80 G HN 0.032 nan 8.290 nan 0.000 0.480 81 F N -0.207 119.702 119.950 -0.067 0.000 2.619 81 F HA 0.821 5.364 4.527 0.027 0.000 0.308 81 F C 0.708 176.205 175.800 -0.505 0.000 1.097 81 F CA 0.437 58.330 58.000 -0.178 0.000 0.953 81 F CB 2.357 41.272 39.000 -0.142 0.000 1.287 81 F HN 1.301 nan 8.300 nan 0.000 0.446 82 G N -0.038 108.424 108.800 -0.562 0.000 2.428 82 G HA2 0.607 4.582 3.960 0.025 0.000 0.305 82 G HA3 0.607 4.582 3.960 0.025 0.000 0.305 82 G C -1.344 173.229 174.900 -0.545 0.000 1.260 82 G CA -0.032 44.483 45.100 -0.974 0.000 0.853 82 G HN 1.100 nan 8.290 nan 0.000 0.480 83 G N -1.715 106.977 108.800 -0.179 0.000 2.721 83 G HA2 0.786 4.760 3.960 0.025 0.000 0.296 83 G HA3 0.786 4.760 3.960 0.025 0.000 0.296 83 G C -1.155 173.792 174.900 0.078 0.000 1.383 83 G CA 0.457 45.550 45.100 -0.011 0.000 0.788 83 G HN 1.768 nan 8.290 nan 0.000 0.500 84 A N -0.195 122.673 122.820 0.080 0.000 2.276 84 A HA 0.623 4.958 4.320 0.025 0.000 0.316 84 A C -0.095 177.483 177.584 -0.009 0.000 1.229 84 A CA -0.602 51.496 52.037 0.102 0.000 0.851 84 A CB 1.176 20.299 19.000 0.205 0.000 1.165 84 A HN 0.648 nan 8.150 nan 0.000 0.513 85 M N 4.075 123.710 119.600 0.059 0.000 3.237 85 M HA 0.166 4.661 4.480 0.025 0.000 0.266 85 M C 0.793 177.097 176.300 0.007 0.000 1.456 85 M CA -0.057 55.263 55.300 0.033 0.000 1.593 85 M CB -1.070 31.577 32.600 0.080 0.000 1.129 85 M HN 0.781 nan 8.290 nan 0.000 0.547 86 T N -1.455 113.029 114.554 -0.116 0.000 2.788 86 T HA 0.269 4.634 4.350 0.025 0.000 0.280 86 T C 0.879 175.551 174.700 -0.047 0.000 0.984 86 T CA -0.712 61.302 62.100 -0.142 0.000 0.972 86 T CB 0.708 69.344 68.868 -0.385 0.000 1.039 86 T HN 0.453 nan 8.240 nan 0.000 0.530 87 D N 0.668 121.067 120.400 -0.003 0.000 2.104 87 D HA -0.064 4.590 4.640 0.025 0.000 0.194 87 D C 2.369 178.689 176.300 0.034 0.000 0.994 87 D CA 1.769 55.799 54.000 0.049 0.000 0.830 87 D CB -0.880 39.978 40.800 0.098 0.000 0.959 87 D HN 0.718 nan 8.370 nan 0.000 0.452 88 A N 1.158 124.002 122.820 0.039 0.000 1.858 88 A HA -0.080 4.255 4.320 0.025 0.000 0.216 88 A C 2.349 179.930 177.584 -0.006 0.000 1.190 88 A CA 2.586 54.660 52.037 0.061 0.000 0.617 88 A CB -0.956 18.162 19.000 0.197 0.000 0.827 88 A HN 0.241 nan 8.150 nan 0.000 0.443 89 A N -0.179 122.593 122.820 -0.081 0.000 1.883 89 A HA 0.094 4.428 4.320 0.025 0.000 0.217 89 A C 2.545 180.111 177.584 -0.030 0.000 1.186 89 A CA 2.484 54.473 52.037 -0.079 0.000 0.624 89 A CB -1.163 17.761 19.000 -0.128 0.000 0.822 89 A HN 1.160 nan 8.150 nan 0.000 0.444 90 A N -0.665 122.145 122.820 -0.016 0.000 1.902 90 A HA -0.052 4.283 4.320 0.025 0.000 0.217 90 A C 2.155 179.739 177.584 0.000 0.000 1.181 90 A CA 1.799 53.836 52.037 -0.000 0.000 0.623 90 A CB -0.639 18.369 19.000 0.015 0.000 0.818 90 A HN 0.750 nan 8.150 nan 0.000 0.443 91 L N 0.427 121.655 121.223 0.007 0.000 2.046 91 L HA -0.157 4.198 4.340 0.025 0.000 0.208 91 L C 1.838 178.712 176.870 0.005 0.000 1.077 91 L CA 2.211 57.057 54.840 0.011 0.000 0.747 91 L CB -0.719 41.355 42.059 0.024 0.000 0.896 91 L HN 0.346 nan 8.230 nan 0.000 0.432 92 N N -0.268 118.433 118.700 0.002 0.000 2.188 92 N HA -0.113 4.641 4.740 0.025 0.000 0.184 92 N C 1.959 177.457 175.510 -0.020 0.000 1.018 92 N CA 1.795 54.842 53.050 -0.005 0.000 0.858 92 N CB -0.167 38.315 38.487 -0.007 0.000 0.989 92 N HN 0.422 nan 8.380 nan 0.000 0.426 93 I N 0.939 121.492 120.570 -0.028 0.000 2.202 93 I HA -0.174 4.011 4.170 0.025 0.000 0.242 93 I C 1.777 177.875 176.117 -0.031 0.000 1.091 93 I CA 0.860 62.132 61.300 -0.048 0.000 1.368 93 I CB -0.064 37.911 38.000 -0.042 0.000 1.058 93 I HN 0.004 nan 8.210 nan 0.000 0.410 94 L N 0.343 121.557 121.223 -0.016 0.000 2.610 94 L HA 0.039 4.394 4.340 0.025 0.000 0.232 94 L C 2.195 179.063 176.870 -0.003 0.000 1.149 94 L CA 0.137 54.971 54.840 -0.008 0.000 0.872 94 L CB -0.337 41.718 42.059 -0.006 0.000 0.992 94 L HN 0.186 nan 8.230 nan 0.000 0.447 95 A N -0.372 122.447 122.820 -0.002 0.000 2.251 95 A HA 0.242 4.577 4.320 0.025 0.000 0.209 95 A C 0.921 178.510 177.584 0.009 0.000 1.187 95 A CA 0.042 52.081 52.037 0.004 0.000 0.823 95 A CB -0.129 18.875 19.000 0.006 0.000 0.846 95 A HN 0.254 nan 8.150 nan 0.000 0.486 96 L N 0.319 121.547 121.223 0.009 0.000 2.416 96 L HA 0.335 4.689 4.340 0.025 0.000 0.262 96 L C 0.972 177.856 176.870 0.022 0.000 1.093 96 L CA -0.660 54.194 54.840 0.024 0.000 0.801 96 L CB 1.145 43.230 42.059 0.044 0.000 1.191 96 L HN 0.282 nan 8.230 nan 0.000 0.459 97 S N -0.177 115.541 115.700 0.029 0.000 2.568 97 S HA 0.118 4.603 4.470 0.025 0.000 0.282 97 S C -1.929 172.686 174.600 0.026 0.000 1.338 97 S CA -0.951 57.264 58.200 0.024 0.000 1.045 97 S CB 0.668 63.883 63.200 0.024 0.000 0.873 97 S HN 0.414 nan 8.310 nan 0.000 0.516 98 P HA -0.109 nan 4.420 nan 0.000 0.218 98 P C -1.558 175.757 177.300 0.025 0.000 1.154 98 P CA 1.616 64.726 63.100 0.017 0.000 0.872 98 P CB -1.137 30.570 31.700 0.011 0.000 0.790 99 P HA -0.048 nan 4.420 nan 0.000 0.220 99 P C 1.365 178.704 177.300 0.064 0.000 1.152 99 P CA 1.597 64.719 63.100 0.036 0.000 0.812 99 P CB -0.578 31.140 31.700 0.029 0.000 0.792 100 A N -0.106 122.765 122.820 0.086 0.000 1.969 100 A HA -0.236 4.099 4.320 0.025 0.000 0.218 100 A C 2.184 179.848 177.584 0.132 0.000 1.169 100 A CA 1.415 53.558 52.037 0.176 0.000 0.635 100 A CB -1.234 17.876 19.000 0.184 0.000 0.810 100 A HN 0.182 nan 8.150 nan 0.000 0.445 101 Q N -0.064 119.762 119.800 0.042 0.000 2.096 101 Q HA -0.167 4.188 4.340 0.025 0.000 0.204 101 Q C 1.600 177.590 176.000 -0.016 0.000 0.982 101 Q CA 1.502 57.293 55.803 -0.020 0.000 0.850 101 Q CB -0.237 28.494 28.738 -0.011 0.000 0.901 101 Q HN 0.618 nan 8.270 nan 0.000 0.422 102 N N 0.341 119.054 118.700 0.022 0.000 2.331 102 N HA -0.050 4.705 4.740 0.025 0.000 0.180 102 N C 1.721 177.258 175.510 0.045 0.000 1.019 102 N CA 0.795 53.863 53.050 0.031 0.000 0.881 102 N CB -0.000 38.505 38.487 0.030 0.000 0.972 102 N HN 0.238 nan 8.380 nan 0.000 0.435 103 L N 0.462 121.731 121.223 0.076 0.000 2.072 103 L HA -0.029 4.326 4.340 0.025 0.000 0.205 103 L C 2.333 179.270 176.870 0.112 0.000 1.079 103 L CA 0.546 55.468 54.840 0.136 0.000 0.752 103 L CB -0.347 41.855 42.059 0.238 0.000 0.906 103 L HN 0.119 nan 8.230 nan 0.000 0.436 104 L N -0.232 120.901 121.223 -0.151 0.000 2.046 104 L HA -0.237 4.118 4.340 0.025 0.000 0.208 104 L C 2.444 179.203 176.870 -0.184 0.000 1.077 104 L CA 1.429 55.895 54.840 -0.625 0.000 0.747 104 L CB -0.052 41.410 42.059 -0.996 0.000 0.896 104 L HN 0.194 nan 8.230 nan 0.000 0.432 105 L N -0.619 120.602 121.223 -0.002 0.000 2.109 105 L HA -0.187 4.168 4.340 0.025 0.000 0.207 105 L C 2.515 179.542 176.870 0.261 0.000 1.086 105 L CA 1.161 56.135 54.840 0.224 0.000 0.760 105 L CB -0.382 41.771 42.059 0.157 0.000 0.910 105 L HN 0.204 nan 8.230 nan 0.000 0.437 106 K N -0.638 119.836 120.400 0.124 0.000 2.217 106 K HA -0.063 4.272 4.320 0.025 0.000 0.202 106 K C 2.306 178.951 176.600 0.075 0.000 1.051 106 K CA 0.846 57.201 56.287 0.112 0.000 0.952 106 K CB -0.003 32.538 32.500 0.070 0.000 0.736 106 K HN 0.077 nan 8.250 nan 0.000 0.453 107 S N 0.072 115.779 115.700 0.012 0.000 2.383 107 S HA -0.142 4.342 4.470 0.025 0.000 0.229 107 S C 1.560 176.128 174.600 -0.053 0.000 1.030 107 S CA 1.298 59.475 58.200 -0.038 0.000 1.002 107 S CB -0.137 62.917 63.200 -0.244 0.000 0.829 107 S HN 0.360 nan 8.310 nan 0.000 0.467 108 Y N -1.671 118.489 120.300 -0.233 0.000 2.441 108 Y HA 0.197 4.762 4.550 0.025 0.000 0.288 108 Y C 1.380 176.777 175.900 -0.838 0.000 1.118 108 Y CA 0.370 57.962 58.100 -0.847 0.000 1.215 108 Y CB 0.240 37.951 38.460 -1.249 0.000 1.118 108 Y HN 0.206 nan 8.280 nan 0.000 0.547 109 F N -1.318 118.688 119.950 0.094 0.000 2.720 109 F HA 0.146 4.689 4.527 0.026 0.000 0.301 109 F C 1.142 176.975 175.800 0.055 0.000 1.103 109 F CA -0.314 57.742 58.000 0.092 0.000 1.291 109 F CB 0.375 39.434 39.000 0.097 0.000 1.086 109 F HN -0.212 nan 8.300 nan 0.000 0.592 110 S N -0.254 115.541 115.700 0.159 0.000 2.722 110 S HA 0.221 4.705 4.470 0.025 0.000 0.292 110 S C 1.107 175.731 174.600 0.039 0.000 1.135 110 S CA -0.630 57.631 58.200 0.102 0.000 1.003 110 S CB 1.289 64.546 63.200 0.095 0.000 1.067 110 S HN 0.110 nan 8.310 nan 0.000 0.546 111 E N 0.744 120.956 120.200 0.021 0.000 2.347 111 E HA -0.058 4.307 4.350 0.025 0.000 0.196 111 E C 0.982 177.583 176.600 0.001 0.000 1.008 111 E CA 0.829 57.211 56.400 -0.030 0.000 0.852 111 E CB -0.153 29.529 29.700 -0.030 0.000 0.783 111 E HN 0.688 nan 8.360 nan 0.000 0.505 112 E N 0.230 120.475 120.200 0.075 0.000 2.478 112 E HA 0.078 4.443 4.350 0.025 0.000 0.194 112 E C 0.950 177.718 176.600 0.279 0.000 1.045 112 E CA 0.371 56.870 56.400 0.166 0.000 0.868 112 E CB 0.318 30.076 29.700 0.098 0.000 0.885 112 E HN 0.228 nan 8.360 nan 0.000 0.505 113 G N 0.403 109.313 108.800 0.184 0.000 3.194 113 G HA2 0.350 4.325 3.960 0.025 0.000 0.160 113 G HA3 0.350 4.325 3.960 0.025 0.000 0.160 113 G C 0.525 175.468 174.900 0.072 0.000 1.267 113 G CA -0.317 44.902 45.100 0.199 0.000 0.962 113 G HN 0.217 nan 8.290 nan 0.000 0.612 114 I N -2.173 118.328 120.570 -0.115 0.000 3.914 114 I HA 0.495 4.680 4.170 0.025 0.000 0.333 114 I C 1.079 177.042 176.117 -0.258 0.000 1.449 114 I CA 0.190 61.303 61.300 -0.312 0.000 1.135 114 I CB 0.285 37.981 38.000 -0.507 0.000 1.073 114 I HN 0.728 nan 8.210 nan 0.000 0.401 115 G N 1.616 110.320 108.800 -0.159 0.000 2.371 115 G HA2 -0.319 3.656 3.960 0.025 0.000 0.299 115 G HA3 -0.319 3.656 3.960 0.025 0.000 0.299 115 G C -0.123 174.839 174.900 0.104 0.000 1.014 115 G CA -0.018 45.052 45.100 -0.051 0.000 1.097 115 G HN 0.669 nan 8.290 nan 0.000 0.512 116 Y N 0.189 120.406 120.300 -0.139 0.000 2.497 116 Y HA 0.168 4.733 4.550 0.024 0.000 0.334 116 Y C 1.600 177.561 175.900 0.101 0.000 1.199 116 Y CA 0.169 58.212 58.100 -0.095 0.000 1.425 116 Y CB 0.732 38.928 38.460 -0.441 0.000 1.291 116 Y HN 0.499 nan 8.280 nan 0.000 0.562 117 N N 2.232 121.037 118.700 0.176 0.000 2.232 117 N HA 0.099 4.854 4.740 0.025 0.000 0.240 117 N C -1.264 174.274 175.510 0.046 0.000 1.307 117 N CA 0.171 53.298 53.050 0.129 0.000 0.859 117 N CB 0.433 38.953 38.487 0.055 0.000 1.260 117 N HN 0.268 nan 8.380 nan 0.000 0.501 118 I N 1.714 122.319 120.570 0.058 0.000 2.498 118 I HA 0.497 4.682 4.170 0.025 0.000 0.290 118 I C -0.464 175.743 176.117 0.151 0.000 1.032 118 I CA -0.806 60.529 61.300 0.059 0.000 1.073 118 I CB 2.049 40.084 38.000 0.060 0.000 1.251 118 I HN -0.040 nan 8.210 nan 0.000 0.426 119 I N 5.328 126.003 120.570 0.174 0.000 2.439 119 I HA 0.385 4.570 4.170 0.025 0.000 0.285 119 I C 0.192 176.444 176.117 0.225 0.000 1.021 119 I CA -0.701 60.716 61.300 0.194 0.000 1.091 119 I CB 2.014 40.098 38.000 0.141 0.000 1.242 119 I HN 0.485 nan 8.210 nan 0.000 0.439 120 R N 5.696 126.342 120.500 0.243 0.000 2.298 120 R HA 0.557 4.912 4.340 0.025 0.000 0.310 120 R C -1.364 175.118 176.300 0.303 0.000 1.068 120 R CA -0.286 55.994 56.100 0.300 0.000 0.957 120 R CB 0.998 31.483 30.300 0.307 0.000 1.003 120 R HN 0.447 nan 8.270 nan 0.000 0.454 121 V N 7.776 127.897 119.914 0.345 0.000 2.350 121 V HA 0.333 4.467 4.120 0.025 0.000 0.285 121 V C -2.181 174.059 176.094 0.243 0.000 1.014 121 V CA -2.274 60.218 62.300 0.320 0.000 0.831 121 V CB 1.517 33.617 31.823 0.460 0.000 1.000 121 V HN 0.841 nan 8.190 nan 0.000 0.433 122 P HA 0.206 nan 4.420 nan 0.000 0.268 122 P C -0.375 176.944 177.300 0.032 0.000 1.204 122 P CA 0.081 63.272 63.100 0.152 0.000 0.768 122 P CB 0.368 32.029 31.700 -0.064 0.000 0.842 123 M N 3.235 122.767 119.600 -0.113 0.000 2.261 123 M HA 0.462 4.957 4.480 0.025 0.000 0.349 123 M C 0.732 176.879 176.300 -0.254 0.000 1.305 123 M CA 0.074 55.197 55.300 -0.295 0.000 1.240 123 M CB -0.279 31.936 32.600 -0.641 0.000 1.394 123 M HN 0.585 nan 8.290 nan 0.000 0.438 124 A N 1.822 124.426 122.820 -0.359 0.000 5.818 124 A HA -0.166 4.169 4.320 0.025 0.000 0.265 124 A C 0.286 177.555 177.584 -0.525 0.000 2.155 124 A CA 0.461 52.151 52.037 -0.578 0.000 0.711 124 A CB -1.768 16.702 19.000 -0.884 0.000 1.085 124 A HN 0.905 nan 8.150 nan 0.000 0.357 125 S N -0.197 114.944 115.700 -0.932 0.000 2.584 125 S HA 0.633 5.118 4.470 0.025 0.000 0.273 125 S C 0.526 174.869 174.600 -0.429 0.000 1.311 125 S CA 0.116 57.878 58.200 -0.730 0.000 1.034 125 S CB 0.706 63.294 63.200 -1.021 0.000 0.939 125 S HN 2.444 nan 8.310 nan 0.000 0.513 126 C N 0.543 119.601 119.300 -0.403 0.000 3.455 126 C HA 0.654 5.129 4.460 0.025 0.000 0.357 126 C C 1.400 176.347 174.990 -0.072 0.000 3.109 126 C CA 0.046 58.776 59.018 -0.479 0.000 1.483 126 C CB 0.271 27.136 27.740 -1.458 0.000 3.542 126 C HN 0.835 nan 8.230 nan 0.000 0.511 127 D N 0.732 120.984 120.400 -0.247 0.000 2.149 127 D HA -0.085 4.570 4.640 0.025 0.000 0.201 127 D C 0.718 176.788 176.300 -0.383 0.000 0.972 127 D CA 1.059 54.789 54.000 -0.450 0.000 0.835 127 D CB -0.609 39.352 40.800 -1.398 0.000 0.966 127 D HN 0.558 nan 8.370 nan 0.000 0.476 128 F N 1.296 121.146 119.950 -0.167 0.000 2.783 128 F HA 0.286 4.828 4.527 0.025 0.000 0.338 128 F C 0.489 176.235 175.800 -0.089 0.000 1.178 128 F CA 0.044 57.959 58.000 -0.141 0.000 1.343 128 F CB -0.132 38.693 39.000 -0.290 0.000 1.496 128 F HN -0.235 nan 8.300 nan 0.000 0.583 129 S N 0.369 116.117 115.700 0.079 0.000 2.661 129 S HA 0.529 5.014 4.470 0.025 0.000 0.285 129 S C 0.616 175.294 174.600 0.129 0.000 1.138 129 S CA -0.716 57.535 58.200 0.086 0.000 0.855 129 S CB 1.835 65.031 63.200 -0.006 0.000 1.136 129 S HN 0.368 nan 8.310 nan 0.000 0.484 130 I N -0.758 119.868 120.570 0.094 0.000 4.025 130 I HA 0.484 4.669 4.170 0.025 0.000 0.336 130 I C -0.152 175.977 176.117 0.021 0.000 1.390 130 I CA -0.386 60.970 61.300 0.094 0.000 1.099 130 I CB -0.101 37.947 38.000 0.079 0.000 1.049 130 I HN 0.535 nan 8.210 nan 0.000 0.394 131 R N 0.103 120.562 120.500 -0.069 0.000 2.709 131 R HA 0.435 4.790 4.340 0.025 0.000 0.270 131 R C -0.610 175.477 176.300 -0.356 0.000 1.038 131 R CA -0.474 55.495 56.100 -0.217 0.000 0.872 131 R CB 0.289 30.554 30.300 -0.058 0.000 1.259 131 R HN 0.105 nan 8.270 nan 0.000 0.473 132 T N -0.777 113.430 114.554 -0.578 0.000 2.913 132 T HA 0.658 5.023 4.350 0.025 0.000 0.287 132 T C -0.487 174.088 174.700 -0.208 0.000 1.008 132 T CA -0.368 61.394 62.100 -0.563 0.000 1.067 132 T CB 0.620 69.065 68.868 -0.705 0.000 0.996 132 T HN 0.795 nan 8.240 nan 0.000 0.513 133 Y N -1.582 118.589 120.300 -0.215 0.000 2.643 133 Y HA 0.542 5.106 4.550 0.025 0.000 0.347 133 Y C -0.729 175.089 175.900 -0.137 0.000 1.208 133 Y CA -0.906 57.111 58.100 -0.138 0.000 1.245 133 Y CB 0.251 38.647 38.460 -0.106 0.000 1.369 133 Y HN 1.070 nan 8.280 nan 0.000 0.487 134 T N -1.787 112.806 114.554 0.065 0.000 2.858 134 T HA 0.448 4.813 4.350 0.025 0.000 0.285 134 T C -0.212 174.576 174.700 0.146 0.000 1.052 134 T CA -0.674 61.410 62.100 -0.026 0.000 1.009 134 T CB 1.168 70.049 68.868 0.022 0.000 1.241 134 T HN 0.792 nan 8.240 nan 0.000 0.542 135 Y N -0.052 120.319 120.300 0.118 0.000 2.561 135 Y HA 0.415 4.980 4.550 0.025 0.000 0.291 135 Y C 1.655 177.412 175.900 -0.239 0.000 1.141 135 Y CA -0.125 57.773 58.100 -0.336 0.000 1.303 135 Y CB 0.310 38.047 38.460 -1.205 0.000 1.015 135 Y HN 0.769 nan 8.280 nan 0.000 0.547 136 A N -0.304 122.710 122.820 0.323 0.000 3.370 136 A HA 0.256 4.591 4.320 0.025 0.000 0.295 136 A C -0.304 177.594 177.584 0.523 0.000 1.030 136 A CA -0.465 51.846 52.037 0.457 0.000 0.883 136 A CB -0.151 19.286 19.000 0.728 0.000 1.191 136 A HN 0.109 nan 8.150 nan 0.000 0.507 137 D N 0.403 121.010 120.400 0.343 0.000 2.348 137 D HA 0.019 4.674 4.640 0.025 0.000 0.211 137 D C 0.329 176.779 176.300 0.251 0.000 0.998 137 D CA 0.889 55.071 54.000 0.304 0.000 0.873 137 D CB 0.371 41.277 40.800 0.178 0.000 0.925 137 D HN 0.410 nan 8.370 nan 0.000 0.524 138 T N 3.656 118.312 114.554 0.169 0.000 2.761 138 T HA 0.133 4.498 4.350 0.025 0.000 0.287 138 T C -2.379 172.129 174.700 -0.321 0.000 0.931 138 T CA -1.022 61.070 62.100 -0.013 0.000 1.164 138 T CB 0.996 69.860 68.868 -0.007 0.000 0.876 138 T HN -0.037 nan 8.240 nan 0.000 0.534 139 P HA 0.133 nan 4.420 nan 0.000 0.266 139 P C 0.224 176.879 177.300 -1.074 0.000 1.195 139 P CA 0.174 62.879 63.100 -0.658 0.000 0.768 139 P CB 0.276 31.862 31.700 -0.189 0.000 0.838 140 D N -0.370 119.004 120.400 -1.711 0.000 3.012 140 D HA -0.194 4.461 4.640 0.025 0.000 0.222 140 D C -0.053 175.355 176.300 -1.486 0.000 1.167 140 D CA 1.155 54.325 54.000 -1.384 0.000 0.854 140 D CB -1.819 38.737 40.800 -0.406 0.000 1.107 140 D HN 0.462 nan 8.370 nan 0.000 0.421 141 D N -0.675 118.626 120.400 -1.831 0.000 2.845 141 D HA 0.118 4.773 4.640 0.025 0.000 0.235 141 D C 1.032 177.193 176.300 -0.232 0.000 1.158 141 D CA -0.237 53.361 54.000 -0.670 0.000 0.990 141 D CB -0.774 39.847 40.800 -0.299 0.000 1.094 141 D HN 0.177 nan 8.370 nan 0.000 0.486 142 F N 0.165 120.124 119.950 0.015 0.000 2.202 142 F HA -0.165 4.377 4.527 0.025 0.000 0.301 142 F C 2.405 178.358 175.800 0.256 0.000 1.082 142 F CA 0.794 58.955 58.000 0.269 0.000 1.313 142 F CB -0.054 39.039 39.000 0.156 0.000 1.024 142 F HN 0.266 nan 8.300 nan 0.000 0.495 143 Q N 0.085 120.084 119.800 0.331 0.000 2.488 143 Q HA 0.012 4.367 4.340 0.025 0.000 0.211 143 Q C 1.109 177.273 176.000 0.273 0.000 0.967 143 Q CA 0.438 56.400 55.803 0.265 0.000 0.926 143 Q CB -0.104 28.758 28.738 0.207 0.000 0.992 143 Q HN 0.529 nan 8.270 nan 0.000 0.506 144 L N 0.353 121.774 121.223 0.331 0.000 3.717 144 L HA -0.301 4.054 4.340 0.025 0.000 0.414 144 L C 1.086 178.139 176.870 0.305 0.000 1.228 144 L CA 0.346 55.410 54.840 0.374 0.000 0.918 144 L CB -1.744 40.540 42.059 0.374 0.000 1.865 144 L HN 0.331 nan 8.230 nan 0.000 0.922 145 H N 0.488 119.664 119.070 0.177 0.000 2.423 145 H HA -0.003 4.568 4.556 0.025 0.000 0.297 145 H C 1.630 177.045 175.328 0.146 0.000 1.075 145 H CA 2.065 58.191 56.048 0.130 0.000 1.342 145 H CB 0.294 30.105 29.762 0.083 0.000 1.395 145 H HN 0.465 nan 8.280 nan 0.000 0.530 146 N N 0.081 118.913 118.700 0.219 0.000 2.279 146 N HA -0.030 4.725 4.740 0.025 0.000 0.226 146 N C -0.782 174.854 175.510 0.210 0.000 1.126 146 N CA -0.156 52.992 53.050 0.164 0.000 0.846 146 N CB 0.102 38.683 38.487 0.156 0.000 1.050 146 N HN 0.195 nan 8.380 nan 0.000 0.502 147 F N 2.826 122.840 119.950 0.106 0.000 2.543 147 F HA 0.047 4.589 4.527 0.025 0.000 0.375 147 F C 0.613 176.434 175.800 0.035 0.000 1.075 147 F CA 0.017 58.082 58.000 0.108 0.000 1.225 147 F CB 0.445 39.489 39.000 0.074 0.000 1.099 147 F HN -0.048 nan 8.300 nan 0.000 0.561 148 S N 5.614 121.198 115.700 -0.194 0.000 2.587 148 S HA 0.559 5.044 4.470 0.025 0.000 0.269 148 S C -1.318 173.115 174.600 -0.279 0.000 1.154 148 S CA -1.277 56.855 58.200 -0.114 0.000 0.824 148 S CB 1.026 64.221 63.200 -0.008 0.000 1.118 148 S HN 0.659 nan 8.310 nan 0.000 0.462 149 L N 2.339 123.437 121.223 -0.208 0.000 2.331 149 L HA 0.494 4.849 4.340 0.025 0.000 0.278 149 L C -1.752 175.085 176.870 -0.055 0.000 1.106 149 L CA -1.548 53.188 54.840 -0.172 0.000 0.824 149 L CB 0.321 42.276 42.059 -0.173 0.000 1.142 149 L HN 0.594 nan 8.230 nan 0.000 0.443 150 P HA 0.199 nan 4.420 nan 0.000 0.297 150 P C -0.021 177.214 177.300 -0.109 0.000 1.307 150 P CA -0.518 62.511 63.100 -0.118 0.000 0.773 150 P CB 0.977 32.480 31.700 -0.328 0.000 1.265 151 E N -0.501 119.619 120.200 -0.134 0.000 2.208 151 E HA -0.150 4.215 4.350 0.025 0.000 0.193 151 E C 1.631 178.186 176.600 -0.075 0.000 0.988 151 E CA 0.806 57.151 56.400 -0.092 0.000 0.828 151 E CB -0.119 29.532 29.700 -0.080 0.000 0.763 151 E HN 0.445 nan 8.360 nan 0.000 0.478 152 E N 1.136 121.276 120.200 -0.100 0.000 2.114 152 E HA -0.233 4.132 4.350 0.025 0.000 0.199 152 E C 1.309 177.941 176.600 0.054 0.000 1.008 152 E CA 1.949 58.341 56.400 -0.012 0.000 0.810 152 E CB -0.070 29.642 29.700 0.020 0.000 0.739 152 E HN 0.313 nan 8.360 nan 0.000 0.456 153 D N -1.421 119.019 120.400 0.067 0.000 2.146 153 D HA -0.084 4.571 4.640 0.025 0.000 0.209 153 D C 2.013 178.235 176.300 -0.130 0.000 0.973 153 D CA 1.924 55.953 54.000 0.049 0.000 0.860 153 D CB -0.382 40.486 40.800 0.113 0.000 1.015 153 D HN 0.281 nan 8.370 nan 0.000 0.465 154 T N -1.630 112.824 114.554 -0.165 0.000 2.995 154 T HA 0.021 4.386 4.350 0.025 0.000 0.269 154 T C 1.552 176.182 174.700 -0.117 0.000 1.091 154 T CA 0.660 62.624 62.100 -0.227 0.000 1.128 154 T CB 0.113 68.902 68.868 -0.132 0.000 0.891 154 T HN -0.117 nan 8.240 nan 0.000 0.492 155 K N 0.057 120.415 120.400 -0.071 0.000 2.370 155 K HA 0.448 4.783 4.320 0.025 0.000 0.194 155 K C 1.716 178.299 176.600 -0.028 0.000 1.070 155 K CA 0.188 56.451 56.287 -0.040 0.000 0.998 155 K CB 0.274 32.755 32.500 -0.032 0.000 0.911 155 K HN 0.374 nan 8.250 nan 0.000 0.533 156 L N 0.084 121.292 121.223 -0.024 0.000 2.630 156 L HA 0.142 4.497 4.340 0.025 0.000 0.180 156 L C 2.100 178.969 176.870 -0.002 0.000 1.221 156 L CA 0.369 55.205 54.840 -0.007 0.000 0.853 156 L CB -0.303 41.759 42.059 0.006 0.000 1.172 156 L HN -0.165 nan 8.230 nan 0.000 0.508 157 K N 0.596 121.008 120.400 0.020 0.000 2.001 157 K HA -0.053 4.282 4.320 0.025 0.000 0.208 157 K C 2.038 178.635 176.600 -0.006 0.000 1.048 157 K CA 1.508 57.824 56.287 0.048 0.000 0.932 157 K CB -0.214 32.379 32.500 0.155 0.000 0.715 157 K HN 0.139 nan 8.250 nan 0.000 0.437 158 I N 1.181 121.704 120.570 -0.079 0.000 2.099 158 I HA -0.214 3.970 4.170 0.025 0.000 0.239 158 I C -0.936 175.112 176.117 -0.115 0.000 1.066 158 I CA 1.205 62.381 61.300 -0.207 0.000 1.324 158 I CB -1.292 36.436 38.000 -0.454 0.000 1.037 158 I HN 0.102 nan 8.210 nan 0.000 0.401 159 P HA -0.172 nan 4.420 nan 0.000 0.216 159 P C 1.991 179.304 177.300 0.022 0.000 1.150 159 P CA 1.605 64.745 63.100 0.066 0.000 0.843 159 P CB -0.088 31.629 31.700 0.029 0.000 0.787 160 L N -1.506 119.703 121.223 -0.024 0.000 2.141 160 L HA -0.111 4.244 4.340 0.025 0.000 0.209 160 L C 2.479 179.281 176.870 -0.113 0.000 1.094 160 L CA 1.134 55.945 54.840 -0.049 0.000 0.763 160 L CB -0.616 41.423 42.059 -0.034 0.000 0.908 160 L HN -0.082 nan 8.230 nan 0.000 0.437 161 I N -1.190 119.297 120.570 -0.137 0.000 2.286 161 I HA -0.274 3.911 4.170 0.025 0.000 0.245 161 I C 2.318 178.310 176.117 -0.208 0.000 1.104 161 I CA 1.113 62.284 61.300 -0.216 0.000 1.397 161 I CB -0.424 37.460 38.000 -0.193 0.000 1.072 161 I HN 0.235 nan 8.210 nan 0.000 0.417 162 H N 0.494 119.503 119.070 -0.101 0.000 2.353 162 H HA -0.149 4.422 4.556 0.025 0.000 0.298 162 H C 2.475 177.746 175.328 -0.095 0.000 1.103 162 H CA 1.510 57.507 56.048 -0.085 0.000 1.293 162 H CB 0.012 29.739 29.762 -0.059 0.000 1.372 162 H HN 0.177 nan 8.280 nan 0.000 0.501 163 R N 0.080 120.591 120.500 0.019 0.000 2.075 163 R HA -0.056 4.299 4.340 0.025 0.000 0.232 163 R C 2.603 178.847 176.300 -0.093 0.000 1.126 163 R CA 0.884 56.969 56.100 -0.025 0.000 0.963 163 R CB -0.157 30.131 30.300 -0.020 0.000 0.858 163 R HN 0.284 nan 8.270 nan 0.000 0.435 164 A N 1.251 123.927 122.820 -0.240 0.000 1.877 164 A HA -0.136 4.199 4.320 0.025 0.000 0.216 164 A C 2.136 179.547 177.584 -0.288 0.000 1.186 164 A CA 1.196 52.929 52.037 -0.506 0.000 0.620 164 A CB -0.581 17.692 19.000 -1.211 0.000 0.822 164 A HN 0.174 nan 8.150 nan 0.000 0.443 165 L N -0.874 120.229 121.223 -0.199 0.000 2.141 165 L HA -0.212 4.143 4.340 0.025 0.000 0.209 165 L C 2.839 179.699 176.870 -0.016 0.000 1.094 165 L CA 1.791 56.583 54.840 -0.080 0.000 0.763 165 L CB -0.638 41.386 42.059 -0.059 0.000 0.908 165 L HN 0.570 nan 8.230 nan 0.000 0.437 166 Q N 0.968 120.762 119.800 -0.010 0.000 2.119 166 Q HA -0.151 4.204 4.340 0.025 0.000 0.201 166 Q C 2.075 178.090 176.000 0.026 0.000 0.972 166 Q CA 1.602 57.411 55.803 0.011 0.000 0.847 166 Q CB -0.274 28.470 28.738 0.010 0.000 0.903 166 Q HN 0.483 nan 8.270 nan 0.000 0.433 167 L N 0.155 121.399 121.223 0.035 0.000 2.291 167 L HA 0.180 4.535 4.340 0.025 0.000 0.214 167 L C 0.735 177.670 176.870 0.108 0.000 1.120 167 L CA 0.128 55.014 54.840 0.077 0.000 0.799 167 L CB -0.430 41.696 42.059 0.113 0.000 0.925 167 L HN 0.166 nan 8.230 nan 0.000 0.446 168 A N -0.377 122.511 122.820 0.113 0.000 2.363 168 A HA 0.211 4.546 4.320 0.025 0.000 0.270 168 A C 0.863 178.493 177.584 0.077 0.000 1.121 168 A CA -0.456 51.660 52.037 0.133 0.000 0.800 168 A CB 0.671 19.768 19.000 0.163 0.000 1.052 168 A HN 0.184 nan 8.150 nan 0.000 0.493 169 Q N 1.645 121.483 119.800 0.064 0.000 2.061 169 Q HA -0.034 4.321 4.340 0.025 0.000 0.195 169 Q C 0.241 176.265 176.000 0.039 0.000 0.967 169 Q CA 0.795 56.623 55.803 0.043 0.000 0.829 169 Q CB -0.210 28.547 28.738 0.032 0.000 0.900 169 Q HN 0.799 nan 8.270 nan 0.000 0.450 170 R N 2.122 122.647 120.500 0.041 0.000 2.697 170 R HA 0.036 4.391 4.340 0.025 0.000 0.265 170 R C -2.196 174.123 176.300 0.032 0.000 1.009 170 R CA -0.998 55.121 56.100 0.032 0.000 1.099 170 R CB -0.630 29.689 30.300 0.032 0.000 0.965 170 R HN 0.086 nan 8.270 nan 0.000 0.428 171 P HA -0.031 nan 4.420 nan 0.000 0.265 171 P C -0.788 176.508 177.300 -0.006 0.000 1.193 171 P CA 0.119 63.218 63.100 -0.003 0.000 0.765 171 P CB 0.551 32.238 31.700 -0.022 0.000 0.823 172 V N 2.880 122.792 119.914 -0.003 0.000 2.513 172 V HA 0.327 4.462 4.120 0.025 0.000 0.299 172 V C 0.313 176.383 176.094 -0.040 0.000 1.035 172 V CA -0.334 61.969 62.300 0.005 0.000 0.889 172 V CB 1.839 33.684 31.823 0.036 0.000 0.988 172 V HN 0.438 nan 8.190 nan 0.000 0.440 173 S N 5.104 120.765 115.700 -0.065 0.000 2.433 173 S HA 0.641 5.126 4.470 0.025 0.000 0.310 173 S C -0.400 174.256 174.600 0.092 0.000 1.097 173 S CA -0.477 57.699 58.200 -0.040 0.000 1.103 173 S CB 0.687 63.685 63.200 -0.337 0.000 0.992 173 S HN 0.494 nan 8.310 nan 0.000 0.469 174 L N 3.743 125.005 121.223 0.065 0.000 2.292 174 L HA 0.565 4.920 4.340 0.025 0.000 0.284 174 L C -0.510 176.607 176.870 0.412 0.000 1.065 174 L CA -0.768 54.083 54.840 0.017 0.000 0.806 174 L CB 0.703 42.363 42.059 -0.666 0.000 1.175 174 L HN 0.430 nan 8.230 nan 0.000 0.431 175 L N 3.579 125.103 121.223 0.501 0.000 2.349 175 L HA 0.794 5.149 4.340 0.025 0.000 0.278 175 L C -0.317 176.802 176.870 0.415 0.000 0.996 175 L CA -0.084 55.026 54.840 0.451 0.000 0.825 175 L CB 1.465 43.758 42.059 0.390 0.000 1.243 175 L HN 0.663 nan 8.230 nan 0.000 0.412 176 A N 3.397 126.338 122.820 0.202 0.000 2.324 176 A HA 0.898 5.233 4.320 0.025 0.000 0.330 176 A C -0.679 176.864 177.584 -0.067 0.000 1.165 176 A CA -0.444 51.560 52.037 -0.054 0.000 0.813 176 A CB 0.991 19.614 19.000 -0.628 0.000 1.197 176 A HN 0.717 nan 8.150 nan 0.000 0.484 177 S N 2.980 118.681 115.700 0.002 0.000 2.571 177 S HA 0.700 5.185 4.470 0.025 0.000 0.284 177 S C -3.069 171.597 174.600 0.110 0.000 1.128 177 S CA -1.033 57.183 58.200 0.025 0.000 0.970 177 S CB 2.046 65.278 63.200 0.053 0.000 1.039 177 S HN 0.632 nan 8.310 nan 0.000 0.485 178 P HA 0.273 nan 4.420 nan 0.000 0.286 178 P C -0.009 177.449 177.300 0.264 0.000 1.261 178 P CA -0.631 62.560 63.100 0.152 0.000 0.821 178 P CB 1.100 32.861 31.700 0.102 0.000 1.013 179 W N 0.650 121.951 121.300 0.002 0.000 2.644 179 W HA 0.053 4.728 4.660 0.024 0.000 0.279 179 W C 0.665 177.155 176.519 -0.049 0.000 1.164 179 W CA 0.597 57.961 57.345 0.031 0.000 1.457 179 W CB 0.471 29.998 29.460 0.113 0.000 1.087 179 W HN 0.236 nan 8.180 nan 0.000 0.573 180 T N 0.252 114.868 114.554 0.103 0.000 2.906 180 T HA 0.327 4.691 4.350 0.025 0.000 0.295 180 T C -0.039 174.404 174.700 -0.428 0.000 1.061 180 T CA -0.417 61.575 62.100 -0.180 0.000 1.000 180 T CB 1.501 70.275 68.868 -0.156 0.000 1.103 180 T HN -0.060 nan 8.240 nan 0.000 0.486 181 S N 3.871 119.013 115.700 -0.930 0.000 2.624 181 S HA 0.565 5.050 4.470 0.025 0.000 0.263 181 S C -2.646 171.526 174.600 -0.712 0.000 1.287 181 S CA -1.101 56.326 58.200 -1.289 0.000 0.990 181 S CB 0.107 62.207 63.200 -1.833 0.000 0.950 181 S HN 0.536 nan 8.310 nan 0.000 0.561 182 P HA 0.011 nan 4.420 nan 0.000 0.266 182 P C 1.181 178.087 177.300 -0.656 0.000 1.186 182 P CA 0.334 63.087 63.100 -0.577 0.000 0.767 182 P CB 0.238 31.390 31.700 -0.913 0.000 0.820 183 T N -1.098 113.241 114.554 -0.358 0.000 2.951 183 T HA -0.129 4.236 4.350 0.025 0.000 0.268 183 T C 1.428 176.020 174.700 -0.179 0.000 1.073 183 T CA 0.590 62.552 62.100 -0.229 0.000 1.134 183 T CB -0.782 68.040 68.868 -0.075 0.000 0.884 183 T HN 0.571 nan 8.240 nan 0.000 0.479 184 W N 1.484 122.731 121.300 -0.088 0.000 2.538 184 W HA 0.200 4.875 4.660 0.025 0.000 0.254 184 W C 0.916 177.420 176.519 -0.024 0.000 1.249 184 W CA -0.202 57.110 57.345 -0.055 0.000 1.253 184 W CB -0.950 28.472 29.460 -0.063 0.000 1.130 184 W HN 0.266 nan 8.180 nan 0.000 0.618 185 L N 0.693 121.630 121.223 -0.477 0.000 2.567 185 L HA 0.155 4.510 4.340 0.025 0.000 0.225 185 L C 0.722 177.365 176.870 -0.378 0.000 1.119 185 L CA 0.713 55.339 54.840 -0.356 0.000 0.871 185 L CB -0.280 41.407 42.059 -0.619 0.000 1.036 185 L HN -0.248 nan 8.230 nan 0.000 0.459 186 K N -0.750 119.437 120.400 -0.356 0.000 2.156 186 K HA 0.244 4.579 4.320 0.025 0.000 0.254 186 K C 1.164 177.607 176.600 -0.261 0.000 0.950 186 K CA -0.063 56.012 56.287 -0.354 0.000 0.849 186 K CB 1.684 33.976 32.500 -0.347 0.000 1.100 186 K HN -0.113 nan 8.250 nan 0.000 0.434 187 T N -1.990 112.413 114.554 -0.252 0.000 2.915 187 T HA -0.153 4.212 4.350 0.025 0.000 0.269 187 T C 1.138 175.758 174.700 -0.134 0.000 1.071 187 T CA 1.331 63.317 62.100 -0.190 0.000 1.132 187 T CB -0.247 68.518 68.868 -0.171 0.000 0.878 187 T HN 0.683 nan 8.240 nan 0.000 0.479 188 N N 1.056 119.675 118.700 -0.135 0.000 2.236 188 N HA 0.171 4.926 4.740 0.025 0.000 0.196 188 N C 1.571 177.035 175.510 -0.076 0.000 1.114 188 N CA 0.606 53.599 53.050 -0.095 0.000 0.859 188 N CB -0.263 38.169 38.487 -0.093 0.000 0.982 188 N HN 0.597 nan 8.380 nan 0.000 0.493 189 G N -0.127 108.621 108.800 -0.087 0.000 2.187 189 G HA2 -0.164 3.811 3.960 0.025 0.000 0.261 189 G HA3 -0.164 3.811 3.960 0.025 0.000 0.261 189 G C 0.126 174.996 174.900 -0.050 0.000 1.000 189 G CA 0.634 45.703 45.100 -0.053 0.000 0.718 189 G HN 0.906 nan 8.290 nan 0.000 0.519 190 A N -1.653 121.123 122.820 -0.073 0.000 2.527 190 A HA 0.887 5.222 4.320 0.025 0.000 0.293 190 A C 1.235 178.773 177.584 -0.077 0.000 1.117 190 A CA 0.345 52.350 52.037 -0.052 0.000 0.723 190 A CB 1.212 20.199 19.000 -0.022 0.000 1.313 190 A HN 1.435 nan 8.150 nan 0.000 0.411 191 V N -1.163 118.723 119.914 -0.046 0.000 2.788 191 V HA 0.098 4.233 4.120 0.025 0.000 0.251 191 V C 0.641 176.747 176.094 0.021 0.000 1.068 191 V CA 1.594 63.864 62.300 -0.051 0.000 1.090 191 V CB -1.486 30.301 31.823 -0.059 0.000 0.710 191 V HN 0.918 nan 8.190 nan 0.000 0.467 192 N N 0.461 119.202 118.700 0.069 0.000 2.989 192 N HA 0.706 5.461 4.740 0.025 0.000 0.338 192 N C 0.349 175.880 175.510 0.035 0.000 1.369 192 N CA 0.175 53.288 53.050 0.105 0.000 0.794 192 N CB 0.729 39.328 38.487 0.187 0.000 1.359 192 N HN 0.907 nan 8.380 nan 0.000 0.609 193 G N -0.992 107.835 108.800 0.044 0.000 2.710 193 G HA2 -0.115 3.860 3.960 0.025 0.000 0.668 193 G HA3 -0.115 3.860 3.960 0.025 0.000 0.668 193 G C -1.148 173.741 174.900 -0.018 0.000 1.320 193 G CA -0.302 44.803 45.100 0.009 0.000 0.860 193 G HN 0.843 nan 8.290 nan 0.000 0.538 194 K N 0.424 120.802 120.400 -0.037 0.000 2.258 194 K HA 0.608 4.943 4.320 0.025 0.000 0.284 194 K C 0.303 176.843 176.600 -0.100 0.000 1.051 194 K CA 0.257 56.502 56.287 -0.070 0.000 0.923 194 K CB 0.588 33.056 32.500 -0.053 0.000 1.046 194 K HN 2.062 nan 8.250 nan 0.000 0.474 195 G N 1.764 110.477 108.800 -0.144 0.000 2.443 195 G HA2 0.233 4.207 3.960 0.025 0.000 0.303 195 G HA3 0.233 4.207 3.960 0.025 0.000 0.303 195 G C -1.342 173.399 174.900 -0.265 0.000 1.613 195 G CA -0.476 44.515 45.100 -0.181 0.000 0.879 195 G HN 0.700 nan 8.290 nan 0.000 0.632 196 S N 0.577 116.099 115.700 -0.297 0.000 2.851 196 S HA 0.829 5.313 4.470 0.025 0.000 0.317 196 S C 0.018 174.345 174.600 -0.454 0.000 1.144 196 S CA -1.016 56.919 58.200 -0.441 0.000 0.862 196 S CB 1.026 63.995 63.200 -0.385 0.000 1.259 196 S HN 0.798 nan 8.310 nan 0.000 0.564 197 L N 1.418 122.292 121.223 -0.583 0.000 2.483 197 L HA 0.262 4.617 4.340 0.025 0.000 0.276 197 L C 0.650 177.334 176.870 -0.312 0.000 1.213 197 L CA -0.135 54.380 54.840 -0.542 0.000 0.843 197 L CB 0.221 41.806 42.059 -0.790 0.000 1.107 197 L HN 0.669 nan 8.230 nan 0.000 0.487 198 K N 1.300 121.461 120.400 -0.397 0.000 2.138 198 K HA 0.450 4.785 4.320 0.025 0.000 0.251 198 K C 0.676 177.196 176.600 -0.134 0.000 1.015 198 K CA 0.405 56.419 56.287 -0.454 0.000 0.917 198 K CB 0.646 32.507 32.500 -1.065 0.000 1.021 198 K HN 0.800 nan 8.250 nan 0.000 0.485 199 G N 0.446 109.217 108.800 -0.048 0.000 2.552 199 G HA2 -0.230 3.745 3.960 0.025 0.000 0.265 199 G HA3 -0.230 3.745 3.960 0.025 0.000 0.265 199 G C -1.042 173.944 174.900 0.144 0.000 1.234 199 G CA -0.399 44.800 45.100 0.165 0.000 0.944 199 G HN 0.436 nan 8.290 nan 0.000 0.568 200 Q N 0.268 120.112 119.800 0.073 0.000 2.372 200 Q HA 0.551 4.906 4.340 0.025 0.000 0.273 200 Q C -2.548 173.123 176.000 -0.549 0.000 1.078 200 Q CA -1.695 53.987 55.803 -0.201 0.000 0.806 200 Q CB 1.723 30.399 28.738 -0.104 0.000 1.332 200 Q HN 0.366 nan 8.270 nan 0.000 0.435 201 P HA -0.048 nan 4.420 nan 0.000 0.261 201 P C 0.678 177.887 177.300 -0.151 0.000 1.158 201 P CA 1.931 64.746 63.100 -0.475 0.000 0.758 201 P CB 0.331 31.962 31.700 -0.115 0.000 0.763 202 G N 1.609 110.415 108.800 0.009 0.000 2.232 202 G HA2 -0.186 3.789 3.960 0.025 0.000 0.226 202 G HA3 -0.186 3.789 3.960 0.025 0.000 0.226 202 G C 0.152 175.103 174.900 0.084 0.000 0.996 202 G CA 0.283 45.412 45.100 0.049 0.000 0.626 202 G HN 0.717 nan 8.290 nan 0.000 0.509 203 D N 0.089 120.560 120.400 0.119 0.000 2.506 203 D HA 0.509 5.163 4.640 0.025 0.000 0.272 203 D C 1.779 178.186 176.300 0.179 0.000 1.214 203 D CA -0.386 53.692 54.000 0.131 0.000 1.067 203 D CB 0.444 41.336 40.800 0.154 0.000 1.117 203 D HN 0.277 nan 8.370 nan 0.000 0.578 204 I N -0.618 119.969 120.570 0.028 0.000 2.226 204 I HA -0.281 3.904 4.170 0.025 0.000 0.245 204 I C 1.708 177.880 176.117 0.092 0.000 1.100 204 I CA 1.107 62.355 61.300 -0.087 0.000 1.374 204 I CB -0.110 37.615 38.000 -0.457 0.000 1.057 204 I HN 0.293 nan 8.210 nan 0.000 0.413 205 Y N 0.553 121.042 120.300 0.315 0.000 2.097 205 Y HA -0.324 4.241 4.550 0.025 0.000 0.282 205 Y C 2.641 178.705 175.900 0.272 0.000 1.152 205 Y CA 2.300 60.602 58.100 0.337 0.000 1.136 205 Y CB -1.250 37.341 38.460 0.217 0.000 0.975 205 Y HN 0.289 nan 8.280 nan 0.000 0.498 206 H N -1.036 118.295 119.070 0.436 0.000 2.353 206 H HA -0.142 4.429 4.556 0.025 0.000 0.300 206 H C 2.183 177.799 175.328 0.480 0.000 1.090 206 H CA 1.658 57.989 56.048 0.471 0.000 1.327 206 H CB -0.072 29.956 29.762 0.442 0.000 1.383 206 H HN 0.196 nan 8.280 nan 0.000 0.508 207 Q N -0.164 119.903 119.800 0.446 0.000 2.046 207 Q HA -0.080 4.274 4.340 0.025 0.000 0.200 207 Q C 2.384 178.587 176.000 0.339 0.000 0.975 207 Q CA 1.592 57.584 55.803 0.314 0.000 0.836 207 Q CB -0.589 28.272 28.738 0.205 0.000 0.896 207 Q HN 0.469 nan 8.270 nan 0.000 0.428 208 T N 0.733 115.526 114.554 0.398 0.000 2.684 208 T HA -0.187 4.178 4.350 0.025 0.000 0.267 208 T C 1.262 176.264 174.700 0.503 0.000 1.036 208 T CA 1.217 63.594 62.100 0.462 0.000 1.148 208 T CB -0.457 68.769 68.868 0.596 0.000 0.863 208 T HN 0.525 nan 8.240 nan 0.000 0.436 209 W N 1.591 123.049 121.300 0.263 0.000 2.363 209 W HA -0.124 4.551 4.660 0.025 0.000 0.296 209 W C 2.466 179.275 176.519 0.483 0.000 1.212 209 W CA 0.850 58.333 57.345 0.228 0.000 1.260 209 W CB -0.186 29.296 29.460 0.038 0.000 1.131 209 W HN 0.299 nan 8.180 nan 0.000 0.530 210 A N 0.937 124.008 122.820 0.418 0.000 1.930 210 A HA -0.156 4.179 4.320 0.025 0.000 0.217 210 A C 1.946 179.623 177.584 0.154 0.000 1.175 210 A CA 1.335 53.475 52.037 0.171 0.000 0.627 210 A CB -0.754 18.272 19.000 0.044 0.000 0.815 210 A HN 0.338 nan 8.150 nan 0.000 0.443 211 R N -2.212 118.413 120.500 0.209 0.000 2.148 211 R HA -0.104 4.251 4.340 0.025 0.000 0.227 211 R C 2.006 178.408 176.300 0.169 0.000 1.103 211 R CA 1.350 57.549 56.100 0.165 0.000 0.983 211 R CB -0.440 29.961 30.300 0.168 0.000 0.874 211 R HN 0.747 nan 8.270 nan 0.000 0.451 212 Y N 0.460 120.824 120.300 0.107 0.000 2.165 212 Y HA -0.272 4.292 4.550 0.025 0.000 0.286 212 Y C 1.674 177.578 175.900 0.007 0.000 1.155 212 Y CA 1.467 59.625 58.100 0.097 0.000 1.164 212 Y CB -0.157 38.432 38.460 0.214 0.000 0.978 212 Y HN -0.110 nan 8.280 nan 0.000 0.513 213 F N -0.767 119.183 119.950 -0.001 0.000 2.095 213 F HA -0.277 4.265 4.527 0.025 0.000 0.298 213 F C 2.354 178.135 175.800 -0.032 0.000 1.104 213 F CA 1.754 59.718 58.000 -0.060 0.000 1.232 213 F CB -1.012 37.882 39.000 -0.177 0.000 0.987 213 F HN -0.111 nan 8.300 nan 0.000 0.475 214 V N -0.246 119.757 119.914 0.147 0.000 2.427 214 V HA -0.228 3.907 4.120 0.025 0.000 0.248 214 V C 2.388 178.451 176.094 -0.050 0.000 1.051 214 V CA 1.488 63.835 62.300 0.079 0.000 1.048 214 V CB -0.484 31.392 31.823 0.087 0.000 0.666 214 V HN 0.228 nan 8.190 nan 0.000 0.456 215 K N -0.528 119.730 120.400 -0.237 0.000 2.097 215 K HA -0.137 4.198 4.320 0.025 0.000 0.205 215 K C 2.079 178.353 176.600 -0.543 0.000 1.050 215 K CA 1.416 57.325 56.287 -0.631 0.000 0.938 215 K CB -0.505 31.209 32.500 -1.310 0.000 0.718 215 K HN 0.507 nan 8.250 nan 0.000 0.442 216 F N 2.208 121.951 119.950 -0.346 0.000 2.095 216 F HA -0.212 4.330 4.527 0.025 0.000 0.298 216 F C 1.960 177.704 175.800 -0.093 0.000 1.104 216 F CA 1.397 59.362 58.000 -0.058 0.000 1.232 216 F CB -0.361 38.593 39.000 -0.077 0.000 0.987 216 F HN -0.126 nan 8.300 nan 0.000 0.475 217 L N -0.025 121.034 121.223 -0.274 0.000 2.046 217 L HA -0.217 4.138 4.340 0.025 0.000 0.208 217 L C 2.207 178.856 176.870 -0.369 0.000 1.077 217 L CA 1.389 55.932 54.840 -0.495 0.000 0.747 217 L CB -0.953 40.674 42.059 -0.721 0.000 0.896 217 L HN 0.103 nan 8.230 nan 0.000 0.432 218 D N 0.382 120.700 120.400 -0.137 0.000 2.123 218 D HA -0.187 4.468 4.640 0.025 0.000 0.196 218 D C 2.194 178.495 176.300 0.002 0.000 0.992 218 D CA 1.658 55.695 54.000 0.061 0.000 0.833 218 D CB -0.015 40.797 40.800 0.020 0.000 0.954 218 D HN 0.351 nan 8.370 nan 0.000 0.455 219 A N -0.291 122.501 122.820 -0.047 0.000 1.898 219 A HA -0.139 4.196 4.320 0.025 0.000 0.214 219 A C 2.060 179.654 177.584 0.017 0.000 1.183 219 A CA 0.786 52.826 52.037 0.004 0.000 0.622 219 A CB -0.875 18.153 19.000 0.046 0.000 0.824 219 A HN 0.175 nan 8.150 nan 0.000 0.444 220 Y N 0.185 120.346 120.300 -0.232 0.000 2.224 220 Y HA -0.097 4.467 4.550 0.025 0.000 0.289 220 Y C 2.899 178.798 175.900 -0.001 0.000 1.146 220 Y CA 0.808 58.824 58.100 -0.140 0.000 1.182 220 Y CB -0.511 37.815 38.460 -0.222 0.000 0.983 220 Y HN 0.336 nan 8.280 nan 0.000 0.524 221 A N 0.043 122.929 122.820 0.110 0.000 1.883 221 A HA -0.276 4.059 4.320 0.025 0.000 0.217 221 A C 2.058 179.680 177.584 0.064 0.000 1.186 221 A CA 2.005 54.108 52.037 0.110 0.000 0.624 221 A CB -0.815 18.292 19.000 0.179 0.000 0.822 221 A HN 0.507 nan 8.150 nan 0.000 0.444 222 E N -0.957 119.255 120.200 0.021 0.000 2.187 222 E HA -0.205 4.160 4.350 0.025 0.000 0.199 222 E C 0.943 177.448 176.600 -0.159 0.000 1.004 222 E CA 1.247 57.602 56.400 -0.074 0.000 0.813 222 E CB -0.167 29.460 29.700 -0.122 0.000 0.736 222 E HN 0.726 nan 8.360 nan 0.000 0.468 223 H N -0.266 118.772 119.070 -0.054 0.000 2.568 223 H HA 0.170 4.741 4.556 0.025 0.000 0.302 223 H C -0.069 175.323 175.328 0.107 0.000 1.065 223 H CA 0.215 56.254 56.048 -0.014 0.000 1.140 223 H CB 0.253 29.945 29.762 -0.117 0.000 1.474 223 H HN 0.059 nan 8.280 nan 0.000 0.545 224 K N 0.384 120.875 120.400 0.152 0.000 3.160 224 K HA -0.169 4.165 4.320 0.025 0.000 0.280 224 K C -0.613 176.082 176.600 0.158 0.000 1.154 224 K CA 0.316 56.696 56.287 0.155 0.000 0.822 224 K CB -1.390 31.191 32.500 0.135 0.000 1.239 224 K HN 0.277 nan 8.250 nan 0.000 0.489 225 L N 0.883 122.162 121.223 0.093 0.000 2.333 225 L HA 0.340 4.695 4.340 0.025 0.000 0.280 225 L C 0.109 176.988 176.870 0.015 0.000 1.004 225 L CA -0.641 54.195 54.840 -0.008 0.000 0.820 225 L CB 1.716 43.736 42.059 -0.064 0.000 1.247 225 L HN 0.114 nan 8.230 nan 0.000 0.416 226 Q N 2.360 122.119 119.800 -0.068 0.000 2.274 226 Q HA 0.503 4.858 4.340 0.025 0.000 0.260 226 Q C -1.588 174.329 176.000 -0.138 0.000 0.974 226 Q CA -0.699 55.102 55.803 -0.002 0.000 0.876 226 Q CB 2.094 30.849 28.738 0.027 0.000 1.297 226 Q HN 0.389 nan 8.270 nan 0.000 0.446 227 F N 1.448 121.419 119.950 0.036 0.000 2.422 227 F HA 0.197 4.739 4.527 0.025 0.000 0.333 227 F C 0.652 176.511 175.800 0.098 0.000 1.095 227 F CA -0.549 57.490 58.000 0.064 0.000 1.038 227 F CB 0.747 39.765 39.000 0.031 0.000 1.156 227 F HN 0.749 nan 8.300 nan 0.000 0.483 228 W N 3.291 124.648 121.300 0.096 0.000 2.480 228 W HA 0.493 5.168 4.660 0.025 0.000 0.299 228 W C -0.313 176.216 176.519 0.017 0.000 1.187 228 W CA 0.937 58.289 57.345 0.012 0.000 1.347 228 W CB -0.106 29.328 29.460 -0.044 0.000 1.121 228 W HN 0.430 nan 8.180 nan 0.000 0.533 229 A N 0.491 123.071 122.820 -0.400 0.000 2.606 229 A HA 0.594 4.929 4.320 0.025 0.000 0.293 229 A C -1.346 176.083 177.584 -0.257 0.000 1.082 229 A CA -0.208 51.423 52.037 -0.676 0.000 0.685 229 A CB 0.985 19.052 19.000 -1.555 0.000 1.284 229 A HN 0.566 nan 8.150 nan 0.000 0.408 230 V N -0.691 119.085 119.914 -0.230 0.000 2.769 230 V HA 0.918 5.053 4.120 0.025 0.000 0.312 230 V C 0.088 176.115 176.094 -0.111 0.000 1.061 230 V CA 0.094 62.329 62.300 -0.109 0.000 0.931 230 V CB 1.273 33.104 31.823 0.014 0.000 1.010 230 V HN 1.564 nan 8.190 nan 0.000 0.433 231 T N 1.245 115.771 114.554 -0.046 0.000 2.922 231 T HA 0.655 5.020 4.350 0.025 0.000 0.285 231 T C 1.225 175.942 174.700 0.029 0.000 1.005 231 T CA 0.031 62.103 62.100 -0.046 0.000 1.061 231 T CB 1.567 70.401 68.868 -0.057 0.000 1.007 231 T HN 1.628 nan 8.240 nan 0.000 0.502 232 A N 0.898 123.692 122.820 -0.044 0.000 2.125 232 A HA 0.248 4.583 4.320 0.025 0.000 0.219 232 A C 0.829 178.452 177.584 0.065 0.000 1.156 232 A CA 1.227 53.249 52.037 -0.025 0.000 0.671 232 A CB -0.815 18.114 19.000 -0.118 0.000 0.794 232 A HN 1.010 nan 8.150 nan 0.000 0.459 233 E N -1.872 118.317 120.200 -0.018 0.000 3.260 233 E HA 0.097 4.462 4.350 0.025 0.000 0.328 233 E C -1.376 175.080 176.600 -0.240 0.000 1.112 233 E CA -0.303 56.057 56.400 -0.067 0.000 0.898 233 E CB -0.353 29.263 29.700 -0.140 0.000 1.191 233 E HN 0.218 nan 8.360 nan 0.000 0.480 234 N N 3.055 121.529 118.700 -0.378 0.000 2.475 234 N HA 0.174 4.929 4.740 0.025 0.000 0.267 234 N C -0.782 174.369 175.510 -0.598 0.000 1.169 234 N CA 0.498 53.144 53.050 -0.673 0.000 0.947 234 N CB 0.405 38.000 38.487 -1.488 0.000 1.061 234 N HN 0.554 nan 8.380 nan 0.000 0.466 235 E N 1.955 121.793 120.200 -0.602 0.000 2.202 235 E HA -0.192 4.173 4.350 0.025 0.000 0.169 235 E C -1.673 174.684 176.600 -0.405 0.000 1.536 235 E CA 0.041 56.122 56.400 -0.533 0.000 0.664 235 E CB -0.561 28.861 29.700 -0.462 0.000 1.064 235 E HN 0.692 nan 8.360 nan 0.000 0.327 236 P HA -0.258 nan 4.420 nan 0.000 0.219 236 P C 1.461 178.747 177.300 -0.022 0.000 1.146 236 P CA 1.845 64.919 63.100 -0.042 0.000 0.808 236 P CB 0.069 31.846 31.700 0.129 0.000 0.779 237 S N 0.096 115.724 115.700 -0.120 0.000 2.423 237 S HA -0.042 4.443 4.470 0.025 0.000 0.231 237 S C 2.226 176.702 174.600 -0.207 0.000 1.014 237 S CA 0.965 59.127 58.200 -0.064 0.000 0.965 237 S CB -1.316 61.835 63.200 -0.083 0.000 0.785 237 S HN 0.145 nan 8.310 nan 0.000 0.495 238 A N 1.786 124.362 122.820 -0.407 0.000 1.972 238 A HA 0.219 4.554 4.320 0.025 0.000 0.219 238 A C 2.265 179.436 177.584 -0.688 0.000 1.169 238 A CA 1.333 52.900 52.037 -0.783 0.000 0.635 238 A CB -1.530 16.648 19.000 -1.371 0.000 0.810 238 A HN 0.671 nan 8.150 nan 0.000 0.446 239 G N -0.783 107.761 108.800 -0.427 0.000 2.776 239 G HA2 0.114 4.088 3.960 0.025 0.000 0.209 239 G HA3 0.114 4.088 3.960 0.025 0.000 0.209 239 G C 1.139 175.923 174.900 -0.193 0.000 1.145 239 G CA 0.514 45.440 45.100 -0.291 0.000 0.791 239 G HN 0.464 nan 8.290 nan 0.000 0.530 240 L N -0.169 120.962 121.223 -0.153 0.000 2.592 240 L HA 0.371 4.726 4.340 0.025 0.000 0.227 240 L C 0.394 177.225 176.870 -0.065 0.000 1.127 240 L CA 0.005 54.795 54.840 -0.083 0.000 0.884 240 L CB 0.011 42.053 42.059 -0.028 0.000 1.065 240 L HN 0.079 nan 8.230 nan 0.000 0.457 241 L N -0.376 120.800 121.223 -0.079 0.000 2.307 241 L HA 0.313 4.668 4.340 0.025 0.000 0.284 241 L C 0.456 177.331 176.870 0.010 0.000 1.023 241 L CA -0.209 54.620 54.840 -0.018 0.000 0.810 241 L CB 1.991 44.066 42.059 0.026 0.000 1.231 241 L HN -0.104 nan 8.230 nan 0.000 0.423 242 S N 1.468 117.171 115.700 0.004 0.000 2.549 242 S HA 0.344 4.828 4.470 0.025 0.000 0.279 242 S C 1.089 175.691 174.600 0.003 0.000 1.321 242 S CA 0.541 58.739 58.200 -0.004 0.000 1.054 242 S CB 0.610 63.802 63.200 -0.013 0.000 0.899 242 S HN 0.990 nan 8.310 nan 0.000 0.497 243 G N 3.359 112.156 108.800 -0.005 0.000 2.187 243 G HA2 -0.318 3.657 3.960 0.025 0.000 0.261 243 G HA3 -0.318 3.657 3.960 0.025 0.000 0.261 243 G C 0.030 174.906 174.900 -0.039 0.000 1.000 243 G CA 0.542 45.629 45.100 -0.022 0.000 0.718 243 G HN 0.889 nan 8.290 nan 0.000 0.519 244 Y N 1.554 121.779 120.300 -0.125 0.000 2.865 244 Y HA 0.179 4.744 4.550 0.025 0.000 0.338 244 Y C 0.021 175.803 175.900 -0.198 0.000 1.269 244 Y CA -0.378 57.606 58.100 -0.193 0.000 1.585 244 Y CB 0.876 39.194 38.460 -0.236 0.000 1.224 244 Y HN 0.127 nan 8.280 nan 0.000 0.554 245 P HA -0.123 nan 4.420 nan 0.000 0.219 245 P C -0.259 176.920 177.300 -0.201 0.000 1.150 245 P CA 1.311 64.185 63.100 -0.376 0.000 0.814 245 P CB -0.001 31.462 31.700 -0.395 0.000 0.787 246 F N -2.070 117.761 119.950 -0.198 0.000 2.835 246 F HA 0.697 5.239 4.527 0.025 0.000 0.373 246 F C -0.150 175.872 175.800 0.370 0.000 1.209 246 F CA -1.964 56.109 58.000 0.122 0.000 1.082 246 F CB -0.531 38.470 39.000 0.003 0.000 1.472 246 F HN -0.468 nan 8.300 nan 0.000 0.519 247 Q N 1.004 121.265 119.800 0.769 0.000 2.263 247 Q HA 0.414 4.769 4.340 0.025 0.000 0.289 247 Q C -0.449 175.808 176.000 0.430 0.000 1.061 247 Q CA 0.431 56.531 55.803 0.496 0.000 0.927 247 Q CB 0.433 29.420 28.738 0.415 0.000 1.154 247 Q HN 0.848 nan 8.270 nan 0.000 0.378 248 C N 0.710 120.093 119.300 0.138 0.000 3.312 248 C HA 0.861 5.335 4.460 0.025 0.000 0.332 248 C C -1.739 173.158 174.990 -0.155 0.000 1.340 248 C CA -1.263 57.720 59.018 -0.057 0.000 1.265 248 C CB 0.724 28.307 27.740 -0.261 0.000 1.563 248 C HN 0.817 nan 8.230 nan 0.000 0.471 249 L N 2.043 123.142 121.223 -0.206 0.000 2.611 249 L HA 0.716 5.071 4.340 0.025 0.000 0.263 249 L C 0.204 176.925 176.870 -0.248 0.000 0.969 249 L CA 0.440 55.109 54.840 -0.285 0.000 0.894 249 L CB 1.265 43.122 42.059 -0.337 0.000 1.229 249 L HN 1.387 nan 8.230 nan 0.000 0.416 250 G N 3.461 112.054 108.800 -0.345 0.000 2.378 250 G HA2 0.452 4.427 3.960 0.025 0.000 0.255 250 G HA3 0.452 4.427 3.960 0.025 0.000 0.255 250 G C -1.109 173.542 174.900 -0.416 0.000 1.270 250 G CA 0.066 45.010 45.100 -0.260 0.000 0.876 250 G HN 0.392 nan 8.290 nan 0.000 0.521 251 F N 0.369 120.277 119.950 -0.070 0.000 2.561 251 F HA 0.389 4.931 4.527 0.025 0.000 0.313 251 F C 0.879 176.750 175.800 0.119 0.000 1.126 251 F CA -0.794 57.187 58.000 -0.033 0.000 0.918 251 F CB 2.243 41.220 39.000 -0.038 0.000 1.199 251 F HN 0.632 nan 8.300 nan 0.000 0.444 252 T N -0.086 114.587 114.554 0.197 0.000 2.828 252 T HA 0.219 4.583 4.350 0.025 0.000 0.290 252 T C -1.894 172.545 174.700 -0.435 0.000 1.019 252 T CA -1.588 60.495 62.100 -0.028 0.000 1.031 252 T CB 1.127 69.978 68.868 -0.028 0.000 1.001 252 T HN 0.323 nan 8.240 nan 0.000 0.531 253 P HA -0.116 nan 4.420 nan 0.000 0.216 253 P C 1.088 178.042 177.300 -0.577 0.000 1.150 253 P CA 1.208 63.403 63.100 -1.507 0.000 0.843 253 P CB 0.119 30.890 31.700 -1.549 0.000 0.787 254 E N -1.386 118.620 120.200 -0.324 0.000 2.047 254 E HA -0.184 4.181 4.350 0.025 0.000 0.191 254 E C 2.239 178.858 176.600 0.032 0.000 0.987 254 E CA 1.012 57.333 56.400 -0.130 0.000 0.799 254 E CB -1.078 28.565 29.700 -0.095 0.000 0.752 254 E HN 0.481 nan 8.360 nan 0.000 0.449 255 H N -0.047 119.017 119.070 -0.010 0.000 2.353 255 H HA -0.149 4.422 4.556 0.025 0.000 0.300 255 H C 2.260 177.785 175.328 0.329 0.000 1.090 255 H CA 1.433 57.584 56.048 0.172 0.000 1.327 255 H CB 0.268 30.134 29.762 0.173 0.000 1.383 255 H HN 0.140 nan 8.280 nan 0.000 0.508 256 Q N 0.701 120.679 119.800 0.298 0.000 2.030 256 Q HA -0.234 4.121 4.340 0.025 0.000 0.204 256 Q C 2.600 178.669 176.000 0.115 0.000 0.986 256 Q CA 1.878 57.764 55.803 0.137 0.000 0.843 256 Q CB -0.115 28.680 28.738 0.095 0.000 0.904 256 Q HN 0.372 nan 8.270 nan 0.000 0.420 257 R N 0.017 120.532 120.500 0.026 0.000 2.096 257 R HA -0.209 4.146 4.340 0.025 0.000 0.240 257 R C 1.381 177.711 176.300 0.049 0.000 1.139 257 R CA 2.121 58.221 56.100 -0.001 0.000 0.952 257 R CB -0.288 29.977 30.300 -0.058 0.000 0.854 257 R HN 0.371 nan 8.270 nan 0.000 0.436 258 D N -0.317 120.149 120.400 0.109 0.000 2.149 258 D HA -0.135 4.520 4.640 0.025 0.000 0.201 258 D C 1.587 178.007 176.300 0.200 0.000 0.972 258 D CA 0.883 54.957 54.000 0.122 0.000 0.835 258 D CB -0.347 40.518 40.800 0.108 0.000 0.966 258 D HN 0.223 nan 8.370 nan 0.000 0.476 259 F N 1.609 121.677 119.950 0.196 0.000 2.134 259 F HA -0.116 4.425 4.527 0.025 0.000 0.299 259 F C 2.062 177.885 175.800 0.038 0.000 1.097 259 F CA 1.037 59.170 58.000 0.222 0.000 1.264 259 F CB -0.332 38.909 39.000 0.401 0.000 1.001 259 F HN -0.135 nan 8.300 nan 0.000 0.479 260 I N 0.281 120.708 120.570 -0.239 0.000 2.179 260 I HA -0.306 3.879 4.170 0.025 0.000 0.242 260 I C 2.728 178.685 176.117 -0.265 0.000 1.088 260 I CA 1.285 62.359 61.300 -0.376 0.000 1.357 260 I CB -1.029 36.863 38.000 -0.180 0.000 1.051 260 I HN 0.257 nan 8.210 nan 0.000 0.409 261 A N 0.777 123.557 122.820 -0.067 0.000 1.858 261 A HA -0.158 4.177 4.320 0.025 0.000 0.216 261 A C 2.393 179.962 177.584 -0.026 0.000 1.190 261 A CA 1.337 53.397 52.037 0.039 0.000 0.617 261 A CB -0.379 18.653 19.000 0.052 0.000 0.827 261 A HN 0.244 nan 8.150 nan 0.000 0.443 262 R N -0.335 120.140 120.500 -0.042 0.000 2.075 262 R HA 0.013 4.368 4.340 0.025 0.000 0.226 262 R C 0.855 177.105 176.300 -0.083 0.000 1.114 262 R CA 1.535 57.619 56.100 -0.027 0.000 0.972 262 R CB -0.463 29.850 30.300 0.021 0.000 0.869 262 R HN 0.607 nan 8.270 nan 0.000 0.437 263 D N -0.596 119.700 120.400 -0.173 0.000 3.234 263 D HA -0.014 4.641 4.640 0.025 0.000 0.281 263 D C 1.828 177.879 176.300 -0.416 0.000 1.405 263 D CA -0.126 53.771 54.000 -0.171 0.000 1.115 263 D CB -0.425 40.426 40.800 0.084 0.000 1.198 263 D HN -0.079 nan 8.370 nan 0.000 0.388 264 L N 1.991 122.726 121.223 -0.814 0.000 2.056 264 L HA 0.097 4.452 4.340 0.025 0.000 0.207 264 L C 2.156 178.592 176.870 -0.723 0.000 1.078 264 L CA 2.065 56.384 54.840 -0.869 0.000 0.749 264 L CB -0.984 40.306 42.059 -1.282 0.000 0.901 264 L HN 0.118 nan 8.230 nan 0.000 0.433 265 G N -0.256 108.021 108.800 -0.871 0.000 2.511 265 G HA2 -0.219 3.756 3.960 0.025 0.000 0.216 265 G HA3 -0.219 3.756 3.960 0.025 0.000 0.216 265 G C -0.602 173.586 174.900 -1.187 0.000 1.218 265 G CA 0.966 45.224 45.100 -1.403 0.000 0.788 265 G HN 0.354 nan 8.290 nan 0.000 0.560 266 P HA -0.036 nan 4.420 nan 0.000 0.216 266 P C 2.026 179.188 177.300 -0.231 0.000 1.150 266 P CA 1.790 64.675 63.100 -0.359 0.000 0.837 266 P CB -0.208 31.368 31.700 -0.207 0.000 0.786 267 T N -0.670 113.731 114.554 -0.256 0.000 2.821 267 T HA -0.057 4.308 4.350 0.025 0.000 0.267 267 T C 1.753 176.379 174.700 -0.123 0.000 1.046 267 T CA 0.962 62.971 62.100 -0.151 0.000 1.139 267 T CB -0.795 67.999 68.868 -0.123 0.000 0.871 267 T HN 0.053 nan 8.240 nan 0.000 0.454 268 L N 0.577 121.687 121.223 -0.189 0.000 2.072 268 L HA 0.001 4.355 4.340 0.025 0.000 0.205 268 L C 3.000 179.863 176.870 -0.012 0.000 1.079 268 L CA 0.947 55.728 54.840 -0.098 0.000 0.752 268 L CB -0.583 41.383 42.059 -0.156 0.000 0.906 268 L HN 0.237 nan 8.230 nan 0.000 0.436 269 A N 0.431 123.227 122.820 -0.040 0.000 1.883 269 A HA -0.230 4.105 4.320 0.025 0.000 0.217 269 A C 1.662 179.261 177.584 0.024 0.000 1.186 269 A CA 2.083 54.149 52.037 0.048 0.000 0.624 269 A CB -0.653 18.397 19.000 0.082 0.000 0.822 269 A HN 0.470 nan 8.150 nan 0.000 0.444 270 N N 0.136 118.829 118.700 -0.012 0.000 2.485 270 N HA 0.052 4.807 4.740 0.025 0.000 0.199 270 N C 0.255 175.762 175.510 -0.005 0.000 1.236 270 N CA 0.759 53.799 53.050 -0.018 0.000 0.852 270 N CB -0.099 38.375 38.487 -0.022 0.000 1.018 270 N HN 0.619 nan 8.380 nan 0.000 0.457 271 S N -2.137 113.578 115.700 0.026 0.000 2.715 271 S HA 0.353 4.838 4.470 0.025 0.000 0.307 271 S C 1.181 175.795 174.600 0.024 0.000 1.119 271 S CA -0.504 57.703 58.200 0.011 0.000 0.937 271 S CB 1.210 64.432 63.200 0.036 0.000 1.150 271 S HN 0.157 nan 8.310 nan 0.000 0.521 272 T N -1.802 112.657 114.554 -0.157 0.000 3.118 272 T HA 0.061 4.426 4.350 0.025 0.000 0.260 272 T C 0.584 175.120 174.700 -0.274 0.000 1.139 272 T CA 0.634 62.624 62.100 -0.184 0.000 1.085 272 T CB -0.675 68.005 68.868 -0.314 0.000 0.934 272 T HN 0.743 nan 8.240 nan 0.000 0.518 273 H N 0.946 120.026 119.070 0.017 0.000 2.505 273 H HA 0.177 4.748 4.556 0.025 0.000 0.289 273 H C 1.565 176.824 175.328 -0.115 0.000 1.052 273 H CA 0.417 56.429 56.048 -0.060 0.000 1.156 273 H CB -0.437 29.320 29.762 -0.009 0.000 1.507 273 H HN 0.830 nan 8.280 nan 0.000 0.548 274 H N -0.540 118.555 119.070 0.042 0.000 2.518 274 H HA -0.055 4.516 4.556 0.025 0.000 0.292 274 H C 1.164 176.502 175.328 0.017 0.000 1.068 274 H CA 1.075 57.133 56.048 0.017 0.000 1.275 274 H CB 0.039 29.802 29.762 0.001 0.000 1.375 274 H HN 0.041 nan 8.280 nan 0.000 0.563 275 N N 0.707 119.131 118.700 -0.460 0.000 2.463 275 N HA 0.010 4.765 4.740 0.025 0.000 0.181 275 N C -0.191 175.248 175.510 -0.118 0.000 1.078 275 N CA 0.305 53.216 53.050 -0.232 0.000 0.902 275 N CB 0.305 38.645 38.487 -0.246 0.000 0.970 275 N HN 0.188 nan 8.380 nan 0.000 0.451 276 V N 3.490 123.354 119.914 -0.084 0.000 2.540 276 V HA -0.011 4.124 4.120 0.025 0.000 0.297 276 V C 0.805 176.801 176.094 -0.163 0.000 1.024 276 V CA -0.122 62.127 62.300 -0.084 0.000 1.105 276 V CB 0.323 32.134 31.823 -0.020 0.000 0.938 276 V HN 0.115 nan 8.190 nan 0.000 0.482 277 R N 3.637 123.953 120.500 -0.306 0.000 2.531 277 R HA 0.511 4.866 4.340 0.025 0.000 0.273 277 R C -0.542 175.585 176.300 -0.289 0.000 1.070 277 R CA -0.848 55.044 56.100 -0.347 0.000 1.112 277 R CB 0.765 30.698 30.300 -0.613 0.000 1.049 277 R HN 0.507 nan 8.270 nan 0.000 0.508 278 L N 2.629 123.749 121.223 -0.171 0.000 2.313 278 L HA 0.436 4.790 4.340 0.025 0.000 0.283 278 L C -1.140 175.656 176.870 -0.122 0.000 1.013 278 L CA -0.313 54.429 54.840 -0.163 0.000 0.816 278 L CB 1.155 43.124 42.059 -0.149 0.000 1.236 278 L HN 0.436 nan 8.230 nan 0.000 0.419 279 L N 5.942 127.076 121.223 -0.148 0.000 2.322 279 L HA 0.580 4.935 4.340 0.025 0.000 0.281 279 L C 0.280 177.094 176.870 -0.093 0.000 1.014 279 L CA -0.726 54.051 54.840 -0.104 0.000 0.815 279 L CB 1.588 43.583 42.059 -0.106 0.000 1.247 279 L HN 0.743 nan 8.230 nan 0.000 0.421 280 M N 1.839 121.395 119.600 -0.074 0.000 2.219 280 M HA 0.529 5.024 4.480 0.025 0.000 0.280 280 M C 0.729 176.970 176.300 -0.098 0.000 1.189 280 M CA -0.327 54.933 55.300 -0.066 0.000 1.010 280 M CB 1.044 33.630 32.600 -0.024 0.000 1.422 280 M HN 0.521 nan 8.290 nan 0.000 0.504 281 L N 0.169 121.311 121.223 -0.134 0.000 3.982 281 L HA -0.363 3.992 4.340 0.025 0.000 0.053 281 L C 0.342 176.953 176.870 -0.432 0.000 4.145 281 L CA 3.039 57.666 54.840 -0.355 0.000 0.834 281 L CB -1.777 40.114 42.059 -0.279 0.000 3.418 281 L HN 1.176 nan 8.230 nan 0.000 0.928 282 D N 0.240 120.436 120.400 -0.340 0.000 2.699 282 D HA -0.090 4.565 4.640 0.025 0.000 0.239 282 D C -0.393 175.383 176.300 -0.873 0.000 1.136 282 D CA 1.396 55.144 54.000 -0.419 0.000 0.668 282 D CB -0.779 39.852 40.800 -0.282 0.000 1.060 282 D HN 0.724 nan 8.370 nan 0.000 0.429 283 D N -1.104 118.834 120.400 -0.771 0.000 2.768 283 D HA 0.168 4.822 4.640 0.025 0.000 0.327 283 D C -0.518 175.544 176.300 -0.396 0.000 1.302 283 D CA -0.430 53.141 54.000 -0.716 0.000 0.897 283 D CB 0.648 41.026 40.800 -0.702 0.000 1.420 283 D HN -0.112 nan 8.370 nan 0.000 0.494 284 Q N 0.756 120.403 119.800 -0.255 0.000 2.364 284 Q HA 0.138 4.492 4.340 0.025 0.000 0.267 284 Q C 0.977 176.908 176.000 -0.114 0.000 0.999 284 Q CA 0.160 55.913 55.803 -0.084 0.000 0.886 284 Q CB 0.564 29.284 28.738 -0.030 0.000 1.243 284 Q HN 0.512 nan 8.270 nan 0.000 0.415 285 R N 2.380 122.846 120.500 -0.056 0.000 2.280 285 R HA -0.046 4.309 4.340 0.025 0.000 0.207 285 R C 1.786 178.057 176.300 -0.048 0.000 1.043 285 R CA 0.707 56.776 56.100 -0.053 0.000 1.006 285 R CB -0.542 29.741 30.300 -0.028 0.000 0.885 285 R HN 0.691 nan 8.270 nan 0.000 0.467 286 L N -0.058 121.129 121.223 -0.060 0.000 2.042 286 L HA -0.102 4.253 4.340 0.025 0.000 0.210 286 L C 1.730 178.598 176.870 -0.004 0.000 1.076 286 L CA 1.513 56.324 54.840 -0.048 0.000 0.749 286 L CB -0.592 41.426 42.059 -0.068 0.000 0.893 286 L HN 0.202 nan 8.230 nan 0.000 0.432 287 L N 0.455 121.662 121.223 -0.026 0.000 2.651 287 L HA -0.029 4.326 4.340 0.025 0.000 0.236 287 L C 0.882 177.841 176.870 0.148 0.000 1.173 287 L CA 0.392 55.259 54.840 0.045 0.000 0.843 287 L CB -0.493 41.409 42.059 -0.262 0.000 0.964 287 L HN 0.317 nan 8.230 nan 0.000 0.454 288 L N 0.286 121.557 121.223 0.081 0.000 2.334 288 L HA 0.272 4.627 4.340 0.025 0.000 0.275 288 L C -1.304 175.637 176.870 0.118 0.000 1.036 288 L CA -1.599 53.312 54.840 0.119 0.000 0.807 288 L CB 1.477 43.581 42.059 0.075 0.000 1.231 288 L HN -0.218 nan 8.230 nan 0.000 0.438 289 P HA -0.069 nan 4.420 nan 0.000 0.245 289 P C 0.988 178.433 177.300 0.241 0.000 1.206 289 P CA 0.656 63.870 63.100 0.189 0.000 0.781 289 P CB 0.124 31.923 31.700 0.165 0.000 0.994 290 H N -0.324 118.839 119.070 0.156 0.000 2.289 290 H HA -0.183 4.388 4.556 0.025 0.000 0.294 290 H C 1.537 176.964 175.328 0.166 0.000 1.095 290 H CA 2.191 58.324 56.048 0.143 0.000 1.256 290 H CB -0.998 28.836 29.762 0.120 0.000 1.359 290 H HN 0.006 nan 8.280 nan 0.000 0.487 291 W N 0.606 121.845 121.300 -0.102 0.000 2.321 291 W HA -0.201 4.475 4.660 0.025 0.000 0.306 291 W C 2.940 179.364 176.519 -0.159 0.000 1.217 291 W CA 2.399 59.642 57.345 -0.170 0.000 1.257 291 W CB -0.874 28.539 29.460 -0.079 0.000 1.145 291 W HN 0.409 nan 8.180 nan 0.000 0.509 292 A N -0.074 122.836 122.820 0.149 0.000 1.877 292 A HA -0.222 4.113 4.320 0.025 0.000 0.216 292 A C 1.927 179.485 177.584 -0.044 0.000 1.186 292 A CA 2.037 54.086 52.037 0.021 0.000 0.620 292 A CB -0.704 18.387 19.000 0.152 0.000 0.822 292 A HN 0.299 nan 8.150 nan 0.000 0.443 293 K N -0.461 120.025 120.400 0.144 0.000 2.009 293 K HA -0.099 4.236 4.320 0.025 0.000 0.210 293 K C 1.867 178.456 176.600 -0.017 0.000 1.049 293 K CA 1.556 57.955 56.287 0.186 0.000 0.929 293 K CB -0.516 32.090 32.500 0.177 0.000 0.714 293 K HN 0.262 nan 8.250 nan 0.000 0.440 294 V N 0.971 120.773 119.914 -0.187 0.000 2.324 294 V HA -0.264 3.870 4.120 0.025 0.000 0.250 294 V C 2.215 178.198 176.094 -0.185 0.000 1.060 294 V CA 1.744 63.895 62.300 -0.247 0.000 1.042 294 V CB -0.427 31.113 31.823 -0.471 0.000 0.650 294 V HN 0.128 nan 8.190 nan 0.000 0.450 295 V N -0.813 118.990 119.914 -0.186 0.000 2.331 295 V HA -0.085 4.050 4.120 0.025 0.000 0.242 295 V C 2.085 178.070 176.094 -0.182 0.000 1.034 295 V CA 1.567 63.773 62.300 -0.157 0.000 1.027 295 V CB -0.342 31.412 31.823 -0.114 0.000 0.667 295 V HN 0.411 nan 8.190 nan 0.000 0.457 296 L N 0.731 121.767 121.223 -0.312 0.000 2.418 296 L HA -0.044 4.311 4.340 0.025 0.000 0.218 296 L C 2.480 179.225 176.870 -0.207 0.000 1.125 296 L CA 1.445 56.019 54.840 -0.443 0.000 0.835 296 L CB -0.698 40.682 42.059 -1.131 0.000 0.953 296 L HN 0.557 nan 8.230 nan 0.000 0.454 297 T N -4.518 110.000 114.554 -0.060 0.000 3.160 297 T HA -0.079 4.286 4.350 0.025 0.000 0.257 297 T C 0.700 175.398 174.700 -0.003 0.000 1.147 297 T CA -0.056 62.075 62.100 0.051 0.000 1.064 297 T CB -0.255 68.671 68.868 0.098 0.000 0.949 297 T HN 0.036 nan 8.240 nan 0.000 0.526 298 D N 2.832 123.207 120.400 -0.043 0.000 2.428 298 D HA 0.234 4.889 4.640 0.025 0.000 0.221 298 D C -1.370 174.901 176.300 -0.049 0.000 1.123 298 D CA -2.660 51.316 54.000 -0.040 0.000 0.869 298 D CB 1.819 42.593 40.800 -0.044 0.000 1.032 298 D HN 0.052 nan 8.370 nan 0.000 0.506 299 P HA -0.168 nan 4.420 nan 0.000 0.218 299 P C 0.841 178.084 177.300 -0.094 0.000 1.146 299 P CA 0.927 63.989 63.100 -0.064 0.000 0.813 299 P CB 0.592 32.263 31.700 -0.049 0.000 0.778 300 E N -0.218 119.944 120.200 -0.063 0.000 2.152 300 E HA -0.045 4.320 4.350 0.025 0.000 0.192 300 E C 2.119 178.718 176.600 -0.001 0.000 0.983 300 E CA 1.142 57.514 56.400 -0.048 0.000 0.818 300 E CB -0.601 29.102 29.700 0.005 0.000 0.758 300 E HN 0.252 nan 8.360 nan 0.000 0.467 301 A N 1.567 124.388 122.820 0.002 0.000 1.874 301 A HA 0.101 4.436 4.320 0.025 0.000 0.214 301 A C 2.440 180.010 177.584 -0.023 0.000 1.189 301 A CA 1.470 53.530 52.037 0.037 0.000 0.615 301 A CB -0.530 18.463 19.000 -0.012 0.000 0.830 301 A HN 0.236 nan 8.150 nan 0.000 0.443 302 A N 1.370 124.133 122.820 -0.095 0.000 1.892 302 A HA -0.244 4.090 4.320 0.025 0.000 0.218 302 A C 2.123 179.615 177.584 -0.154 0.000 1.188 302 A CA 2.240 54.201 52.037 -0.126 0.000 0.631 302 A CB -0.628 18.301 19.000 -0.118 0.000 0.822 302 A HN 0.661 nan 8.150 nan 0.000 0.447 303 K N -1.309 118.935 120.400 -0.260 0.000 2.281 303 K HA -0.187 4.148 4.320 0.025 0.000 0.203 303 K C 1.311 177.657 176.600 -0.423 0.000 1.046 303 K CA 1.907 57.968 56.287 -0.377 0.000 0.938 303 K CB -0.446 31.746 32.500 -0.514 0.000 0.737 303 K HN 0.650 nan 8.250 nan 0.000 0.458 304 Y N 0.894 121.151 120.300 -0.072 0.000 2.497 304 Y HA 0.156 4.720 4.550 0.025 0.000 0.265 304 Y C 0.654 176.502 175.900 -0.087 0.000 1.111 304 Y CA -0.712 57.335 58.100 -0.087 0.000 1.288 304 Y CB 1.015 39.398 38.460 -0.127 0.000 1.082 304 Y HN -0.221 nan 8.280 nan 0.000 0.536 305 V N 0.912 120.850 119.914 0.040 0.000 2.364 305 V HA 0.014 4.149 4.120 0.025 0.000 0.272 305 V C 0.657 176.763 176.094 0.020 0.000 1.036 305 V CA -0.299 62.001 62.300 -0.001 0.000 0.880 305 V CB 0.930 32.718 31.823 -0.058 0.000 0.991 305 V HN 0.305 nan 8.190 nan 0.000 0.460 306 H N 3.901 122.932 119.070 -0.064 0.000 2.470 306 H HA 0.345 4.916 4.556 0.025 0.000 0.289 306 H C 0.781 176.093 175.328 -0.026 0.000 1.033 306 H CA 1.065 57.084 56.048 -0.047 0.000 1.331 306 H CB 0.493 30.209 29.762 -0.077 0.000 1.414 306 H HN 0.758 nan 8.280 nan 0.000 0.545 307 G N -0.864 107.875 108.800 -0.102 0.000 2.576 307 G HA2 0.447 4.422 3.960 0.025 0.000 0.290 307 G HA3 0.447 4.422 3.960 0.025 0.000 0.290 307 G C -1.679 173.198 174.900 -0.037 0.000 1.442 307 G CA -0.716 44.316 45.100 -0.112 0.000 0.792 307 G HN 0.136 nan 8.290 nan 0.000 0.491 308 I N 0.976 121.554 120.570 0.013 0.000 2.406 308 I HA 0.615 4.800 4.170 0.025 0.000 0.290 308 I C 0.532 176.694 176.117 0.076 0.000 0.999 308 I CA -0.732 60.580 61.300 0.020 0.000 1.124 308 I CB 2.089 40.102 38.000 0.022 0.000 1.289 308 I HN 0.659 nan 8.210 nan 0.000 0.441 309 A N 6.275 129.121 122.820 0.043 0.000 2.312 309 A HA 0.844 5.179 4.320 0.025 0.000 0.326 309 A C -0.470 177.111 177.584 -0.006 0.000 1.172 309 A CA -0.529 51.569 52.037 0.101 0.000 0.821 309 A CB 1.141 20.213 19.000 0.119 0.000 1.166 309 A HN 0.637 nan 8.150 nan 0.000 0.493 310 V N 0.556 120.473 119.914 0.004 0.000 2.656 310 V HA 0.573 4.707 4.120 0.025 0.000 0.307 310 V C -0.466 175.667 176.094 0.065 0.000 1.051 310 V CA -0.679 61.605 62.300 -0.028 0.000 0.893 310 V CB 0.949 32.753 31.823 -0.032 0.000 0.999 310 V HN 0.946 nan 8.190 nan 0.000 0.426 311 H N 3.587 122.581 119.070 -0.127 0.000 2.488 311 H HA 0.263 4.834 4.556 0.025 0.000 0.347 311 H C -0.148 175.174 175.328 -0.009 0.000 1.174 311 H CA -0.183 55.812 56.048 -0.087 0.000 1.307 311 H CB 2.068 31.878 29.762 0.080 0.000 1.517 311 H HN 0.984 nan 8.280 nan 0.000 0.554 312 W N 2.806 123.899 121.300 -0.345 0.000 2.942 312 W HA -0.023 4.651 4.660 0.023 0.000 0.263 312 W C 0.338 176.735 176.519 -0.204 0.000 1.296 312 W CA -0.149 57.001 57.345 -0.325 0.000 1.504 312 W CB -1.031 28.194 29.460 -0.391 0.000 1.096 312 W HN 0.649 nan 8.180 nan 0.000 0.639 313 Y N 1.616 122.145 120.300 0.382 0.000 2.446 313 Y HA -0.138 4.427 4.550 0.026 0.000 0.287 313 Y C 1.962 177.974 175.900 0.187 0.000 1.159 313 Y CA 1.623 59.834 58.100 0.186 0.000 1.297 313 Y CB -0.675 37.965 38.460 0.300 0.000 0.974 313 Y HN -0.055 nan 8.280 nan 0.000 0.557 314 L N -0.992 120.343 121.223 0.186 0.000 3.229 314 L HA 0.153 4.508 4.340 0.025 0.000 0.286 314 L C 0.762 177.544 176.870 -0.146 0.000 1.239 314 L CA -0.181 54.657 54.840 -0.003 0.000 1.035 314 L CB 0.221 42.259 42.059 -0.034 0.000 1.408 314 L HN -0.031 nan 8.230 nan 0.000 0.593 315 D N 1.685 122.055 120.400 -0.050 0.000 2.157 315 D HA -0.257 4.398 4.640 0.025 0.000 0.191 315 D C 1.892 178.145 176.300 -0.077 0.000 1.004 315 D CA 1.906 55.871 54.000 -0.058 0.000 0.854 315 D CB -0.123 40.651 40.800 -0.044 0.000 0.936 315 D HN 0.498 nan 8.370 nan 0.000 0.446 316 F N -0.392 119.491 119.950 -0.112 0.000 2.604 316 F HA 0.116 4.658 4.527 0.025 0.000 0.298 316 F C 1.621 177.405 175.800 -0.028 0.000 1.131 316 F CA 0.470 58.430 58.000 -0.067 0.000 1.457 316 F CB -0.667 38.290 39.000 -0.073 0.000 1.095 316 F HN -0.073 nan 8.300 nan 0.000 0.574 317 L N 0.330 121.021 121.223 -0.886 0.000 2.585 317 L HA 0.441 4.796 4.340 0.025 0.000 0.226 317 L C 0.776 177.480 176.870 -0.277 0.000 1.113 317 L CA 0.158 54.659 54.840 -0.565 0.000 0.876 317 L CB -0.182 41.510 42.059 -0.612 0.000 1.072 317 L HN 0.217 nan 8.230 nan 0.000 0.468 318 A N 0.871 123.553 122.820 -0.230 0.000 2.709 318 A HA 0.598 4.932 4.320 0.025 0.000 0.332 318 A C -2.567 174.947 177.584 -0.117 0.000 1.241 318 A CA -1.283 50.668 52.037 -0.143 0.000 0.782 318 A CB 0.100 19.024 19.000 -0.127 0.000 1.109 318 A HN -0.138 nan 8.150 nan 0.000 0.472 319 P HA 0.130 nan 4.420 nan 0.000 0.265 319 P C 1.202 178.389 177.300 -0.189 0.000 1.193 319 P CA 0.585 63.616 63.100 -0.116 0.000 0.765 319 P CB 1.006 32.656 31.700 -0.084 0.000 0.823 320 A N 4.425 127.066 122.820 -0.299 0.000 1.948 320 A HA -0.266 4.069 4.320 0.025 0.000 0.220 320 A C 2.094 179.309 177.584 -0.615 0.000 1.177 320 A CA 1.923 53.664 52.037 -0.494 0.000 0.636 320 A CB -1.032 17.517 19.000 -0.752 0.000 0.815 320 A HN 0.591 nan 8.150 nan 0.000 0.449 321 K N -0.377 119.670 120.400 -0.590 0.000 2.002 321 K HA -0.074 4.261 4.320 0.025 0.000 0.209 321 K C 2.154 178.714 176.600 -0.067 0.000 1.048 321 K CA 1.290 57.410 56.287 -0.279 0.000 0.930 321 K CB -0.393 32.083 32.500 -0.041 0.000 0.714 321 K HN 0.340 nan 8.250 nan 0.000 0.438 322 A N 0.493 123.274 122.820 -0.065 0.000 1.978 322 A HA -0.172 4.163 4.320 0.025 0.000 0.220 322 A C 2.067 179.654 177.584 0.005 0.000 1.170 322 A CA 2.364 54.392 52.037 -0.015 0.000 0.636 322 A CB -0.808 18.177 19.000 -0.025 0.000 0.810 322 A HN 0.706 nan 8.150 nan 0.000 0.448 323 T N -2.863 111.681 114.554 -0.018 0.000 3.252 323 T HA 0.199 4.564 4.350 0.025 0.000 0.233 323 T C 1.845 176.578 174.700 0.055 0.000 0.975 323 T CA 0.652 62.760 62.100 0.014 0.000 1.318 323 T CB -0.708 68.149 68.868 -0.018 0.000 1.014 323 T HN 0.148 nan 8.240 nan 0.000 0.418 324 L N 1.441 122.687 121.223 0.038 0.000 2.017 324 L HA 0.116 4.471 4.340 0.025 0.000 0.208 324 L C 3.149 180.163 176.870 0.241 0.000 1.073 324 L CA 1.634 56.552 54.840 0.129 0.000 0.745 324 L CB -1.140 40.989 42.059 0.117 0.000 0.894 324 L HN 0.582 nan 8.230 nan 0.000 0.432 325 G N -0.351 108.591 108.800 0.237 0.000 2.453 325 G HA2 -0.318 3.657 3.960 0.025 0.000 0.215 325 G HA3 -0.318 3.657 3.960 0.025 0.000 0.215 325 G C 1.442 176.472 174.900 0.218 0.000 1.201 325 G CA 0.856 46.171 45.100 0.360 0.000 0.784 325 G HN 0.296 nan 8.290 nan 0.000 0.545 326 E N 0.445 120.724 120.200 0.133 0.000 2.085 326 E HA -0.099 4.266 4.350 0.025 0.000 0.194 326 E C 2.637 179.274 176.600 0.061 0.000 0.994 326 E CA 1.790 58.236 56.400 0.076 0.000 0.801 326 E CB -0.716 29.017 29.700 0.056 0.000 0.743 326 E HN 0.342 nan 8.360 nan 0.000 0.453 327 T N -0.031 114.594 114.554 0.118 0.000 2.746 327 T HA -0.175 4.190 4.350 0.025 0.000 0.267 327 T C 1.669 176.459 174.700 0.149 0.000 1.039 327 T CA 1.382 63.586 62.100 0.173 0.000 1.142 327 T CB -0.524 68.468 68.868 0.208 0.000 0.866 327 T HN 0.393 nan 8.240 nan 0.000 0.444 328 H N 1.386 120.467 119.070 0.019 0.000 2.321 328 H HA -0.005 4.566 4.556 0.025 0.000 0.300 328 H C 2.648 177.894 175.328 -0.137 0.000 1.087 328 H CA 1.557 57.542 56.048 -0.105 0.000 1.319 328 H CB -0.093 29.421 29.762 -0.413 0.000 1.379 328 H HN 0.208 nan 8.280 nan 0.000 0.501 329 R N 0.260 120.675 120.500 -0.142 0.000 2.113 329 R HA -0.166 4.189 4.340 0.025 0.000 0.244 329 R C 2.693 178.815 176.300 -0.295 0.000 1.142 329 R CA 1.924 57.913 56.100 -0.184 0.000 0.953 329 R CB -0.186 30.079 30.300 -0.057 0.000 0.860 329 R HN 0.331 nan 8.270 nan 0.000 0.438 330 L N -1.081 119.921 121.223 -0.368 0.000 2.156 330 L HA -0.027 4.328 4.340 0.025 0.000 0.208 330 L C 0.372 176.577 176.870 -1.107 0.000 1.095 330 L CA 0.842 55.226 54.840 -0.760 0.000 0.770 330 L CB 0.137 41.636 42.059 -0.933 0.000 0.914 330 L HN 0.091 nan 8.230 nan 0.000 0.439 331 F N -1.113 118.768 119.950 -0.115 0.000 2.710 331 F HA 0.301 4.842 4.527 0.025 0.000 0.345 331 F C -1.714 173.972 175.800 -0.190 0.000 1.362 331 F CA -1.569 56.364 58.000 -0.112 0.000 1.175 331 F CB 0.388 39.355 39.000 -0.055 0.000 1.561 331 F HN -0.206 nan 8.300 nan 0.000 0.593 332 P HA -0.165 nan 4.420 nan 0.000 0.218 332 P C 0.541 177.786 177.300 -0.092 0.000 1.148 332 P CA 1.481 64.273 63.100 -0.515 0.000 0.822 332 P CB 0.369 31.825 31.700 -0.406 0.000 0.784 333 N N -0.950 117.749 118.700 -0.000 0.000 2.270 333 N HA 0.038 4.793 4.740 0.025 0.000 0.198 333 N C -0.132 175.398 175.510 0.034 0.000 1.117 333 N CA 0.491 53.566 53.050 0.041 0.000 0.845 333 N CB 0.240 38.746 38.487 0.032 0.000 0.980 333 N HN 0.102 nan 8.380 nan 0.000 0.486 334 T N 2.531 117.117 114.554 0.053 0.000 2.821 334 T HA 0.285 4.650 4.350 0.025 0.000 0.307 334 T C 0.502 175.219 174.700 0.028 0.000 1.034 334 T CA -0.754 61.343 62.100 -0.005 0.000 0.953 334 T CB 0.725 69.588 68.868 -0.009 0.000 0.968 334 T HN 0.107 nan 8.240 nan 0.000 0.462 335 M N 3.274 122.848 119.600 -0.043 0.000 2.250 335 M HA 0.336 4.830 4.480 0.025 0.000 0.337 335 M C -0.772 175.590 176.300 0.103 0.000 1.161 335 M CA 0.306 55.635 55.300 0.048 0.000 1.088 335 M CB -0.308 32.305 32.600 0.021 0.000 1.639 335 M HN 0.338 nan 8.290 nan 0.000 0.447 336 L N 3.569 124.892 121.223 0.167 0.000 2.325 336 L HA 0.698 5.053 4.340 0.025 0.000 0.279 336 L C -0.939 176.083 176.870 0.253 0.000 1.054 336 L CA -0.254 54.694 54.840 0.179 0.000 0.804 336 L CB 1.093 43.254 42.059 0.170 0.000 1.200 336 L HN 0.832 nan 8.230 nan 0.000 0.436 337 F N 2.414 122.396 119.950 0.053 0.000 2.588 337 F HA 0.624 5.166 4.527 0.025 0.000 0.318 337 F C -0.470 175.329 175.800 -0.002 0.000 1.155 337 F CA -0.783 57.247 58.000 0.050 0.000 0.967 337 F CB 1.265 40.341 39.000 0.127 0.000 1.236 337 F HN 0.425 nan 8.300 nan 0.000 0.455 338 A N 3.520 125.895 122.820 -0.741 0.000 2.347 338 A HA 0.467 4.802 4.320 0.025 0.000 0.287 338 A C 0.525 177.524 177.584 -0.974 0.000 1.199 338 A CA 0.347 51.959 52.037 -0.709 0.000 0.851 338 A CB -0.076 18.499 19.000 -0.707 0.000 1.118 338 A HN 1.072 nan 8.150 nan 0.000 0.525 339 S N 1.132 116.534 115.700 -0.497 0.000 2.539 339 S HA 0.320 4.805 4.470 0.025 0.000 0.221 339 S C 0.175 174.532 174.600 -0.406 0.000 0.987 339 S CA 0.122 58.182 58.200 -0.233 0.000 0.929 339 S CB 0.122 63.433 63.200 0.185 0.000 0.832 339 S HN 0.794 nan 8.310 nan 0.000 0.492 340 E N -0.413 119.360 120.200 -0.712 0.000 2.422 340 E HA 0.594 4.959 4.350 0.025 0.000 0.289 340 E C -1.956 174.041 176.600 -1.006 0.000 0.985 340 E CA -0.407 55.476 56.400 -0.861 0.000 0.812 340 E CB 1.808 30.744 29.700 -1.273 0.000 1.226 340 E HN 0.361 nan 8.360 nan 0.000 0.419 341 A N 1.743 123.890 122.820 -1.121 0.000 2.594 341 A HA 0.882 5.217 4.320 0.025 0.000 0.295 341 A C -1.123 175.908 177.584 -0.921 0.000 1.071 341 A CA -0.393 50.640 52.037 -1.673 0.000 0.685 341 A CB 0.990 18.559 19.000 -2.385 0.000 1.285 341 A HN 0.929 nan 8.150 nan 0.000 0.405 342 C N -0.296 118.580 119.300 -0.707 0.000 3.311 342 C HA 0.903 5.377 4.460 0.025 0.000 0.325 342 C C -0.488 174.766 174.990 0.441 0.000 1.352 342 C CA -0.176 58.907 59.018 0.108 0.000 1.308 342 C CB 0.690 28.689 27.740 0.432 0.000 1.619 342 C HN 1.936 nan 8.230 nan 0.000 0.469 343 V N -0.890 119.301 119.914 0.462 0.000 2.994 343 V HA 0.996 5.131 4.120 0.025 0.000 0.318 343 V C 0.801 177.042 176.094 0.246 0.000 1.085 343 V CA 0.260 62.820 62.300 0.433 0.000 0.998 343 V CB 0.815 32.829 31.823 0.317 0.000 1.063 343 V HN 2.912 nan 8.190 nan 0.000 0.447 344 G N 1.031 109.898 108.800 0.112 0.000 2.130 344 G HA2 -0.242 3.733 3.960 0.025 0.000 0.216 344 G HA3 -0.242 3.733 3.960 0.025 0.000 0.216 344 G C 0.690 175.630 174.900 0.068 0.000 0.999 344 G CA 0.520 45.634 45.100 0.023 0.000 0.686 344 G HN 1.307 nan 8.290 nan 0.000 0.515 345 S N -1.164 114.605 115.700 0.115 0.000 2.524 345 S HA 0.310 4.795 4.470 0.025 0.000 0.216 345 S C 1.661 176.332 174.600 0.117 0.000 0.987 345 S CA 1.265 59.579 58.200 0.190 0.000 0.909 345 S CB 0.096 63.518 63.200 0.370 0.000 0.781 345 S HN 0.582 nan 8.310 nan 0.000 0.521 346 K N -0.084 120.279 120.400 -0.063 0.000 2.720 346 K HA 0.425 4.760 4.320 0.025 0.000 0.281 346 K C 0.750 177.343 176.600 -0.013 0.000 1.019 346 K CA -0.060 56.197 56.287 -0.050 0.000 1.088 346 K CB 0.080 32.340 32.500 -0.400 0.000 1.449 346 K HN 0.235 nan 8.250 nan 0.000 0.542 347 F N -2.856 117.137 119.950 0.072 0.000 2.592 347 F HA 0.257 4.799 4.527 0.026 0.000 0.280 347 F C 1.440 177.364 175.800 0.206 0.000 1.083 347 F CA -0.351 57.747 58.000 0.163 0.000 1.365 347 F CB -0.096 39.007 39.000 0.172 0.000 1.100 347 F HN 0.765 nan 8.300 nan 0.000 0.633 348 W N 2.126 123.362 121.300 -0.105 0.000 1.423 348 W HA -0.333 4.341 4.660 0.024 0.000 0.262 348 W C -0.802 175.615 176.519 -0.170 0.000 1.637 348 W CA 1.229 58.335 57.345 -0.398 0.000 2.031 348 W CB -1.509 27.246 29.460 -1.175 0.000 1.175 348 W HN 0.097 nan 8.180 nan 0.000 0.442 349 E N 2.728 122.632 120.200 -0.493 0.000 2.229 349 E HA 0.120 4.485 4.350 0.025 0.000 0.283 349 E C 0.436 176.947 176.600 -0.147 0.000 1.030 349 E CA -0.222 55.858 56.400 -0.533 0.000 0.836 349 E CB 1.272 30.537 29.700 -0.725 0.000 1.068 349 E HN 0.126 nan 8.360 nan 0.000 0.401 350 Q N 1.677 121.442 119.800 -0.057 0.000 2.584 350 Q HA -0.000 4.355 4.340 0.025 0.000 0.235 350 Q C 0.286 176.289 176.000 0.005 0.000 1.079 350 Q CA 0.233 56.048 55.803 0.021 0.000 0.977 350 Q CB 0.878 29.660 28.738 0.073 0.000 1.293 350 Q HN 0.498 nan 8.270 nan 0.000 0.553 351 S N -0.173 115.549 115.700 0.036 0.000 2.357 351 S HA 0.114 4.599 4.470 0.025 0.000 0.209 351 S C -0.254 174.351 174.600 0.008 0.000 1.023 351 S CA 0.053 58.288 58.200 0.059 0.000 0.933 351 S CB 0.600 63.869 63.200 0.116 0.000 0.897 351 S HN 0.488 nan 8.310 nan 0.000 0.529 352 V N 3.497 123.382 119.914 -0.048 0.000 2.334 352 V HA 0.429 4.564 4.120 0.025 0.000 0.281 352 V C -0.517 175.409 176.094 -0.280 0.000 1.016 352 V CA -0.475 61.743 62.300 -0.136 0.000 0.832 352 V CB 1.111 32.852 31.823 -0.138 0.000 0.999 352 V HN 0.280 nan 8.190 nan 0.000 0.439 353 R N 5.102 125.370 120.500 -0.386 0.000 2.471 353 R HA 0.447 4.802 4.340 0.025 0.000 0.292 353 R C -0.680 175.122 176.300 -0.831 0.000 1.192 353 R CA -0.587 54.989 56.100 -0.874 0.000 1.257 353 R CB 0.798 30.773 30.300 -0.542 0.000 1.130 353 R HN 0.602 nan 8.270 nan 0.000 0.558 354 L N 2.288 123.002 121.223 -0.847 0.000 2.700 354 L HA -0.080 4.275 4.340 0.025 0.000 0.276 354 L C 1.275 177.984 176.870 -0.268 0.000 1.200 354 L CA 1.052 55.544 54.840 -0.579 0.000 0.951 354 L CB 0.200 41.672 42.059 -0.979 0.000 1.226 354 L HN 1.008 nan 8.230 nan 0.000 0.489 355 G N 2.237 110.984 108.800 -0.089 0.000 2.137 355 G HA2 -0.283 3.692 3.960 0.025 0.000 0.237 355 G HA3 -0.283 3.692 3.960 0.025 0.000 0.237 355 G C 0.362 175.348 174.900 0.144 0.000 1.002 355 G CA 0.264 45.423 45.100 0.098 0.000 0.702 355 G HN 0.689 nan 8.290 nan 0.000 0.515 356 S N -0.096 115.633 115.700 0.048 0.000 2.466 356 S HA 0.235 4.720 4.470 0.025 0.000 0.286 356 S C 1.289 175.967 174.600 0.130 0.000 1.221 356 S CA 0.410 58.666 58.200 0.093 0.000 1.091 356 S CB -0.085 63.108 63.200 -0.012 0.000 0.956 356 S HN 0.465 nan 8.310 nan 0.000 0.501 357 W N 4.703 126.017 121.300 0.024 0.000 2.388 357 W HA -0.136 4.542 4.660 0.031 0.000 0.294 357 W C 1.433 177.931 176.519 -0.034 0.000 1.212 357 W CA 1.681 59.038 57.345 0.020 0.000 1.271 357 W CB -0.416 29.055 29.460 0.019 0.000 1.126 357 W HN 0.922 nan 8.180 nan 0.000 0.535 358 D N 0.235 120.653 120.400 0.030 0.000 2.116 358 D HA -0.243 4.412 4.640 0.025 0.000 0.193 358 D C 2.153 178.386 176.300 -0.111 0.000 0.998 358 D CA 2.124 56.108 54.000 -0.027 0.000 0.836 358 D CB -0.246 40.578 40.800 0.039 0.000 0.951 358 D HN 0.041 nan 8.370 nan 0.000 0.449 359 R N -0.411 120.025 120.500 -0.106 0.000 2.096 359 R HA 0.029 4.384 4.340 0.025 0.000 0.235 359 R C 2.513 178.658 176.300 -0.258 0.000 1.127 359 R CA 1.133 57.169 56.100 -0.108 0.000 0.968 359 R CB -0.511 29.721 30.300 -0.114 0.000 0.861 359 R HN 0.290 nan 8.270 nan 0.000 0.440 360 G N 1.179 109.691 108.800 -0.479 0.000 2.480 360 G HA2 -0.284 3.690 3.960 0.025 0.000 0.216 360 G HA3 -0.284 3.690 3.960 0.025 0.000 0.216 360 G C 1.429 175.590 174.900 -1.232 0.000 1.200 360 G CA 0.922 45.472 45.100 -0.917 0.000 0.782 360 G HN 0.161 nan 8.290 nan 0.000 0.554 361 M N -0.050 118.924 119.600 -1.043 0.000 2.149 361 M HA -0.110 4.385 4.480 0.025 0.000 0.261 361 M C 2.711 178.996 176.300 -0.025 0.000 1.064 361 M CA 1.299 56.351 55.300 -0.413 0.000 1.102 361 M CB -0.491 32.020 32.600 -0.149 0.000 1.369 361 M HN 0.286 nan 8.290 nan 0.000 0.408 362 Q N -0.391 119.432 119.800 0.038 0.000 2.096 362 Q HA -0.201 4.154 4.340 0.025 0.000 0.204 362 Q C 1.992 178.287 176.000 0.492 0.000 0.982 362 Q CA 1.671 57.641 55.803 0.278 0.000 0.850 362 Q CB -0.184 28.755 28.738 0.334 0.000 0.901 362 Q HN 0.475 nan 8.270 nan 0.000 0.422 363 Y N 0.544 120.919 120.300 0.125 0.000 2.114 363 Y HA -0.248 4.316 4.550 0.024 0.000 0.284 363 Y C 2.880 178.655 175.900 -0.209 0.000 1.143 363 Y CA 1.549 59.630 58.100 -0.030 0.000 1.135 363 Y CB -0.764 37.637 38.460 -0.099 0.000 0.980 363 Y HN 0.202 nan 8.280 nan 0.000 0.499 364 S N -1.199 114.580 115.700 0.132 0.000 2.383 364 S HA -0.231 4.254 4.470 0.025 0.000 0.227 364 S C 2.039 176.677 174.600 0.063 0.000 1.026 364 S CA 1.373 59.675 58.200 0.170 0.000 0.981 364 S CB -0.932 62.640 63.200 0.621 0.000 0.818 364 S HN 0.625 nan 8.310 nan 0.000 0.472 365 H N 1.270 120.389 119.070 0.081 0.000 2.387 365 H HA -0.025 4.545 4.556 0.024 0.000 0.299 365 H C 2.335 177.684 175.328 0.036 0.000 1.090 365 H CA 1.684 57.780 56.048 0.080 0.000 1.332 365 H CB -0.336 29.484 29.762 0.097 0.000 1.386 365 H HN 0.570 nan 8.280 nan 0.000 0.516 366 S N -0.054 115.626 115.700 -0.033 0.000 2.371 366 S HA -0.051 4.434 4.470 0.025 0.000 0.224 366 S C 2.382 176.857 174.600 -0.208 0.000 1.029 366 S CA 0.856 59.062 58.200 0.010 0.000 0.978 366 S CB -0.265 63.223 63.200 0.479 0.000 0.833 366 S HN 0.409 nan 8.310 nan 0.000 0.466 367 I N 1.299 121.474 120.570 -0.658 0.000 2.163 367 I HA -0.173 4.012 4.170 0.025 0.000 0.243 367 I C 2.222 178.012 176.117 -0.546 0.000 1.085 367 I CA 1.367 62.093 61.300 -0.958 0.000 1.347 367 I CB -0.384 36.617 38.000 -1.666 0.000 1.044 367 I HN 0.321 nan 8.210 nan 0.000 0.408 368 I N 0.090 120.411 120.570 -0.416 0.000 2.179 368 I HA -0.290 3.895 4.170 0.025 0.000 0.242 368 I C 2.509 178.553 176.117 -0.122 0.000 1.088 368 I CA 1.643 62.858 61.300 -0.141 0.000 1.357 368 I CB -0.582 37.428 38.000 0.017 0.000 1.051 368 I HN 0.224 nan 8.210 nan 0.000 0.409 369 T N 0.355 114.802 114.554 -0.178 0.000 2.788 369 T HA -0.146 4.219 4.350 0.025 0.000 0.268 369 T C 1.758 176.498 174.700 0.066 0.000 1.044 369 T CA 1.261 63.329 62.100 -0.053 0.000 1.139 369 T CB -0.363 68.422 68.868 -0.137 0.000 0.867 369 T HN 0.347 nan 8.240 nan 0.000 0.454 370 N N 1.117 119.829 118.700 0.020 0.000 2.084 370 N HA -0.010 4.745 4.740 0.025 0.000 0.190 370 N C 1.875 177.407 175.510 0.036 0.000 1.030 370 N CA 1.049 54.144 53.050 0.076 0.000 0.849 370 N CB -0.275 38.298 38.487 0.143 0.000 1.012 370 N HN 0.349 nan 8.380 nan 0.000 0.423 371 L N 1.006 122.215 121.223 -0.023 0.000 2.265 371 L HA -0.079 4.275 4.340 0.025 0.000 0.215 371 L C 2.001 178.784 176.870 -0.144 0.000 1.117 371 L CA 0.549 55.367 54.840 -0.037 0.000 0.782 371 L CB -0.223 41.844 42.059 0.014 0.000 0.914 371 L HN 0.148 nan 8.230 nan 0.000 0.441 372 L N -1.748 119.373 121.223 -0.169 0.000 2.554 372 L HA -0.079 4.276 4.340 0.025 0.000 0.226 372 L C 0.428 176.815 176.870 -0.806 0.000 1.137 372 L CA 0.443 55.034 54.840 -0.415 0.000 0.863 372 L CB 0.061 41.933 42.059 -0.311 0.000 0.985 372 L HN 0.216 nan 8.230 nan 0.000 0.451 373 Y N -1.099 119.006 120.300 -0.324 0.000 2.634 373 Y HA 0.258 4.822 4.550 0.024 0.000 0.292 373 Y C 0.363 176.102 175.900 -0.269 0.000 0.996 373 Y CA -0.653 57.221 58.100 -0.376 0.000 1.165 373 Y CB -0.219 38.180 38.460 -0.101 0.000 1.194 373 Y HN 0.142 nan 8.280 nan 0.000 0.585 374 H N -2.984 116.023 119.070 -0.105 0.000 3.628 374 H HA -0.142 4.429 4.556 0.026 0.000 0.173 374 H C -0.010 175.304 175.328 -0.023 0.000 0.941 374 H CA 0.553 56.516 56.048 -0.142 0.000 1.224 374 H CB -1.446 28.137 29.762 -0.298 0.000 0.992 374 H HN 0.111 nan 8.280 nan 0.000 0.383 375 V N 2.807 122.780 119.914 0.099 0.000 2.583 375 V HA 0.093 4.228 4.120 0.025 0.000 0.287 375 V C 1.981 178.125 176.094 0.083 0.000 1.051 375 V CA 0.635 62.996 62.300 0.102 0.000 1.010 375 V CB 1.661 33.527 31.823 0.073 0.000 0.988 375 V HN 0.305 nan 8.190 nan 0.000 0.478 376 V N 1.759 121.754 119.914 0.135 0.000 3.608 376 V HA 0.618 4.753 4.120 0.025 0.000 0.269 376 V C 0.693 176.819 176.094 0.054 0.000 1.245 376 V CA 1.039 63.418 62.300 0.130 0.000 1.138 376 V CB -0.308 31.630 31.823 0.193 0.000 0.841 376 V HN 0.947 nan 8.190 nan 0.000 0.451 377 G N -1.521 107.262 108.800 -0.028 0.000 2.550 377 G HA2 0.477 4.452 3.960 0.025 0.000 0.293 377 G HA3 0.477 4.452 3.960 0.025 0.000 0.293 377 G C -2.647 171.886 174.900 -0.611 0.000 1.402 377 G CA -0.579 44.298 45.100 -0.372 0.000 0.784 377 G HN 0.301 nan 8.290 nan 0.000 0.482 378 W N 0.773 121.563 121.300 -0.849 0.000 3.132 378 W HA 0.586 5.263 4.660 0.028 0.000 0.337 378 W C -0.791 175.455 176.519 -0.455 0.000 1.082 378 W CA -0.406 56.567 57.345 -0.620 0.000 1.242 378 W CB 2.246 31.497 29.460 -0.347 0.000 1.354 378 W HN 0.552 nan 8.180 nan 0.000 0.461 379 T N 4.125 118.322 114.554 -0.596 0.000 2.791 379 T HA 0.130 4.494 4.350 0.025 0.000 0.288 379 T C -0.484 173.867 174.700 -0.582 0.000 0.999 379 T CA -0.489 61.391 62.100 -0.368 0.000 0.952 379 T CB 1.242 70.018 68.868 -0.154 0.000 0.938 379 T HN 0.346 nan 8.240 nan 0.000 0.444 380 D N 1.323 121.564 120.400 -0.264 0.000 2.362 380 D HA 0.064 4.719 4.640 0.025 0.000 0.238 380 D C 0.349 176.642 176.300 -0.012 0.000 1.212 380 D CA -0.340 53.571 54.000 -0.148 0.000 0.902 380 D CB 0.785 41.703 40.800 0.196 0.000 1.180 380 D HN 0.568 nan 8.370 nan 0.000 0.445 381 W N 1.530 122.702 121.300 -0.213 0.000 1.648 381 W HA 0.100 4.775 4.660 0.024 0.000 0.636 381 W C 0.287 176.730 176.519 -0.127 0.000 1.514 381 W CA -0.761 56.485 57.345 -0.165 0.000 1.535 381 W CB 0.070 29.441 29.460 -0.149 0.000 3.325 381 W HN 0.233 nan 8.180 nan 0.000 0.781 382 N N 2.828 121.084 118.700 -0.740 0.000 2.223 382 N HA -0.148 4.607 4.740 0.025 0.000 0.271 382 N C 1.005 176.372 175.510 -0.238 0.000 1.315 382 N CA 0.651 53.290 53.050 -0.685 0.000 0.835 382 N CB 0.692 38.630 38.487 -0.915 0.000 1.066 382 N HN 0.357 nan 8.380 nan 0.000 0.486 383 L N 1.184 122.317 121.223 -0.149 0.000 2.051 383 L HA -0.205 4.150 4.340 0.025 0.000 0.214 383 L C 1.126 178.063 176.870 0.111 0.000 1.076 383 L CA 1.325 56.141 54.840 -0.040 0.000 0.758 383 L CB -0.216 41.818 42.059 -0.042 0.000 0.890 383 L HN 0.639 nan 8.230 nan 0.000 0.433 384 A N -1.284 121.537 122.820 0.003 0.000 2.594 384 A HA 0.766 5.101 4.320 0.025 0.000 0.295 384 A C -1.204 176.348 177.584 -0.053 0.000 1.071 384 A CA -0.502 51.541 52.037 0.010 0.000 0.685 384 A CB 1.549 20.550 19.000 0.002 0.000 1.285 384 A HN 0.007 nan 8.150 nan 0.000 0.405 385 L N 0.752 121.959 121.223 -0.026 0.000 2.341 385 L HA 0.468 4.823 4.340 0.025 0.000 0.254 385 L C -0.135 176.736 176.870 0.001 0.000 1.040 385 L CA -1.214 53.618 54.840 -0.014 0.000 0.837 385 L CB 2.253 44.308 42.059 -0.007 0.000 1.425 385 L HN 0.984 nan 8.230 nan 0.000 0.414 386 N N 0.138 118.841 118.700 0.005 0.000 2.381 386 N HA 0.213 4.968 4.740 0.025 0.000 0.254 386 N C -2.302 173.184 175.510 -0.040 0.000 1.264 386 N CA -1.484 51.558 53.050 -0.014 0.000 0.942 386 N CB -0.035 38.438 38.487 -0.023 0.000 1.190 386 N HN 0.198 nan 8.380 nan 0.000 0.495 387 P HA -0.109 nan 4.420 nan 0.000 0.228 387 P C 0.659 177.876 177.300 -0.137 0.000 1.151 387 P CA 1.141 64.192 63.100 -0.081 0.000 0.770 387 P CB 0.143 31.812 31.700 -0.052 0.000 0.786 388 E N -0.442 119.635 120.200 -0.204 0.000 2.371 388 E HA 0.054 4.419 4.350 0.025 0.000 0.194 388 E C 0.807 177.149 176.600 -0.429 0.000 1.012 388 E CA 0.634 56.803 56.400 -0.385 0.000 0.860 388 E CB -0.325 29.028 29.700 -0.580 0.000 0.811 388 E HN 0.162 nan 8.360 nan 0.000 0.502 389 G N -0.082 108.604 108.800 -0.191 0.000 2.141 389 G HA2 -0.150 3.825 3.960 0.025 0.000 0.195 389 G HA3 -0.150 3.825 3.960 0.025 0.000 0.195 389 G C 0.104 175.209 174.900 0.342 0.000 1.012 389 G CA -0.022 45.122 45.100 0.073 0.000 0.696 389 G HN 0.590 nan 8.290 nan 0.000 0.508 390 G N -0.835 108.066 108.800 0.168 0.000 3.058 390 G HA2 0.879 4.854 3.960 0.025 0.000 0.282 390 G HA3 0.879 4.854 3.960 0.025 0.000 0.282 390 G C -2.971 172.054 174.900 0.208 0.000 1.248 390 G CA -0.414 44.911 45.100 0.374 0.000 0.822 390 G HN 0.229 nan 8.290 nan 0.000 0.579 391 P HA 0.181 nan 4.420 nan 0.000 0.272 391 P C -1.060 176.341 177.300 0.168 0.000 1.230 391 P CA -0.151 63.084 63.100 0.225 0.000 0.788 391 P CB 1.069 32.856 31.700 0.144 0.000 0.949 392 N N 1.739 120.490 118.700 0.085 0.000 2.572 392 N HA 0.038 4.793 4.740 0.025 0.000 0.287 392 N C 0.893 176.225 175.510 -0.297 0.000 1.136 392 N CA -0.566 52.247 53.050 -0.394 0.000 0.900 392 N CB 0.886 38.816 38.487 -0.929 0.000 1.484 392 N HN 0.555 nan 8.380 nan 0.000 0.526 393 W N 3.735 124.865 121.300 -0.284 0.000 2.468 393 W HA 0.057 4.732 4.660 0.025 0.000 0.262 393 W C -0.369 176.029 176.519 -0.202 0.000 1.241 393 W CA 0.352 57.591 57.345 -0.176 0.000 1.232 393 W CB -0.336 29.055 29.460 -0.115 0.000 1.124 393 W HN 0.253 nan 8.180 nan 0.000 0.597 394 V N 1.886 121.210 119.914 -0.982 0.000 3.380 394 V HA 0.214 4.349 4.120 0.025 0.000 0.307 394 V C 1.166 176.822 176.094 -0.730 0.000 1.434 394 V CA -0.066 61.645 62.300 -0.982 0.000 1.075 394 V CB -0.599 30.433 31.823 -1.318 0.000 0.954 394 V HN 0.136 nan 8.190 nan 0.000 0.444 395 R N 0.933 120.907 120.500 -0.876 0.000 3.776 395 R HA -0.200 4.155 4.340 0.025 0.000 0.312 395 R C 0.638 176.183 176.300 -1.258 0.000 1.181 395 R CA 1.027 56.330 56.100 -1.328 0.000 0.836 395 R CB -2.141 27.762 30.300 -0.662 0.000 1.324 395 R HN 0.657 nan 8.270 nan 0.000 0.501 396 N N 1.109 119.223 118.700 -0.976 0.000 3.298 396 N HA 0.073 4.828 4.740 0.025 0.000 0.292 396 N C -0.686 174.629 175.510 -0.326 0.000 1.271 396 N CA -0.188 52.541 53.050 -0.536 0.000 1.184 396 N CB 0.178 38.417 38.487 -0.414 0.000 1.452 396 N HN -0.029 nan 8.380 nan 0.000 0.534 397 F N 0.901 120.833 119.950 -0.031 0.000 2.389 397 F HA 0.277 4.819 4.527 0.025 0.000 0.337 397 F C 1.016 176.941 175.800 0.209 0.000 1.112 397 F CA -0.566 57.494 58.000 0.099 0.000 1.192 397 F CB 0.970 39.999 39.000 0.047 0.000 1.185 397 F HN -0.015 nan 8.300 nan 0.000 0.552 398 V N -1.862 118.351 119.914 0.497 0.000 3.103 398 V HA 0.603 4.738 4.120 0.025 0.000 0.311 398 V C -0.974 175.241 176.094 0.202 0.000 1.322 398 V CA -1.006 61.495 62.300 0.335 0.000 1.063 398 V CB 1.704 33.769 31.823 0.402 0.000 1.090 398 V HN 0.516 nan 8.190 nan 0.000 0.462 399 D N 0.142 120.628 120.400 0.144 0.000 2.387 399 D HA 0.711 5.366 4.640 0.025 0.000 0.251 399 D C -0.565 175.758 176.300 0.037 0.000 1.141 399 D CA 0.334 54.367 54.000 0.055 0.000 0.987 399 D CB 1.889 42.694 40.800 0.009 0.000 1.116 399 D HN 0.949 nan 8.370 nan 0.000 0.491 400 S N -0.083 115.617 115.700 -0.001 0.000 2.533 400 S HA 0.422 4.907 4.470 0.025 0.000 0.271 400 S C -2.311 172.311 174.600 0.037 0.000 1.143 400 S CA -1.173 57.037 58.200 0.017 0.000 0.891 400 S CB 1.782 64.972 63.200 -0.016 0.000 1.105 400 S HN 0.063 nan 8.310 nan 0.000 0.468 401 P HA 0.079 nan 4.420 nan 0.000 0.217 401 P C -0.308 177.088 177.300 0.160 0.000 1.148 401 P CA 1.200 64.401 63.100 0.168 0.000 0.828 401 P CB 0.083 31.993 31.700 0.351 0.000 0.783 402 I N -0.422 120.236 120.570 0.147 0.000 2.466 402 I HA 0.236 4.421 4.170 0.025 0.000 0.289 402 I C -0.525 175.630 176.117 0.064 0.000 1.026 402 I CA -0.914 60.430 61.300 0.073 0.000 1.078 402 I CB 2.209 40.199 38.000 -0.017 0.000 1.249 402 I HN -0.279 nan 8.210 nan 0.000 0.429 403 I N 6.987 127.612 120.570 0.091 0.000 2.378 403 I HA 0.349 4.534 4.170 0.025 0.000 0.291 403 I C -0.009 176.147 176.117 0.066 0.000 0.992 403 I CA -0.747 60.601 61.300 0.081 0.000 1.154 403 I CB 1.870 39.931 38.000 0.103 0.000 1.315 403 I HN 0.118 nan 8.210 nan 0.000 0.448 404 V N 5.585 125.514 119.914 0.025 0.000 2.407 404 V HA 0.276 4.411 4.120 0.025 0.000 0.278 404 V C -0.055 176.037 176.094 -0.004 0.000 1.037 404 V CA -0.462 61.838 62.300 0.000 0.000 0.900 404 V CB 1.822 33.640 31.823 -0.008 0.000 0.983 404 V HN 0.596 nan 8.190 nan 0.000 0.459 405 D N 4.304 124.676 120.400 -0.047 0.000 2.477 405 D HA 0.365 5.020 4.640 0.025 0.000 0.239 405 D C 0.979 177.281 176.300 0.004 0.000 1.102 405 D CA -0.259 53.746 54.000 0.008 0.000 0.901 405 D CB 1.032 41.871 40.800 0.066 0.000 1.026 405 D HN 0.440 nan 8.370 nan 0.000 0.515 406 I N 1.329 121.908 120.570 0.014 0.000 2.361 406 I HA -0.239 3.946 4.170 0.025 0.000 0.251 406 I C 2.404 178.531 176.117 0.017 0.000 1.133 406 I CA 1.241 62.550 61.300 0.014 0.000 1.413 406 I CB -0.030 37.978 38.000 0.014 0.000 1.073 406 I HN 0.391 nan 8.210 nan 0.000 0.424 407 T N -0.831 113.738 114.554 0.024 0.000 2.985 407 T HA -0.068 4.297 4.350 0.025 0.000 0.266 407 T C 1.578 176.294 174.700 0.027 0.000 1.076 407 T CA 0.682 62.798 62.100 0.027 0.000 1.135 407 T CB 0.015 68.903 68.868 0.033 0.000 0.890 407 T HN 0.180 nan 8.240 nan 0.000 0.480 408 K N 1.034 121.451 120.400 0.029 0.000 2.387 408 K HA 0.127 4.461 4.320 0.025 0.000 0.198 408 K C 0.537 177.137 176.600 0.000 0.000 1.022 408 K CA 0.415 56.716 56.287 0.023 0.000 1.128 408 K CB -0.220 32.309 32.500 0.047 0.000 0.853 408 K HN 0.366 nan 8.250 nan 0.000 0.523 409 D N 2.270 122.672 120.400 0.004 0.000 2.739 409 D HA -0.163 4.492 4.640 0.025 0.000 0.230 409 D C -0.500 175.792 176.300 -0.013 0.000 1.167 409 D CA 1.339 55.343 54.000 0.007 0.000 0.640 409 D CB -0.685 40.122 40.800 0.012 0.000 1.045 409 D HN 0.443 nan 8.370 nan 0.000 0.421 410 T N -1.683 112.831 114.554 -0.066 0.000 2.924 410 T HA 0.725 5.090 4.350 0.025 0.000 0.291 410 T C -0.296 174.247 174.700 -0.262 0.000 1.045 410 T CA -0.861 61.121 62.100 -0.197 0.000 1.015 410 T CB 1.409 70.126 68.868 -0.252 0.000 1.103 410 T HN 0.298 nan 8.240 nan 0.000 0.496 411 F N -0.205 119.480 119.950 -0.442 0.000 2.588 411 F HA 0.780 5.322 4.527 0.025 0.000 0.314 411 F C -1.823 173.639 175.800 -0.563 0.000 1.069 411 F CA -1.752 55.937 58.000 -0.517 0.000 0.931 411 F CB 1.194 40.034 39.000 -0.266 0.000 1.260 411 F HN 0.573 nan 8.300 nan 0.000 0.465 412 Y N 1.241 121.610 120.300 0.115 0.000 2.328 412 Y HA 0.485 5.050 4.550 0.025 0.000 0.337 412 Y C -0.362 175.565 175.900 0.045 0.000 0.966 412 Y CA -1.035 57.085 58.100 0.034 0.000 1.136 412 Y CB 1.779 40.239 38.460 -0.001 0.000 1.170 412 Y HN 0.459 nan 8.280 nan 0.000 0.470 413 K N 4.258 124.735 120.400 0.128 0.000 2.262 413 K HA 0.217 4.552 4.320 0.025 0.000 0.282 413 K C -0.312 176.418 176.600 0.217 0.000 1.066 413 K CA -0.488 55.788 56.287 -0.018 0.000 0.901 413 K CB 0.772 33.030 32.500 -0.404 0.000 1.089 413 K HN 0.604 nan 8.250 nan 0.000 0.476 414 Q N 2.773 122.693 119.800 0.201 0.000 2.317 414 Q HA 0.078 4.433 4.340 0.025 0.000 0.229 414 Q C -1.653 174.588 176.000 0.401 0.000 0.984 414 Q CA -1.923 54.019 55.803 0.231 0.000 0.911 414 Q CB 0.388 29.181 28.738 0.092 0.000 1.217 414 Q HN 0.283 nan 8.270 nan 0.000 0.501 415 P HA -0.224 nan 4.420 nan 0.000 0.218 415 P C 1.070 178.542 177.300 0.288 0.000 1.147 415 P CA 1.732 65.077 63.100 0.409 0.000 0.827 415 P CB 0.100 31.963 31.700 0.271 0.000 0.778 416 M N -3.124 116.511 119.600 0.059 0.000 2.175 416 M HA -0.135 4.360 4.480 0.025 0.000 0.264 416 M C 1.995 178.374 176.300 0.132 0.000 1.063 416 M CA 1.592 56.822 55.300 -0.117 0.000 1.119 416 M CB -0.767 31.517 32.600 -0.526 0.000 1.377 416 M HN -0.096 nan 8.290 nan 0.000 0.415 417 F N 0.451 120.418 119.950 0.027 0.000 2.065 417 F HA -0.305 4.235 4.527 0.023 0.000 0.298 417 F C 1.892 177.587 175.800 -0.174 0.000 1.112 417 F CA 1.837 59.775 58.000 -0.103 0.000 1.212 417 F CB -0.447 38.331 39.000 -0.370 0.000 0.975 417 F HN 0.025 nan 8.300 nan 0.000 0.476 418 Y N -0.823 119.690 120.300 0.355 0.000 2.242 418 Y HA -0.222 4.345 4.550 0.027 0.000 0.291 418 Y C 2.800 178.821 175.900 0.201 0.000 1.137 418 Y CA 1.796 60.049 58.100 0.255 0.000 1.181 418 Y CB -0.979 37.694 38.460 0.355 0.000 0.989 418 Y HN 0.188 nan 8.280 nan 0.000 0.527 419 H N -0.555 118.687 119.070 0.287 0.000 2.326 419 H HA -0.124 4.447 4.556 0.025 0.000 0.301 419 H C 2.369 177.878 175.328 0.302 0.000 1.081 419 H CA 1.615 57.817 56.048 0.257 0.000 1.334 419 H CB -0.368 29.454 29.762 0.099 0.000 1.385 419 H HN 0.327 nan 8.280 nan 0.000 0.504 420 L N 0.049 121.460 121.223 0.312 0.000 2.042 420 L HA -0.135 4.220 4.340 0.025 0.000 0.210 420 L C 2.732 179.648 176.870 0.076 0.000 1.076 420 L CA 1.350 56.312 54.840 0.203 0.000 0.749 420 L CB -0.495 41.702 42.059 0.229 0.000 0.893 420 L HN 0.292 nan 8.230 nan 0.000 0.432 421 G N -2.362 106.367 108.800 -0.118 0.000 2.443 421 G HA2 -0.239 3.736 3.960 0.025 0.000 0.219 421 G HA3 -0.239 3.736 3.960 0.025 0.000 0.219 421 G C 1.319 176.035 174.900 -0.307 0.000 1.131 421 G CA 0.223 45.136 45.100 -0.311 0.000 0.775 421 G HN 0.433 nan 8.290 nan 0.000 0.547 422 H N -0.724 118.259 119.070 -0.145 0.000 2.518 422 H HA -0.011 4.559 4.556 0.024 0.000 0.292 422 H C 1.673 176.729 175.328 -0.453 0.000 1.068 422 H CA 1.036 56.964 56.048 -0.201 0.000 1.275 422 H CB 0.101 29.657 29.762 -0.343 0.000 1.375 422 H HN 0.495 nan 8.280 nan 0.000 0.563 423 F N -0.397 119.458 119.950 -0.159 0.000 2.482 423 F HA -0.061 4.483 4.527 0.027 0.000 0.278 423 F C 2.798 178.137 175.800 -0.768 0.000 0.969 423 F CA 0.595 58.315 58.000 -0.467 0.000 1.223 423 F CB -0.583 37.991 39.000 -0.711 0.000 1.140 423 F HN -0.011 nan 8.300 nan 0.000 0.672 424 S N 0.590 115.924 115.700 -0.610 0.000 2.370 424 S HA -0.267 4.218 4.470 0.025 0.000 0.226 424 S C 1.981 176.354 174.600 -0.378 0.000 1.033 424 S CA 1.536 59.441 58.200 -0.491 0.000 1.011 424 S CB -0.691 62.469 63.200 -0.066 0.000 0.852 424 S HN 0.337 nan 8.310 nan 0.000 0.457 425 K N 0.088 120.134 120.400 -0.589 0.000 2.283 425 K HA 0.060 4.395 4.320 0.025 0.000 0.202 425 K C 0.518 176.552 176.600 -0.944 0.000 1.048 425 K CA 1.080 56.812 56.287 -0.926 0.000 0.948 425 K CB -0.122 31.471 32.500 -1.511 0.000 0.742 425 K HN 0.594 nan 8.250 nan 0.000 0.458 426 F N -0.274 119.522 119.950 -0.256 0.000 2.688 426 F HA 0.309 4.852 4.527 0.028 0.000 0.310 426 F C 0.094 175.852 175.800 -0.070 0.000 1.098 426 F CA -0.507 57.405 58.000 -0.147 0.000 1.228 426 F CB 0.981 39.885 39.000 -0.161 0.000 1.042 426 F HN -0.194 nan 8.300 nan 0.000 0.557 427 I N 2.645 123.205 120.570 -0.016 0.000 2.714 427 I HA 0.241 4.426 4.170 0.025 0.000 0.276 427 I C -2.565 173.552 176.117 -0.001 0.000 1.196 427 I CA -1.864 59.443 61.300 0.013 0.000 1.068 427 I CB 0.971 39.085 38.000 0.189 0.000 1.291 427 I HN -0.230 nan 8.210 nan 0.000 0.530 428 P HA 0.056 nan 4.420 nan 0.000 0.273 428 P C -0.070 177.218 177.300 -0.019 0.000 1.250 428 P CA -0.201 62.847 63.100 -0.086 0.000 0.793 428 P CB 0.753 32.365 31.700 -0.148 0.000 1.011 429 E N -0.199 119.996 120.200 -0.009 0.000 2.502 429 E HA 0.144 4.509 4.350 0.025 0.000 0.261 429 E C 1.080 177.669 176.600 -0.017 0.000 0.974 429 E CA 1.101 57.486 56.400 -0.025 0.000 0.936 429 E CB -0.662 29.002 29.700 -0.060 0.000 0.926 429 E HN 0.770 nan 8.360 nan 0.000 0.459 430 G N 2.928 111.727 108.800 -0.003 0.000 2.199 430 G HA2 -0.287 3.688 3.960 0.025 0.000 0.254 430 G HA3 -0.287 3.688 3.960 0.025 0.000 0.254 430 G C 0.185 175.103 174.900 0.030 0.000 0.982 430 G CA 0.201 45.310 45.100 0.014 0.000 0.632 430 G HN 0.590 nan 8.290 nan 0.000 0.529 431 S N 0.247 115.964 115.700 0.030 0.000 2.560 431 S HA 0.409 4.894 4.470 0.025 0.000 0.284 431 S C 0.243 174.895 174.600 0.086 0.000 1.327 431 S CA 0.436 58.672 58.200 0.059 0.000 1.055 431 S CB 1.539 64.774 63.200 0.059 0.000 0.868 431 S HN 0.681 nan 8.310 nan 0.000 0.506 432 Q N 2.214 122.070 119.800 0.092 0.000 2.322 432 Q HA 0.315 4.670 4.340 0.025 0.000 0.265 432 Q C -0.217 175.859 176.000 0.127 0.000 0.985 432 Q CA -0.771 55.092 55.803 0.100 0.000 0.849 432 Q CB 0.894 29.675 28.738 0.071 0.000 1.274 432 Q HN 0.591 nan 8.270 nan 0.000 0.449 433 R N 2.724 123.323 120.500 0.165 0.000 2.590 433 R HA 0.295 4.650 4.340 0.025 0.000 0.274 433 R C -0.596 175.884 176.300 0.300 0.000 1.061 433 R CA 0.202 56.422 56.100 0.201 0.000 1.081 433 R CB 0.471 30.872 30.300 0.167 0.000 0.984 433 R HN 0.554 nan 8.270 nan 0.000 0.448 434 V N 0.349 120.428 119.914 0.275 0.000 3.156 434 V HA 0.720 4.855 4.120 0.025 0.000 0.310 434 V C 0.203 176.503 176.094 0.343 0.000 1.234 434 V CA -0.717 61.760 62.300 0.294 0.000 1.065 434 V CB 1.261 33.153 31.823 0.115 0.000 1.088 434 V HN 0.844 nan 8.190 nan 0.000 0.451 435 G N 0.010 109.007 108.800 0.329 0.000 2.544 435 G HA2 0.519 4.494 3.960 0.025 0.000 0.242 435 G HA3 0.519 4.494 3.960 0.025 0.000 0.242 435 G C -0.987 173.997 174.900 0.140 0.000 1.247 435 G CA 0.037 45.301 45.100 0.273 0.000 0.840 435 G HN 1.442 nan 8.290 nan 0.000 0.578 436 L N 2.209 123.490 121.223 0.096 0.000 2.727 436 L HA 0.314 4.669 4.340 0.025 0.000 0.255 436 L C -0.625 176.271 176.870 0.043 0.000 0.983 436 L CA -0.382 54.497 54.840 0.066 0.000 0.945 436 L CB 1.731 43.830 42.059 0.067 0.000 1.242 436 L HN 0.357 nan 8.230 nan 0.000 0.449 437 V N 3.626 123.565 119.914 0.042 0.000 2.465 437 V HA 0.813 4.948 4.120 0.025 0.000 0.279 437 V C 0.901 177.012 176.094 0.029 0.000 1.045 437 V CA 0.006 62.327 62.300 0.035 0.000 0.938 437 V CB 1.209 33.055 31.823 0.039 0.000 0.986 437 V HN 0.843 nan 8.190 nan 0.000 0.467 438 A N 3.488 126.324 122.820 0.027 0.000 2.293 438 A HA 0.563 4.898 4.320 0.025 0.000 0.302 438 A C 1.200 178.802 177.584 0.029 0.000 1.119 438 A CA 0.215 52.267 52.037 0.025 0.000 0.823 438 A CB 0.956 19.971 19.000 0.025 0.000 1.097 438 A HN 1.106 nan 8.150 nan 0.000 0.491 439 S N 0.263 115.982 115.700 0.030 0.000 2.501 439 S HA 0.156 4.641 4.470 0.025 0.000 0.220 439 S C 0.447 175.067 174.600 0.033 0.000 0.997 439 S CA 0.674 58.896 58.200 0.037 0.000 0.919 439 S CB -0.326 62.903 63.200 0.049 0.000 0.778 439 S HN 0.917 nan 8.310 nan 0.000 0.523 440 Q N -0.477 119.341 119.800 0.029 0.000 2.522 440 Q HA 0.458 4.813 4.340 0.025 0.000 0.285 440 Q C -1.637 174.378 176.000 0.026 0.000 0.982 440 Q CA -1.229 54.590 55.803 0.027 0.000 0.805 440 Q CB 0.811 29.564 28.738 0.025 0.000 1.457 440 Q HN -0.078 nan 8.270 nan 0.000 0.394 441 K N 1.279 121.694 120.400 0.026 0.000 2.518 441 K HA 0.069 4.404 4.320 0.025 0.000 0.276 441 K C -0.496 176.119 176.600 0.025 0.000 0.974 441 K CA 1.032 57.335 56.287 0.027 0.000 0.986 441 K CB 0.043 32.559 32.500 0.027 0.000 0.901 441 K HN 0.827 nan 8.250 nan 0.000 0.497 442 N N -0.753 117.964 118.700 0.029 0.000 2.927 442 N HA 0.137 4.892 4.740 0.025 0.000 0.248 442 N C -1.156 174.375 175.510 0.034 0.000 1.443 442 N CA -0.826 52.239 53.050 0.026 0.000 0.870 442 N CB 1.054 39.556 38.487 0.025 0.000 1.444 442 N HN 0.262 nan 8.380 nan 0.000 0.519 443 D N -0.005 120.412 120.400 0.029 0.000 2.336 443 D HA 0.182 4.837 4.640 0.025 0.000 0.228 443 D C -0.112 176.219 176.300 0.052 0.000 1.120 443 D CA 0.201 54.222 54.000 0.036 0.000 0.839 443 D CB 0.313 41.124 40.800 0.018 0.000 0.932 443 D HN 0.340 nan 8.370 nan 0.000 0.509 444 L N 0.558 121.814 121.223 0.055 0.000 2.375 444 L HA 0.318 4.673 4.340 0.025 0.000 0.268 444 L C 0.349 177.281 176.870 0.102 0.000 1.058 444 L CA -0.569 54.313 54.840 0.070 0.000 0.803 444 L CB 1.267 43.356 42.059 0.050 0.000 1.212 444 L HN -0.246 nan 8.230 nan 0.000 0.451 445 D N 1.553 122.032 120.400 0.131 0.000 2.408 445 D HA 0.605 5.260 4.640 0.025 0.000 0.243 445 D C -0.801 175.578 176.300 0.131 0.000 1.075 445 D CA -0.056 54.034 54.000 0.150 0.000 0.832 445 D CB 2.343 43.277 40.800 0.223 0.000 1.162 445 D HN 0.569 nan 8.370 nan 0.000 0.515 446 A N 1.621 124.504 122.820 0.106 0.000 2.539 446 A HA 0.738 5.073 4.320 0.025 0.000 0.296 446 A C -1.421 176.220 177.584 0.095 0.000 1.073 446 A CA -0.776 51.326 52.037 0.108 0.000 0.700 446 A CB 2.334 21.388 19.000 0.089 0.000 1.296 446 A HN 0.341 nan 8.150 nan 0.000 0.405 447 V N 0.336 120.321 119.914 0.118 0.000 2.891 447 V HA 0.755 4.890 4.120 0.025 0.000 0.304 447 V C -0.501 175.665 176.094 0.119 0.000 1.171 447 V CA 0.231 62.593 62.300 0.103 0.000 0.943 447 V CB 1.735 33.636 31.823 0.131 0.000 1.037 447 V HN 2.047 nan 8.190 nan 0.000 0.427 448 A N 6.377 129.257 122.820 0.101 0.000 2.325 448 A HA 1.023 5.358 4.320 0.025 0.000 0.333 448 A C -1.363 176.283 177.584 0.102 0.000 1.155 448 A CA -0.526 51.571 52.037 0.100 0.000 0.814 448 A CB 1.385 20.447 19.000 0.102 0.000 1.206 448 A HN 0.967 nan 8.150 nan 0.000 0.482 449 L N 0.440 121.712 121.223 0.081 0.000 2.479 449 L HA 0.638 4.993 4.340 0.025 0.000 0.255 449 L C -0.478 176.427 176.870 0.058 0.000 1.026 449 L CA -0.159 54.743 54.840 0.102 0.000 0.842 449 L CB 2.028 44.179 42.059 0.153 0.000 1.444 449 L HN 0.735 nan 8.230 nan 0.000 0.409 450 M N 0.429 120.077 119.600 0.079 0.000 2.243 450 M HA 0.435 4.930 4.480 0.025 0.000 0.324 450 M C -0.617 175.779 176.300 0.160 0.000 1.031 450 M CA -0.383 54.950 55.300 0.054 0.000 0.949 450 M CB 1.554 34.155 32.600 0.001 0.000 1.615 450 M HN 0.504 nan 8.290 nan 0.000 0.430 451 H N 2.966 122.017 119.070 -0.032 0.000 2.836 451 H HA 0.001 4.572 4.556 0.025 0.000 0.368 451 H C -1.599 173.725 175.328 -0.006 0.000 1.164 451 H CA -1.189 54.862 56.048 0.004 0.000 1.425 451 H CB 0.354 30.129 29.762 0.021 0.000 1.414 451 H HN 0.453 nan 8.280 nan 0.000 0.614 452 P HA -0.239 nan 4.420 nan 0.000 0.218 452 P C 1.068 178.390 177.300 0.037 0.000 1.154 452 P CA 1.861 64.995 63.100 0.057 0.000 0.872 452 P CB 0.029 31.754 31.700 0.042 0.000 0.790 453 D N -1.880 118.547 120.400 0.045 0.000 2.371 453 D HA -0.008 4.647 4.640 0.025 0.000 0.221 453 D C 1.434 177.670 176.300 -0.106 0.000 0.986 453 D CA 1.168 55.148 54.000 -0.033 0.000 0.899 453 D CB -0.904 39.868 40.800 -0.046 0.000 0.902 453 D HN 0.314 nan 8.370 nan 0.000 0.530 454 G N -0.346 108.410 108.800 -0.074 0.000 2.179 454 G HA2 -0.242 3.733 3.960 0.025 0.000 0.220 454 G HA3 -0.242 3.733 3.960 0.025 0.000 0.220 454 G C 0.391 175.181 174.900 -0.183 0.000 0.990 454 G CA 0.331 45.366 45.100 -0.109 0.000 0.646 454 G HN 0.810 nan 8.290 nan 0.000 0.517 455 S N -0.075 115.467 115.700 -0.263 0.000 2.655 455 S HA 0.830 5.315 4.470 0.025 0.000 0.265 455 S C 0.349 174.668 174.600 -0.468 0.000 1.240 455 S CA 0.434 58.393 58.200 -0.401 0.000 0.986 455 S CB 2.082 64.999 63.200 -0.470 0.000 0.985 455 S HN 1.891 nan 8.310 nan 0.000 0.562 456 A N 0.342 122.728 122.820 -0.723 0.000 2.317 456 A HA 0.723 5.058 4.320 0.025 0.000 0.327 456 A C -0.611 176.475 177.584 -0.829 0.000 1.178 456 A CA -0.837 50.655 52.037 -0.909 0.000 0.817 456 A CB 1.083 19.187 19.000 -1.493 0.000 1.189 456 A HN 1.266 nan 8.150 nan 0.000 0.489 457 V N 3.760 123.418 119.914 -0.428 0.000 2.540 457 V HA 0.682 4.817 4.120 0.025 0.000 0.302 457 V C -1.145 174.912 176.094 -0.061 0.000 1.035 457 V CA -0.363 61.835 62.300 -0.170 0.000 0.873 457 V CB 1.755 33.633 31.823 0.092 0.000 0.992 457 V HN 0.742 nan 8.190 nan 0.000 0.428 458 V N 6.919 126.880 119.914 0.079 0.000 2.540 458 V HA 0.570 4.705 4.120 0.025 0.000 0.302 458 V C -0.375 175.828 176.094 0.183 0.000 1.035 458 V CA -0.544 61.866 62.300 0.184 0.000 0.873 458 V CB 2.054 34.059 31.823 0.304 0.000 0.992 458 V HN 0.717 nan 8.190 nan 0.000 0.428 459 V N 5.102 125.082 119.914 0.109 0.000 2.547 459 V HA 0.657 4.792 4.120 0.025 0.000 0.299 459 V C -0.395 175.759 176.094 0.101 0.000 1.040 459 V CA -0.623 61.684 62.300 0.011 0.000 0.913 459 V CB 1.951 33.611 31.823 -0.272 0.000 0.992 459 V HN 0.589 nan 8.190 nan 0.000 0.449 460 V N 5.291 125.262 119.914 0.096 0.000 2.569 460 V HA 0.440 4.575 4.120 0.025 0.000 0.301 460 V C -0.757 175.371 176.094 0.057 0.000 1.044 460 V CA -0.479 61.889 62.300 0.114 0.000 0.874 460 V CB 1.737 33.660 31.823 0.167 0.000 1.002 460 V HN 0.692 nan 8.190 nan 0.000 0.424 461 L N 4.562 125.845 121.223 0.101 0.000 2.295 461 L HA 0.681 5.036 4.340 0.025 0.000 0.285 461 L C -0.326 176.615 176.870 0.118 0.000 1.035 461 L CA 0.183 55.100 54.840 0.129 0.000 0.806 461 L CB 1.504 43.696 42.059 0.221 0.000 1.214 461 L HN 0.637 nan 8.230 nan 0.000 0.426 462 N N 3.917 122.686 118.700 0.115 0.000 2.476 462 N HA 0.381 5.136 4.740 0.025 0.000 0.257 462 N C 0.108 175.712 175.510 0.156 0.000 0.970 462 N CA -0.249 52.849 53.050 0.080 0.000 0.938 462 N CB 1.198 39.679 38.487 -0.010 0.000 1.144 462 N HN 0.681 nan 8.380 nan 0.000 0.500 463 R N 0.478 121.060 120.500 0.136 0.000 2.334 463 R HA 0.123 4.478 4.340 0.025 0.000 0.212 463 R C 0.546 176.898 176.300 0.086 0.000 0.897 463 R CA -0.081 56.155 56.100 0.227 0.000 1.056 463 R CB 0.279 30.689 30.300 0.184 0.000 1.046 463 R HN 0.572 nan 8.270 nan 0.000 0.513 464 S N -0.141 115.496 115.700 -0.104 0.000 2.652 464 S HA 0.081 4.566 4.470 0.025 0.000 0.270 464 S C 1.158 175.415 174.600 -0.572 0.000 1.243 464 S CA -0.461 57.620 58.200 -0.199 0.000 0.999 464 S CB 1.802 64.944 63.200 -0.098 0.000 0.973 464 S HN 0.151 nan 8.310 nan 0.000 0.544 465 S N 0.209 115.615 115.700 -0.490 0.000 2.562 465 S HA 0.178 4.663 4.470 0.025 0.000 0.221 465 S C 0.335 174.767 174.600 -0.279 0.000 0.975 465 S CA -0.165 57.686 58.200 -0.581 0.000 0.918 465 S CB -0.475 62.634 63.200 -0.152 0.000 0.772 465 S HN 0.696 nan 8.310 nan 0.000 0.531 466 K N 2.324 122.608 120.400 -0.194 0.000 2.258 466 K HA 0.239 4.574 4.320 0.025 0.000 0.284 466 K C -1.133 175.410 176.600 -0.096 0.000 1.051 466 K CA -0.558 55.666 56.287 -0.106 0.000 0.923 466 K CB 0.505 32.965 32.500 -0.066 0.000 1.046 466 K HN 0.163 nan 8.250 nan 0.000 0.474 467 D N 1.937 122.299 120.400 -0.064 0.000 2.493 467 D HA 0.007 4.662 4.640 0.025 0.000 0.240 467 D C -0.612 175.670 176.300 -0.030 0.000 1.142 467 D CA 0.281 54.256 54.000 -0.042 0.000 0.872 467 D CB 0.733 41.521 40.800 -0.019 0.000 1.173 467 D HN -0.005 nan 8.370 nan 0.000 0.467 468 V N 5.233 125.131 119.914 -0.026 0.000 2.409 468 V HA 0.286 4.421 4.120 0.025 0.000 0.290 468 V C -2.292 173.799 176.094 -0.006 0.000 1.017 468 V CA -1.723 60.568 62.300 -0.016 0.000 0.841 468 V CB 1.930 33.742 31.823 -0.018 0.000 1.003 468 V HN 0.392 nan 8.190 nan 0.000 0.426 469 P HA 0.435 nan 4.420 nan 0.000 0.276 469 P C -0.861 176.432 177.300 -0.011 0.000 1.243 469 P CA -0.117 62.985 63.100 0.003 0.000 0.768 469 P CB 0.740 32.446 31.700 0.010 0.000 0.856 470 L N 0.420 121.622 121.223 -0.034 0.000 2.327 470 L HA 0.881 5.236 4.340 0.025 0.000 0.258 470 L C -0.832 175.950 176.870 -0.148 0.000 1.024 470 L CA -0.572 54.224 54.840 -0.073 0.000 0.825 470 L CB 2.092 44.108 42.059 -0.071 0.000 1.386 470 L HN 0.030 nan 8.230 nan 0.000 0.417 471 T N 1.846 116.281 114.554 -0.198 0.000 2.824 471 T HA 0.663 5.028 4.350 0.025 0.000 0.282 471 T C -0.340 174.207 174.700 -0.256 0.000 0.993 471 T CA -0.140 61.788 62.100 -0.287 0.000 0.967 471 T CB 1.235 69.790 68.868 -0.522 0.000 0.960 471 T HN 0.466 nan 8.240 nan 0.000 0.441 472 I N 2.895 123.258 120.570 -0.346 0.000 2.359 472 I HA 0.447 4.632 4.170 0.025 0.000 0.294 472 I C 0.238 176.130 176.117 -0.374 0.000 0.987 472 I CA -0.683 60.413 61.300 -0.339 0.000 1.225 472 I CB 1.346 39.078 38.000 -0.446 0.000 1.366 472 I HN 0.337 nan 8.210 nan 0.000 0.466 473 K N 5.126 125.339 120.400 -0.311 0.000 2.358 473 K HA 0.306 4.641 4.320 0.025 0.000 0.260 473 K C -1.424 174.968 176.600 -0.345 0.000 0.956 473 K CA -0.565 55.422 56.287 -0.500 0.000 0.834 473 K CB 1.253 33.489 32.500 -0.441 0.000 1.102 473 K HN 0.493 nan 8.250 nan 0.000 0.431 474 D N 5.506 125.681 120.400 -0.375 0.000 2.344 474 D HA 0.282 4.937 4.640 0.025 0.000 0.239 474 D C -1.988 174.200 176.300 -0.186 0.000 1.064 474 D CA -2.490 51.439 54.000 -0.118 0.000 0.829 474 D CB 2.129 42.995 40.800 0.110 0.000 1.129 474 D HN 0.289 nan 8.370 nan 0.000 0.506 475 P HA -0.004 nan 4.420 nan 0.000 0.222 475 P C 0.773 178.044 177.300 -0.049 0.000 1.147 475 P CA 0.752 63.792 63.100 -0.099 0.000 0.790 475 P CB 0.294 31.966 31.700 -0.047 0.000 0.780 476 A N -0.946 121.871 122.820 -0.005 0.000 2.168 476 A HA 0.024 4.358 4.320 0.025 0.000 0.215 476 A C 1.781 179.377 177.584 0.021 0.000 1.152 476 A CA 1.795 53.846 52.037 0.023 0.000 0.716 476 A CB -0.786 18.249 19.000 0.057 0.000 0.794 476 A HN 0.224 nan 8.150 nan 0.000 0.465 477 V N -6.641 113.263 119.914 -0.018 0.000 3.110 477 V HA 0.624 4.759 4.120 0.025 0.000 0.233 477 V C 0.866 176.909 176.094 -0.085 0.000 1.550 477 V CA 0.679 62.967 62.300 -0.020 0.000 1.186 477 V CB -0.381 31.467 31.823 0.042 0.000 1.052 477 V HN 1.527 nan 8.190 nan 0.000 0.452 478 G N 0.582 109.249 108.800 -0.222 0.000 2.278 478 G HA2 0.243 4.218 3.960 0.025 0.000 0.265 478 G HA3 0.243 4.218 3.960 0.025 0.000 0.265 478 G C -1.616 172.955 174.900 -0.549 0.000 1.329 478 G CA -0.307 44.644 45.100 -0.249 0.000 1.017 478 G HN 0.410 nan 8.290 nan 0.000 0.472 479 F N 0.884 120.732 119.950 -0.170 0.000 2.469 479 F HA 0.689 5.229 4.527 0.023 0.000 0.332 479 F C 0.667 176.282 175.800 -0.308 0.000 1.103 479 F CA -0.891 56.960 58.000 -0.249 0.000 0.979 479 F CB 1.859 40.752 39.000 -0.179 0.000 1.137 479 F HN 0.270 nan 8.300 nan 0.000 0.463 480 L N 2.737 123.746 121.223 -0.357 0.000 2.257 480 L HA 0.431 4.786 4.340 0.025 0.000 0.290 480 L C -0.433 176.210 176.870 -0.377 0.000 1.044 480 L CA -0.544 53.989 54.840 -0.513 0.000 0.810 480 L CB 1.016 42.443 42.059 -1.053 0.000 1.193 480 L HN 0.562 nan 8.230 nan 0.000 0.425 481 E N 2.014 122.104 120.200 -0.182 0.000 2.146 481 E HA 0.510 4.875 4.350 0.025 0.000 0.282 481 E C -0.249 176.305 176.600 -0.076 0.000 0.989 481 E CA 0.146 56.482 56.400 -0.107 0.000 0.799 481 E CB 1.707 31.405 29.700 -0.003 0.000 1.088 481 E HN 0.590 nan 8.360 nan 0.000 0.397 482 T N 2.210 116.711 114.554 -0.089 0.000 2.645 482 T HA 0.683 5.048 4.350 0.025 0.000 0.300 482 T C -1.649 173.079 174.700 0.047 0.000 1.210 482 T CA -0.522 61.585 62.100 0.011 0.000 1.034 482 T CB 0.497 69.356 68.868 -0.015 0.000 1.537 482 T HN 0.262 nan 8.240 nan 0.000 0.492 483 I N 1.362 122.009 120.570 0.129 0.000 2.619 483 I HA 0.487 4.671 4.170 0.025 0.000 0.292 483 I C -0.442 175.749 176.117 0.124 0.000 1.100 483 I CA -0.457 60.901 61.300 0.097 0.000 1.043 483 I CB 2.341 40.392 38.000 0.085 0.000 1.239 483 I HN 0.472 nan 8.210 nan 0.000 0.420 484 S N 6.848 122.556 115.700 0.013 0.000 2.466 484 S HA 0.532 5.017 4.470 0.025 0.000 0.313 484 S C -2.470 172.072 174.600 -0.096 0.000 1.078 484 S CA -1.511 56.615 58.200 -0.122 0.000 1.115 484 S CB 0.158 63.308 63.200 -0.085 0.000 1.006 484 S HN 0.195 nan 8.310 nan 0.000 0.487 485 P HA 0.175 nan 4.420 nan 0.000 0.270 485 P C 0.338 177.593 177.300 -0.074 0.000 1.223 485 P CA -0.104 62.968 63.100 -0.045 0.000 0.785 485 P CB 0.315 32.018 31.700 0.006 0.000 0.923 486 G N 0.580 109.319 108.800 -0.101 0.000 2.491 486 G HA2 0.149 4.124 3.960 0.025 0.000 0.242 486 G HA3 0.149 4.124 3.960 0.025 0.000 0.242 486 G C -0.827 173.998 174.900 -0.126 0.000 1.266 486 G CA -0.356 44.603 45.100 -0.234 0.000 0.844 486 G HN 0.566 nan 8.290 nan 0.000 0.571 487 Y N -0.271 120.101 120.300 0.121 0.000 2.983 487 Y HA -0.222 4.344 4.550 0.027 0.000 0.185 487 Y C 1.078 177.076 175.900 0.164 0.000 1.476 487 Y CA 0.528 58.772 58.100 0.239 0.000 0.866 487 Y CB -1.829 36.629 38.460 -0.004 0.000 1.331 487 Y HN 0.882 nan 8.280 nan 0.000 0.403 488 S N 0.125 116.045 115.700 0.367 0.000 2.556 488 S HA 0.859 5.344 4.470 0.025 0.000 0.271 488 S C -0.892 173.861 174.600 0.255 0.000 1.135 488 S CA -1.009 57.367 58.200 0.292 0.000 0.858 488 S CB 3.007 66.223 63.200 0.027 0.000 1.114 488 S HN 0.463 nan 8.310 nan 0.000 0.468 489 I N 1.287 121.952 120.570 0.159 0.000 2.545 489 I HA 0.585 4.770 4.170 0.025 0.000 0.292 489 I C -1.274 174.714 176.117 -0.214 0.000 1.040 489 I CA -0.602 60.599 61.300 -0.166 0.000 1.068 489 I CB 1.655 39.380 38.000 -0.458 0.000 1.251 489 I HN 0.905 nan 8.210 nan 0.000 0.424 490 H N 4.070 122.941 119.070 -0.332 0.000 2.717 490 H HA 0.460 5.024 4.556 0.013 0.000 0.366 490 H C -1.127 174.049 175.328 -0.254 0.000 1.132 490 H CA -0.978 54.911 56.048 -0.265 0.000 1.180 490 H CB 2.328 31.946 29.762 -0.239 0.000 1.678 490 H HN 0.435 nan 8.280 nan 0.000 0.537 491 T N 2.621 117.118 114.554 -0.096 0.000 2.829 491 T HA 0.307 4.672 4.350 0.025 0.000 0.280 491 T C -1.074 173.416 174.700 -0.350 0.000 0.999 491 T CA -0.635 61.373 62.100 -0.153 0.000 0.983 491 T CB 0.815 69.558 68.868 -0.208 0.000 0.968 491 T HN 0.318 nan 8.240 nan 0.000 0.446 492 Y N 1.970 122.307 120.300 0.062 0.000 2.364 492 Y HA 0.659 5.218 4.550 0.014 0.000 0.340 492 Y C -0.511 175.489 175.900 0.166 0.000 0.975 492 Y CA -1.125 57.085 58.100 0.183 0.000 1.089 492 Y CB 1.333 39.942 38.460 0.249 0.000 1.192 492 Y HN 0.382 nan 8.280 nan 0.000 0.454 493 L N 3.564 125.008 121.223 0.368 0.000 2.386 493 L HA 0.609 4.964 4.340 0.025 0.000 0.271 493 L C -1.308 175.832 176.870 0.450 0.000 0.993 493 L CA -0.569 54.372 54.840 0.169 0.000 0.819 493 L CB 1.422 43.508 42.059 0.045 0.000 1.294 493 L HN 0.728 nan 8.230 nan 0.000 0.414 494 W N 0.413 121.806 121.300 0.155 0.000 3.296 494 W HA 0.616 5.293 4.660 0.028 0.000 0.314 494 W C -0.994 175.667 176.519 0.237 0.000 1.238 494 W CA -0.814 56.650 57.345 0.198 0.000 1.193 494 W CB 0.365 29.937 29.460 0.187 0.000 1.383 494 W HN 0.306 nan 8.180 nan 0.000 0.545 495 H N 1.782 120.967 119.070 0.192 0.000 2.690 495 H HA 0.401 4.972 4.556 0.025 0.000 0.365 495 H C 0.965 176.403 175.328 0.184 0.000 1.142 495 H CA -0.169 55.927 56.048 0.080 0.000 1.417 495 H CB 1.430 31.226 29.762 0.056 0.000 1.446 495 H HN 0.535 nan 8.280 nan 0.000 0.599 496 R N 0.640 121.204 120.500 0.107 0.000 2.342 496 R HA 0.097 4.452 4.340 0.025 0.000 0.204 496 R C 0.026 176.373 176.300 0.080 0.000 0.882 496 R CA 0.132 56.314 56.100 0.136 0.000 1.041 496 R CB 0.748 31.073 30.300 0.041 0.000 1.188 496 R HN 0.724 nan 8.270 nan 0.000 0.598 497 Q N 0.000 119.816 119.800 0.026 0.000 2.315 497 Q HA 0.000 4.355 4.340 0.025 0.000 0.214 497 Q CA 0.000 55.817 55.803 0.023 0.000 1.022 497 Q CB 0.000 28.733 28.738 -0.009 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481