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 1eea_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EXXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN A 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.661 174.600 0.102 0.000 1.055 4 S CA 0.000 58.243 58.200 0.072 0.000 1.107 4 S CB 0.000 63.235 63.200 0.058 0.000 0.593 5 E N 0.444 120.712 120.200 0.114 0.000 4.340 5 E HA -0.267 4.085 4.350 0.003 0.000 0.194 5 E C 0.834 177.583 176.600 0.247 0.000 1.304 5 E CA 2.100 58.590 56.400 0.149 0.000 2.260 5 E CB -0.929 28.835 29.700 0.107 0.000 1.882 5 E HN 0.528 nan 8.360 nan 0.000 0.326 6 L N 0.187 121.538 121.223 0.215 0.000 2.513 6 L HA 0.191 4.532 4.340 0.003 0.000 0.222 6 L C 0.792 177.888 176.870 0.376 0.000 1.096 6 L CA 0.391 55.380 54.840 0.248 0.000 0.857 6 L CB 0.151 42.240 42.059 0.049 0.000 1.026 6 L HN 0.196 nan 8.230 nan 0.000 0.469 7 L N 1.102 122.488 121.223 0.271 0.000 2.262 7 L HA 0.458 4.800 4.340 0.003 0.000 0.288 7 L C -0.855 176.121 176.870 0.175 0.000 1.035 7 L CA -0.161 54.823 54.840 0.240 0.000 0.820 7 L CB 1.146 43.291 42.059 0.144 0.000 1.204 7 L HN -0.270 nan 8.230 nan 0.000 0.424 8 V N 5.599 125.610 119.914 0.162 0.000 2.495 8 V HA 0.454 4.576 4.120 0.003 0.000 0.298 8 V C 0.156 176.190 176.094 -0.100 0.000 1.031 8 V CA -0.918 61.337 62.300 -0.075 0.000 0.871 8 V CB 1.991 33.611 31.823 -0.337 0.000 0.988 8 V HN 0.694 nan 8.190 nan 0.000 0.432 9 N N 2.866 121.426 118.700 -0.233 0.000 2.422 9 N HA 0.455 5.197 4.740 0.003 0.000 0.266 9 N C -0.242 174.938 175.510 -0.550 0.000 1.007 9 N CA -0.033 52.838 53.050 -0.299 0.000 0.941 9 N CB 1.907 40.206 38.487 -0.314 0.000 1.115 9 N HN 0.918 nan 8.380 nan 0.000 0.492 10 T N -0.828 113.469 114.554 -0.428 0.000 2.942 10 T HA 0.374 4.726 4.350 0.003 0.000 0.289 10 T C 1.015 175.443 174.700 -0.455 0.000 1.044 10 T CA -0.744 61.094 62.100 -0.436 0.000 1.023 10 T CB 1.608 70.424 68.868 -0.085 0.000 1.123 10 T HN 0.318 nan 8.240 nan 0.000 0.512 11 K N 0.755 120.918 120.400 -0.396 0.000 2.519 11 K HA -0.020 4.302 4.320 0.003 0.000 0.196 11 K C 1.878 178.276 176.600 -0.337 0.000 1.041 11 K CA 0.799 56.893 56.287 -0.322 0.000 0.954 11 K CB -0.143 32.235 32.500 -0.203 0.000 0.774 11 K HN 0.444 nan 8.250 nan 0.000 0.480 12 S N -0.180 115.269 115.700 -0.419 0.000 2.441 12 S HA 0.141 4.613 4.470 0.003 0.000 0.224 12 S C 0.822 174.690 174.600 -1.219 0.000 1.043 12 S CA 0.490 58.302 58.200 -0.647 0.000 0.948 12 S CB 0.635 63.520 63.200 -0.525 0.000 0.810 12 S HN 0.583 nan 8.310 nan 0.000 0.504 13 G N 0.627 108.849 108.800 -0.963 0.000 2.343 13 G HA2 0.254 4.215 3.960 0.003 0.000 0.289 13 G HA3 0.254 4.215 3.960 0.003 0.000 0.289 13 G C -1.997 172.798 174.900 -0.175 0.000 1.295 13 G CA -1.128 43.492 45.100 -0.800 0.000 0.869 13 G HN 0.079 nan 8.290 nan 0.000 0.522 14 K N -0.623 119.841 120.400 0.107 0.000 2.249 14 K HA 0.606 4.928 4.320 0.003 0.000 0.280 14 K C -0.543 176.404 176.600 0.578 0.000 1.033 14 K CA -0.376 56.068 56.287 0.261 0.000 0.946 14 K CB 1.874 34.487 32.500 0.189 0.000 1.005 14 K HN 0.314 nan 8.250 nan 0.000 0.469 15 V N 4.027 124.227 119.914 0.477 0.000 2.588 15 V HA 0.337 4.459 4.120 0.003 0.000 0.304 15 V C -1.089 175.325 176.094 0.534 0.000 1.042 15 V CA -0.873 61.788 62.300 0.602 0.000 0.877 15 V CB 1.771 33.999 31.823 0.675 0.000 0.996 15 V HN 0.745 nan 8.190 nan 0.000 0.425 16 M N 5.490 125.368 119.600 0.464 0.000 2.114 16 M HA 0.778 5.260 4.480 0.003 0.000 0.332 16 M C 0.219 176.655 176.300 0.226 0.000 1.014 16 M CA 0.167 55.665 55.300 0.330 0.000 0.956 16 M CB 1.079 33.793 32.600 0.191 0.000 1.551 16 M HN 0.635 nan 8.290 nan 0.000 0.427 17 G N 1.910 110.718 108.800 0.013 0.000 2.494 17 G HA2 0.570 4.532 3.960 0.003 0.000 0.270 17 G HA3 0.570 4.532 3.960 0.003 0.000 0.270 17 G C -0.970 173.694 174.900 -0.393 0.000 1.423 17 G CA -0.362 44.335 45.100 -0.672 0.000 1.055 17 G HN 0.710 nan 8.290 nan 0.000 0.536 18 T N -1.402 112.880 114.554 -0.454 0.000 2.900 18 T HA 0.519 4.871 4.350 0.003 0.000 0.303 18 T C -0.863 173.704 174.700 -0.222 0.000 1.142 18 T CA -0.669 61.280 62.100 -0.252 0.000 1.007 18 T CB 1.517 70.263 68.868 -0.203 0.000 1.156 18 T HN 0.516 nan 8.240 nan 0.000 0.490 19 R N 3.014 123.439 120.500 -0.124 0.000 2.215 19 R HA 0.610 4.952 4.340 0.003 0.000 0.337 19 R C -0.305 175.967 176.300 -0.046 0.000 1.010 19 R CA -0.564 55.493 56.100 -0.070 0.000 0.871 19 R CB 0.217 30.494 30.300 -0.039 0.000 1.134 19 R HN 0.497 nan 8.270 nan 0.000 0.477 20 V N 2.613 122.513 119.914 -0.024 0.000 2.617 20 V HA 0.686 4.808 4.120 0.003 0.000 0.298 20 V C -2.448 173.628 176.094 -0.030 0.000 1.048 20 V CA -2.457 59.836 62.300 -0.012 0.000 0.964 20 V CB 1.240 33.087 31.823 0.041 0.000 1.004 20 V HN 0.651 nan 8.190 nan 0.000 0.466 21 P HA 0.473 nan 4.420 nan 0.000 0.278 21 P C -0.896 176.293 177.300 -0.185 0.000 1.238 21 P CA -0.263 62.782 63.100 -0.092 0.000 0.794 21 P CB 1.593 33.251 31.700 -0.071 0.000 0.955 22 V N 5.123 124.872 119.914 -0.275 0.000 2.697 22 V HA 0.197 4.318 4.120 0.003 0.000 0.300 22 V C 0.233 175.974 176.094 -0.588 0.000 1.115 22 V CA -0.685 61.314 62.300 -0.502 0.000 0.912 22 V CB 1.117 32.582 31.823 -0.597 0.000 1.024 22 V HN 0.358 nan 8.190 nan 0.000 0.431 23 L N 4.615 125.597 121.223 -0.401 0.000 5.334 23 L HA -0.346 3.996 4.340 0.003 0.000 0.053 23 L C 2.277 179.010 176.870 -0.229 0.000 2.649 23 L CA 2.499 57.183 54.840 -0.259 0.000 1.695 23 L CB -2.302 39.609 42.059 -0.247 0.000 2.744 23 L HN 0.903 nan 8.230 nan 0.000 0.899 24 S N -0.607 114.976 115.700 -0.195 0.000 2.361 24 S HA -0.081 4.391 4.470 0.003 0.000 0.214 24 S C 1.288 175.869 174.600 -0.032 0.000 1.034 24 S CA 1.354 59.533 58.200 -0.034 0.000 1.025 24 S CB -0.467 62.807 63.200 0.122 0.000 0.996 24 S HN 0.564 nan 8.310 nan 0.000 0.422 25 S N 0.742 116.464 115.700 0.037 0.000 2.375 25 S HA 0.481 4.953 4.470 0.003 0.000 0.231 25 S C 0.555 175.152 174.600 -0.005 0.000 1.319 25 S CA 0.279 58.559 58.200 0.133 0.000 0.983 25 S CB -0.380 63.091 63.200 0.452 0.000 0.889 25 S HN 0.950 nan 8.310 nan 0.000 0.489 26 H N -1.372 117.743 119.070 0.075 0.000 2.980 26 H HA 0.888 5.446 4.556 0.003 0.000 0.367 26 H C -0.967 174.432 175.328 0.118 0.000 1.206 26 H CA -0.666 55.408 56.048 0.042 0.000 1.126 26 H CB 0.837 30.618 29.762 0.032 0.000 1.838 26 H HN 0.550 nan 8.280 nan 0.000 0.552 27 I N -0.153 120.470 120.570 0.089 0.000 3.279 27 I HA 0.447 4.619 4.170 0.003 0.000 0.315 27 I C -0.327 175.846 176.117 0.093 0.000 1.225 27 I CA -0.829 60.553 61.300 0.138 0.000 0.947 27 I CB 2.480 40.595 38.000 0.191 0.000 1.293 27 I HN 0.625 nan 8.210 nan 0.000 0.468 28 S N 1.266 117.040 115.700 0.124 0.000 2.565 28 S HA 0.835 5.307 4.470 0.003 0.000 0.290 28 S C -0.774 173.809 174.600 -0.028 0.000 1.150 28 S CA -0.455 57.753 58.200 0.013 0.000 1.058 28 S CB 1.633 64.894 63.200 0.102 0.000 1.032 28 S HN 0.586 nan 8.310 nan 0.000 0.510 29 A N 2.751 125.373 122.820 -0.330 0.000 2.408 29 A HA 0.748 5.070 4.320 0.003 0.000 0.295 29 A C -1.561 175.639 177.584 -0.640 0.000 1.040 29 A CA -0.548 51.212 52.037 -0.461 0.000 0.707 29 A CB 0.551 19.330 19.000 -0.368 0.000 1.235 29 A HN 0.649 nan 8.150 nan 0.000 0.418 30 F N 2.835 122.595 119.950 -0.316 0.000 2.375 30 F HA 0.534 5.063 4.527 0.003 0.000 0.361 30 F C -0.356 175.289 175.800 -0.259 0.000 1.117 30 F CA -0.726 57.184 58.000 -0.150 0.000 1.037 30 F CB 1.621 40.617 39.000 -0.007 0.000 1.192 30 F HN 0.271 nan 8.300 nan 0.000 0.452 31 L N 2.486 123.646 121.223 -0.105 0.000 2.307 31 L HA 0.611 4.952 4.340 0.003 0.000 0.284 31 L C 0.678 177.577 176.870 0.048 0.000 1.023 31 L CA -0.900 53.854 54.840 -0.142 0.000 0.810 31 L CB 1.049 42.909 42.059 -0.332 0.000 1.231 31 L HN 0.779 nan 8.230 nan 0.000 0.423 32 G N 4.385 113.240 108.800 0.092 0.000 2.359 32 G HA2 -0.261 3.700 3.960 0.003 0.000 0.298 32 G HA3 -0.261 3.700 3.960 0.003 0.000 0.298 32 G C 0.083 175.183 174.900 0.334 0.000 1.030 32 G CA -0.125 45.095 45.100 0.199 0.000 1.149 32 G HN 0.490 nan 8.290 nan 0.000 0.512 33 I N 2.413 123.050 120.570 0.111 0.000 2.396 33 I HA 0.201 4.373 4.170 0.003 0.000 0.289 33 I C -1.229 174.639 176.117 -0.415 0.000 1.056 33 I CA -2.195 58.948 61.300 -0.262 0.000 1.365 33 I CB 1.040 38.871 38.000 -0.283 0.000 1.407 33 I HN 0.082 nan 8.210 nan 0.000 0.509 34 P HA -0.049 nan 4.420 nan 0.000 0.268 34 P C -0.261 176.703 177.300 -0.560 0.000 1.208 34 P CA 0.326 62.882 63.100 -0.907 0.000 0.777 34 P CB 0.427 31.565 31.700 -0.936 0.000 0.875 35 F N -0.806 118.826 119.950 -0.530 0.000 2.975 35 F HA 0.713 5.242 4.527 0.003 0.000 0.366 35 F C -0.251 175.472 175.800 -0.129 0.000 1.071 35 F CA -0.704 57.066 58.000 -0.383 0.000 1.102 35 F CB -0.070 38.643 39.000 -0.478 0.000 1.176 35 F HN 0.422 nan 8.300 nan 0.000 0.545 36 A N 0.219 122.806 122.820 -0.388 0.000 2.593 36 A HA 0.638 4.960 4.320 0.003 0.000 0.290 36 A C -1.076 176.343 177.584 -0.276 0.000 1.126 36 A CA -0.716 51.170 52.037 -0.252 0.000 0.695 36 A CB 1.282 20.065 19.000 -0.361 0.000 1.290 36 A HN 0.137 nan 8.150 nan 0.000 0.414 37 E N 0.646 120.757 120.200 -0.148 0.000 2.313 37 E HA 0.362 4.714 4.350 0.003 0.000 0.272 37 E C -2.387 174.125 176.600 -0.146 0.000 1.038 37 E CA -1.586 54.744 56.400 -0.117 0.000 0.863 37 E CB 0.689 30.367 29.700 -0.038 0.000 1.060 37 E HN 0.259 nan 8.360 nan 0.000 0.402 38 P HA -0.031 nan 4.420 nan 0.000 0.258 38 P C -2.175 175.072 177.300 -0.087 0.000 1.172 38 P CA -0.547 62.493 63.100 -0.100 0.000 0.762 38 P CB 0.011 31.687 31.700 -0.040 0.000 0.764 39 P HA -0.013 nan 4.420 nan 0.000 0.243 39 P C 0.240 177.478 177.300 -0.104 0.000 1.668 39 P CA 0.071 63.117 63.100 -0.090 0.000 0.898 39 P CB -0.177 31.471 31.700 -0.086 0.000 1.637 40 V N -3.138 116.723 119.914 -0.087 0.000 3.665 40 V HA 0.737 4.859 4.120 0.003 0.000 0.279 40 V C 1.352 177.403 176.094 -0.072 0.000 1.000 40 V CA 0.316 62.563 62.300 -0.090 0.000 0.935 40 V CB -0.494 31.289 31.823 -0.066 0.000 1.240 40 V HN 0.438 nan 8.190 nan 0.000 0.418 41 G N -0.140 108.626 108.800 -0.057 0.000 2.629 41 G HA2 -0.446 3.516 3.960 0.003 0.000 0.335 41 G HA3 -0.446 3.516 3.960 0.003 0.000 0.335 41 G C 1.013 175.894 174.900 -0.032 0.000 1.347 41 G CA 2.034 47.115 45.100 -0.032 0.000 0.979 41 G HN 2.096 nan 8.290 nan 0.000 0.534 42 N N -0.465 118.234 118.700 -0.003 0.000 2.585 42 N HA 0.092 4.834 4.740 0.003 0.000 0.188 42 N C 2.206 177.717 175.510 0.002 0.000 1.102 42 N CA 2.146 55.207 53.050 0.018 0.000 0.920 42 N CB -0.385 38.121 38.487 0.032 0.000 0.963 42 N HN 0.619 nan 8.380 nan 0.000 0.447 43 M N -0.118 119.466 119.600 -0.027 0.000 2.563 43 M HA 0.083 4.565 4.480 0.003 0.000 0.231 43 M C 0.914 177.163 176.300 -0.085 0.000 1.136 43 M CA -0.032 55.247 55.300 -0.035 0.000 1.026 43 M CB -0.076 32.502 32.600 -0.035 0.000 1.597 43 M HN 0.306 nan 8.290 nan 0.000 0.495 44 R N 0.449 120.843 120.500 -0.177 0.000 2.537 44 R HA 0.043 4.385 4.340 0.003 0.000 0.280 44 R C -0.113 175.940 176.300 -0.412 0.000 1.058 44 R CA 0.507 56.344 56.100 -0.437 0.000 1.057 44 R CB 0.323 30.163 30.300 -0.767 0.000 0.973 44 R HN 0.220 nan 8.270 nan 0.000 0.438 45 F N -0.963 119.025 119.950 0.063 0.000 2.571 45 F HA -0.296 4.233 4.527 0.004 0.000 0.515 45 F C 0.532 176.330 175.800 -0.003 0.000 0.532 45 F CA 0.773 58.779 58.000 0.011 0.000 1.158 45 F CB -1.261 37.728 39.000 -0.018 0.000 1.848 45 F HN 0.586 nan 8.300 nan 0.000 0.266 46 R N 1.390 121.958 120.500 0.114 0.000 2.490 46 R HA 0.420 4.762 4.340 0.003 0.000 0.280 46 R C 0.746 177.071 176.300 0.041 0.000 1.077 46 R CA -0.250 55.893 56.100 0.071 0.000 1.065 46 R CB 1.002 31.329 30.300 0.047 0.000 1.003 46 R HN 0.084 nan 8.270 nan 0.000 0.470 47 R N 3.133 123.656 120.500 0.039 0.000 2.697 47 R HA 0.042 4.384 4.340 0.003 0.000 0.265 47 R C -2.108 174.211 176.300 0.031 0.000 1.009 47 R CA -0.862 55.258 56.100 0.033 0.000 1.099 47 R CB -0.340 29.984 30.300 0.040 0.000 0.965 47 R HN 0.506 nan 8.270 nan 0.000 0.428 48 P HA 0.198 nan 4.420 nan 0.000 0.275 48 P C -0.847 176.479 177.300 0.044 0.000 1.228 48 P CA -0.186 62.935 63.100 0.035 0.000 0.786 48 P CB 0.779 32.517 31.700 0.063 0.000 0.927 49 E N 1.973 122.190 120.200 0.027 0.000 2.202 49 E HA 0.439 4.791 4.350 0.003 0.000 0.272 49 E C -2.310 174.319 176.600 0.048 0.000 0.951 49 E CA -1.922 54.498 56.400 0.035 0.000 0.813 49 E CB 0.823 30.537 29.700 0.022 0.000 1.151 49 E HN 0.501 nan 8.360 nan 0.000 0.398 50 P HA 0.235 nan 4.420 nan 0.000 0.275 50 P C -0.676 176.682 177.300 0.096 0.000 1.228 50 P CA -0.660 62.508 63.100 0.113 0.000 0.786 50 P CB 0.447 32.218 31.700 0.119 0.000 0.927 51 K N 3.457 123.931 120.400 0.122 0.000 2.412 51 K HA 0.048 4.370 4.320 0.003 0.000 0.284 51 K C 0.037 176.737 176.600 0.167 0.000 1.046 51 K CA 0.288 56.648 56.287 0.121 0.000 0.999 51 K CB -0.221 32.370 32.500 0.151 0.000 0.941 51 K HN 0.234 nan 8.250 nan 0.000 0.474 52 K N 5.986 126.472 120.400 0.143 0.000 2.489 52 K HA 0.026 4.348 4.320 0.003 0.000 0.278 52 K C -2.130 174.583 176.600 0.188 0.000 1.000 52 K CA -1.255 55.114 56.287 0.135 0.000 1.012 52 K CB -0.136 32.438 32.500 0.123 0.000 0.903 52 K HN 0.535 nan 8.250 nan 0.000 0.485 53 P HA -0.029 nan 4.420 nan 0.000 0.269 53 P C -1.020 176.313 177.300 0.054 0.000 1.209 53 P CA -0.034 63.009 63.100 -0.095 0.000 0.776 53 P CB 0.242 31.849 31.700 -0.155 0.000 0.876 54 W N 1.016 122.381 121.300 0.108 0.000 2.655 54 W HA 0.776 5.438 4.660 0.003 0.000 0.358 54 W C -0.363 176.227 176.519 0.118 0.000 1.100 54 W CA -0.951 56.480 57.345 0.143 0.000 1.195 54 W CB 0.297 29.907 29.460 0.251 0.000 1.403 54 W HN 0.226 nan 8.180 nan 0.000 0.589 55 S N 0.517 116.414 115.700 0.328 0.000 2.681 55 S HA 0.793 5.264 4.470 0.003 0.000 0.299 55 S C 0.226 175.020 174.600 0.323 0.000 1.113 55 S CA 0.400 58.724 58.200 0.206 0.000 1.013 55 S CB 0.462 63.745 63.200 0.139 0.000 1.076 55 S HN 1.882 nan 8.310 nan 0.000 0.534 56 G N 0.521 109.454 108.800 0.222 0.000 2.828 56 G HA2 -0.145 3.817 3.960 0.003 0.000 0.463 56 G HA3 -0.145 3.817 3.960 0.003 0.000 0.463 56 G C -0.966 174.131 174.900 0.328 0.000 1.394 56 G CA -0.354 44.876 45.100 0.216 0.000 0.862 56 G HN 1.185 nan 8.290 nan 0.000 0.540 57 V N 1.653 121.720 119.914 0.255 0.000 2.407 57 V HA 0.449 4.571 4.120 0.003 0.000 0.278 57 V C 0.532 176.783 176.094 0.261 0.000 1.037 57 V CA -0.474 62.004 62.300 0.296 0.000 0.900 57 V CB 1.657 33.586 31.823 0.175 0.000 0.983 57 V HN 0.701 nan 8.190 nan 0.000 0.459 58 W N 6.785 128.218 121.300 0.220 0.000 2.419 58 W HA 0.155 4.817 4.660 0.003 0.000 0.312 58 W C 0.346 176.882 176.519 0.028 0.000 1.323 58 W CA -0.369 56.938 57.345 -0.062 0.000 1.293 58 W CB 0.487 29.792 29.460 -0.260 0.000 1.324 58 W HN 0.700 nan 8.180 nan 0.000 0.512 59 N N 4.264 122.664 118.700 -0.500 0.000 2.442 59 N HA 0.280 5.022 4.740 0.003 0.000 0.265 59 N C -0.490 174.975 175.510 -0.075 0.000 1.138 59 N CA 0.122 53.047 53.050 -0.209 0.000 0.956 59 N CB 0.676 39.005 38.487 -0.263 0.000 1.067 59 N HN 0.448 nan 8.380 nan 0.000 0.474 60 A N 2.918 125.816 122.820 0.131 0.000 3.214 60 A HA 0.202 4.524 4.320 0.003 0.000 0.304 60 A C 0.471 178.049 177.584 -0.011 0.000 0.969 60 A CA -0.566 51.584 52.037 0.188 0.000 0.986 60 A CB -0.215 19.030 19.000 0.408 0.000 1.073 60 A HN 0.685 nan 8.150 nan 0.000 0.487 61 S N -1.105 114.549 115.700 -0.077 0.000 2.603 61 S HA 0.213 4.685 4.470 0.003 0.000 0.232 61 S C 0.528 175.034 174.600 -0.157 0.000 1.016 61 S CA 0.478 58.593 58.200 -0.142 0.000 0.976 61 S CB -0.168 62.963 63.200 -0.116 0.000 0.921 61 S HN 0.825 nan 8.310 nan 0.000 0.516 62 T N -0.328 114.147 114.554 -0.131 0.000 2.886 62 T HA 0.629 4.981 4.350 0.003 0.000 0.292 62 T C -0.805 173.850 174.700 -0.075 0.000 1.012 62 T CA -0.673 61.362 62.100 -0.108 0.000 0.982 62 T CB 0.705 69.532 68.868 -0.067 0.000 1.018 62 T HN 0.091 nan 8.240 nan 0.000 0.451 63 Y N 3.482 123.773 120.300 -0.016 0.000 2.805 63 Y HA 0.261 4.813 4.550 0.003 0.000 0.337 63 Y C -1.371 174.487 175.900 -0.071 0.000 1.252 63 Y CA -0.987 57.109 58.100 -0.006 0.000 1.515 63 Y CB 0.101 38.583 38.460 0.036 0.000 1.305 63 Y HN 0.526 nan 8.280 nan 0.000 0.600 64 P HA 0.072 nan 4.420 nan 0.000 0.274 64 P C -0.878 176.377 177.300 -0.074 0.000 1.256 64 P CA -0.422 62.573 63.100 -0.175 0.000 0.795 64 P CB 0.831 32.364 31.700 -0.279 0.000 1.038 65 N N 0.330 118.943 118.700 -0.145 0.000 2.371 65 N HA 0.064 4.806 4.740 0.003 0.000 0.243 65 N C 0.192 175.704 175.510 0.004 0.000 1.287 65 N CA -0.189 52.827 53.050 -0.057 0.000 0.911 65 N CB 0.141 38.596 38.487 -0.054 0.000 1.142 65 N HN 0.416 nan 8.380 nan 0.000 0.451 66 N N 0.157 118.856 118.700 -0.002 0.000 2.508 66 N HA 0.241 4.982 4.740 0.003 0.000 0.285 66 N C -0.516 175.001 175.510 0.011 0.000 1.144 66 N CA -0.405 52.653 53.050 0.012 0.000 0.978 66 N CB 0.720 39.191 38.487 -0.026 0.000 1.180 66 N HN 0.417 nan 8.380 nan 0.000 0.484 67 c N 0.877 119.495 118.600 0.031 0.000 2.700 67 c HA 0.085 4.656 4.570 0.003 0.000 0.397 67 c C 0.880 174.958 174.090 -0.019 0.000 1.301 67 c CA -0.617 55.717 56.329 0.008 0.000 2.219 67 c CB -0.039 42.507 42.510 0.059 0.000 2.699 67 c HN 0.478 nan 8.230 nan 0.000 0.669 68 Q N 2.199 121.945 119.800 -0.090 0.000 2.315 68 Q HA 0.237 4.579 4.340 0.003 0.000 0.289 68 Q C -0.072 175.999 176.000 0.118 0.000 1.044 68 Q CA 0.987 56.755 55.803 -0.058 0.000 0.920 68 Q CB 0.447 29.007 28.738 -0.296 0.000 1.214 68 Q HN 0.895 nan 8.270 nan 0.000 0.392 69 Q N 0.780 120.680 119.800 0.166 0.000 2.829 69 Q HA 0.208 4.549 4.340 0.003 0.000 0.296 69 Q C -1.377 174.794 176.000 0.285 0.000 0.893 69 Q CA -0.946 55.017 55.803 0.267 0.000 0.772 69 Q CB 0.375 29.225 28.738 0.187 0.000 1.489 69 Q HN 0.471 nan 8.270 nan 0.000 0.420 70 Y N 1.319 121.807 120.300 0.315 0.000 2.650 70 Y HA 0.281 4.833 4.550 0.004 0.000 0.331 70 Y C -0.768 175.290 175.900 0.263 0.000 1.165 70 Y CA 0.445 58.752 58.100 0.344 0.000 1.473 70 Y CB 0.681 39.472 38.460 0.551 0.000 1.224 70 Y HN 0.396 nan 8.280 nan 0.000 0.533 71 V N 7.196 126.900 119.914 -0.351 0.000 2.350 71 V HA 0.053 4.175 4.120 0.003 0.000 0.276 71 V C 0.057 175.996 176.094 -0.259 0.000 1.028 71 V CA -1.101 61.096 62.300 -0.171 0.000 0.860 71 V CB 1.331 33.090 31.823 -0.106 0.000 0.990 71 V HN 0.745 nan 8.190 nan 0.000 0.453 72 D N 4.248 124.700 120.400 0.087 0.000 2.367 72 D HA 0.023 4.665 4.640 0.003 0.000 0.255 72 D C 0.729 177.144 176.300 0.191 0.000 1.300 72 D CA 0.106 54.270 54.000 0.273 0.000 0.959 72 D CB 0.740 41.810 40.800 0.450 0.000 1.064 72 D HN 0.687 nan 8.370 nan 0.000 0.509 73 E N 2.196 122.452 120.200 0.094 0.000 2.489 73 E HA -0.063 4.288 4.350 0.003 0.000 0.193 73 E C 1.722 178.322 176.600 0.001 0.000 1.057 73 E CA -0.140 56.288 56.400 0.047 0.000 0.866 73 E CB 0.417 30.113 29.700 -0.006 0.000 0.916 73 E HN 0.506 nan 8.360 nan 0.000 0.500 74 Q N -0.373 119.402 119.800 -0.042 0.000 2.118 74 Q HA -0.178 4.164 4.340 0.003 0.000 0.211 74 Q C 0.167 175.754 176.000 -0.688 0.000 0.998 74 Q CA 1.382 56.910 55.803 -0.458 0.000 0.872 74 Q CB -0.000 28.306 28.738 -0.719 0.000 0.925 74 Q HN 0.276 nan 8.270 nan 0.000 0.414 75 F N 0.057 120.105 119.950 0.163 0.000 2.530 75 F HA 0.333 4.862 4.527 0.003 0.000 0.318 75 F C -2.109 173.781 175.800 0.149 0.000 1.356 75 F CA -2.711 55.364 58.000 0.125 0.000 1.135 75 F CB 0.657 39.773 39.000 0.194 0.000 1.315 75 F HN -0.139 nan 8.300 nan 0.000 0.549 76 P HA 0.050 nan 4.420 nan 0.000 0.257 76 P C 1.095 178.476 177.300 0.134 0.000 1.162 76 P CA 1.628 64.800 63.100 0.120 0.000 0.762 76 P CB 0.514 32.246 31.700 0.054 0.000 0.753 77 G N 3.175 112.048 108.800 0.121 0.000 2.320 77 G HA2 -0.311 3.650 3.960 0.003 0.000 0.242 77 G HA3 -0.311 3.650 3.960 0.003 0.000 0.242 77 G C 0.127 175.112 174.900 0.141 0.000 1.033 77 G CA -0.367 44.789 45.100 0.093 0.000 0.620 77 G HN 0.535 nan 8.290 nan 0.000 0.517 78 F N 3.823 123.769 119.950 -0.006 0.000 2.557 78 F HA 0.428 4.957 4.527 0.003 0.000 0.384 78 F C 1.822 177.549 175.800 -0.123 0.000 1.057 78 F CA -0.022 57.918 58.000 -0.101 0.000 1.169 78 F CB 0.802 39.748 39.000 -0.089 0.000 1.070 78 F HN 0.301 nan 8.300 nan 0.000 0.554 79 S N 3.639 119.061 115.700 -0.464 0.000 2.368 79 S HA -0.116 4.356 4.470 0.003 0.000 0.225 79 S C 2.372 176.534 174.600 -0.730 0.000 1.030 79 S CA 0.803 58.714 58.200 -0.482 0.000 0.999 79 S CB -1.337 61.617 63.200 -0.411 0.000 0.844 79 S HN 0.793 nan 8.310 nan 0.000 0.459 80 G N 1.779 109.694 108.800 -1.475 0.000 2.550 80 G HA2 -0.294 3.668 3.960 0.003 0.000 0.222 80 G HA3 -0.294 3.668 3.960 0.003 0.000 0.222 80 G C 1.686 176.560 174.900 -0.043 0.000 1.113 80 G CA 1.676 46.002 45.100 -1.290 0.000 0.748 80 G HN 0.840 nan 8.290 nan 0.000 0.585 81 S N -0.881 114.831 115.700 0.020 0.000 2.499 81 S HA 0.189 4.661 4.470 0.003 0.000 0.225 81 S C 1.865 176.698 174.600 0.388 0.000 1.050 81 S CA 0.869 59.483 58.200 0.690 0.000 0.928 81 S CB 0.180 63.967 63.200 0.979 0.000 0.803 81 S HN 0.387 nan 8.310 nan 0.000 0.506 82 E N 1.912 122.176 120.200 0.107 0.000 2.158 82 E HA 0.020 4.372 4.350 0.003 0.000 0.191 82 E C 2.154 178.688 176.600 -0.110 0.000 0.982 82 E CA 1.198 57.615 56.400 0.029 0.000 0.823 82 E CB -0.345 29.350 29.700 -0.009 0.000 0.766 82 E HN 0.809 nan 8.360 nan 0.000 0.468 83 M N -1.084 118.339 119.600 -0.296 0.000 2.331 83 M HA -0.167 4.314 4.480 0.003 0.000 0.260 83 M C 0.783 176.686 176.300 -0.662 0.000 1.072 83 M CA 1.590 56.547 55.300 -0.571 0.000 1.065 83 M CB -0.485 31.615 32.600 -0.834 0.000 1.392 83 M HN 0.081 nan 8.290 nan 0.000 0.427 84 W N 1.093 122.333 121.300 -0.100 0.000 3.220 84 W HA 0.341 5.003 4.660 0.004 0.000 0.328 84 W C 0.267 176.712 176.519 -0.122 0.000 1.205 84 W CA -0.935 56.318 57.345 -0.154 0.000 1.773 84 W CB -0.134 29.256 29.460 -0.116 0.000 1.086 84 W HN 0.097 nan 8.180 nan 0.000 0.622 85 N N 2.057 120.803 118.700 0.076 0.000 2.495 85 N HA 0.220 4.962 4.740 0.003 0.000 0.280 85 N C -2.483 173.009 175.510 -0.031 0.000 1.168 85 N CA -1.425 51.654 53.050 0.048 0.000 0.978 85 N CB 0.239 38.763 38.487 0.061 0.000 1.191 85 N HN -0.415 nan 8.380 nan 0.000 0.497 86 P HA -0.020 nan 4.420 nan 0.000 0.261 86 P C -0.064 177.196 177.300 -0.067 0.000 1.173 86 P CA 0.451 63.517 63.100 -0.057 0.000 0.760 86 P CB 0.113 31.792 31.700 -0.035 0.000 0.783 87 N N 1.406 120.049 118.700 -0.095 0.000 2.171 87 N HA 0.094 4.836 4.740 0.003 0.000 0.212 87 N C 0.216 175.680 175.510 -0.077 0.000 1.184 87 N CA -0.639 52.354 53.050 -0.095 0.000 0.888 87 N CB 0.439 38.848 38.487 -0.130 0.000 1.038 87 N HN 0.105 nan 8.380 nan 0.000 0.517 88 R N 0.785 121.244 120.500 -0.067 0.000 2.888 88 R HA 0.199 4.541 4.340 0.003 0.000 0.266 88 R C -0.748 175.530 176.300 -0.036 0.000 1.020 88 R CA -0.762 55.312 56.100 -0.043 0.000 0.963 88 R CB 0.953 31.234 30.300 -0.031 0.000 1.197 88 R HN 0.159 nan 8.270 nan 0.000 0.481 89 E N 1.893 122.075 120.200 -0.031 0.000 2.452 89 E HA 0.012 4.364 4.350 0.003 0.000 0.261 89 E C -0.086 176.495 176.600 -0.032 0.000 0.987 89 E CA 0.105 56.487 56.400 -0.031 0.000 0.926 89 E CB 0.231 29.912 29.700 -0.032 0.000 0.934 89 E HN 0.393 nan 8.360 nan 0.000 0.452 90 M N 3.448 123.029 119.600 -0.030 0.000 2.241 90 M HA 0.330 4.811 4.480 0.003 0.000 0.335 90 M C 0.287 176.558 176.300 -0.048 0.000 1.122 90 M CA 0.326 55.606 55.300 -0.033 0.000 1.164 90 M CB 1.424 34.009 32.600 -0.026 0.000 1.459 90 M HN 0.734 nan 8.290 nan 0.000 0.461 91 S N 0.600 116.262 115.700 -0.063 0.000 2.565 91 S HA 0.222 4.693 4.470 0.003 0.000 0.274 91 S C -0.082 174.445 174.600 -0.121 0.000 1.144 91 S CA -0.756 57.396 58.200 -0.080 0.000 0.849 91 S CB 1.322 64.493 63.200 -0.048 0.000 1.103 91 S HN 0.826 nan 8.310 nan 0.000 0.455 92 E N 0.834 120.933 120.200 -0.168 0.000 2.208 92 E HA -0.053 4.299 4.350 0.003 0.000 0.193 92 E C -0.165 176.365 176.600 -0.117 0.000 0.988 92 E CA 0.554 56.817 56.400 -0.228 0.000 0.828 92 E CB 0.099 29.625 29.700 -0.289 0.000 0.763 92 E HN 0.573 nan 8.360 nan 0.000 0.478 93 D N 0.525 120.893 120.400 -0.053 0.000 2.435 93 D HA -0.012 4.630 4.640 0.003 0.000 0.230 93 D C 0.069 176.443 176.300 0.123 0.000 1.215 93 D CA -0.226 53.790 54.000 0.026 0.000 0.947 93 D CB 0.202 41.035 40.800 0.055 0.000 1.048 93 D HN 0.153 nan 8.370 nan 0.000 0.512 94 c N 2.642 121.319 118.600 0.128 0.000 3.865 94 c HA 0.378 4.950 4.570 0.003 0.000 0.297 94 c C 0.583 174.816 174.090 0.240 0.000 1.758 94 c CA -0.663 55.803 56.329 0.228 0.000 1.778 94 c CB -1.232 41.339 42.510 0.100 0.000 3.158 94 c HN 0.457 nan 8.230 nan 0.000 0.598 95 L N 2.735 123.877 121.223 -0.134 0.000 2.404 95 L HA 0.419 4.761 4.340 0.003 0.000 0.277 95 L C -0.692 175.533 176.870 -1.075 0.000 1.184 95 L CA 0.396 54.896 54.840 -0.567 0.000 1.013 95 L CB -0.374 41.204 42.059 -0.802 0.000 1.318 95 L HN 0.370 nan 8.230 nan 0.000 0.435 96 Y N 2.750 122.969 120.300 -0.134 0.000 2.693 96 Y HA 0.716 5.267 4.550 0.003 0.000 0.331 96 Y C -0.109 175.969 175.900 0.296 0.000 1.092 96 Y CA -1.131 56.976 58.100 0.012 0.000 1.131 96 Y CB 1.834 40.308 38.460 0.022 0.000 1.318 96 Y HN 0.254 nan 8.280 nan 0.000 0.510 97 L N -0.031 121.360 121.223 0.281 0.000 2.424 97 L HA 0.736 5.078 4.340 0.003 0.000 0.258 97 L C -1.812 175.098 176.870 0.067 0.000 0.995 97 L CA -1.148 53.779 54.840 0.145 0.000 0.821 97 L CB 2.211 44.247 42.059 -0.039 0.000 1.383 97 L HN 0.532 nan 8.230 nan 0.000 0.410 98 N N 2.425 121.163 118.700 0.063 0.000 2.238 98 N HA 0.731 5.472 4.740 0.003 0.000 0.302 98 N C -1.362 174.030 175.510 -0.197 0.000 1.072 98 N CA -0.189 52.783 53.050 -0.130 0.000 0.792 98 N CB 2.724 41.136 38.487 -0.125 0.000 1.425 98 N HN 0.708 nan 8.380 nan 0.000 0.478 99 I N 0.477 120.834 120.570 -0.354 0.000 2.498 99 I HA 0.398 4.570 4.170 0.003 0.000 0.290 99 I C -0.779 175.237 176.117 -0.169 0.000 1.032 99 I CA -0.656 60.552 61.300 -0.153 0.000 1.073 99 I CB 2.256 40.092 38.000 -0.274 0.000 1.251 99 I HN 0.245 nan 8.210 nan 0.000 0.426 100 W N 6.222 127.630 121.300 0.179 0.000 2.362 100 W HA 0.533 5.195 4.660 0.003 0.000 0.316 100 W C -1.094 175.535 176.519 0.184 0.000 1.024 100 W CA -0.619 56.832 57.345 0.176 0.000 1.270 100 W CB 2.012 31.560 29.460 0.147 0.000 1.273 100 W HN 0.086 nan 8.180 nan 0.000 0.424 101 V N 5.104 125.249 119.914 0.384 0.000 2.435 101 V HA 0.300 4.422 4.120 0.003 0.000 0.290 101 V C -1.869 174.384 176.094 0.266 0.000 1.030 101 V CA -2.378 60.116 62.300 0.324 0.000 0.881 101 V CB 1.505 33.564 31.823 0.394 0.000 0.983 101 V HN 0.238 nan 8.190 nan 0.000 0.445 102 P HA 0.085 nan 4.420 nan 0.000 0.270 102 P C -0.464 176.925 177.300 0.149 0.000 1.221 102 P CA 0.213 63.404 63.100 0.152 0.000 0.788 102 P CB 0.434 32.190 31.700 0.093 0.000 0.904 103 S N 0.573 116.345 115.700 0.119 0.000 2.677 103 S HA 0.528 5.000 4.470 0.003 0.000 0.283 103 S C -2.715 171.929 174.600 0.074 0.000 1.159 103 S CA -1.274 56.992 58.200 0.110 0.000 1.001 103 S CB 0.454 63.726 63.200 0.120 0.000 1.032 103 S HN 0.239 nan 8.310 nan 0.000 0.487 104 P HA 0.217 nan 4.420 nan 0.000 0.271 104 P C -0.340 177.010 177.300 0.083 0.000 1.218 104 P CA -0.516 62.627 63.100 0.071 0.000 0.780 104 P CB 0.376 32.107 31.700 0.052 0.000 0.901 105 R N 3.433 123.997 120.500 0.106 0.000 2.504 105 R HA 0.064 4.406 4.340 0.003 0.000 0.291 105 R C -1.826 174.527 176.300 0.088 0.000 0.974 105 R CA -0.689 55.486 56.100 0.124 0.000 1.077 105 R CB -0.397 29.986 30.300 0.138 0.000 0.926 105 R HN 0.359 nan 8.270 nan 0.000 0.407 106 P HA 0.106 nan 4.420 nan 0.000 0.275 106 P C -0.614 176.713 177.300 0.044 0.000 1.270 106 P CA -0.209 62.925 63.100 0.057 0.000 0.791 106 P CB 0.660 32.395 31.700 0.058 0.000 1.089 107 K N -1.499 118.914 120.400 0.023 0.000 2.329 107 K HA 0.264 4.586 4.320 0.003 0.000 0.198 107 K C -0.006 176.588 176.600 -0.011 0.000 1.085 107 K CA 0.524 56.815 56.287 0.007 0.000 0.961 107 K CB 0.464 32.965 32.500 0.001 0.000 0.971 107 K HN 0.201 nan 8.250 nan 0.000 0.502 108 S N 0.303 115.997 115.700 -0.010 0.000 2.446 108 S HA 0.194 4.666 4.470 0.003 0.000 0.230 108 S C -1.452 173.140 174.600 -0.013 0.000 1.051 108 S CA -0.582 57.603 58.200 -0.025 0.000 1.113 108 S CB 1.593 64.768 63.200 -0.042 0.000 1.184 108 S HN 0.099 nan 8.310 nan 0.000 0.435 109 T N 2.009 116.563 114.554 -0.001 0.000 2.906 109 T HA 0.581 4.933 4.350 0.003 0.000 0.295 109 T C -0.243 174.459 174.700 0.004 0.000 1.061 109 T CA -0.351 61.752 62.100 0.005 0.000 1.000 109 T CB 1.083 69.966 68.868 0.025 0.000 1.103 109 T HN 0.448 nan 8.240 nan 0.000 0.486 110 T N 2.662 117.212 114.554 -0.007 0.000 2.905 110 T HA 0.279 4.631 4.350 0.003 0.000 0.299 110 T C 0.183 174.889 174.700 0.011 0.000 1.024 110 T CA -0.372 61.719 62.100 -0.015 0.000 1.151 110 T CB 0.060 68.904 68.868 -0.039 0.000 0.987 110 T HN 0.451 nan 8.240 nan 0.000 0.535 111 V N 4.595 124.520 119.914 0.019 0.000 2.472 111 V HA 0.473 4.595 4.120 0.003 0.000 0.290 111 V C 0.172 176.298 176.094 0.054 0.000 1.037 111 V CA -0.807 61.526 62.300 0.055 0.000 0.908 111 V CB 1.412 33.275 31.823 0.068 0.000 0.985 111 V HN 0.855 nan 8.190 nan 0.000 0.454 112 M N 4.199 123.849 119.600 0.083 0.000 2.253 112 M HA 0.535 5.017 4.480 0.003 0.000 0.314 112 M C -1.271 175.207 176.300 0.297 0.000 1.019 112 M CA -0.638 54.706 55.300 0.072 0.000 0.932 112 M CB 2.189 34.683 32.600 -0.176 0.000 1.606 112 M HN 0.374 nan 8.290 nan 0.000 0.430 113 V N 3.236 123.380 119.914 0.383 0.000 2.313 113 V HA 0.291 4.413 4.120 0.003 0.000 0.278 113 V C -0.626 175.812 176.094 0.573 0.000 1.017 113 V CA -0.664 61.874 62.300 0.396 0.000 0.823 113 V CB 1.077 33.015 31.823 0.193 0.000 1.010 113 V HN 0.869 nan 8.190 nan 0.000 0.443 114 W N 7.105 128.624 121.300 0.365 0.000 2.272 114 W HA 0.592 5.254 4.660 0.003 0.000 0.318 114 W C -1.259 175.218 176.519 -0.070 0.000 1.255 114 W CA -0.672 56.657 57.345 -0.027 0.000 1.200 114 W CB 1.040 30.489 29.460 -0.019 0.000 1.170 114 W HN 0.435 nan 8.180 nan 0.000 0.549 115 I N 9.557 129.561 120.570 -0.944 0.000 2.420 115 I HA 0.050 4.222 4.170 0.003 0.000 0.282 115 I C -0.299 175.121 176.117 -1.160 0.000 1.019 115 I CA -1.131 59.679 61.300 -0.817 0.000 1.130 115 I CB 0.524 38.233 38.000 -0.484 0.000 1.262 115 I HN 0.297 nan 8.210 nan 0.000 0.454 116 Y N 4.537 124.372 120.300 -0.776 0.000 2.457 116 Y HA 0.652 5.203 4.550 0.003 0.000 0.341 116 Y C 0.681 176.434 175.900 -0.244 0.000 1.240 116 Y CA -1.032 56.749 58.100 -0.531 0.000 1.437 116 Y CB -0.138 38.227 38.460 -0.159 0.000 1.328 116 Y HN 0.515 nan 8.280 nan 0.000 0.588 117 G N -0.725 108.119 108.800 0.072 0.000 2.568 117 G HA2 0.509 4.471 3.960 0.003 0.000 0.293 117 G HA3 0.509 4.471 3.960 0.003 0.000 0.293 117 G C 0.185 174.993 174.900 -0.152 0.000 1.347 117 G CA -0.905 44.145 45.100 -0.083 0.000 1.039 117 G HN 1.696 nan 8.290 nan 0.000 0.523 118 G N -2.727 105.827 108.800 -0.411 0.000 2.542 118 G HA2 0.424 4.386 3.960 0.003 0.000 0.223 118 G HA3 0.424 4.386 3.960 0.003 0.000 0.223 118 G C 0.997 175.278 174.900 -1.031 0.000 1.041 118 G CA 0.703 45.400 45.100 -0.671 0.000 0.928 118 G HN 2.222 nan 8.290 nan 0.000 0.558 119 G N -0.387 107.847 108.800 -0.942 0.000 2.280 119 G HA2 -0.163 3.799 3.960 0.003 0.000 0.282 119 G HA3 -0.163 3.799 3.960 0.003 0.000 0.282 119 G C 0.963 175.475 174.900 -0.646 0.000 1.000 119 G CA 1.039 45.365 45.100 -1.290 0.000 0.751 119 G HN 1.705 nan 8.290 nan 0.000 0.515 120 F N -4.032 115.690 119.950 -0.381 0.000 2.544 120 F HA -0.295 4.234 4.527 0.003 0.000 0.389 120 F C 1.470 177.177 175.800 -0.155 0.000 0.588 120 F CA 1.973 59.825 58.000 -0.247 0.000 1.461 120 F CB -2.016 36.708 39.000 -0.460 0.000 1.995 120 F HN 0.773 nan 8.300 nan 0.000 0.282 121 Y N -0.767 119.563 120.300 0.051 0.000 2.445 121 Y HA 0.676 5.228 4.550 0.003 0.000 0.247 121 Y C 0.716 176.704 175.900 0.147 0.000 1.129 121 Y CA 0.225 58.407 58.100 0.136 0.000 1.251 121 Y CB -0.088 38.460 38.460 0.146 0.000 1.176 121 Y HN 0.081 nan 8.280 nan 0.000 0.522 122 S N -0.542 114.800 115.700 -0.598 0.000 2.720 122 S HA 0.936 5.407 4.470 0.003 0.000 0.287 122 S C -0.197 174.147 174.600 -0.427 0.000 1.168 122 S CA -0.494 57.471 58.200 -0.390 0.000 0.832 122 S CB 1.666 64.600 63.200 -0.442 0.000 1.166 122 S HN 1.231 nan 8.310 nan 0.000 0.493 123 G N -0.451 108.054 108.800 -0.492 0.000 2.348 123 G HA2 0.416 4.378 3.960 0.003 0.000 0.606 123 G HA3 0.416 4.378 3.960 0.003 0.000 0.606 123 G C -1.097 173.139 174.900 -1.106 0.000 1.466 123 G CA -0.333 44.142 45.100 -1.042 0.000 0.950 123 G HN 1.170 nan 8.290 nan 0.000 0.657 124 S N -1.018 114.012 115.700 -1.117 0.000 2.543 124 S HA 0.662 5.134 4.470 0.003 0.000 0.271 124 S C 0.859 175.509 174.600 0.082 0.000 1.148 124 S CA 0.341 58.316 58.200 -0.375 0.000 0.914 124 S CB 1.661 64.758 63.200 -0.172 0.000 1.096 124 S HN 2.001 nan 8.310 nan 0.000 0.471 125 S N 0.737 116.669 115.700 0.385 0.000 2.548 125 S HA -0.016 4.456 4.470 0.003 0.000 0.215 125 S C 1.362 176.203 174.600 0.402 0.000 0.976 125 S CA 0.845 59.395 58.200 0.584 0.000 0.908 125 S CB -0.338 63.203 63.200 0.567 0.000 0.781 125 S HN 0.798 nan 8.310 nan 0.000 0.519 126 T N 0.269 114.892 114.554 0.115 0.000 3.086 126 T HA 0.400 4.752 4.350 0.003 0.000 0.250 126 T C 0.528 175.018 174.700 -0.351 0.000 1.074 126 T CA -0.544 61.358 62.100 -0.330 0.000 0.988 126 T CB -0.590 67.975 68.868 -0.506 0.000 0.988 126 T HN 0.348 nan 8.240 nan 0.000 0.530 127 L N 2.010 123.136 121.223 -0.161 0.000 2.483 127 L HA 0.183 4.525 4.340 0.003 0.000 0.276 127 L C 1.346 178.010 176.870 -0.343 0.000 1.213 127 L CA -0.563 54.072 54.840 -0.340 0.000 0.843 127 L CB 0.282 41.980 42.059 -0.601 0.000 1.107 127 L HN 0.038 nan 8.230 nan 0.000 0.487 128 D N 1.335 121.536 120.400 -0.332 0.000 2.149 128 D HA -0.161 4.481 4.640 0.003 0.000 0.194 128 D C 1.936 178.038 176.300 -0.331 0.000 1.001 128 D CA 1.522 55.369 54.000 -0.254 0.000 0.849 128 D CB -0.092 40.566 40.800 -0.236 0.000 0.939 128 D HN 0.536 nan 8.370 nan 0.000 0.449 129 V N -1.615 117.981 119.914 -0.530 0.000 3.305 129 V HA -0.111 4.011 4.120 0.003 0.000 0.269 129 V C 1.068 176.706 176.094 -0.759 0.000 1.157 129 V CA 0.912 62.852 62.300 -0.600 0.000 1.157 129 V CB -1.005 30.398 31.823 -0.701 0.000 0.772 129 V HN 0.074 nan 8.190 nan 0.000 0.498 130 Y N 0.270 120.132 120.300 -0.729 0.000 2.555 130 Y HA 0.403 4.955 4.550 0.003 0.000 0.259 130 Y C 1.146 176.716 175.900 -0.550 0.000 1.179 130 Y CA -1.674 55.732 58.100 -1.157 0.000 1.230 130 Y CB -0.684 37.415 38.460 -0.601 0.000 1.146 130 Y HN 0.300 nan 8.280 nan 0.000 0.526 131 N N 1.442 120.030 118.700 -0.186 0.000 2.416 131 N HA -0.037 4.705 4.740 0.003 0.000 0.271 131 N C 1.407 176.738 175.510 -0.299 0.000 1.245 131 N CA 0.676 53.635 53.050 -0.152 0.000 0.940 131 N CB 1.113 39.621 38.487 0.035 0.000 1.175 131 N HN 0.490 nan 8.380 nan 0.000 0.483 132 G N 3.868 112.011 108.800 -1.094 0.000 2.527 132 G HA2 -0.284 3.678 3.960 0.003 0.000 0.219 132 G HA3 -0.284 3.678 3.960 0.003 0.000 0.219 132 G C 1.514 175.968 174.900 -0.743 0.000 1.117 132 G CA 0.763 45.266 45.100 -0.996 0.000 0.759 132 G HN 0.783 nan 8.290 nan 0.000 0.556 133 K N -0.314 119.555 120.400 -0.885 0.000 2.097 133 K HA -0.117 4.205 4.320 0.003 0.000 0.205 133 K C 1.857 178.284 176.600 -0.289 0.000 1.050 133 K CA 1.118 57.123 56.287 -0.469 0.000 0.938 133 K CB -0.538 31.681 32.500 -0.468 0.000 0.718 133 K HN 0.356 nan 8.250 nan 0.000 0.442 134 Y N 1.104 121.329 120.300 -0.125 0.000 2.293 134 Y HA -0.099 4.453 4.550 0.003 0.000 0.291 134 Y C 2.274 178.176 175.900 0.004 0.000 1.137 134 Y CA 0.431 58.500 58.100 -0.052 0.000 1.202 134 Y CB -0.415 37.990 38.460 -0.092 0.000 0.990 134 Y HN 0.046 nan 8.280 nan 0.000 0.537 135 L N 0.298 121.570 121.223 0.082 0.000 2.068 135 L HA 0.041 4.383 4.340 0.003 0.000 0.204 135 L C 2.397 179.299 176.870 0.054 0.000 1.076 135 L CA 1.799 56.643 54.840 0.008 0.000 0.753 135 L CB -1.340 40.631 42.059 -0.145 0.000 0.910 135 L HN 0.115 nan 8.230 nan 0.000 0.439 136 A N -1.206 121.658 122.820 0.074 0.000 1.892 136 A HA -0.322 3.999 4.320 0.003 0.000 0.218 136 A C 2.324 180.003 177.584 0.157 0.000 1.188 136 A CA 2.242 54.365 52.037 0.144 0.000 0.631 136 A CB -1.224 17.920 19.000 0.240 0.000 0.822 136 A HN 0.633 nan 8.150 nan 0.000 0.447 137 Y N 0.807 121.117 120.300 0.016 0.000 2.130 137 Y HA -0.118 4.434 4.550 0.003 0.000 0.287 137 Y C 2.725 178.639 175.900 0.023 0.000 1.124 137 Y CA 2.296 60.404 58.100 0.014 0.000 1.118 137 Y CB -0.859 37.584 38.460 -0.027 0.000 0.994 137 Y HN 0.288 nan 8.280 nan 0.000 0.497 138 T N 0.787 115.490 114.554 0.247 0.000 2.607 138 T HA -0.191 4.161 4.350 0.003 0.000 0.267 138 T C 1.335 176.052 174.700 0.028 0.000 1.049 138 T CA 1.964 64.140 62.100 0.127 0.000 1.162 138 T CB -0.240 68.723 68.868 0.158 0.000 0.863 138 T HN 0.355 nan 8.240 nan 0.000 0.424 139 E N 0.620 120.851 120.200 0.052 0.000 2.479 139 E HA 0.139 4.491 4.350 0.003 0.000 0.193 139 E C -0.086 176.529 176.600 0.025 0.000 1.049 139 E CA 0.004 56.435 56.400 0.052 0.000 0.870 139 E CB -0.028 29.708 29.700 0.061 0.000 0.944 139 E HN 0.557 nan 8.360 nan 0.000 0.492 140 E N 0.075 120.277 120.200 0.004 0.000 2.596 140 E HA -0.174 4.178 4.350 0.003 0.000 0.154 140 E C -1.165 175.455 176.600 0.032 0.000 1.849 140 E CA 0.255 56.660 56.400 0.008 0.000 0.629 140 E CB -0.754 28.938 29.700 -0.013 0.000 1.066 140 E HN -0.085 nan 8.360 nan 0.000 0.334 141 V N 2.074 122.022 119.914 0.056 0.000 3.087 141 V HA 0.374 4.496 4.120 0.003 0.000 0.306 141 V C -0.389 175.769 176.094 0.106 0.000 1.187 141 V CA -0.941 61.392 62.300 0.056 0.000 0.999 141 V CB 2.628 34.466 31.823 0.026 0.000 1.049 141 V HN 0.150 nan 8.190 nan 0.000 0.431 142 V N 5.090 125.069 119.914 0.108 0.000 2.385 142 V HA 0.377 4.499 4.120 0.003 0.000 0.269 142 V C -0.059 176.148 176.094 0.188 0.000 1.043 142 V CA -0.096 62.299 62.300 0.158 0.000 0.906 142 V CB 1.221 33.129 31.823 0.141 0.000 0.995 142 V HN 0.602 nan 8.190 nan 0.000 0.467 143 L N 7.045 128.439 121.223 0.284 0.000 2.282 143 L HA 0.725 5.067 4.340 0.003 0.000 0.288 143 L C -0.408 176.740 176.870 0.464 0.000 1.033 143 L CA -0.371 54.687 54.840 0.363 0.000 0.807 143 L CB 1.747 44.011 42.059 0.342 0.000 1.209 143 L HN 0.567 nan 8.230 nan 0.000 0.423 144 V N 3.023 123.184 119.914 0.412 0.000 2.769 144 V HA 0.822 4.943 4.120 0.003 0.000 0.312 144 V C -0.591 175.783 176.094 0.466 0.000 1.061 144 V CA -0.157 62.355 62.300 0.354 0.000 0.931 144 V CB 2.243 34.169 31.823 0.171 0.000 1.010 144 V HN 0.830 nan 8.190 nan 0.000 0.433 145 S N 6.470 122.446 115.700 0.461 0.000 2.707 145 S HA 0.726 5.197 4.470 0.003 0.000 0.303 145 S C -0.800 173.999 174.600 0.332 0.000 1.132 145 S CA -0.747 57.759 58.200 0.510 0.000 1.046 145 S CB 1.043 64.672 63.200 0.715 0.000 1.004 145 S HN 1.706 nan 8.310 nan 0.000 0.483 146 L N 1.229 122.570 121.223 0.197 0.000 2.431 146 L HA 0.970 5.311 4.340 0.003 0.000 0.260 146 L C 0.017 177.010 176.870 0.204 0.000 1.098 146 L CA -0.506 54.407 54.840 0.122 0.000 0.800 146 L CB 0.561 42.566 42.059 -0.090 0.000 1.210 146 L HN 0.773 nan 8.230 nan 0.000 0.465 147 S N -0.670 115.240 115.700 0.349 0.000 2.600 147 S HA 0.879 5.351 4.470 0.003 0.000 0.300 147 S C -1.013 173.850 174.600 0.437 0.000 1.087 147 S CA -0.534 57.891 58.200 0.375 0.000 0.965 147 S CB 1.351 64.805 63.200 0.423 0.000 1.089 147 S HN 1.049 nan 8.310 nan 0.000 0.496 148 Y N -1.417 118.998 120.300 0.192 0.000 2.571 148 Y HA 0.669 5.221 4.550 0.003 0.000 0.341 148 Y C -0.843 175.222 175.900 0.276 0.000 1.076 148 Y CA -1.435 56.781 58.100 0.194 0.000 1.029 148 Y CB 0.970 39.493 38.460 0.106 0.000 1.308 148 Y HN 0.673 nan 8.280 nan 0.000 0.461 149 R N 2.459 123.167 120.500 0.347 0.000 2.316 149 R HA 0.500 4.841 4.340 0.003 0.000 0.314 149 R C -0.233 176.364 176.300 0.495 0.000 1.069 149 R CA -0.464 55.806 56.100 0.285 0.000 0.959 149 R CB 0.903 31.316 30.300 0.187 0.000 0.987 149 R HN 0.699 nan 8.270 nan 0.000 0.446 150 V N 0.517 120.707 119.914 0.460 0.000 3.096 150 V HA 0.890 5.012 4.120 0.003 0.000 0.319 150 V C 0.770 177.211 176.094 0.579 0.000 1.082 150 V CA 0.030 62.672 62.300 0.571 0.000 1.022 150 V CB 1.240 33.202 31.823 0.231 0.000 1.103 150 V HN 0.961 nan 8.190 nan 0.000 0.455 151 G N 0.985 110.097 108.800 0.520 0.000 2.697 151 G HA2 0.089 4.050 3.960 0.003 0.000 0.240 151 G HA3 0.089 4.050 3.960 0.003 0.000 0.240 151 G C 0.899 175.981 174.900 0.302 0.000 1.346 151 G CA 0.609 45.969 45.100 0.434 0.000 0.887 151 G HN 2.188 nan 8.290 nan 0.000 0.569 152 A N -1.212 121.528 122.820 -0.133 0.000 1.903 152 A HA 0.032 4.354 4.320 0.003 0.000 0.219 152 A C 2.265 179.721 177.584 -0.213 0.000 1.191 152 A CA 2.966 54.535 52.037 -0.780 0.000 0.638 152 A CB -0.629 17.808 19.000 -0.939 0.000 0.823 152 A HN 1.171 nan 8.150 nan 0.000 0.451 153 F N -0.078 119.983 119.950 0.185 0.000 2.120 153 F HA -0.116 4.413 4.527 0.004 0.000 0.300 153 F C 2.556 178.456 175.800 0.167 0.000 1.095 153 F CA 1.415 59.525 58.000 0.185 0.000 1.249 153 F CB -0.920 38.130 39.000 0.084 0.000 0.995 153 F HN 0.296 nan 8.300 nan 0.000 0.480 154 G N -2.720 106.313 108.800 0.388 0.000 2.833 154 G HA2 0.033 3.995 3.960 0.003 0.000 0.210 154 G HA3 0.033 3.995 3.960 0.003 0.000 0.210 154 G C 0.619 175.400 174.900 -0.199 0.000 1.139 154 G CA 0.052 45.219 45.100 0.112 0.000 0.771 154 G HN 0.321 nan 8.290 nan 0.000 0.535 155 F N -0.085 119.922 119.950 0.094 0.000 2.815 155 F HA 0.457 4.986 4.527 0.003 0.000 0.335 155 F C 0.132 175.904 175.800 -0.048 0.000 1.179 155 F CA -0.902 57.121 58.000 0.038 0.000 1.204 155 F CB 0.594 39.644 39.000 0.085 0.000 1.050 155 F HN -0.126 nan 8.300 nan 0.000 0.510 156 L N 1.911 123.091 121.223 -0.071 0.000 2.410 156 L HA 0.570 4.912 4.340 0.003 0.000 0.273 156 L C 0.424 177.238 176.870 -0.094 0.000 1.144 156 L CA 0.018 54.690 54.840 -0.280 0.000 0.863 156 L CB 0.804 42.470 42.059 -0.655 0.000 1.140 156 L HN 0.209 nan 8.230 nan 0.000 0.463 157 A N 7.307 130.122 122.820 -0.010 0.000 2.654 157 A HA 0.444 4.766 4.320 0.003 0.000 0.345 157 A C -0.434 177.165 177.584 0.025 0.000 1.368 157 A CA -0.470 51.585 52.037 0.030 0.000 0.895 157 A CB -0.245 18.799 19.000 0.074 0.000 1.143 157 A HN 0.682 nan 8.150 nan 0.000 0.490 158 L N 2.930 124.150 121.223 -0.005 0.000 2.449 158 L HA 0.154 4.496 4.340 0.003 0.000 0.255 158 L C 1.543 178.446 176.870 0.056 0.000 1.167 158 L CA -0.573 54.271 54.840 0.007 0.000 1.090 158 L CB -0.222 41.811 42.059 -0.043 0.000 1.385 158 L HN 0.947 nan 8.230 nan 0.000 0.411 159 H N 3.293 122.360 119.070 -0.005 0.000 2.286 159 H HA -0.275 4.283 4.556 0.003 0.000 0.284 159 H C 1.899 177.233 175.328 0.010 0.000 1.116 159 H CA 2.306 58.359 56.048 0.008 0.000 1.175 159 H CB 0.134 29.904 29.762 0.013 0.000 1.347 159 H HN 0.608 nan 8.280 nan 0.000 0.475 160 G N -0.841 107.879 108.800 -0.133 0.000 2.848 160 G HA2 -0.030 3.932 3.960 0.003 0.000 0.208 160 G HA3 -0.030 3.932 3.960 0.003 0.000 0.208 160 G C 0.553 175.373 174.900 -0.133 0.000 1.152 160 G CA 0.562 45.535 45.100 -0.211 0.000 0.789 160 G HN 0.557 nan 8.290 nan 0.000 0.531 161 S N -0.818 114.834 115.700 -0.080 0.000 2.617 161 S HA 0.330 4.802 4.470 0.003 0.000 0.283 161 S C 1.241 175.824 174.600 -0.028 0.000 1.189 161 S CA -0.151 58.024 58.200 -0.041 0.000 1.036 161 S CB 1.731 64.920 63.200 -0.018 0.000 1.014 161 S HN 0.322 nan 8.310 nan 0.000 0.522 162 Q N 1.618 121.413 119.800 -0.009 0.000 2.402 162 Q HA 0.228 4.570 4.340 0.003 0.000 0.206 162 Q C 0.899 176.917 176.000 0.031 0.000 0.919 162 Q CA 0.847 56.653 55.803 0.006 0.000 0.923 162 Q CB 0.005 28.746 28.738 0.006 0.000 1.048 162 Q HN 0.621 nan 8.270 nan 0.000 0.515 163 E N 0.777 121.001 120.200 0.040 0.000 2.230 163 E HA 0.202 4.554 4.350 0.003 0.000 0.192 163 E C -0.034 176.633 176.600 0.110 0.000 0.987 163 E CA 0.942 57.388 56.400 0.078 0.000 0.841 163 E CB 0.708 30.459 29.700 0.084 0.000 0.783 163 E HN 0.397 nan 8.360 nan 0.000 0.481 164 A N 1.617 124.473 122.820 0.060 0.000 3.399 164 A HA 0.307 4.629 4.320 0.003 0.000 0.262 164 A C -2.706 174.887 177.584 0.015 0.000 1.145 164 A CA -0.983 51.083 52.037 0.047 0.000 0.916 164 A CB 0.549 19.524 19.000 -0.042 0.000 1.360 164 A HN -0.116 nan 8.150 nan 0.000 0.628 165 P HA 0.398 nan 4.420 nan 0.000 0.279 165 P C 0.882 178.216 177.300 0.056 0.000 1.282 165 P CA 0.213 63.344 63.100 0.052 0.000 0.788 165 P CB 0.859 32.587 31.700 0.048 0.000 1.139 166 G N -0.208 108.645 108.800 0.088 0.000 2.468 166 G HA2 -0.035 3.926 3.960 0.003 0.000 0.264 166 G HA3 -0.035 3.926 3.960 0.003 0.000 0.264 166 G C 0.008 174.878 174.900 -0.049 0.000 1.460 166 G CA -0.514 44.608 45.100 0.038 0.000 1.060 166 G HN 0.612 nan 8.290 nan 0.000 0.543 167 N N -1.583 117.028 118.700 -0.149 0.000 2.618 167 N HA -0.197 4.545 4.740 0.003 0.000 0.247 167 N C 1.273 176.529 175.510 -0.422 0.000 1.108 167 N CA 0.693 53.524 53.050 -0.365 0.000 0.754 167 N CB -0.890 37.269 38.487 -0.545 0.000 1.029 167 N HN 0.190 nan 8.380 nan 0.000 0.548 168 V N -0.594 119.129 119.914 -0.319 0.000 2.380 168 V HA -0.264 3.858 4.120 0.003 0.000 0.251 168 V C 2.403 178.330 176.094 -0.279 0.000 1.063 168 V CA 2.398 64.577 62.300 -0.200 0.000 1.055 168 V CB -0.721 31.048 31.823 -0.089 0.000 0.657 168 V HN 0.705 nan 8.190 nan 0.000 0.455 169 G N -1.392 107.044 108.800 -0.607 0.000 2.650 169 G HA2 -0.104 3.858 3.960 0.003 0.000 0.214 169 G HA3 -0.104 3.858 3.960 0.003 0.000 0.214 169 G C 1.392 176.147 174.900 -0.241 0.000 1.136 169 G CA 0.361 45.193 45.100 -0.446 0.000 0.789 169 G HN 0.422 nan 8.290 nan 0.000 0.536 170 L N 0.100 121.107 121.223 -0.359 0.000 2.221 170 L HA 0.384 4.726 4.340 0.003 0.000 0.202 170 L C 2.656 179.578 176.870 0.087 0.000 1.074 170 L CA 0.830 55.531 54.840 -0.232 0.000 0.795 170 L CB -0.338 41.317 42.059 -0.673 0.000 0.960 170 L HN 0.107 nan 8.230 nan 0.000 0.458 171 L N -0.556 120.701 121.223 0.057 0.000 2.042 171 L HA -0.233 4.109 4.340 0.003 0.000 0.210 171 L C 2.058 179.020 176.870 0.154 0.000 1.076 171 L CA 1.267 56.218 54.840 0.184 0.000 0.749 171 L CB -0.783 41.350 42.059 0.124 0.000 0.893 171 L HN 0.282 nan 8.230 nan 0.000 0.432 172 D N -0.232 120.245 120.400 0.128 0.000 2.117 172 D HA -0.192 4.449 4.640 0.003 0.000 0.197 172 D C 2.278 178.695 176.300 0.195 0.000 0.987 172 D CA 1.010 55.156 54.000 0.243 0.000 0.829 172 D CB -0.229 40.732 40.800 0.269 0.000 0.961 172 D HN 0.390 nan 8.370 nan 0.000 0.460 173 Q N 0.196 120.060 119.800 0.107 0.000 2.077 173 Q HA -0.168 4.174 4.340 0.003 0.000 0.206 173 Q C 2.311 178.259 176.000 -0.086 0.000 0.989 173 Q CA 1.170 56.971 55.803 -0.004 0.000 0.853 173 Q CB -0.105 28.648 28.738 0.024 0.000 0.907 173 Q HN 0.216 nan 8.270 nan 0.000 0.418 174 R N 0.433 120.951 120.500 0.030 0.000 2.081 174 R HA -0.141 4.201 4.340 0.003 0.000 0.235 174 R C 2.251 178.530 176.300 -0.034 0.000 1.131 174 R CA 1.433 57.514 56.100 -0.033 0.000 0.960 174 R CB -0.154 30.211 30.300 0.108 0.000 0.856 174 R HN 0.277 nan 8.270 nan 0.000 0.436 175 M N -0.089 119.529 119.600 0.031 0.000 2.117 175 M HA -0.138 4.344 4.480 0.003 0.000 0.262 175 M C 2.132 178.369 176.300 -0.105 0.000 1.065 175 M CA 2.048 57.395 55.300 0.078 0.000 1.114 175 M CB -0.074 32.687 32.600 0.269 0.000 1.361 175 M HN 0.274 nan 8.290 nan 0.000 0.408 176 A N 0.103 122.590 122.820 -0.556 0.000 1.940 176 A HA -0.163 4.159 4.320 0.003 0.000 0.219 176 A C 1.928 179.339 177.584 -0.289 0.000 1.176 176 A CA 1.440 52.894 52.037 -0.972 0.000 0.631 176 A CB -0.888 17.391 19.000 -1.202 0.000 0.814 176 A HN 0.507 nan 8.150 nan 0.000 0.446 177 L N -0.780 120.327 121.223 -0.193 0.000 1.994 177 L HA -0.175 4.167 4.340 0.003 0.000 0.208 177 L C 2.602 179.510 176.870 0.063 0.000 1.071 177 L CA 2.344 57.151 54.840 -0.056 0.000 0.745 177 L CB -0.947 41.034 42.059 -0.130 0.000 0.892 177 L HN 0.469 nan 8.230 nan 0.000 0.431 178 Q N -1.158 118.674 119.800 0.052 0.000 1.998 178 Q HA -0.312 4.030 4.340 0.003 0.000 0.209 178 Q C 2.171 178.298 176.000 0.212 0.000 1.002 178 Q CA 2.506 58.367 55.803 0.098 0.000 0.858 178 Q CB -0.967 27.814 28.738 0.073 0.000 0.932 178 Q HN 0.534 nan 8.270 nan 0.000 0.416 179 W N -0.473 120.842 121.300 0.025 0.000 2.321 179 W HA -0.244 4.418 4.660 0.003 0.000 0.306 179 W C 1.954 178.514 176.519 0.068 0.000 1.217 179 W CA 1.902 59.285 57.345 0.063 0.000 1.257 179 W CB -0.172 29.326 29.460 0.063 0.000 1.145 179 W HN 0.066 nan 8.180 nan 0.000 0.509 180 V N -0.044 120.134 119.914 0.440 0.000 2.392 180 V HA -0.398 3.724 4.120 0.003 0.000 0.249 180 V C 2.481 178.655 176.094 0.133 0.000 1.059 180 V CA 2.307 64.795 62.300 0.313 0.000 1.051 180 V CB -1.452 30.489 31.823 0.197 0.000 0.658 180 V HN 0.390 nan 8.190 nan 0.000 0.455 181 H N 0.908 120.006 119.070 0.047 0.000 2.267 181 H HA -0.183 4.375 4.556 0.003 0.000 0.297 181 H C 1.899 177.174 175.328 -0.087 0.000 1.080 181 H CA 2.225 58.262 56.048 -0.018 0.000 1.278 181 H CB -0.055 29.698 29.762 -0.014 0.000 1.365 181 H HN 0.407 nan 8.280 nan 0.000 0.489 182 D N -0.323 120.063 120.400 -0.024 0.000 2.347 182 D HA -0.030 4.612 4.640 0.003 0.000 0.215 182 D C 0.893 177.018 176.300 -0.291 0.000 0.976 182 D CA 0.601 54.517 54.000 -0.140 0.000 0.884 182 D CB 0.014 40.759 40.800 -0.091 0.000 0.915 182 D HN 0.516 nan 8.370 nan 0.000 0.526 183 N N -0.588 117.901 118.700 -0.352 0.000 2.011 183 N HA 0.022 4.764 4.740 0.003 0.000 0.228 183 N C 1.037 176.523 175.510 -0.040 0.000 1.378 183 N CA -0.123 52.752 53.050 -0.291 0.000 0.852 183 N CB 1.008 39.109 38.487 -0.644 0.000 1.111 183 N HN -0.039 nan 8.380 nan 0.000 0.497 184 I N 3.054 123.647 120.570 0.038 0.000 2.756 184 I HA -0.200 3.972 4.170 0.003 0.000 0.262 184 I C 2.395 178.546 176.117 0.056 0.000 1.225 184 I CA 1.372 62.835 61.300 0.271 0.000 1.472 184 I CB -0.100 37.974 38.000 0.124 0.000 1.094 184 I HN 0.170 nan 8.210 nan 0.000 0.454 185 Q N -1.173 118.431 119.800 -0.326 0.000 2.167 185 Q HA -0.166 4.176 4.340 0.003 0.000 0.202 185 Q C 1.611 177.332 176.000 -0.465 0.000 0.970 185 Q CA 1.423 56.952 55.803 -0.457 0.000 0.855 185 Q CB -0.696 27.633 28.738 -0.682 0.000 0.911 185 Q HN 0.371 nan 8.270 nan 0.000 0.438 186 F N -0.516 119.303 119.950 -0.220 0.000 2.802 186 F HA 0.131 4.660 4.527 0.003 0.000 0.300 186 F C 0.741 176.189 175.800 -0.585 0.000 1.168 186 F CA 0.068 57.806 58.000 -0.438 0.000 1.433 186 F CB -0.047 38.565 39.000 -0.646 0.000 1.115 186 F HN 0.013 nan 8.300 nan 0.000 0.582 187 F N -1.433 118.516 119.950 -0.003 0.000 2.752 187 F HA 0.445 4.974 4.527 0.003 0.000 0.310 187 F C 1.838 177.648 175.800 0.016 0.000 1.097 187 F CA 0.491 58.478 58.000 -0.021 0.000 1.238 187 F CB 0.453 39.423 39.000 -0.050 0.000 1.061 187 F HN -0.076 nan 8.300 nan 0.000 0.591 188 G N 0.071 108.956 108.800 0.141 0.000 2.227 188 G HA2 -0.059 3.902 3.960 0.003 0.000 0.168 188 G HA3 -0.059 3.902 3.960 0.003 0.000 0.168 188 G C 0.465 175.404 174.900 0.065 0.000 1.006 188 G CA -0.476 44.678 45.100 0.089 0.000 0.684 188 G HN 0.592 nan 8.290 nan 0.000 0.489 189 G N 0.227 109.073 108.800 0.078 0.000 2.372 189 G HA2 0.468 4.430 3.960 0.003 0.000 0.283 189 G HA3 0.468 4.430 3.960 0.003 0.000 0.283 189 G C -0.615 174.264 174.900 -0.036 0.000 1.177 189 G CA 0.234 45.357 45.100 0.039 0.000 0.842 189 G HN 0.197 nan 8.290 nan 0.000 0.503 190 D N 2.936 123.314 120.400 -0.036 0.000 2.402 190 D HA 0.197 4.839 4.640 0.003 0.000 0.235 190 D C -0.894 175.357 176.300 -0.081 0.000 1.226 190 D CA -2.353 51.606 54.000 -0.068 0.000 0.918 190 D CB 1.453 42.222 40.800 -0.052 0.000 1.043 190 D HN 0.099 nan 8.370 nan 0.000 0.506 191 P HA -0.164 nan 4.420 nan 0.000 0.226 191 P C 0.589 177.818 177.300 -0.118 0.000 1.146 191 P CA 0.889 63.888 63.100 -0.169 0.000 0.773 191 P CB -0.026 31.468 31.700 -0.342 0.000 0.772 192 K N -0.278 120.064 120.400 -0.096 0.000 2.404 192 K HA 0.105 4.427 4.320 0.003 0.000 0.194 192 K C -0.111 176.459 176.600 -0.049 0.000 1.023 192 K CA 0.402 56.650 56.287 -0.065 0.000 1.094 192 K CB -0.345 32.115 32.500 -0.066 0.000 0.841 192 K HN 0.064 nan 8.250 nan 0.000 0.523 193 T N -0.905 113.623 114.554 -0.043 0.000 3.446 193 T HA 0.247 4.599 4.350 0.003 0.000 0.289 193 T C -0.703 173.990 174.700 -0.012 0.000 1.203 193 T CA -0.819 61.258 62.100 -0.037 0.000 1.645 193 T CB 0.472 69.303 68.868 -0.062 0.000 0.841 193 T HN 0.100 nan 8.240 nan 0.000 0.617 194 V N -0.166 119.765 119.914 0.028 0.000 2.448 194 V HA 0.828 4.949 4.120 0.003 0.000 0.295 194 V C -0.606 175.562 176.094 0.123 0.000 1.025 194 V CA -0.280 62.065 62.300 0.074 0.000 0.859 194 V CB 1.747 33.635 31.823 0.107 0.000 0.988 194 V HN 0.582 nan 8.190 nan 0.000 0.431 195 T N 8.233 122.849 114.554 0.102 0.000 2.743 195 T HA 0.527 4.878 4.350 0.003 0.000 0.292 195 T C 0.136 174.944 174.700 0.179 0.000 0.972 195 T CA -0.136 62.048 62.100 0.140 0.000 0.967 195 T CB 0.587 69.491 68.868 0.059 0.000 0.926 195 T HN 0.899 nan 8.240 nan 0.000 0.459 196 I N 2.551 123.220 120.570 0.164 0.000 2.363 196 I HA 0.563 4.735 4.170 0.003 0.000 0.292 196 I C -0.331 175.940 176.117 0.257 0.000 1.075 196 I CA -0.772 60.601 61.300 0.121 0.000 1.333 196 I CB -0.155 37.737 38.000 -0.179 0.000 1.415 196 I HN 0.326 nan 8.210 nan 0.000 0.502 197 F N 4.307 124.310 119.950 0.088 0.000 2.483 197 F HA 1.040 5.569 4.527 0.003 0.000 0.329 197 F C 0.087 175.845 175.800 -0.070 0.000 1.064 197 F CA -2.070 56.005 58.000 0.126 0.000 0.986 197 F CB 1.017 40.213 39.000 0.325 0.000 1.218 197 F HN 0.721 nan 8.300 nan 0.000 0.484 198 G N 0.633 109.317 108.800 -0.194 0.000 2.579 198 G HA2 0.431 4.393 3.960 0.003 0.000 0.292 198 G HA3 0.431 4.393 3.960 0.003 0.000 0.292 198 G C -2.471 172.235 174.900 -0.324 0.000 1.484 198 G CA -0.842 43.840 45.100 -0.698 0.000 0.813 198 G HN 0.853 nan 8.290 nan 0.000 0.515 199 E N 0.547 120.504 120.200 -0.405 0.000 2.210 199 E HA 0.602 4.954 4.350 0.003 0.000 0.266 199 E C 0.642 177.179 176.600 -0.104 0.000 0.883 199 E CA 0.328 56.669 56.400 -0.099 0.000 0.761 199 E CB 2.027 31.772 29.700 0.076 0.000 1.156 199 E HN 0.917 nan 8.360 nan 0.000 0.412 200 S N 3.289 118.989 115.700 -0.000 0.000 4.157 200 S HA -0.379 4.093 4.470 0.003 0.000 0.578 200 S C 1.269 175.963 174.600 0.158 0.000 1.867 200 S CA 1.856 60.135 58.200 0.132 0.000 4.249 200 S CB -1.594 61.622 63.200 0.026 0.000 0.208 200 S HN 0.829 nan 8.310 nan 0.000 0.457 201 A N 1.439 124.207 122.820 -0.085 0.000 2.178 201 A HA 0.523 4.844 4.320 0.003 0.000 0.211 201 A C 2.215 179.602 177.584 -0.329 0.000 1.157 201 A CA 1.489 53.304 52.037 -0.370 0.000 0.780 201 A CB -1.013 17.339 19.000 -1.080 0.000 0.828 201 A HN 1.361 nan 8.150 nan 0.000 0.476 202 G N 0.035 108.689 108.800 -0.242 0.000 2.404 202 G HA2 0.090 4.052 3.960 0.003 0.000 0.214 202 G HA3 0.090 4.052 3.960 0.003 0.000 0.214 202 G C 1.487 176.219 174.900 -0.279 0.000 1.189 202 G CA 1.065 45.965 45.100 -0.333 0.000 0.789 202 G HN 0.575 nan 8.290 nan 0.000 0.533 203 G N 0.894 109.580 108.800 -0.190 0.000 2.408 203 G HA2 0.114 4.076 3.960 0.003 0.000 0.217 203 G HA3 0.114 4.076 3.960 0.003 0.000 0.217 203 G C 1.973 176.773 174.900 -0.166 0.000 1.150 203 G CA 1.472 46.490 45.100 -0.137 0.000 0.776 203 G HN 0.627 nan 8.290 nan 0.000 0.542 204 A N 0.637 123.373 122.820 -0.140 0.000 1.929 204 A HA 0.130 4.452 4.320 0.003 0.000 0.216 204 A C 2.674 180.182 177.584 -0.127 0.000 1.176 204 A CA 1.965 53.893 52.037 -0.182 0.000 0.628 204 A CB -0.477 18.406 19.000 -0.194 0.000 0.816 204 A HN 0.273 nan 8.150 nan 0.000 0.444 205 S N -0.231 115.419 115.700 -0.084 0.000 2.356 205 S HA -0.147 4.325 4.470 0.003 0.000 0.223 205 S C 1.935 176.404 174.600 -0.217 0.000 1.032 205 S CA 1.457 59.575 58.200 -0.137 0.000 1.005 205 S CB -0.523 62.568 63.200 -0.182 0.000 0.867 205 S HN 0.340 nan 8.310 nan 0.000 0.449 206 V N 1.719 121.537 119.914 -0.159 0.000 2.231 206 V HA -0.229 3.893 4.120 0.003 0.000 0.248 206 V C 2.677 178.685 176.094 -0.143 0.000 1.054 206 V CA 2.150 64.368 62.300 -0.136 0.000 1.015 206 V CB -1.580 30.157 31.823 -0.143 0.000 0.638 206 V HN 0.601 nan 8.190 nan 0.000 0.444 207 G N -0.324 108.353 108.800 -0.204 0.000 2.469 207 G HA2 -0.294 3.668 3.960 0.003 0.000 0.220 207 G HA3 -0.294 3.668 3.960 0.003 0.000 0.220 207 G C 1.499 176.370 174.900 -0.048 0.000 1.136 207 G CA 1.373 46.321 45.100 -0.253 0.000 0.759 207 G HN 0.536 nan 8.290 nan 0.000 0.562 208 M N -0.545 119.041 119.600 -0.024 0.000 2.319 208 M HA 0.063 4.544 4.480 0.003 0.000 0.265 208 M C 2.126 178.528 176.300 0.170 0.000 1.068 208 M CA 1.044 56.482 55.300 0.230 0.000 1.118 208 M CB -0.447 32.414 32.600 0.435 0.000 1.395 208 M HN 0.302 nan 8.290 nan 0.000 0.435 209 H N 0.532 119.678 119.070 0.127 0.000 2.436 209 H HA 0.105 4.663 4.556 0.003 0.000 0.294 209 H C 2.111 177.616 175.328 0.296 0.000 1.048 209 H CA 0.886 56.980 56.048 0.077 0.000 1.353 209 H CB 0.189 29.840 29.762 -0.186 0.000 1.414 209 H HN 0.270 nan 8.280 nan 0.000 0.536 210 I N 0.017 120.826 120.570 0.399 0.000 2.394 210 I HA -0.205 3.967 4.170 0.003 0.000 0.251 210 I C 1.521 177.895 176.117 0.429 0.000 1.136 210 I CA 0.772 62.389 61.300 0.530 0.000 1.425 210 I CB 0.139 38.369 38.000 0.383 0.000 1.079 210 I HN 0.232 nan 8.210 nan 0.000 0.425 211 L N -0.202 121.237 121.223 0.359 0.000 2.249 211 L HA 0.089 4.431 4.340 0.003 0.000 0.207 211 L C 1.432 178.435 176.870 0.223 0.000 1.090 211 L CA 0.793 55.852 54.840 0.365 0.000 0.802 211 L CB -0.070 42.250 42.059 0.435 0.000 0.947 211 L HN 0.041 nan 8.230 nan 0.000 0.453 212 S N 0.301 116.028 115.700 0.045 0.000 2.465 212 S HA 0.204 4.676 4.470 0.003 0.000 0.279 212 S C -1.501 172.998 174.600 -0.169 0.000 1.201 212 S CA -1.365 56.676 58.200 -0.264 0.000 1.053 212 S CB 0.685 63.334 63.200 -0.919 0.000 0.953 212 S HN -0.016 nan 8.310 nan 0.000 0.488 213 P HA -0.106 nan 4.420 nan 0.000 0.216 213 P C 1.645 178.864 177.300 -0.136 0.000 1.154 213 P CA 1.814 64.856 63.100 -0.097 0.000 0.865 213 P CB -0.433 31.218 31.700 -0.083 0.000 0.789 214 G N -0.413 108.253 108.800 -0.222 0.000 2.491 214 G HA2 -0.269 3.692 3.960 0.003 0.000 0.218 214 G HA3 -0.269 3.692 3.960 0.003 0.000 0.218 214 G C 1.723 176.533 174.900 -0.150 0.000 1.180 214 G CA 1.342 46.318 45.100 -0.207 0.000 0.774 214 G HN 0.265 nan 8.290 nan 0.000 0.562 215 S N 0.094 115.717 115.700 -0.128 0.000 2.414 215 S HA 0.020 4.491 4.470 0.003 0.000 0.227 215 S C 2.268 176.971 174.600 0.172 0.000 1.022 215 S CA 0.696 58.939 58.200 0.072 0.000 0.958 215 S CB -0.111 63.234 63.200 0.241 0.000 0.797 215 S HN 0.291 nan 8.310 nan 0.000 0.493 216 R N 1.752 122.311 120.500 0.099 0.000 2.208 216 R HA -0.181 4.161 4.340 0.003 0.000 0.262 216 R C 1.203 177.253 176.300 -0.416 0.000 1.166 216 R CA 2.000 58.048 56.100 -0.086 0.000 0.987 216 R CB -0.458 29.813 30.300 -0.049 0.000 0.887 216 R HN 0.328 nan 8.270 nan 0.000 0.459 217 D N -0.724 119.520 120.400 -0.259 0.000 2.323 217 D HA 0.001 4.643 4.640 0.003 0.000 0.209 217 D C 1.276 177.434 176.300 -0.237 0.000 0.973 217 D CA 0.648 54.498 54.000 -0.251 0.000 0.874 217 D CB 0.116 40.813 40.800 -0.171 0.000 0.930 217 D HN 0.243 nan 8.370 nan 0.000 0.521 218 L N -0.104 121.013 121.223 -0.177 0.000 2.599 218 L HA 0.133 4.475 4.340 0.003 0.000 0.230 218 L C -0.111 176.851 176.870 0.154 0.000 1.141 218 L CA 0.070 54.908 54.840 -0.003 0.000 0.877 218 L CB -0.276 41.804 42.059 0.036 0.000 1.009 218 L HN -0.031 nan 8.230 nan 0.000 0.447 219 F N -4.932 115.028 119.950 0.017 0.000 2.654 219 F HA 0.580 5.109 4.527 0.003 0.000 0.308 219 F C 0.397 176.219 175.800 0.036 0.000 1.108 219 F CA -1.272 56.746 58.000 0.030 0.000 0.957 219 F CB 1.044 40.056 39.000 0.018 0.000 1.309 219 F HN -0.445 nan 8.300 nan 0.000 0.446 220 R N 1.168 121.711 120.500 0.073 0.000 2.055 220 R HA 0.366 4.708 4.340 0.003 0.000 0.221 220 R C 0.131 176.481 176.300 0.082 0.000 1.154 220 R CA 1.577 57.673 56.100 -0.006 0.000 0.975 220 R CB 0.047 30.342 30.300 -0.008 0.000 0.869 220 R HN 0.899 nan 8.270 nan 0.000 0.437 221 R N -1.842 118.787 120.500 0.215 0.000 2.846 221 R HA 0.803 5.145 4.340 0.003 0.000 0.263 221 R C -1.472 175.058 176.300 0.383 0.000 1.080 221 R CA -0.750 55.513 56.100 0.271 0.000 0.961 221 R CB 1.165 31.497 30.300 0.055 0.000 1.231 221 R HN 0.054 nan 8.270 nan 0.000 0.465 222 A N 0.693 123.746 122.820 0.388 0.000 2.539 222 A HA 0.740 5.062 4.320 0.003 0.000 0.296 222 A C -1.175 176.531 177.584 0.202 0.000 1.073 222 A CA -0.966 51.230 52.037 0.264 0.000 0.700 222 A CB 1.567 20.663 19.000 0.159 0.000 1.296 222 A HN 0.604 nan 8.150 nan 0.000 0.405 223 I N 1.190 121.821 120.570 0.101 0.000 2.466 223 I HA 0.450 4.622 4.170 0.003 0.000 0.289 223 I C -1.555 174.601 176.117 0.064 0.000 1.026 223 I CA -0.594 60.685 61.300 -0.035 0.000 1.078 223 I CB 1.865 39.829 38.000 -0.060 0.000 1.249 223 I HN 0.375 nan 8.210 nan 0.000 0.429 224 L N 6.644 127.885 121.223 0.030 0.000 2.404 224 L HA 0.442 4.784 4.340 0.003 0.000 0.272 224 L C -0.534 176.403 176.870 0.112 0.000 0.980 224 L CA -0.541 54.309 54.840 0.015 0.000 0.836 224 L CB 1.709 43.703 42.059 -0.108 0.000 1.238 224 L HN 0.548 nan 8.230 nan 0.000 0.408 225 Q N 0.798 120.702 119.800 0.173 0.000 2.339 225 Q HA 0.641 4.983 4.340 0.003 0.000 0.268 225 Q C -0.376 175.717 176.000 0.155 0.000 1.027 225 Q CA -0.673 55.298 55.803 0.280 0.000 0.759 225 Q CB 1.618 30.667 28.738 0.517 0.000 1.244 225 Q HN 0.534 nan 8.270 nan 0.000 0.464 226 S N 0.632 116.405 115.700 0.123 0.000 3.698 226 S HA -0.113 4.359 4.470 0.003 0.000 0.338 226 S C 0.047 174.757 174.600 0.184 0.000 1.089 226 S CA 0.746 59.030 58.200 0.139 0.000 0.991 226 S CB -1.451 61.812 63.200 0.105 0.000 0.909 226 S HN 1.143 nan 8.310 nan 0.000 0.485 227 G N -0.257 108.594 108.800 0.084 0.000 2.632 227 G HA2 0.708 4.670 3.960 0.003 0.000 0.292 227 G HA3 0.708 4.670 3.960 0.003 0.000 0.292 227 G C -0.998 173.810 174.900 -0.153 0.000 1.465 227 G CA 0.204 45.344 45.100 0.067 0.000 0.824 227 G HN 1.264 nan 8.290 nan 0.000 0.509 228 S N 0.291 115.817 115.700 -0.290 0.000 2.547 228 S HA 0.726 5.198 4.470 0.003 0.000 0.270 228 S C -2.529 171.755 174.600 -0.527 0.000 1.150 228 S CA -0.898 56.972 58.200 -0.549 0.000 0.850 228 S CB 2.842 65.726 63.200 -0.526 0.000 1.118 228 S HN 0.430 nan 8.310 nan 0.000 0.461 229 P HA -0.012 nan 4.420 nan 0.000 0.230 229 P C 0.474 177.550 177.300 -0.373 0.000 1.158 229 P CA 0.801 63.672 63.100 -0.382 0.000 0.769 229 P CB -0.325 31.223 31.700 -0.253 0.000 0.807 230 N N -0.818 117.691 118.700 -0.318 0.000 2.313 230 N HA -0.008 4.734 4.740 0.003 0.000 0.207 230 N C -0.117 175.172 175.510 -0.369 0.000 1.141 230 N CA -0.305 52.596 53.050 -0.250 0.000 0.830 230 N CB -1.267 37.198 38.487 -0.037 0.000 1.008 230 N HN -0.026 nan 8.380 nan 0.000 0.481 231 C N 2.381 121.339 119.300 -0.570 0.000 2.662 231 C HA 0.147 4.609 4.460 0.003 0.000 0.420 231 C C -0.453 174.058 174.990 -0.798 0.000 1.314 231 C CA -0.923 57.611 59.018 -0.808 0.000 1.963 231 C CB 1.255 28.201 27.740 -1.324 0.000 2.686 231 C HN 0.340 nan 8.230 nan 0.000 0.609 232 P HA -0.095 nan 4.420 nan 0.000 0.219 232 P C 1.117 178.285 177.300 -0.220 0.000 1.146 232 P CA 1.655 64.535 63.100 -0.365 0.000 0.808 232 P CB -0.123 31.410 31.700 -0.279 0.000 0.779 233 W N -1.706 119.494 121.300 -0.168 0.000 3.278 233 W HA 0.629 5.291 4.660 0.003 0.000 0.308 233 W C 0.739 177.338 176.519 0.134 0.000 1.253 233 W CA 0.266 57.603 57.345 -0.013 0.000 1.759 233 W CB -0.935 28.530 29.460 0.007 0.000 1.093 233 W HN -0.108 nan 8.180 nan 0.000 0.648 234 A N 1.253 123.798 122.820 -0.458 0.000 2.267 234 A HA 0.276 4.598 4.320 0.003 0.000 0.213 234 A C 0.812 178.260 177.584 -0.227 0.000 1.192 234 A CA 0.806 52.645 52.037 -0.331 0.000 0.851 234 A CB -0.415 18.111 19.000 -0.791 0.000 0.881 234 A HN 0.172 nan 8.150 nan 0.000 0.494 235 S N -1.220 114.346 115.700 -0.222 0.000 2.547 235 S HA 0.601 5.073 4.470 0.003 0.000 0.270 235 S C -0.837 173.671 174.600 -0.154 0.000 1.150 235 S CA -0.073 57.992 58.200 -0.223 0.000 0.850 235 S CB 1.234 64.240 63.200 -0.324 0.000 1.118 235 S HN 1.334 nan 8.310 nan 0.000 0.461 236 V N -0.251 119.591 119.914 -0.119 0.000 2.960 236 V HA 0.946 5.068 4.120 0.003 0.000 0.315 236 V C 0.277 176.316 176.094 -0.091 0.000 1.087 236 V CA -0.301 61.945 62.300 -0.090 0.000 0.982 236 V CB 1.322 33.108 31.823 -0.061 0.000 1.039 236 V HN 1.533 nan 8.190 nan 0.000 0.437 237 S N 1.862 117.510 115.700 -0.087 0.000 2.584 237 S HA 0.230 4.701 4.470 0.003 0.000 0.270 237 S C 1.293 175.844 174.600 -0.082 0.000 1.346 237 S CA 0.053 58.201 58.200 -0.087 0.000 1.018 237 S CB 1.218 64.373 63.200 -0.075 0.000 0.899 237 S HN 2.146 nan 8.310 nan 0.000 0.542 238 V N -0.472 119.374 119.914 -0.113 0.000 2.626 238 V HA 0.046 4.168 4.120 0.003 0.000 0.252 238 V C 2.508 178.566 176.094 -0.060 0.000 1.067 238 V CA 1.584 63.811 62.300 -0.122 0.000 1.081 238 V CB -1.977 29.660 31.823 -0.310 0.000 0.686 238 V HN 1.024 nan 8.190 nan 0.000 0.468 239 A N 0.220 123.006 122.820 -0.057 0.000 1.858 239 A HA -0.209 4.112 4.320 0.003 0.000 0.216 239 A C 2.275 179.839 177.584 -0.032 0.000 1.190 239 A CA 1.931 53.949 52.037 -0.033 0.000 0.617 239 A CB -0.810 18.170 19.000 -0.033 0.000 0.827 239 A HN 0.516 nan 8.150 nan 0.000 0.443 240 E N -0.104 120.068 120.200 -0.047 0.000 2.130 240 E HA -0.157 4.195 4.350 0.003 0.000 0.196 240 E C 2.098 178.674 176.600 -0.040 0.000 0.998 240 E CA 1.326 57.691 56.400 -0.057 0.000 0.806 240 E CB -0.750 28.906 29.700 -0.073 0.000 0.738 240 E HN 0.527 nan 8.360 nan 0.000 0.459 241 G N 0.487 109.276 108.800 -0.018 0.000 2.422 241 G HA2 -0.264 3.698 3.960 0.003 0.000 0.218 241 G HA3 -0.264 3.698 3.960 0.003 0.000 0.218 241 G C 1.759 176.682 174.900 0.038 0.000 1.140 241 G CA 0.693 45.810 45.100 0.027 0.000 0.775 241 G HN 0.239 nan 8.290 nan 0.000 0.545 242 R N 0.198 120.708 120.500 0.016 0.000 2.066 242 R HA 0.026 4.368 4.340 0.003 0.000 0.232 242 R C 2.553 178.857 176.300 0.007 0.000 1.131 242 R CA 1.130 57.239 56.100 0.016 0.000 0.955 242 R CB -0.350 29.960 30.300 0.017 0.000 0.851 242 R HN 0.260 nan 8.270 nan 0.000 0.432 243 R N 0.735 121.230 120.500 -0.008 0.000 2.113 243 R HA -0.171 4.171 4.340 0.003 0.000 0.231 243 R C 2.219 178.510 176.300 -0.015 0.000 1.129 243 R CA 2.201 58.288 56.100 -0.022 0.000 0.915 243 R CB -0.287 29.985 30.300 -0.045 0.000 0.837 243 R HN 0.282 nan 8.270 nan 0.000 0.430 244 R N -0.064 120.422 120.500 -0.022 0.000 2.170 244 R HA -0.129 4.212 4.340 0.003 0.000 0.242 244 R C 2.238 178.608 176.300 0.117 0.000 1.145 244 R CA 1.194 57.287 56.100 -0.011 0.000 0.984 244 R CB -0.359 29.875 30.300 -0.110 0.000 0.869 244 R HN 0.332 nan 8.270 nan 0.000 0.455 245 A N 1.063 123.948 122.820 0.108 0.000 1.873 245 A HA -0.111 4.211 4.320 0.003 0.000 0.215 245 A C 2.357 179.941 177.584 -0.001 0.000 1.186 245 A CA 1.529 53.602 52.037 0.060 0.000 0.616 245 A CB -0.611 18.380 19.000 -0.016 0.000 0.823 245 A HN 0.250 nan 8.150 nan 0.000 0.442 246 V N -0.941 118.971 119.914 -0.002 0.000 2.453 246 V HA -0.124 3.998 4.120 0.003 0.000 0.247 246 V C 2.113 178.206 176.094 -0.001 0.000 1.048 246 V CA 2.816 65.109 62.300 -0.012 0.000 1.049 246 V CB -0.570 31.247 31.823 -0.010 0.000 0.672 246 V HN 0.463 nan 8.190 nan 0.000 0.457 247 E N 0.530 120.734 120.200 0.006 0.000 2.085 247 E HA -0.211 4.141 4.350 0.003 0.000 0.194 247 E C 1.937 178.549 176.600 0.020 0.000 0.994 247 E CA 2.020 58.423 56.400 0.006 0.000 0.801 247 E CB -0.676 29.019 29.700 -0.009 0.000 0.743 247 E HN 0.691 nan 8.360 nan 0.000 0.453 248 L N -0.293 120.960 121.223 0.049 0.000 2.046 248 L HA -0.025 4.317 4.340 0.003 0.000 0.208 248 L C 2.148 179.026 176.870 0.013 0.000 1.077 248 L CA 2.309 57.187 54.840 0.063 0.000 0.747 248 L CB -0.958 41.181 42.059 0.134 0.000 0.896 248 L HN 0.218 nan 8.230 nan 0.000 0.432 249 G N -0.669 108.126 108.800 -0.008 0.000 2.505 249 G HA2 -0.325 3.637 3.960 0.003 0.000 0.220 249 G HA3 -0.325 3.637 3.960 0.003 0.000 0.220 249 G C 1.791 176.690 174.900 -0.001 0.000 1.145 249 G CA 1.041 46.131 45.100 -0.017 0.000 0.761 249 G HN 0.396 nan 8.290 nan 0.000 0.571 250 R N 0.067 120.570 120.500 0.005 0.000 2.061 250 R HA -0.017 4.325 4.340 0.003 0.000 0.230 250 R C 2.376 178.686 176.300 0.015 0.000 1.140 250 R CA 1.084 57.190 56.100 0.010 0.000 0.940 250 R CB -0.447 29.858 30.300 0.010 0.000 0.839 250 R HN 0.319 nan 8.270 nan 0.000 0.429 251 N N 0.697 119.409 118.700 0.020 0.000 2.503 251 N HA -0.163 4.579 4.740 0.003 0.000 0.189 251 N C 0.962 176.488 175.510 0.028 0.000 1.048 251 N CA 0.963 54.030 53.050 0.028 0.000 0.905 251 N CB 0.100 38.609 38.487 0.036 0.000 0.951 251 N HN 0.283 nan 8.380 nan 0.000 0.446 252 L N 0.079 121.314 121.223 0.021 0.000 3.069 252 L HA 0.189 4.531 4.340 0.003 0.000 0.271 252 L C -0.371 176.508 176.870 0.015 0.000 1.201 252 L CA -0.252 54.600 54.840 0.020 0.000 1.015 252 L CB 0.095 42.164 42.059 0.018 0.000 1.371 252 L HN -0.028 nan 8.230 nan 0.000 0.574 253 N N 0.637 119.345 118.700 0.014 0.000 2.667 253 N HA -0.171 4.570 4.740 0.003 0.000 0.263 253 N C -0.405 175.112 175.510 0.010 0.000 1.038 253 N CA 0.585 53.643 53.050 0.013 0.000 0.749 253 N CB -1.516 36.980 38.487 0.015 0.000 0.892 253 N HN 0.268 nan 8.380 nan 0.000 0.546 254 c N 0.809 119.414 118.600 0.008 0.000 2.399 254 c HA 0.351 4.923 4.570 0.003 0.000 0.348 254 c C 1.209 175.307 174.090 0.013 0.000 1.183 254 c CA -0.980 55.354 56.329 0.008 0.000 2.023 254 c CB 1.510 44.021 42.510 0.002 0.000 2.361 254 c HN 0.532 nan 8.230 nan 0.000 0.521 255 N N 1.932 120.644 118.700 0.020 0.000 2.405 255 N HA 0.141 4.882 4.740 0.003 0.000 0.260 255 N C -0.027 175.495 175.510 0.020 0.000 1.152 255 N CA 0.054 53.119 53.050 0.025 0.000 0.948 255 N CB 0.148 38.658 38.487 0.038 0.000 1.111 255 N HN 0.624 nan 8.380 nan 0.000 0.485 256 L N 2.323 123.554 121.223 0.013 0.000 2.783 256 L HA 0.128 4.470 4.340 0.003 0.000 0.236 256 L C 1.916 178.792 176.870 0.009 0.000 1.225 256 L CA 0.032 54.877 54.840 0.008 0.000 1.026 256 L CB -1.314 40.748 42.059 0.005 0.000 1.314 256 L HN 0.673 nan 8.230 nan 0.000 0.489 257 N N 0.538 119.246 118.700 0.014 0.000 2.173 257 N HA -0.078 4.664 4.740 0.003 0.000 0.184 257 N C 1.038 176.554 175.510 0.010 0.000 1.025 257 N CA 1.187 54.244 53.050 0.012 0.000 0.852 257 N CB 0.177 38.672 38.487 0.014 0.000 0.998 257 N HN 0.418 nan 8.380 nan 0.000 0.427 258 S N -1.578 114.130 115.700 0.012 0.000 2.568 258 S HA 0.454 4.926 4.470 0.003 0.000 0.293 258 S C -0.459 174.146 174.600 0.009 0.000 1.089 258 S CA -0.408 57.798 58.200 0.009 0.000 0.945 258 S CB 1.905 65.111 63.200 0.010 0.000 1.077 258 S HN 0.204 nan 8.310 nan 0.000 0.485 259 D N 1.567 121.969 120.400 0.003 0.000 2.158 259 D HA -0.055 4.587 4.640 0.003 0.000 0.197 259 D C 2.287 178.593 176.300 0.010 0.000 0.995 259 D CA 2.120 56.118 54.000 -0.004 0.000 0.846 259 D CB -0.645 40.149 40.800 -0.009 0.000 0.941 259 D HN 0.895 nan 8.370 nan 0.000 0.456 260 E N 1.577 121.788 120.200 0.017 0.000 2.077 260 E HA -0.205 4.146 4.350 0.003 0.000 0.193 260 E C 1.946 178.582 176.600 0.060 0.000 0.989 260 E CA 1.173 57.591 56.400 0.029 0.000 0.800 260 E CB -0.555 29.151 29.700 0.010 0.000 0.746 260 E HN 0.228 nan 8.360 nan 0.000 0.452 261 E N 0.037 120.267 120.200 0.051 0.000 2.028 261 E HA -0.066 4.286 4.350 0.003 0.000 0.191 261 E C 2.337 178.993 176.600 0.093 0.000 0.988 261 E CA 0.870 57.317 56.400 0.078 0.000 0.799 261 E CB -0.428 29.300 29.700 0.047 0.000 0.755 261 E HN 0.547 nan 8.360 nan 0.000 0.447 262 L N 0.738 121.989 121.223 0.046 0.000 1.955 262 L HA -0.195 4.147 4.340 0.003 0.000 0.213 262 L C 2.506 179.392 176.870 0.026 0.000 1.072 262 L CA 1.297 56.146 54.840 0.016 0.000 0.755 262 L CB -0.308 41.738 42.059 -0.020 0.000 0.888 262 L HN 0.099 nan 8.230 nan 0.000 0.432 263 I N -0.943 119.646 120.570 0.032 0.000 2.423 263 I HA -0.385 3.787 4.170 0.003 0.000 0.254 263 I C 2.473 178.705 176.117 0.192 0.000 1.151 263 I CA 1.342 62.687 61.300 0.075 0.000 1.421 263 I CB -0.600 37.448 38.000 0.080 0.000 1.079 263 I HN 0.456 nan 8.210 nan 0.000 0.431 264 H N -0.003 119.105 119.070 0.064 0.000 2.321 264 H HA -0.252 4.306 4.556 0.003 0.000 0.300 264 H C 2.539 177.913 175.328 0.077 0.000 1.087 264 H CA 1.929 58.018 56.048 0.068 0.000 1.319 264 H CB 0.098 29.886 29.762 0.043 0.000 1.379 264 H HN 0.500 nan 8.280 nan 0.000 0.501 265 c N 1.068 119.656 118.600 -0.021 0.000 2.413 265 c HA -0.159 4.413 4.570 0.003 0.000 0.278 265 c C 2.942 177.019 174.090 -0.020 0.000 1.224 265 c CA 1.139 57.416 56.329 -0.087 0.000 1.732 265 c CB -1.340 41.160 42.510 -0.017 0.000 2.050 265 c HN 0.586 nan 8.230 nan 0.000 0.463 266 L N 0.345 121.604 121.223 0.061 0.000 2.079 266 L HA -0.138 4.204 4.340 0.003 0.000 0.210 266 L C 2.991 180.018 176.870 0.262 0.000 1.081 266 L CA 1.527 56.460 54.840 0.155 0.000 0.752 266 L CB -0.893 41.215 42.059 0.082 0.000 0.896 266 L HN 0.395 nan 8.230 nan 0.000 0.433 267 R N 0.094 120.753 120.500 0.265 0.000 2.152 267 R HA -0.136 4.206 4.340 0.003 0.000 0.232 267 R C 2.097 178.430 176.300 0.054 0.000 1.117 267 R CA 1.599 57.800 56.100 0.169 0.000 0.981 267 R CB -0.183 30.228 30.300 0.186 0.000 0.870 267 R HN 0.509 nan 8.270 nan 0.000 0.451 268 E N 0.325 120.523 120.200 -0.003 0.000 2.481 268 E HA 0.056 4.408 4.350 0.003 0.000 0.198 268 E C -0.058 176.545 176.600 0.004 0.000 1.027 268 E CA -0.109 56.271 56.400 -0.034 0.000 0.900 268 E CB 0.016 29.636 29.700 -0.134 0.000 0.993 268 E HN -0.026 nan 8.360 nan 0.000 0.482 269 K N 1.278 121.703 120.400 0.042 0.000 2.237 269 K HA 0.332 4.654 4.320 0.003 0.000 0.270 269 K C 0.056 176.710 176.600 0.089 0.000 1.015 269 K CA -0.457 55.865 56.287 0.059 0.000 0.949 269 K CB 1.208 33.751 32.500 0.072 0.000 0.976 269 K HN 0.026 nan 8.250 nan 0.000 0.472 270 K N 2.666 123.112 120.400 0.077 0.000 2.319 270 K HA 0.052 4.374 4.320 0.003 0.000 0.265 270 K C -1.532 175.160 176.600 0.153 0.000 1.000 270 K CA -1.131 55.206 56.287 0.084 0.000 0.943 270 K CB 0.214 32.748 32.500 0.057 0.000 0.950 270 K HN 0.443 nan 8.250 nan 0.000 0.485 271 P HA -0.238 nan 4.420 nan 0.000 0.216 271 P C 1.337 178.858 177.300 0.369 0.000 1.157 271 P CA 1.384 64.696 63.100 0.353 0.000 0.880 271 P CB 0.153 31.881 31.700 0.047 0.000 0.791 272 Q N 0.227 120.148 119.800 0.202 0.000 2.226 272 Q HA -0.180 4.161 4.340 0.003 0.000 0.204 272 Q C 1.945 178.037 176.000 0.153 0.000 0.975 272 Q CA 1.589 57.491 55.803 0.165 0.000 0.866 272 Q CB -0.784 28.016 28.738 0.103 0.000 0.915 272 Q HN 0.367 nan 8.270 nan 0.000 0.440 273 E N -0.621 119.662 120.200 0.139 0.000 2.150 273 E HA -0.139 4.213 4.350 0.003 0.000 0.193 273 E C 1.670 178.331 176.600 0.101 0.000 0.985 273 E CA 0.756 57.219 56.400 0.106 0.000 0.814 273 E CB -0.007 29.743 29.700 0.083 0.000 0.752 273 E HN 0.329 nan 8.360 nan 0.000 0.466 274 L N 0.781 122.070 121.223 0.109 0.000 2.044 274 L HA -0.128 4.214 4.340 0.003 0.000 0.205 274 L C 2.490 179.401 176.870 0.069 0.000 1.075 274 L CA 1.284 56.135 54.840 0.018 0.000 0.747 274 L CB -0.931 41.016 42.059 -0.188 0.000 0.903 274 L HN 0.200 nan 8.230 nan 0.000 0.435 275 I N 0.171 120.837 120.570 0.160 0.000 2.118 275 I HA -0.355 3.817 4.170 0.003 0.000 0.241 275 I C 2.284 178.533 176.117 0.220 0.000 1.070 275 I CA 1.468 62.902 61.300 0.222 0.000 1.327 275 I CB -0.601 37.567 38.000 0.280 0.000 1.034 275 I HN 0.255 nan 8.210 nan 0.000 0.405 276 D N 0.830 121.343 120.400 0.188 0.000 2.126 276 D HA -0.169 4.473 4.640 0.003 0.000 0.190 276 D C 2.085 178.487 176.300 0.169 0.000 1.001 276 D CA 2.071 56.179 54.000 0.180 0.000 0.841 276 D CB -0.381 40.496 40.800 0.129 0.000 0.949 276 D HN 0.418 nan 8.370 nan 0.000 0.446 277 V N -1.831 118.153 119.914 0.117 0.000 3.649 277 V HA 0.118 4.240 4.120 0.003 0.000 0.275 277 V C 1.844 177.971 176.094 0.055 0.000 1.281 277 V CA 0.507 62.865 62.300 0.096 0.000 1.143 277 V CB -0.030 31.836 31.823 0.071 0.000 0.892 277 V HN 0.020 nan 8.190 nan 0.000 0.441 278 E N 0.548 120.742 120.200 -0.010 0.000 2.169 278 E HA -0.276 4.076 4.350 0.003 0.000 0.202 278 E C 1.545 177.848 176.600 -0.494 0.000 1.016 278 E CA 2.591 58.863 56.400 -0.213 0.000 0.817 278 E CB -0.179 29.286 29.700 -0.392 0.000 0.736 278 E HN 0.894 nan 8.360 nan 0.000 0.462 279 W N 0.044 121.334 121.300 -0.016 0.000 3.047 279 W HA 0.052 4.713 4.660 0.002 0.000 0.250 279 W C 1.381 177.860 176.519 -0.068 0.000 1.314 279 W CA -0.472 56.821 57.345 -0.087 0.000 1.540 279 W CB 0.252 29.652 29.460 -0.100 0.000 1.127 279 W HN 0.008 nan 8.180 nan 0.000 0.679 280 N N 0.055 118.825 118.700 0.117 0.000 2.398 280 N HA -0.065 4.677 4.740 0.003 0.000 0.188 280 N C 1.613 177.129 175.510 0.010 0.000 1.122 280 N CA 0.993 54.086 53.050 0.073 0.000 0.866 280 N CB -0.196 38.332 38.487 0.067 0.000 0.970 280 N HN 0.217 nan 8.380 nan 0.000 0.462 281 V N -3.011 116.869 119.914 -0.055 0.000 3.644 281 V HA 0.256 4.378 4.120 0.003 0.000 0.267 281 V C 0.712 176.725 176.094 -0.134 0.000 1.277 281 V CA -0.274 61.967 62.300 -0.099 0.000 1.096 281 V CB -0.307 31.432 31.823 -0.141 0.000 0.828 281 V HN -0.124 nan 8.190 nan 0.000 0.446 282 L N 3.008 124.164 121.223 -0.110 0.000 2.506 282 L HA 0.244 4.586 4.340 0.003 0.000 0.281 282 L C -0.429 176.360 176.870 -0.135 0.000 1.228 282 L CA -0.841 53.933 54.840 -0.109 0.000 0.850 282 L CB 0.168 42.225 42.059 -0.002 0.000 1.110 282 L HN 0.196 nan 8.230 nan 0.000 0.496 283 P HA 0.016 nan 4.420 nan 0.000 0.245 283 P C -0.344 176.735 177.300 -0.368 0.000 1.206 283 P CA 0.761 63.601 63.100 -0.433 0.000 0.781 283 P CB 0.446 31.647 31.700 -0.832 0.000 0.994 284 F N -0.344 119.606 119.950 -0.001 0.000 2.824 284 F HA 0.434 4.962 4.527 0.001 0.000 0.330 284 F C -0.170 175.624 175.800 -0.011 0.000 1.175 284 F CA -2.058 55.940 58.000 -0.004 0.000 0.974 284 F CB -0.067 38.932 39.000 -0.002 0.000 1.430 284 F HN -0.362 nan 8.300 nan 0.000 0.507 285 D N 0.626 121.162 120.400 0.226 0.000 2.349 285 D HA 0.559 5.201 4.640 0.003 0.000 0.232 285 D C -1.158 175.175 176.300 0.056 0.000 1.071 285 D CA 0.073 54.123 54.000 0.083 0.000 0.832 285 D CB 0.875 41.705 40.800 0.049 0.000 1.086 285 D HN 0.594 nan 8.370 nan 0.000 0.504 286 S N 3.202 118.922 115.700 0.034 0.000 2.565 286 S HA 0.489 4.961 4.470 0.003 0.000 0.269 286 S C -0.913 173.661 174.600 -0.043 0.000 1.153 286 S CA -1.072 57.132 58.200 0.007 0.000 0.835 286 S CB 0.911 64.155 63.200 0.074 0.000 1.122 286 S HN 0.496 nan 8.310 nan 0.000 0.462 287 I N 1.559 122.102 120.570 -0.044 0.000 2.562 287 I HA 0.602 4.774 4.170 0.003 0.000 0.301 287 I C -0.791 175.285 176.117 -0.068 0.000 1.003 287 I CA -0.712 60.551 61.300 -0.062 0.000 1.127 287 I CB 1.114 39.101 38.000 -0.021 0.000 1.304 287 I HN 0.927 nan 8.210 nan 0.000 0.446 288 F N 5.061 124.749 119.950 -0.437 0.000 2.985 288 F HA -0.216 4.313 4.527 0.003 0.000 0.303 288 F C -0.532 174.799 175.800 -0.780 0.000 0.976 288 F CA 0.525 58.024 58.000 -0.834 0.000 1.013 288 F CB -0.883 37.597 39.000 -0.866 0.000 1.060 288 F HN 0.579 nan 8.300 nan 0.000 0.780 289 R N 0.630 120.763 120.500 -0.610 0.000 2.574 289 R HA 0.690 5.032 4.340 0.003 0.000 0.288 289 R C -1.123 174.914 176.300 -0.438 0.000 1.004 289 R CA -0.399 55.511 56.100 -0.318 0.000 0.895 289 R CB 1.156 31.431 30.300 -0.041 0.000 1.191 289 R HN -0.001 nan 8.270 nan 0.000 0.444 290 F N 0.210 120.334 119.950 0.291 0.000 2.538 290 F HA 0.410 4.939 4.527 0.004 0.000 0.325 290 F C 1.271 177.101 175.800 0.050 0.000 1.066 290 F CA -0.720 57.468 58.000 0.313 0.000 0.946 290 F CB 2.169 41.436 39.000 0.445 0.000 1.199 290 F HN 0.446 nan 8.300 nan 0.000 0.473 291 S N 0.299 115.957 115.700 -0.070 0.000 2.335 291 S HA 0.038 4.510 4.470 0.003 0.000 0.217 291 S C -0.000 174.229 174.600 -0.619 0.000 1.032 291 S CA 0.926 58.806 58.200 -0.534 0.000 0.985 291 S CB -0.187 62.403 63.200 -1.016 0.000 0.896 291 S HN 0.309 nan 8.310 nan 0.000 0.445 292 F N 1.234 121.159 119.950 -0.041 0.000 2.361 292 F HA 0.697 5.226 4.527 0.003 0.000 0.364 292 F C 0.039 175.767 175.800 -0.119 0.000 1.120 292 F CA -0.745 57.240 58.000 -0.026 0.000 1.102 292 F CB 0.915 39.926 39.000 0.018 0.000 1.183 292 F HN -0.112 nan 8.300 nan 0.000 0.476 293 V N 4.291 124.203 119.914 -0.004 0.000 3.182 293 V HA 0.568 4.690 4.120 0.003 0.000 0.308 293 V C -2.370 173.570 176.094 -0.257 0.000 1.240 293 V CA -2.850 59.200 62.300 -0.417 0.000 1.063 293 V CB 3.097 34.884 31.823 -0.061 0.000 1.076 293 V HN 0.345 nan 8.190 nan 0.000 0.446 294 P HA 0.064 nan 4.420 nan 0.000 0.262 294 P C -1.049 176.212 177.300 -0.066 0.000 1.182 294 P CA 0.520 63.556 63.100 -0.108 0.000 0.761 294 P CB 0.366 31.951 31.700 -0.192 0.000 0.795 295 V N 5.615 125.539 119.914 0.016 0.000 2.539 295 V HA 0.215 4.337 4.120 0.003 0.000 0.292 295 V C 0.353 176.476 176.094 0.049 0.000 1.045 295 V CA -0.631 61.671 62.300 0.004 0.000 0.945 295 V CB 1.007 32.848 31.823 0.030 0.000 0.993 295 V HN 0.338 nan 8.190 nan 0.000 0.464 296 I N 6.245 126.804 120.570 -0.018 0.000 2.227 296 I HA 0.160 4.332 4.170 0.003 0.000 0.297 296 I C 0.965 177.100 176.117 0.030 0.000 1.173 296 I CA -0.045 61.273 61.300 0.029 0.000 1.356 296 I CB -0.095 37.845 38.000 -0.099 0.000 1.485 296 I HN 0.756 nan 8.210 nan 0.000 0.604 297 D N 2.808 123.268 120.400 0.100 0.000 2.277 297 D HA -0.015 4.627 4.640 0.003 0.000 0.208 297 D C 1.537 177.898 176.300 0.102 0.000 0.962 297 D CA 1.050 55.057 54.000 0.011 0.000 0.865 297 D CB 0.243 41.159 40.800 0.193 0.000 0.939 297 D HN 0.603 nan 8.370 nan 0.000 0.510 298 G N -0.892 108.005 108.800 0.162 0.000 2.176 298 G HA2 -0.333 3.629 3.960 0.003 0.000 0.232 298 G HA3 -0.333 3.629 3.960 0.003 0.000 0.232 298 G C 0.768 175.752 174.900 0.140 0.000 0.986 298 G CA 0.674 45.860 45.100 0.143 0.000 0.643 298 G HN 0.467 nan 8.290 nan 0.000 0.522 299 E N -0.879 119.418 120.200 0.163 0.000 2.329 299 E HA 0.404 4.756 4.350 0.003 0.000 0.189 299 E C 1.927 178.568 176.600 0.068 0.000 0.997 299 E CA 0.775 57.240 56.400 0.109 0.000 1.062 299 E CB -0.528 29.249 29.700 0.128 0.000 1.260 299 E HN 0.588 nan 8.360 nan 0.000 0.490 300 F N 0.452 120.350 119.950 -0.088 0.000 2.202 300 F HA 0.135 4.664 4.527 0.003 0.000 0.301 300 F C 0.263 175.747 175.800 -0.527 0.000 1.082 300 F CA 1.236 59.032 58.000 -0.340 0.000 1.313 300 F CB 0.165 38.904 39.000 -0.435 0.000 1.024 300 F HN 0.139 nan 8.300 nan 0.000 0.495 301 F N -0.448 119.635 119.950 0.222 0.000 2.499 301 F HA 0.345 4.874 4.527 0.004 0.000 0.333 301 F C -1.712 174.137 175.800 0.081 0.000 1.138 301 F CA -2.412 55.670 58.000 0.137 0.000 0.945 301 F CB 1.019 40.104 39.000 0.142 0.000 1.181 301 F HN -0.305 nan 8.300 nan 0.000 0.435 302 P HA -0.068 nan 4.420 nan 0.000 0.215 302 P C 0.003 177.371 177.300 0.113 0.000 1.157 302 P CA 1.726 64.893 63.100 0.112 0.000 0.868 302 P CB 0.275 32.017 31.700 0.070 0.000 0.788 303 T N -3.575 111.056 114.554 0.129 0.000 2.626 303 T HA 0.339 4.691 4.350 0.003 0.000 0.279 303 T C -0.453 174.302 174.700 0.091 0.000 0.983 303 T CA -0.740 61.414 62.100 0.090 0.000 1.059 303 T CB 0.520 69.424 68.868 0.061 0.000 1.396 303 T HN -0.099 nan 8.240 nan 0.000 0.519 304 S N 0.619 116.345 115.700 0.044 0.000 2.537 304 S HA 0.077 4.548 4.470 0.003 0.000 0.286 304 S C 1.160 175.770 174.600 0.017 0.000 1.299 304 S CA -0.543 57.659 58.200 0.003 0.000 1.067 304 S CB -0.169 63.029 63.200 -0.002 0.000 0.864 304 S HN 0.496 nan 8.310 nan 0.000 0.494 305 L N 2.691 123.889 121.223 -0.042 0.000 2.129 305 L HA -0.051 4.290 4.340 0.003 0.000 0.212 305 L C 2.704 179.616 176.870 0.070 0.000 1.087 305 L CA 1.996 56.831 54.840 -0.009 0.000 0.757 305 L CB -1.198 40.776 42.059 -0.140 0.000 0.896 305 L HN 0.868 nan 8.230 nan 0.000 0.434 306 E N -0.665 119.565 120.200 0.050 0.000 2.072 306 E HA -0.137 4.215 4.350 0.003 0.000 0.190 306 E C 2.364 179.030 176.600 0.109 0.000 0.982 306 E CA 1.343 57.803 56.400 0.101 0.000 0.803 306 E CB -0.131 29.610 29.700 0.067 0.000 0.755 306 E HN 0.557 nan 8.360 nan 0.000 0.453 307 S N -0.224 115.520 115.700 0.074 0.000 2.368 307 S HA -0.196 4.276 4.470 0.003 0.000 0.225 307 S C 2.151 176.799 174.600 0.082 0.000 1.030 307 S CA 1.306 59.547 58.200 0.068 0.000 0.999 307 S CB -0.413 62.815 63.200 0.047 0.000 0.844 307 S HN 0.198 nan 8.310 nan 0.000 0.459 308 M N 0.690 120.353 119.600 0.105 0.000 2.126 308 M HA -0.080 4.402 4.480 0.003 0.000 0.259 308 M C 2.181 178.603 176.300 0.203 0.000 1.073 308 M CA 1.583 56.968 55.300 0.143 0.000 1.103 308 M CB -0.790 31.927 32.600 0.196 0.000 1.284 308 M HN 0.268 nan 8.290 nan 0.000 0.420 309 L N 0.694 122.073 121.223 0.260 0.000 2.089 309 L HA -0.267 4.074 4.340 0.003 0.000 0.213 309 L C 2.114 179.152 176.870 0.279 0.000 1.079 309 L CA 1.805 56.831 54.840 0.312 0.000 0.758 309 L CB -1.247 40.925 42.059 0.190 0.000 0.891 309 L HN 0.375 nan 8.230 nan 0.000 0.433 310 N N -0.830 117.982 118.700 0.187 0.000 2.120 310 N HA -0.159 4.583 4.740 0.003 0.000 0.188 310 N C 1.773 177.368 175.510 0.142 0.000 1.024 310 N CA 1.471 54.621 53.050 0.168 0.000 0.852 310 N CB -0.061 38.505 38.487 0.132 0.000 1.003 310 N HN 0.465 nan 8.380 nan 0.000 0.424 311 S N -1.904 113.800 115.700 0.008 0.000 2.556 311 S HA 0.298 4.770 4.470 0.003 0.000 0.216 311 S C 1.268 175.496 174.600 -0.620 0.000 0.970 311 S CA 0.302 58.417 58.200 -0.142 0.000 0.912 311 S CB 0.042 63.183 63.200 -0.097 0.000 0.790 311 S HN 0.449 nan 8.310 nan 0.000 0.504 312 G N 2.324 110.495 108.800 -1.048 0.000 2.153 312 G HA2 -0.315 3.647 3.960 0.003 0.000 0.252 312 G HA3 -0.315 3.647 3.960 0.003 0.000 0.252 312 G C 0.125 174.088 174.900 -1.562 0.000 0.994 312 G CA 0.128 43.881 45.100 -2.245 0.000 0.698 312 G HN 0.638 nan 8.290 nan 0.000 0.521 313 N N 0.605 118.866 118.700 -0.731 0.000 3.027 313 N HA 0.423 5.164 4.740 0.003 0.000 0.309 313 N C -0.091 175.341 175.510 -0.130 0.000 1.222 313 N CA 0.303 53.141 53.050 -0.354 0.000 1.187 313 N CB -1.128 37.285 38.487 -0.125 0.000 1.458 313 N HN 0.837 nan 8.380 nan 0.000 0.535 314 F N -1.422 118.477 119.950 -0.084 0.000 2.770 314 F HA 0.380 4.908 4.527 0.003 0.000 0.313 314 F C -0.376 175.458 175.800 0.057 0.000 1.154 314 F CA -1.580 56.449 58.000 0.048 0.000 0.923 314 F CB 0.431 39.529 39.000 0.164 0.000 1.301 314 F HN -0.104 nan 8.300 nan 0.000 0.449 315 K N 2.357 123.038 120.400 0.469 0.000 2.491 315 K HA 0.125 4.446 4.320 0.003 0.000 0.279 315 K C -0.863 176.041 176.600 0.508 0.000 1.026 315 K CA -0.036 56.452 56.287 0.334 0.000 1.070 315 K CB 0.430 33.089 32.500 0.265 0.000 0.887 315 K HN 0.658 nan 8.250 nan 0.000 0.481 316 K N 4.053 124.612 120.400 0.265 0.000 2.389 316 K HA 0.178 4.500 4.320 0.003 0.000 0.261 316 K C -0.271 176.471 176.600 0.236 0.000 1.014 316 K CA -0.631 55.811 56.287 0.258 0.000 0.920 316 K CB 1.644 34.187 32.500 0.071 0.000 1.149 316 K HN 0.651 nan 8.250 nan 0.000 0.444 317 T N 0.813 115.585 114.554 0.364 0.000 2.565 317 T HA 0.250 4.601 4.350 0.003 0.000 0.266 317 T C -1.496 173.414 174.700 0.349 0.000 0.905 317 T CA -0.445 61.820 62.100 0.275 0.000 1.122 317 T CB 1.338 70.353 68.868 0.244 0.000 1.437 317 T HN 0.564 nan 8.240 nan 0.000 0.506 318 Q N 2.102 122.087 119.800 0.309 0.000 2.340 318 Q HA 0.579 4.921 4.340 0.003 0.000 0.268 318 Q C -0.827 175.476 176.000 0.505 0.000 1.031 318 Q CA -0.886 55.151 55.803 0.391 0.000 0.804 318 Q CB 1.688 30.635 28.738 0.348 0.000 1.286 318 Q HN 0.864 nan 8.270 nan 0.000 0.448 319 I N -0.355 120.460 120.570 0.408 0.000 2.603 319 I HA 0.687 4.858 4.170 0.003 0.000 0.300 319 I C -1.044 175.047 176.117 -0.042 0.000 1.017 319 I CA -1.416 60.019 61.300 0.225 0.000 1.098 319 I CB 2.124 40.107 38.000 -0.028 0.000 1.279 319 I HN 0.670 nan 8.210 nan 0.000 0.437 320 L N 7.274 128.196 121.223 -0.500 0.000 2.325 320 L HA 0.757 5.099 4.340 0.003 0.000 0.281 320 L C -1.160 175.546 176.870 -0.273 0.000 1.004 320 L CA -0.605 53.840 54.840 -0.660 0.000 0.823 320 L CB 1.499 42.605 42.059 -1.589 0.000 1.236 320 L HN 0.874 nan 8.230 nan 0.000 0.415 321 L N 3.057 124.266 121.223 -0.023 0.000 2.403 321 L HA 1.128 5.470 4.340 0.003 0.000 0.253 321 L C -0.738 176.098 176.870 -0.057 0.000 1.045 321 L CA -0.361 54.503 54.840 0.040 0.000 0.845 321 L CB 2.157 44.201 42.059 -0.025 0.000 1.447 321 L HN 0.692 nan 8.230 nan 0.000 0.411 322 G N 0.002 108.603 108.800 -0.332 0.000 2.322 322 G HA2 0.501 4.463 3.960 0.003 0.000 0.295 322 G HA3 0.501 4.463 3.960 0.003 0.000 0.295 322 G C -2.238 172.360 174.900 -0.504 0.000 1.369 322 G CA -0.275 44.268 45.100 -0.928 0.000 0.821 322 G HN 0.622 nan 8.290 nan 0.000 0.536 323 V N -0.157 119.528 119.914 -0.381 0.000 3.126 323 V HA 0.575 4.697 4.120 0.003 0.000 0.314 323 V C -0.052 176.047 176.094 0.008 0.000 1.138 323 V CA -0.988 61.276 62.300 -0.060 0.000 1.034 323 V CB 2.270 34.094 31.823 0.001 0.000 1.075 323 V HN 0.775 nan 8.190 nan 0.000 0.442 324 N N 0.665 119.407 118.700 0.070 0.000 2.443 324 N HA 0.323 5.065 4.740 0.003 0.000 0.293 324 N C 0.564 175.988 175.510 -0.142 0.000 1.159 324 N CA -0.717 52.369 53.050 0.060 0.000 0.904 324 N CB 1.663 40.294 38.487 0.242 0.000 1.214 324 N HN 0.557 nan 8.380 nan 0.000 0.513 325 K N 0.397 120.623 120.400 -0.290 0.000 2.057 325 K HA -0.058 4.264 4.320 0.003 0.000 0.206 325 K C -0.527 176.088 176.600 0.025 0.000 1.050 325 K CA 1.188 57.325 56.287 -0.251 0.000 0.935 325 K CB 0.190 32.530 32.500 -0.267 0.000 0.715 325 K HN 0.556 nan 8.250 nan 0.000 0.439 326 D N 1.471 121.902 120.400 0.052 0.000 2.483 326 D HA 0.061 4.703 4.640 0.003 0.000 0.281 326 D C 0.299 176.684 176.300 0.142 0.000 1.174 326 D CA -0.052 54.002 54.000 0.090 0.000 0.938 326 D CB 1.370 42.193 40.800 0.039 0.000 1.002 326 D HN 0.129 nan 8.370 nan 0.000 0.501 327 E N 0.459 120.768 120.200 0.181 0.000 2.158 327 E HA -0.061 4.291 4.350 0.003 0.000 0.191 327 E C 1.984 178.735 176.600 0.251 0.000 0.982 327 E CA 0.366 56.927 56.400 0.268 0.000 0.823 327 E CB 0.275 30.125 29.700 0.251 0.000 0.766 327 E HN 0.417 nan 8.360 nan 0.000 0.468 328 G N 1.655 110.563 108.800 0.181 0.000 2.402 328 G HA2 -0.255 3.706 3.960 0.003 0.000 0.216 328 G HA3 -0.255 3.706 3.960 0.003 0.000 0.216 328 G C 1.707 176.692 174.900 0.142 0.000 1.162 328 G CA 1.181 46.393 45.100 0.185 0.000 0.777 328 G HN 0.242 nan 8.290 nan 0.000 0.539 329 S N 1.214 116.920 115.700 0.011 0.000 2.433 329 S HA -0.361 4.110 4.470 0.003 0.000 0.276 329 S C 1.911 176.341 174.600 -0.283 0.000 1.122 329 S CA 1.867 59.962 58.200 -0.176 0.000 1.277 329 S CB -0.957 62.011 63.200 -0.387 0.000 1.198 329 S HN 0.244 nan 8.310 nan 0.000 0.440 330 F N 1.490 121.162 119.950 -0.463 0.000 2.111 330 F HA -0.156 4.373 4.527 0.003 0.000 0.300 330 F C 2.063 177.411 175.800 -0.753 0.000 1.088 330 F CA 1.468 59.025 58.000 -0.740 0.000 1.243 330 F CB -0.717 37.622 39.000 -1.102 0.000 0.996 330 F HN 0.155 nan 8.300 nan 0.000 0.483 331 F N -1.175 118.675 119.950 -0.166 0.000 2.293 331 F HA -0.090 4.439 4.527 0.004 0.000 0.297 331 F C 2.166 177.859 175.800 -0.179 0.000 1.089 331 F CA 0.572 58.414 58.000 -0.262 0.000 1.377 331 F CB -0.821 37.918 39.000 -0.435 0.000 1.051 331 F HN -0.111 nan 8.300 nan 0.000 0.511 332 L N -0.454 120.696 121.223 -0.122 0.000 1.982 332 L HA -0.182 4.160 4.340 0.003 0.000 0.206 332 L C 2.516 179.255 176.870 -0.218 0.000 1.078 332 L CA 0.942 55.529 54.840 -0.422 0.000 0.749 332 L CB -0.903 40.605 42.059 -0.917 0.000 0.894 332 L HN 0.117 nan 8.230 nan 0.000 0.436 333 L N -0.803 120.384 121.223 -0.060 0.000 2.077 333 L HA -0.391 3.951 4.340 0.003 0.000 0.231 333 L C 2.584 179.586 176.870 0.219 0.000 1.100 333 L CA 2.169 57.146 54.840 0.228 0.000 0.819 333 L CB -0.419 41.701 42.059 0.102 0.000 0.913 333 L HN 0.277 nan 8.230 nan 0.000 0.446 334 Y N -1.353 118.959 120.300 0.019 0.000 2.519 334 Y HA 0.064 4.615 4.550 0.003 0.000 0.287 334 Y C 2.131 178.015 175.900 -0.027 0.000 1.128 334 Y CA 0.789 58.904 58.100 0.025 0.000 1.282 334 Y CB -0.135 38.310 38.460 -0.024 0.000 1.027 334 Y HN 0.232 nan 8.280 nan 0.000 0.551 335 G N -1.214 107.654 108.800 0.113 0.000 2.728 335 G HA2 0.385 4.346 3.960 0.003 0.000 0.203 335 G HA3 0.385 4.346 3.960 0.003 0.000 0.203 335 G C 0.277 175.208 174.900 0.052 0.000 1.073 335 G CA 0.427 45.552 45.100 0.041 0.000 0.778 335 G HN 0.263 nan 8.290 nan 0.000 0.553 336 A N 1.715 124.591 122.820 0.092 0.000 2.306 336 A HA 0.719 5.040 4.320 0.003 0.000 0.314 336 A C -2.415 175.328 177.584 0.265 0.000 1.164 336 A CA -1.467 50.673 52.037 0.172 0.000 0.822 336 A CB 0.826 19.969 19.000 0.238 0.000 1.130 336 A HN 0.115 nan 8.150 nan 0.000 0.496 337 P HA 0.308 nan 4.420 nan 0.000 0.271 337 P C 0.712 178.036 177.300 0.039 0.000 1.226 337 P CA 1.147 64.301 63.100 0.090 0.000 0.765 337 P CB 1.193 32.915 31.700 0.038 0.000 0.835 338 G N 2.498 111.276 108.800 -0.036 0.000 2.316 338 G HA2 -0.173 3.789 3.960 0.003 0.000 0.203 338 G HA3 -0.173 3.789 3.960 0.003 0.000 0.203 338 G C -0.350 174.305 174.900 -0.408 0.000 0.999 338 G CA -0.584 44.361 45.100 -0.258 0.000 0.649 338 G HN 0.420 nan 8.290 nan 0.000 0.489 339 F N 2.454 122.330 119.950 -0.123 0.000 2.404 339 F HA 0.715 5.244 4.527 0.003 0.000 0.339 339 F C 0.622 176.415 175.800 -0.011 0.000 1.105 339 F CA -0.165 57.725 58.000 -0.185 0.000 1.087 339 F CB 2.240 41.217 39.000 -0.039 0.000 1.143 339 F HN 0.128 nan 8.300 nan 0.000 0.491 340 S N 1.653 117.475 115.700 0.204 0.000 2.550 340 S HA 0.304 4.776 4.470 0.003 0.000 0.270 340 S C 0.426 175.227 174.600 0.336 0.000 1.145 340 S CA -1.251 57.083 58.200 0.223 0.000 0.852 340 S CB 2.273 65.529 63.200 0.093 0.000 1.119 340 S HN 0.672 nan 8.310 nan 0.000 0.465 341 K N 0.456 121.004 120.400 0.247 0.000 2.057 341 K HA -0.101 4.221 4.320 0.003 0.000 0.207 341 K C -0.086 176.580 176.600 0.109 0.000 1.049 341 K CA 1.453 57.807 56.287 0.111 0.000 0.931 341 K CB -0.119 32.210 32.500 -0.285 0.000 0.714 341 K HN 0.554 nan 8.250 nan 0.000 0.440 342 D N 0.763 121.198 120.400 0.058 0.000 2.370 342 D HA 0.033 4.675 4.640 0.003 0.000 0.230 342 D C -0.382 175.944 176.300 0.044 0.000 1.143 342 D CA 0.174 54.188 54.000 0.025 0.000 0.834 342 D CB 0.507 41.292 40.800 -0.025 0.000 0.944 342 D HN 0.147 nan 8.370 nan 0.000 0.504 343 S N -1.925 113.814 115.700 0.065 0.000 2.579 343 S HA 0.205 4.676 4.470 0.003 0.000 0.272 343 S C 0.453 175.012 174.600 -0.069 0.000 1.141 343 S CA -0.767 57.426 58.200 -0.011 0.000 0.843 343 S CB 2.133 65.291 63.200 -0.069 0.000 1.122 343 S HN -0.162 nan 8.310 nan 0.000 0.468 344 E N 0.514 120.644 120.200 -0.116 0.000 2.520 344 E HA 0.137 4.488 4.350 0.003 0.000 0.201 344 E C 0.127 176.398 176.600 -0.547 0.000 1.122 344 E CA 0.430 56.710 56.400 -0.200 0.000 0.896 344 E CB -1.105 28.543 29.700 -0.087 0.000 0.891 344 E HN 0.795 nan 8.360 nan 0.000 0.533 345 S N 1.369 116.682 115.700 -0.645 0.000 3.243 345 S HA -0.243 4.229 4.470 0.003 0.000 0.333 345 S C 0.155 174.343 174.600 -0.685 0.000 0.913 345 S CA 0.634 58.360 58.200 -0.790 0.000 1.310 345 S CB -1.189 61.284 63.200 -1.212 0.000 0.894 345 S HN 0.470 nan 8.310 nan 0.000 0.498 346 K N 0.847 120.989 120.400 -0.429 0.000 2.339 346 K HA 0.331 4.653 4.320 0.003 0.000 0.286 346 K C -0.045 176.350 176.600 -0.342 0.000 1.050 346 K CA -0.427 55.673 56.287 -0.310 0.000 0.956 346 K CB 0.496 32.875 32.500 -0.201 0.000 0.990 346 K HN 0.146 nan 8.250 nan 0.000 0.475 347 I N 1.922 122.304 120.570 -0.313 0.000 2.412 347 I HA 0.060 4.232 4.170 0.003 0.000 0.296 347 I C 0.587 176.617 176.117 -0.146 0.000 0.987 347 I CA -0.656 60.476 61.300 -0.280 0.000 1.180 347 I CB 1.530 39.329 38.000 -0.334 0.000 1.340 347 I HN 0.561 nan 8.210 nan 0.000 0.455 348 S N 5.507 121.137 115.700 -0.116 0.000 2.580 348 S HA 0.357 4.829 4.470 0.003 0.000 0.274 348 S C 1.156 175.746 174.600 -0.016 0.000 1.329 348 S CA -0.577 57.579 58.200 -0.074 0.000 1.036 348 S CB 1.180 64.341 63.200 -0.064 0.000 0.919 348 S HN 0.436 nan 8.310 nan 0.000 0.515 349 R N 1.416 121.897 120.500 -0.031 0.000 2.117 349 R HA -0.067 4.275 4.340 0.003 0.000 0.243 349 R C 2.560 178.911 176.300 0.085 0.000 1.143 349 R CA 1.474 57.584 56.100 0.017 0.000 0.968 349 R CB -1.546 28.733 30.300 -0.035 0.000 0.863 349 R HN 0.872 nan 8.270 nan 0.000 0.444 350 E N 0.697 120.917 120.200 0.033 0.000 2.038 350 E HA -0.186 4.166 4.350 0.003 0.000 0.195 350 E C 1.484 178.111 176.600 0.045 0.000 1.000 350 E CA 1.767 58.187 56.400 0.033 0.000 0.803 350 E CB -0.291 29.413 29.700 0.007 0.000 0.750 350 E HN 0.402 nan 8.360 nan 0.000 0.448 351 D N -1.007 119.410 120.400 0.028 0.000 2.117 351 D HA -0.072 4.569 4.640 0.003 0.000 0.197 351 D C 1.751 178.097 176.300 0.076 0.000 0.987 351 D CA 1.220 55.230 54.000 0.017 0.000 0.829 351 D CB -0.568 40.197 40.800 -0.059 0.000 0.961 351 D HN 0.401 nan 8.370 nan 0.000 0.460 352 F N 1.144 121.067 119.950 -0.045 0.000 2.069 352 F HA -0.303 4.226 4.527 0.003 0.000 0.298 352 F C 2.662 178.464 175.800 0.003 0.000 1.113 352 F CA 1.512 59.502 58.000 -0.016 0.000 1.214 352 F CB -0.348 38.627 39.000 -0.042 0.000 0.978 352 F HN -0.159 nan 8.300 nan 0.000 0.474 353 M N -0.232 119.481 119.600 0.188 0.000 2.213 353 M HA -0.159 4.322 4.480 0.003 0.000 0.263 353 M C 2.348 178.633 176.300 -0.026 0.000 1.062 353 M CA 1.740 57.081 55.300 0.069 0.000 1.105 353 M CB -1.557 31.121 32.600 0.130 0.000 1.385 353 M HN 0.442 nan 8.290 nan 0.000 0.417 354 S N 0.094 115.787 115.700 -0.012 0.000 2.395 354 S HA 0.051 4.523 4.470 0.003 0.000 0.225 354 S C 2.254 176.822 174.600 -0.053 0.000 1.027 354 S CA 0.983 59.169 58.200 -0.024 0.000 0.965 354 S CB -1.094 62.104 63.200 -0.003 0.000 0.812 354 S HN 0.692 nan 8.310 nan 0.000 0.482 355 G N 2.459 111.221 108.800 -0.063 0.000 2.480 355 G HA2 -0.236 3.725 3.960 0.003 0.000 0.216 355 G HA3 -0.236 3.725 3.960 0.003 0.000 0.216 355 G C 1.669 176.471 174.900 -0.164 0.000 1.200 355 G CA 1.323 46.379 45.100 -0.073 0.000 0.782 355 G HN 0.564 nan 8.290 nan 0.000 0.554 356 V N 0.036 119.769 119.914 -0.302 0.000 2.469 356 V HA -0.076 4.045 4.120 0.003 0.000 0.251 356 V C 2.405 178.396 176.094 -0.171 0.000 1.064 356 V CA 2.744 64.875 62.300 -0.281 0.000 1.066 356 V CB -0.477 31.127 31.823 -0.365 0.000 0.667 356 V HN 0.390 nan 8.190 nan 0.000 0.461 357 K N -0.293 120.023 120.400 -0.140 0.000 2.148 357 K HA 0.086 4.407 4.320 0.003 0.000 0.204 357 K C 2.131 178.646 176.600 -0.142 0.000 1.050 357 K CA 1.578 57.785 56.287 -0.133 0.000 0.942 357 K CB -0.209 32.230 32.500 -0.101 0.000 0.724 357 K HN 0.502 nan 8.250 nan 0.000 0.446 358 L N 0.259 121.417 121.223 -0.110 0.000 2.044 358 L HA -0.136 4.206 4.340 0.003 0.000 0.205 358 L C 2.237 179.054 176.870 -0.089 0.000 1.075 358 L CA 1.075 55.866 54.840 -0.082 0.000 0.747 358 L CB -0.317 41.712 42.059 -0.050 0.000 0.903 358 L HN 0.110 nan 8.230 nan 0.000 0.435 359 S N -0.465 115.173 115.700 -0.102 0.000 2.383 359 S HA -0.071 4.401 4.470 0.003 0.000 0.227 359 S C 1.136 175.638 174.600 -0.162 0.000 1.026 359 S CA 0.765 58.911 58.200 -0.090 0.000 0.981 359 S CB 0.003 63.144 63.200 -0.098 0.000 0.818 359 S HN 0.197 nan 8.310 nan 0.000 0.472 360 V N 2.442 122.191 119.914 -0.275 0.000 2.611 360 V HA 0.237 4.358 4.120 0.003 0.000 0.286 360 V C -2.127 173.554 176.094 -0.688 0.000 1.118 360 V CA -1.298 60.674 62.300 -0.546 0.000 1.334 360 V CB 0.144 31.776 31.823 -0.318 0.000 1.555 360 V HN 0.146 nan 8.190 nan 0.000 0.594 361 P HA -0.180 nan 4.420 nan 0.000 0.219 361 P C 1.031 177.965 177.300 -0.609 0.000 1.144 361 P CA 1.713 64.548 63.100 -0.442 0.000 0.806 361 P CB -0.014 31.652 31.700 -0.056 0.000 0.771 362 H N -2.957 116.008 119.070 -0.175 0.000 2.575 362 H HA 0.534 5.091 4.556 0.002 0.000 0.267 362 H C 0.692 175.949 175.328 -0.118 0.000 0.966 362 H CA -0.227 55.746 56.048 -0.125 0.000 1.165 362 H CB -0.451 29.338 29.762 0.045 0.000 1.433 362 H HN -0.049 nan 8.280 nan 0.000 0.544 363 A N 2.092 124.740 122.820 -0.288 0.000 2.401 363 A HA 0.230 4.552 4.320 0.003 0.000 0.259 363 A C 0.178 177.690 177.584 -0.119 0.000 1.103 363 A CA -0.683 51.276 52.037 -0.129 0.000 0.789 363 A CB 0.109 19.017 19.000 -0.153 0.000 1.035 363 A HN 0.648 nan 8.150 nan 0.000 0.491 364 N N 1.938 120.601 118.700 -0.063 0.000 2.366 364 N HA 0.346 5.088 4.740 0.003 0.000 0.277 364 N C 0.873 176.359 175.510 -0.040 0.000 1.275 364 N CA 0.194 53.211 53.050 -0.054 0.000 0.964 364 N CB -0.384 38.085 38.487 -0.030 0.000 1.167 364 N HN 0.540 nan 8.380 nan 0.000 0.568 365 D N -0.333 120.052 120.400 -0.025 0.000 2.092 365 D HA -0.162 4.480 4.640 0.003 0.000 0.193 365 D C 1.849 178.159 176.300 0.017 0.000 0.994 365 D CA 1.872 55.869 54.000 -0.005 0.000 0.828 365 D CB -0.558 40.242 40.800 -0.001 0.000 0.963 365 D HN 0.500 nan 8.370 nan 0.000 0.450 366 L N 0.522 121.755 121.223 0.016 0.000 2.046 366 L HA 0.134 4.476 4.340 0.003 0.000 0.208 366 L C 2.911 179.812 176.870 0.052 0.000 1.077 366 L CA 2.286 57.148 54.840 0.038 0.000 0.747 366 L CB -0.628 41.447 42.059 0.027 0.000 0.896 366 L HN 0.290 nan 8.230 nan 0.000 0.432 367 G N -0.273 108.539 108.800 0.020 0.000 2.459 367 G HA2 -0.269 3.693 3.960 0.003 0.000 0.217 367 G HA3 -0.269 3.693 3.960 0.003 0.000 0.217 367 G C 1.508 176.441 174.900 0.055 0.000 1.183 367 G CA 1.231 46.346 45.100 0.024 0.000 0.776 367 G HN 0.443 nan 8.290 nan 0.000 0.552 368 L N 0.500 121.737 121.223 0.023 0.000 2.079 368 L HA -0.062 4.280 4.340 0.003 0.000 0.210 368 L C 2.497 179.422 176.870 0.091 0.000 1.081 368 L CA 1.206 56.066 54.840 0.035 0.000 0.752 368 L CB -0.518 41.537 42.059 -0.007 0.000 0.896 368 L HN 0.050 nan 8.230 nan 0.000 0.433 369 D N 0.637 121.096 120.400 0.099 0.000 2.092 369 D HA -0.202 4.440 4.640 0.003 0.000 0.193 369 D C 2.299 178.698 176.300 0.165 0.000 0.994 369 D CA 1.775 55.855 54.000 0.132 0.000 0.828 369 D CB -0.140 40.726 40.800 0.109 0.000 0.963 369 D HN 0.339 nan 8.370 nan 0.000 0.450 370 A N 0.612 123.544 122.820 0.186 0.000 1.908 370 A HA -0.156 4.166 4.320 0.003 0.000 0.218 370 A C 2.584 180.253 177.584 0.142 0.000 1.181 370 A CA 1.561 53.751 52.037 0.256 0.000 0.627 370 A CB -0.804 18.482 19.000 0.476 0.000 0.818 370 A HN 0.156 nan 8.150 nan 0.000 0.445 371 V N -0.189 119.828 119.914 0.173 0.000 2.255 371 V HA -0.266 3.856 4.120 0.003 0.000 0.247 371 V C 2.736 178.902 176.094 0.120 0.000 1.051 371 V CA 2.567 64.916 62.300 0.082 0.000 1.018 371 V CB -1.551 30.355 31.823 0.138 0.000 0.641 371 V HN 0.607 nan 8.190 nan 0.000 0.445 372 T N 0.670 115.331 114.554 0.177 0.000 2.684 372 T HA -0.233 4.119 4.350 0.003 0.000 0.267 372 T C 1.923 176.761 174.700 0.229 0.000 1.036 372 T CA 1.943 64.198 62.100 0.258 0.000 1.148 372 T CB -0.464 68.574 68.868 0.284 0.000 0.863 372 T HN 0.279 nan 8.240 nan 0.000 0.436 373 L N 1.112 122.507 121.223 0.287 0.000 2.013 373 L HA -0.146 4.196 4.340 0.003 0.000 0.212 373 L C 2.409 179.401 176.870 0.203 0.000 1.073 373 L CA 1.892 56.976 54.840 0.407 0.000 0.753 373 L CB -0.879 41.302 42.059 0.203 0.000 0.890 373 L HN 0.116 nan 8.230 nan 0.000 0.432 374 Q N -1.812 117.927 119.800 -0.101 0.000 2.123 374 Q HA -0.109 4.233 4.340 0.003 0.000 0.199 374 Q C 1.388 177.154 176.000 -0.390 0.000 0.966 374 Q CA 1.628 57.201 55.803 -0.383 0.000 0.845 374 Q CB -0.150 28.038 28.738 -0.915 0.000 0.907 374 Q HN 0.683 nan 8.270 nan 0.000 0.439 375 Y N -1.091 119.158 120.300 -0.085 0.000 2.485 375 Y HA 0.282 4.833 4.550 0.002 0.000 0.260 375 Y C -0.087 175.764 175.900 -0.082 0.000 1.173 375 Y CA -0.075 58.025 58.100 0.000 0.000 1.252 375 Y CB 0.856 39.391 38.460 0.126 0.000 1.123 375 Y HN -0.206 nan 8.280 nan 0.000 0.524 376 T N 0.170 114.586 114.554 -0.230 0.000 2.824 376 T HA 0.026 4.378 4.350 0.003 0.000 0.280 376 T C 0.820 175.069 174.700 -0.752 0.000 0.995 376 T CA -0.604 61.076 62.100 -0.701 0.000 1.009 376 T CB 1.517 69.536 68.868 -1.414 0.000 0.955 376 T HN 0.186 nan 8.240 nan 0.000 0.452 377 D N 1.321 121.399 120.400 -0.537 0.000 2.178 377 D HA -0.120 4.522 4.640 0.003 0.000 0.202 377 D C 0.736 176.965 176.300 -0.118 0.000 0.974 377 D CA 1.053 54.896 54.000 -0.263 0.000 0.841 377 D CB 0.116 40.812 40.800 -0.173 0.000 0.953 377 D HN 0.856 nan 8.370 nan 0.000 0.478 378 W N -1.017 120.242 121.300 -0.068 0.000 1.455 378 W HA -0.335 4.326 4.660 0.003 0.000 0.229 378 W C 1.859 178.348 176.519 -0.049 0.000 0.944 378 W CA 0.910 58.220 57.345 -0.057 0.000 0.397 378 W CB -1.542 27.888 29.460 -0.050 0.000 1.943 378 W HN 0.070 nan 8.180 nan 0.000 1.443 379 M N -1.023 118.665 119.600 0.147 0.000 2.333 379 M HA 0.126 4.608 4.480 0.003 0.000 0.257 379 M C 0.369 176.683 176.300 0.022 0.000 1.078 379 M CA 0.901 56.247 55.300 0.078 0.000 1.005 379 M CB 0.268 32.900 32.600 0.053 0.000 1.444 379 M HN -0.074 nan 8.290 nan 0.000 0.496 380 D N 0.173 120.563 120.400 -0.017 0.000 2.969 380 D HA -0.028 4.614 4.640 0.003 0.000 0.317 380 D C 0.500 176.725 176.300 -0.126 0.000 1.650 380 D CA 0.167 54.132 54.000 -0.059 0.000 0.789 380 D CB 0.282 41.049 40.800 -0.055 0.000 1.277 380 D HN 0.247 nan 8.370 nan 0.000 0.463 381 D N -0.968 119.348 120.400 -0.141 0.000 2.429 381 D HA -0.148 4.494 4.640 0.003 0.000 0.230 381 D C 0.597 176.752 176.300 -0.242 0.000 1.005 381 D CA 0.951 54.796 54.000 -0.257 0.000 0.963 381 D CB -0.625 40.051 40.800 -0.207 0.000 0.872 381 D HN 0.353 nan 8.370 nan 0.000 0.524 382 N N 0.114 118.712 118.700 -0.171 0.000 2.167 382 N HA -0.027 4.715 4.740 0.003 0.000 0.234 382 N C 0.069 175.501 175.510 -0.131 0.000 1.312 382 N CA -0.315 52.645 53.050 -0.149 0.000 0.861 382 N CB -0.785 37.644 38.487 -0.096 0.000 1.217 382 N HN 0.333 nan 8.380 nan 0.000 0.504 383 N N 0.651 119.269 118.700 -0.137 0.000 2.402 383 N HA 0.195 4.937 4.740 0.003 0.000 0.259 383 N C 1.552 176.990 175.510 -0.120 0.000 1.167 383 N CA 0.216 53.202 53.050 -0.106 0.000 0.949 383 N CB 0.550 38.984 38.487 -0.087 0.000 1.212 383 N HN 0.256 nan 8.380 nan 0.000 0.493 384 G N 4.219 112.951 108.800 -0.113 0.000 2.507 384 G HA2 -0.242 3.720 3.960 0.003 0.000 0.221 384 G HA3 -0.242 3.720 3.960 0.003 0.000 0.221 384 G C 1.332 176.167 174.900 -0.108 0.000 1.119 384 G CA 0.493 45.519 45.100 -0.123 0.000 0.751 384 G HN 0.603 nan 8.290 nan 0.000 0.574 385 I N 0.807 121.331 120.570 -0.077 0.000 2.202 385 I HA -0.038 4.134 4.170 0.003 0.000 0.242 385 I C 2.622 178.738 176.117 -0.001 0.000 1.091 385 I CA 1.035 62.312 61.300 -0.040 0.000 1.368 385 I CB -0.972 37.019 38.000 -0.015 0.000 1.058 385 I HN 0.191 nan 8.210 nan 0.000 0.410 386 K N 0.505 120.891 120.400 -0.024 0.000 2.032 386 K HA -0.177 4.145 4.320 0.003 0.000 0.209 386 K C 1.818 178.414 176.600 -0.007 0.000 1.048 386 K CA 1.381 57.656 56.287 -0.019 0.000 0.927 386 K CB -0.176 32.280 32.500 -0.073 0.000 0.712 386 K HN 0.310 nan 8.250 nan 0.000 0.441 387 N N 0.746 119.403 118.700 -0.071 0.000 2.223 387 N HA -0.160 4.582 4.740 0.003 0.000 0.185 387 N C 1.718 177.364 175.510 0.228 0.000 1.016 387 N CA 0.778 53.817 53.050 -0.019 0.000 0.863 387 N CB -0.151 38.251 38.487 -0.142 0.000 0.983 387 N HN 0.212 nan 8.380 nan 0.000 0.429 388 R N 1.327 121.888 120.500 0.100 0.000 2.082 388 R HA -0.115 4.227 4.340 0.003 0.000 0.228 388 R C 0.986 177.466 176.300 0.301 0.000 1.140 388 R CA 1.620 57.812 56.100 0.154 0.000 0.920 388 R CB -0.345 29.970 30.300 0.025 0.000 0.828 388 R HN 0.041 nan 8.270 nan 0.000 0.430 389 D N -0.559 119.979 120.400 0.229 0.000 2.133 389 D HA -0.140 4.502 4.640 0.003 0.000 0.195 389 D C 1.664 178.106 176.300 0.237 0.000 0.997 389 D CA 1.674 55.811 54.000 0.229 0.000 0.840 389 D CB -0.621 40.281 40.800 0.170 0.000 0.947 389 D HN 0.583 nan 8.370 nan 0.000 0.452 390 G N 0.085 109.040 108.800 0.258 0.000 2.484 390 G HA2 -0.140 3.822 3.960 0.003 0.000 0.218 390 G HA3 -0.140 3.822 3.960 0.003 0.000 0.218 390 G C 1.570 176.612 174.900 0.236 0.000 1.130 390 G CA 0.261 45.546 45.100 0.308 0.000 0.784 390 G HN 0.269 nan 8.290 nan 0.000 0.543 391 L N -0.023 121.352 121.223 0.253 0.000 2.209 391 L HA 0.160 4.501 4.340 0.003 0.000 0.207 391 L C 2.143 179.048 176.870 0.057 0.000 1.094 391 L CA 1.585 56.476 54.840 0.086 0.000 0.790 391 L CB -0.121 42.031 42.059 0.155 0.000 0.932 391 L HN 0.103 nan 8.230 nan 0.000 0.447 392 D N -0.229 120.258 120.400 0.145 0.000 2.117 392 D HA -0.222 4.420 4.640 0.003 0.000 0.197 392 D C 1.434 177.785 176.300 0.085 0.000 0.987 392 D CA 1.390 55.462 54.000 0.119 0.000 0.829 392 D CB 0.080 40.995 40.800 0.191 0.000 0.961 392 D HN 0.387 nan 8.370 nan 0.000 0.460 393 D N -0.016 120.447 120.400 0.105 0.000 2.178 393 D HA -0.075 4.567 4.640 0.003 0.000 0.202 393 D C 2.246 178.497 176.300 -0.081 0.000 0.974 393 D CA 0.363 54.433 54.000 0.117 0.000 0.841 393 D CB -0.075 40.907 40.800 0.303 0.000 0.953 393 D HN 0.398 nan 8.370 nan 0.000 0.478 394 I N 0.151 120.556 120.570 -0.274 0.000 2.141 394 I HA -0.217 3.955 4.170 0.003 0.000 0.236 394 I C 2.423 178.406 176.117 -0.223 0.000 1.071 394 I CA 0.554 61.634 61.300 -0.367 0.000 1.345 394 I CB -0.358 37.447 38.000 -0.325 0.000 1.066 394 I HN -0.137 nan 8.210 nan 0.000 0.406 395 V N 1.366 121.205 119.914 -0.124 0.000 2.317 395 V HA -0.297 3.825 4.120 0.003 0.000 0.251 395 V C 2.510 178.541 176.094 -0.105 0.000 1.065 395 V CA 2.347 64.606 62.300 -0.069 0.000 1.049 395 V CB -1.622 30.209 31.823 0.013 0.000 0.651 395 V HN 0.636 nan 8.190 nan 0.000 0.450 396 G N -0.377 108.390 108.800 -0.054 0.000 2.464 396 G HA2 -0.235 3.726 3.960 0.003 0.000 0.214 396 G HA3 -0.235 3.726 3.960 0.003 0.000 0.214 396 G C 1.213 176.050 174.900 -0.105 0.000 1.218 396 G CA 1.040 46.127 45.100 -0.022 0.000 0.794 396 G HN 0.508 nan 8.290 nan 0.000 0.542 397 D N -0.305 120.028 120.400 -0.112 0.000 2.123 397 D HA -0.098 4.543 4.640 0.003 0.000 0.196 397 D C 2.092 178.077 176.300 -0.524 0.000 0.992 397 D CA 1.395 55.301 54.000 -0.156 0.000 0.833 397 D CB -0.472 40.376 40.800 0.078 0.000 0.954 397 D HN 0.458 nan 8.370 nan 0.000 0.455 398 H N 0.384 118.886 119.070 -0.948 0.000 2.357 398 H HA 0.062 4.620 4.556 0.003 0.000 0.301 398 H C 1.438 176.398 175.328 -0.614 0.000 1.082 398 H CA 1.590 56.899 56.048 -1.231 0.000 1.342 398 H CB 0.109 29.010 29.762 -1.435 0.000 1.389 398 H HN -0.024 nan 8.280 nan 0.000 0.511 399 N N -0.869 117.411 118.700 -0.701 0.000 2.388 399 N HA 0.038 4.780 4.740 0.003 0.000 0.176 399 N C 0.874 176.132 175.510 -0.421 0.000 1.062 399 N CA 0.855 53.464 53.050 -0.737 0.000 0.895 399 N CB 1.358 39.148 38.487 -1.162 0.000 1.018 399 N HN 0.257 nan 8.380 nan 0.000 0.456 400 V N 0.265 120.013 119.914 -0.277 0.000 3.658 400 V HA 0.160 4.282 4.120 0.003 0.000 0.197 400 V C 1.980 178.039 176.094 -0.058 0.000 1.295 400 V CA -0.094 62.162 62.300 -0.073 0.000 1.298 400 V CB 0.152 32.012 31.823 0.061 0.000 1.347 400 V HN -0.085 nan 8.190 nan 0.000 0.548 401 I N 0.905 121.454 120.570 -0.035 0.000 2.127 401 I HA -0.319 3.853 4.170 0.003 0.000 0.241 401 I C 2.554 178.663 176.117 -0.014 0.000 1.075 401 I CA 2.069 63.368 61.300 -0.002 0.000 1.334 401 I CB -0.526 37.510 38.000 0.060 0.000 1.040 401 I HN 0.420 nan 8.210 nan 0.000 0.405 402 c N 0.586 119.158 118.600 -0.047 0.000 2.446 402 c HA -0.039 4.533 4.570 0.003 0.000 0.277 402 c C 0.301 174.401 174.090 0.016 0.000 1.275 402 c CA 0.589 56.932 56.329 0.022 0.000 1.727 402 c CB -2.097 40.475 42.510 0.102 0.000 2.010 402 c HN 0.376 nan 8.230 nan 0.000 0.486 403 P HA -0.097 nan 4.420 nan 0.000 0.218 403 P C 1.743 179.058 177.300 0.025 0.000 1.149 403 P CA 1.075 64.143 63.100 -0.053 0.000 0.817 403 P CB -0.198 31.381 31.700 -0.202 0.000 0.785 404 L N -1.825 119.391 121.223 -0.012 0.000 2.072 404 L HA -0.073 4.269 4.340 0.003 0.000 0.205 404 L C 2.047 178.944 176.870 0.044 0.000 1.079 404 L CA 1.482 56.325 54.840 0.006 0.000 0.752 404 L CB -0.497 41.536 42.059 -0.043 0.000 0.906 404 L HN -0.128 nan 8.230 nan 0.000 0.436 405 M N -1.002 118.613 119.600 0.025 0.000 2.296 405 M HA -0.208 4.273 4.480 0.003 0.000 0.265 405 M C 2.147 178.499 176.300 0.086 0.000 1.064 405 M CA 1.547 56.855 55.300 0.012 0.000 1.109 405 M CB -1.381 31.239 32.600 0.035 0.000 1.396 405 M HN 0.475 nan 8.290 nan 0.000 0.430 406 H N -0.120 118.981 119.070 0.053 0.000 2.403 406 H HA -0.115 4.443 4.556 0.004 0.000 0.298 406 H C 1.853 177.234 175.328 0.089 0.000 1.059 406 H CA 1.563 57.655 56.048 0.074 0.000 1.363 406 H CB -0.165 29.638 29.762 0.068 0.000 1.410 406 H HN 0.219 nan 8.280 nan 0.000 0.528 407 F N -0.061 119.877 119.950 -0.020 0.000 2.102 407 F HA -0.152 4.376 4.527 0.003 0.000 0.298 407 F C 2.357 178.096 175.800 -0.101 0.000 1.105 407 F CA 1.420 59.366 58.000 -0.089 0.000 1.239 407 F CB -0.822 38.117 39.000 -0.101 0.000 0.991 407 F HN 0.115 nan 8.300 nan 0.000 0.474 408 V N 1.251 121.130 119.914 -0.058 0.000 2.255 408 V HA -0.335 3.787 4.120 0.003 0.000 0.247 408 V C 2.253 178.270 176.094 -0.129 0.000 1.051 408 V CA 2.533 64.714 62.300 -0.197 0.000 1.018 408 V CB -0.648 30.952 31.823 -0.372 0.000 0.641 408 V HN 0.422 nan 8.190 nan 0.000 0.445 409 N N 0.010 118.666 118.700 -0.072 0.000 2.094 409 N HA -0.166 4.576 4.740 0.003 0.000 0.191 409 N C 1.792 177.295 175.510 -0.012 0.000 1.023 409 N CA 1.414 54.505 53.050 0.067 0.000 0.857 409 N CB -0.343 38.193 38.487 0.082 0.000 1.013 409 N HN 0.396 nan 8.380 nan 0.000 0.426 410 K N 0.478 120.786 120.400 -0.153 0.000 2.031 410 K HA -0.071 4.251 4.320 0.003 0.000 0.205 410 K C 2.037 178.674 176.600 0.061 0.000 1.049 410 K CA 0.666 56.905 56.287 -0.080 0.000 0.939 410 K CB -1.092 31.306 32.500 -0.169 0.000 0.717 410 K HN 0.301 nan 8.250 nan 0.000 0.438 411 Y N 2.240 122.359 120.300 -0.301 0.000 2.165 411 Y HA -0.266 4.286 4.550 0.003 0.000 0.286 411 Y C 2.349 178.267 175.900 0.030 0.000 1.155 411 Y CA 2.424 60.321 58.100 -0.340 0.000 1.164 411 Y CB -0.447 37.432 38.460 -0.968 0.000 0.978 411 Y HN 0.258 nan 8.280 nan 0.000 0.513 412 T N -1.792 112.844 114.554 0.136 0.000 3.098 412 T HA -0.122 4.229 4.350 0.003 0.000 0.266 412 T C 1.453 176.161 174.700 0.014 0.000 1.145 412 T CA 1.258 63.446 62.100 0.146 0.000 1.092 412 T CB -0.375 68.677 68.868 0.307 0.000 0.908 412 T HN 0.402 nan 8.240 nan 0.000 0.526 413 K N -0.002 120.377 120.400 -0.035 0.000 2.217 413 K HA 0.114 4.436 4.320 0.003 0.000 0.202 413 K C 0.526 176.870 176.600 -0.427 0.000 1.051 413 K CA 1.069 57.180 56.287 -0.295 0.000 0.952 413 K CB -0.031 32.152 32.500 -0.529 0.000 0.736 413 K HN 0.510 nan 8.250 nan 0.000 0.453 414 F N -0.613 119.279 119.950 -0.098 0.000 2.825 414 F HA 0.315 4.844 4.527 0.003 0.000 0.322 414 F C 1.022 176.698 175.800 -0.207 0.000 1.127 414 F CA -0.936 56.972 58.000 -0.154 0.000 1.164 414 F CB 0.474 39.330 39.000 -0.240 0.000 1.101 414 F HN -0.103 nan 8.300 nan 0.000 0.529 415 G N 0.161 108.892 108.800 -0.114 0.000 2.510 415 G HA2 0.208 4.170 3.960 0.003 0.000 0.280 415 G HA3 0.208 4.170 3.960 0.003 0.000 0.280 415 G C -0.336 174.615 174.900 0.084 0.000 1.386 415 G CA -0.356 44.680 45.100 -0.106 0.000 1.047 415 G HN 0.166 nan 8.290 nan 0.000 0.527 416 N N -0.981 117.825 118.700 0.177 0.000 2.517 416 N HA 0.440 5.182 4.740 0.003 0.000 0.285 416 N C -0.177 175.427 175.510 0.156 0.000 1.528 416 N CA 0.617 53.745 53.050 0.130 0.000 0.892 416 N CB 0.481 39.033 38.487 0.109 0.000 1.356 416 N HN 1.111 nan 8.380 nan 0.000 0.495 417 G N -0.084 108.818 108.800 0.170 0.000 2.653 417 G HA2 0.102 4.063 3.960 0.003 0.000 0.656 417 G HA3 0.102 4.063 3.960 0.003 0.000 0.656 417 G C -1.251 173.758 174.900 0.181 0.000 1.419 417 G CA -0.857 44.322 45.100 0.133 0.000 0.862 417 G HN 0.074 nan 8.290 nan 0.000 0.639 418 T N 1.248 115.785 114.554 -0.028 0.000 2.921 418 T HA 0.678 5.030 4.350 0.003 0.000 0.297 418 T C -1.291 173.223 174.700 -0.309 0.000 1.013 418 T CA -0.447 61.663 62.100 0.016 0.000 0.990 418 T CB 1.456 70.440 68.868 0.194 0.000 1.023 418 T HN 0.535 nan 8.240 nan 0.000 0.447 419 Y N 1.951 122.255 120.300 0.007 0.000 2.361 419 Y HA 0.725 5.277 4.550 0.003 0.000 0.337 419 Y C -0.579 175.438 175.900 0.196 0.000 0.965 419 Y CA -1.240 56.831 58.100 -0.049 0.000 1.091 419 Y CB 1.757 39.764 38.460 -0.756 0.000 1.182 419 Y HN 0.492 nan 8.280 nan 0.000 0.450 420 L N 5.804 127.421 121.223 0.658 0.000 2.409 420 L HA 0.617 4.959 4.340 0.003 0.000 0.272 420 L C -1.412 175.857 176.870 0.664 0.000 0.980 420 L CA -0.896 54.237 54.840 0.490 0.000 0.826 420 L CB 0.903 43.093 42.059 0.220 0.000 1.268 420 L HN 0.557 nan 8.230 nan 0.000 0.407 421 Y N 3.224 123.794 120.300 0.450 0.000 2.659 421 Y HA 0.793 5.345 4.550 0.003 0.000 0.333 421 Y C -1.588 174.531 175.900 0.364 0.000 1.064 421 Y CA -1.926 56.375 58.100 0.334 0.000 1.141 421 Y CB 1.249 39.858 38.460 0.249 0.000 1.316 421 Y HN 0.512 nan 8.280 nan 0.000 0.509 422 F N 2.688 122.823 119.950 0.308 0.000 2.659 422 F HA 0.432 4.961 4.527 0.003 0.000 0.342 422 F C -1.960 174.088 175.800 0.414 0.000 1.168 422 F CA -1.696 56.415 58.000 0.185 0.000 1.003 422 F CB 0.828 39.880 39.000 0.088 0.000 1.267 422 F HN 0.538 nan 8.300 nan 0.000 0.463 423 F N 8.013 128.011 119.950 0.080 0.000 2.421 423 F HA 0.348 4.877 4.527 0.003 0.000 0.358 423 F C -0.075 175.604 175.800 -0.201 0.000 1.115 423 F CA -0.400 57.642 58.000 0.070 0.000 1.160 423 F CB 0.588 39.721 39.000 0.222 0.000 1.123 423 F HN 0.526 nan 8.300 nan 0.000 0.508 424 N N 4.067 122.333 118.700 -0.724 0.000 2.672 424 N HA 0.123 4.864 4.740 0.003 0.000 0.295 424 N C -1.667 173.527 175.510 -0.527 0.000 1.924 424 N CA -0.535 52.183 53.050 -0.553 0.000 0.851 424 N CB -0.360 37.976 38.487 -0.253 0.000 1.281 424 N HN 0.695 nan 8.380 nan 0.000 0.494 425 H N 0.062 118.505 119.070 -1.046 0.000 2.609 425 H HA 0.470 5.028 4.556 0.003 0.000 0.344 425 H C -0.927 174.217 175.328 -0.307 0.000 1.040 425 H CA -0.521 55.144 56.048 -0.637 0.000 1.216 425 H CB 1.305 30.676 29.762 -0.652 0.000 1.529 425 H HN 0.038 nan 8.280 nan 0.000 0.519 426 R N 3.891 124.033 120.500 -0.598 0.000 2.198 426 R HA 0.411 4.753 4.340 0.003 0.000 0.339 426 R C -0.568 175.497 176.300 -0.393 0.000 1.020 426 R CA -0.405 55.504 56.100 -0.319 0.000 0.864 426 R CB 0.237 30.401 30.300 -0.228 0.000 1.105 426 R HN 0.843 nan 8.270 nan 0.000 0.463 427 A N 2.679 125.530 122.820 0.053 0.000 2.567 427 A HA -0.057 4.265 4.320 0.003 0.000 0.240 427 A C 1.502 179.119 177.584 0.055 0.000 1.053 427 A CA 0.745 52.954 52.037 0.285 0.000 0.755 427 A CB 0.247 19.508 19.000 0.436 0.000 0.978 427 A HN 0.911 nan 8.150 nan 0.000 0.507 428 S N 1.685 117.448 115.700 0.105 0.000 2.419 428 S HA -0.216 4.256 4.470 0.003 0.000 0.235 428 S C 0.954 175.515 174.600 -0.064 0.000 1.019 428 S CA 1.393 59.607 58.200 0.023 0.000 0.982 428 S CB -0.664 62.586 63.200 0.083 0.000 0.789 428 S HN 0.922 nan 8.310 nan 0.000 0.490 429 N N 0.472 119.081 118.700 -0.152 0.000 2.251 429 N HA 0.237 4.979 4.740 0.003 0.000 0.217 429 N C 0.125 175.534 175.510 -0.169 0.000 1.124 429 N CA -0.398 52.521 53.050 -0.219 0.000 0.843 429 N CB 0.030 38.266 38.487 -0.419 0.000 1.024 429 N HN 0.292 nan 8.380 nan 0.000 0.501 430 L N 2.286 123.457 121.223 -0.088 0.000 2.543 430 L HA -0.049 4.293 4.340 0.003 0.000 0.285 430 L C 1.593 178.385 176.870 -0.129 0.000 1.236 430 L CA 0.292 55.089 54.840 -0.071 0.000 0.871 430 L CB 1.140 43.180 42.059 -0.032 0.000 1.121 430 L HN 0.196 nan 8.230 nan 0.000 0.501 431 V N -0.037 119.740 119.914 -0.229 0.000 3.649 431 V HA 0.059 4.181 4.120 0.003 0.000 0.275 431 V C 0.406 176.393 176.094 -0.180 0.000 1.281 431 V CA -0.489 61.657 62.300 -0.257 0.000 1.143 431 V CB -0.855 30.698 31.823 -0.450 0.000 0.892 431 V HN 0.599 nan 8.190 nan 0.000 0.441 432 W N 1.132 122.358 121.300 -0.123 0.000 2.359 432 W HA 0.574 5.236 4.660 0.004 0.000 0.344 432 W C -1.978 174.396 176.519 -0.242 0.000 1.170 432 W CA -2.562 54.669 57.345 -0.190 0.000 1.296 432 W CB 0.037 29.246 29.460 -0.418 0.000 1.197 432 W HN -0.087 nan 8.180 nan 0.000 0.618 433 P HA -0.085 nan 4.420 nan 0.000 0.264 433 P C 0.637 177.826 177.300 -0.185 0.000 1.193 433 P CA 0.310 63.358 63.100 -0.088 0.000 0.763 433 P CB 1.117 32.769 31.700 -0.080 0.000 0.810 434 E N 3.934 124.109 120.200 -0.042 0.000 2.147 434 E HA -0.183 4.168 4.350 0.003 0.000 0.199 434 E C 1.481 178.074 176.600 -0.012 0.000 1.005 434 E CA 1.961 58.347 56.400 -0.024 0.000 0.810 434 E CB -0.720 29.004 29.700 0.039 0.000 0.736 434 E HN 0.749 nan 8.360 nan 0.000 0.460 435 W N -0.362 120.945 121.300 0.011 0.000 2.468 435 W HA -0.094 4.568 4.660 0.003 0.000 0.262 435 W C 1.652 178.178 176.519 0.012 0.000 1.241 435 W CA 1.059 58.420 57.345 0.026 0.000 1.232 435 W CB -0.911 28.581 29.460 0.052 0.000 1.124 435 W HN 0.322 nan 8.180 nan 0.000 0.597 436 M N 1.099 120.281 119.600 -0.696 0.000 2.492 436 M HA 0.178 4.660 4.480 0.003 0.000 0.262 436 M C 1.800 177.926 176.300 -0.291 0.000 1.090 436 M CA 1.449 56.310 55.300 -0.731 0.000 1.110 436 M CB -0.931 31.009 32.600 -1.100 0.000 1.407 436 M HN 0.108 nan 8.290 nan 0.000 0.470 437 G N 1.016 109.709 108.800 -0.178 0.000 2.556 437 G HA2 -0.276 3.686 3.960 0.003 0.000 0.283 437 G HA3 -0.276 3.686 3.960 0.003 0.000 0.283 437 G C -0.164 174.688 174.900 -0.080 0.000 1.177 437 G CA -0.182 44.870 45.100 -0.079 0.000 0.978 437 G HN 0.248 nan 8.290 nan 0.000 0.554 438 V N 1.978 121.872 119.914 -0.033 0.000 2.304 438 V HA 0.439 4.561 4.120 0.003 0.000 0.262 438 V C 0.986 177.146 176.094 0.109 0.000 1.061 438 V CA -0.176 62.139 62.300 0.024 0.000 0.872 438 V CB 0.430 32.220 31.823 -0.055 0.000 1.077 438 V HN 0.537 nan 8.190 nan 0.000 0.480 439 I N 3.357 124.000 120.570 0.121 0.000 2.634 439 I HA 0.117 4.289 4.170 0.003 0.000 0.284 439 I C 0.863 177.267 176.117 0.477 0.000 1.124 439 I CA -0.389 61.021 61.300 0.183 0.000 1.417 439 I CB 0.294 38.221 38.000 -0.121 0.000 1.396 439 I HN 0.622 nan 8.210 nan 0.000 0.571 440 H N 5.274 124.538 119.070 0.324 0.000 3.191 440 H HA 0.242 4.800 4.556 0.003 0.000 0.261 440 H C 0.839 176.302 175.328 0.225 0.000 1.013 440 H CA 1.003 57.213 56.048 0.270 0.000 1.457 440 H CB -0.152 29.755 29.762 0.242 0.000 1.535 440 H HN 0.790 nan 8.280 nan 0.000 0.518 441 G N 3.621 112.412 108.800 -0.014 0.000 2.192 441 G HA2 -0.270 3.692 3.960 0.003 0.000 0.193 441 G HA3 -0.270 3.692 3.960 0.003 0.000 0.193 441 G C 0.413 175.234 174.900 -0.131 0.000 0.999 441 G CA 0.102 45.073 45.100 -0.216 0.000 0.659 441 G HN 0.593 nan 8.290 nan 0.000 0.503 442 Y N 1.584 122.056 120.300 0.287 0.000 2.471 442 Y HA 0.172 4.724 4.550 0.003 0.000 0.286 442 Y C 2.446 178.535 175.900 0.315 0.000 1.188 442 Y CA 1.145 59.476 58.100 0.384 0.000 1.286 442 Y CB 0.404 39.111 38.460 0.412 0.000 1.072 442 Y HN 0.506 nan 8.280 nan 0.000 0.517 443 E N 0.252 120.468 120.200 0.028 0.000 2.166 443 E HA -0.080 4.272 4.350 0.003 0.000 0.192 443 E C 1.834 178.366 176.600 -0.113 0.000 0.967 443 E CA 0.712 56.833 56.400 -0.466 0.000 0.840 443 E CB -0.696 28.526 29.700 -0.797 0.000 0.795 443 E HN 0.499 nan 8.360 nan 0.000 0.470 444 I N 2.938 123.517 120.570 0.016 0.000 2.147 444 I HA -0.365 3.807 4.170 0.003 0.000 0.245 444 I C 2.670 178.802 176.117 0.026 0.000 1.059 444 I CA 2.443 63.789 61.300 0.077 0.000 1.320 444 I CB -0.616 37.468 38.000 0.140 0.000 1.021 444 I HN 0.281 nan 8.210 nan 0.000 0.415 445 E N 0.721 120.907 120.200 -0.023 0.000 2.204 445 E HA -0.214 4.138 4.350 0.003 0.000 0.195 445 E C 2.086 178.536 176.600 -0.251 0.000 0.990 445 E CA 1.372 57.677 56.400 -0.159 0.000 0.821 445 E CB -0.499 29.085 29.700 -0.194 0.000 0.750 445 E HN 0.453 nan 8.360 nan 0.000 0.477 446 F N 1.595 121.425 119.950 -0.199 0.000 2.128 446 F HA -0.090 4.439 4.527 0.003 0.000 0.295 446 F C 2.539 178.160 175.800 -0.299 0.000 1.100 446 F CA 0.779 58.624 58.000 -0.258 0.000 1.260 446 F CB -0.520 38.336 39.000 -0.241 0.000 1.009 446 F HN -0.175 nan 8.300 nan 0.000 0.476 447 V N -0.841 118.973 119.914 -0.167 0.000 2.453 447 V HA -0.302 3.820 4.120 0.003 0.000 0.252 447 V C 1.530 177.496 176.094 -0.212 0.000 1.068 447 V CA 1.675 63.770 62.300 -0.341 0.000 1.070 447 V CB -0.718 30.939 31.823 -0.278 0.000 0.664 447 V HN 0.222 nan 8.190 nan 0.000 0.461 448 F N 0.139 119.940 119.950 -0.249 0.000 2.641 448 F HA 0.472 5.001 4.527 0.003 0.000 0.302 448 F C 1.685 177.338 175.800 -0.244 0.000 1.098 448 F CA 0.139 58.009 58.000 -0.217 0.000 1.318 448 F CB -0.339 38.502 39.000 -0.264 0.000 1.035 448 F HN 0.211 nan 8.300 nan 0.000 0.551 449 G N 0.952 109.654 108.800 -0.163 0.000 2.366 449 G HA2 -0.308 3.654 3.960 0.003 0.000 0.299 449 G HA3 -0.308 3.654 3.960 0.003 0.000 0.299 449 G C 0.869 175.464 174.900 -0.507 0.000 1.020 449 G CA 0.336 45.273 45.100 -0.271 0.000 1.026 449 G HN 0.312 nan 8.290 nan 0.000 0.512 450 L N 0.132 120.981 121.223 -0.624 0.000 2.072 450 L HA 0.098 4.440 4.340 0.003 0.000 0.205 450 L C 0.248 176.648 176.870 -0.782 0.000 1.079 450 L CA 2.115 56.513 54.840 -0.736 0.000 0.752 450 L CB -1.078 40.645 42.059 -0.560 0.000 0.906 450 L HN 0.156 nan 8.230 nan 0.000 0.436 451 P HA -0.172 nan 4.420 nan 0.000 0.229 451 P C 1.534 178.569 177.300 -0.442 0.000 1.147 451 P CA 1.000 63.460 63.100 -1.067 0.000 0.766 451 P CB 0.064 31.141 31.700 -1.039 0.000 0.775 452 L N -1.227 119.767 121.223 -0.382 0.000 2.249 452 L HA 0.030 4.371 4.340 0.003 0.000 0.207 452 L C 1.041 177.837 176.870 -0.124 0.000 1.090 452 L CA 0.769 55.492 54.840 -0.196 0.000 0.802 452 L CB -0.608 41.362 42.059 -0.148 0.000 0.947 452 L HN -0.146 nan 8.230 nan 0.000 0.453 453 V N -1.051 118.749 119.914 -0.189 0.000 2.415 453 V HA 0.137 4.259 4.120 0.003 0.000 0.267 453 V C 1.372 177.444 176.094 -0.038 0.000 1.042 453 V CA -0.506 61.747 62.300 -0.079 0.000 1.000 453 V CB 0.883 32.640 31.823 -0.109 0.000 1.015 453 V HN 0.186 nan 8.190 nan 0.000 0.478 454 K N 3.276 123.671 120.400 -0.010 0.000 2.280 454 K HA -0.053 4.269 4.320 0.003 0.000 0.202 454 K C 1.914 178.517 176.600 0.005 0.000 1.047 454 K CA 1.622 57.911 56.287 0.005 0.000 0.942 454 K CB -0.267 32.236 32.500 0.004 0.000 0.739 454 K HN 0.889 nan 8.250 nan 0.000 0.457 455 E N 0.092 120.290 120.200 -0.004 0.000 2.511 455 E HA 0.053 4.405 4.350 0.003 0.000 0.196 455 E C 1.402 177.989 176.600 -0.023 0.000 1.066 455 E CA 0.370 56.761 56.400 -0.014 0.000 0.871 455 E CB -0.430 29.260 29.700 -0.016 0.000 0.863 455 E HN 0.347 nan 8.360 nan 0.000 0.520 456 L N -0.322 120.900 121.223 -0.003 0.000 2.607 456 L HA 0.341 4.683 4.340 0.003 0.000 0.228 456 L C 0.030 176.858 176.870 -0.070 0.000 1.123 456 L CA -0.064 54.769 54.840 -0.013 0.000 0.890 456 L CB -0.562 41.531 42.059 0.056 0.000 1.103 456 L HN 0.190 nan 8.230 nan 0.000 0.468 457 N N -0.981 117.703 118.700 -0.027 0.000 2.780 457 N HA -0.202 4.540 4.740 0.003 0.000 0.247 457 N C -0.760 174.690 175.510 -0.099 0.000 1.076 457 N CA 0.216 53.224 53.050 -0.070 0.000 0.688 457 N CB -1.078 37.328 38.487 -0.134 0.000 0.957 457 N HN 0.245 nan 8.380 nan 0.000 0.551 458 Y N -0.328 119.940 120.300 -0.053 0.000 2.496 458 Y HA 0.522 5.074 4.550 0.003 0.000 0.325 458 Y C 1.577 177.482 175.900 0.008 0.000 1.271 458 Y CA -0.401 57.685 58.100 -0.023 0.000 1.368 458 Y CB 0.672 39.092 38.460 -0.067 0.000 1.415 458 Y HN -0.110 nan 8.280 nan 0.000 0.527 459 T N -0.092 114.606 114.554 0.240 0.000 2.927 459 T HA 0.410 4.762 4.350 0.003 0.000 0.281 459 T C 1.045 175.823 174.700 0.129 0.000 0.998 459 T CA -0.085 62.107 62.100 0.152 0.000 1.019 459 T CB 1.381 70.351 68.868 0.170 0.000 1.061 459 T HN 0.757 nan 8.240 nan 0.000 0.518 460 A N 0.877 123.749 122.820 0.086 0.000 1.972 460 A HA -0.077 4.245 4.320 0.003 0.000 0.219 460 A C 2.176 179.797 177.584 0.061 0.000 1.169 460 A CA 1.304 53.376 52.037 0.059 0.000 0.635 460 A CB -0.649 18.378 19.000 0.044 0.000 0.810 460 A HN 0.752 nan 8.150 nan 0.000 0.446 461 E N 0.182 120.430 120.200 0.079 0.000 2.418 461 E HA -0.095 4.257 4.350 0.003 0.000 0.197 461 E C 1.455 178.101 176.600 0.076 0.000 1.026 461 E CA 1.047 57.486 56.400 0.065 0.000 0.862 461 E CB -0.468 29.271 29.700 0.065 0.000 0.799 461 E HN 0.919 nan 8.360 nan 0.000 0.518 462 E N 0.422 120.707 120.200 0.143 0.000 2.190 462 E HA -0.026 4.326 4.350 0.003 0.000 0.191 462 E C 2.213 178.875 176.600 0.104 0.000 0.978 462 E CA 0.514 57.063 56.400 0.248 0.000 0.839 462 E CB -0.071 29.915 29.700 0.476 0.000 0.787 462 E HN 0.377 nan 8.360 nan 0.000 0.473 463 E N 1.465 121.677 120.200 0.020 0.000 2.085 463 E HA -0.247 4.105 4.350 0.003 0.000 0.194 463 E C 2.020 178.612 176.600 -0.014 0.000 0.994 463 E CA 1.046 57.416 56.400 -0.049 0.000 0.801 463 E CB -0.027 29.655 29.700 -0.031 0.000 0.743 463 E HN 0.198 nan 8.360 nan 0.000 0.453 464 A N 1.471 124.300 122.820 0.015 0.000 1.842 464 A HA -0.242 4.080 4.320 0.003 0.000 0.217 464 A C 2.215 179.806 177.584 0.012 0.000 1.206 464 A CA 1.771 53.813 52.037 0.009 0.000 0.630 464 A CB -1.115 17.893 19.000 0.014 0.000 0.839 464 A HN 0.374 nan 8.150 nan 0.000 0.447 465 L N -0.079 121.170 121.223 0.042 0.000 2.043 465 L HA -0.184 4.158 4.340 0.003 0.000 0.212 465 L C 2.694 179.633 176.870 0.114 0.000 1.075 465 L CA 2.697 57.573 54.840 0.060 0.000 0.752 465 L CB -0.649 41.427 42.059 0.028 0.000 0.891 465 L HN 0.424 nan 8.230 nan 0.000 0.432 466 S N -0.999 114.806 115.700 0.175 0.000 2.370 466 S HA -0.205 4.267 4.470 0.003 0.000 0.226 466 S C 2.172 176.758 174.600 -0.023 0.000 1.033 466 S CA 1.286 59.527 58.200 0.068 0.000 1.011 466 S CB -0.233 62.869 63.200 -0.163 0.000 0.852 466 S HN 0.505 nan 8.310 nan 0.000 0.457 467 R N 0.369 120.854 120.500 -0.025 0.000 2.081 467 R HA -0.041 4.301 4.340 0.003 0.000 0.235 467 R C 2.715 178.995 176.300 -0.034 0.000 1.131 467 R CA 1.529 57.611 56.100 -0.030 0.000 0.960 467 R CB -0.392 29.887 30.300 -0.035 0.000 0.856 467 R HN 0.458 nan 8.270 nan 0.000 0.436 468 R N 0.825 121.287 120.500 -0.064 0.000 2.092 468 R HA -0.061 4.281 4.340 0.003 0.000 0.231 468 R C 2.129 178.322 176.300 -0.178 0.000 1.119 468 R CA 1.036 57.038 56.100 -0.164 0.000 0.970 468 R CB -0.037 30.164 30.300 -0.164 0.000 0.864 468 R HN 0.121 nan 8.270 nan 0.000 0.440 469 I N 0.841 121.380 120.570 -0.051 0.000 2.163 469 I HA -0.258 3.914 4.170 0.003 0.000 0.240 469 I C 2.402 178.515 176.117 -0.006 0.000 1.081 469 I CA 1.422 62.699 61.300 -0.039 0.000 1.353 469 I CB -0.588 37.255 38.000 -0.262 0.000 1.054 469 I HN 0.361 nan 8.210 nan 0.000 0.407 470 M N -0.597 118.969 119.600 -0.058 0.000 2.195 470 M HA -0.285 4.197 4.480 0.003 0.000 0.260 470 M C 2.284 178.677 176.300 0.155 0.000 1.066 470 M CA 1.789 57.088 55.300 -0.001 0.000 1.089 470 M CB -0.612 31.974 32.600 -0.023 0.000 1.377 470 M HN 0.269 nan 8.290 nan 0.000 0.411 471 H N -0.982 118.119 119.070 0.051 0.000 2.436 471 H HA -0.100 4.458 4.556 0.003 0.000 0.294 471 H C 1.467 176.914 175.328 0.198 0.000 1.048 471 H CA 1.640 57.726 56.048 0.063 0.000 1.353 471 H CB 0.147 29.893 29.762 -0.027 0.000 1.414 471 H HN 0.265 nan 8.280 nan 0.000 0.536 472 Y N -0.926 119.561 120.300 0.311 0.000 2.200 472 Y HA -0.203 4.349 4.550 0.003 0.000 0.290 472 Y C 2.297 178.377 175.900 0.299 0.000 1.137 472 Y CA 0.908 59.223 58.100 0.359 0.000 1.163 472 Y CB -0.782 38.122 38.460 0.740 0.000 0.988 472 Y HN 0.385 nan 8.280 nan 0.000 0.518 473 W N -0.822 120.578 121.300 0.167 0.000 2.388 473 W HA -0.136 4.525 4.660 0.003 0.000 0.294 473 W C 2.402 178.919 176.519 -0.004 0.000 1.212 473 W CA 1.104 58.484 57.345 0.059 0.000 1.271 473 W CB -0.268 29.197 29.460 0.009 0.000 1.126 473 W HN 0.045 nan 8.180 nan 0.000 0.535 474 A N -0.154 122.762 122.820 0.159 0.000 1.878 474 A HA -0.087 4.235 4.320 0.003 0.000 0.213 474 A C 1.825 179.365 177.584 -0.073 0.000 1.192 474 A CA 1.786 53.825 52.037 0.003 0.000 0.619 474 A CB -1.177 17.820 19.000 -0.004 0.000 0.837 474 A HN 0.099 nan 8.150 nan 0.000 0.446 475 T N -0.219 114.234 114.554 -0.168 0.000 2.699 475 T HA -0.186 4.166 4.350 0.003 0.000 0.268 475 T C 1.611 176.234 174.700 -0.128 0.000 1.036 475 T CA 1.839 63.814 62.100 -0.208 0.000 1.147 475 T CB -0.446 68.228 68.868 -0.323 0.000 0.862 475 T HN 0.512 nan 8.240 nan 0.000 0.446 476 F N 2.191 122.007 119.950 -0.224 0.000 2.146 476 F HA 0.050 4.579 4.527 0.003 0.000 0.298 476 F C 2.434 178.116 175.800 -0.198 0.000 1.096 476 F CA 0.943 58.770 58.000 -0.288 0.000 1.275 476 F CB -0.714 38.026 39.000 -0.433 0.000 1.008 476 F HN 0.138 nan 8.300 nan 0.000 0.480 477 A N 1.461 124.162 122.820 -0.199 0.000 1.903 477 A HA -0.303 4.019 4.320 0.003 0.000 0.219 477 A C 2.269 179.687 177.584 -0.276 0.000 1.191 477 A CA 2.601 54.502 52.037 -0.227 0.000 0.638 477 A CB -0.960 17.982 19.000 -0.097 0.000 0.823 477 A HN 0.657 nan 8.150 nan 0.000 0.451 478 K N -2.950 117.324 120.400 -0.211 0.000 2.323 478 K HA 0.104 4.426 4.320 0.003 0.000 0.197 478 K C 1.257 177.750 176.600 -0.178 0.000 1.043 478 K CA 1.425 57.615 56.287 -0.161 0.000 0.997 478 K CB -0.054 32.384 32.500 -0.103 0.000 0.807 478 K HN 0.211 nan 8.250 nan 0.000 0.497 479 T N -0.552 113.865 114.554 -0.228 0.000 2.969 479 T HA 0.202 4.553 4.350 0.003 0.000 0.250 479 T C 0.958 175.505 174.700 -0.255 0.000 1.021 479 T CA 0.573 62.553 62.100 -0.199 0.000 1.003 479 T CB 0.581 69.360 68.868 -0.147 0.000 1.040 479 T HN 0.570 nan 8.240 nan 0.000 0.492 480 G N 2.157 110.673 108.800 -0.473 0.000 2.176 480 G HA2 -0.222 3.740 3.960 0.003 0.000 0.253 480 G HA3 -0.222 3.740 3.960 0.003 0.000 0.253 480 G C 0.022 174.777 174.900 -0.241 0.000 0.979 480 G CA 0.237 45.038 45.100 -0.497 0.000 0.641 480 G HN 0.621 nan 8.290 nan 0.000 0.530 481 N N -0.236 118.323 118.700 -0.235 0.000 2.260 481 N HA 0.518 5.260 4.740 0.003 0.000 0.293 481 N C -1.656 173.657 175.510 -0.328 0.000 1.058 481 N CA -1.739 51.138 53.050 -0.288 0.000 0.824 481 N CB 2.480 40.928 38.487 -0.065 0.000 1.551 481 N HN -0.065 nan 8.380 nan 0.000 0.475 482 P HA -0.001 nan 4.420 nan 0.000 0.225 482 P C -0.604 176.727 177.300 0.053 0.000 1.156 482 P CA 0.643 63.561 63.100 -0.303 0.000 0.787 482 P CB 0.231 31.444 31.700 -0.811 0.000 0.802 483 N N 0.407 119.126 118.700 0.032 0.000 2.470 483 N HA 0.141 4.883 4.740 0.003 0.000 0.268 483 N C 0.185 175.768 175.510 0.122 0.000 1.136 483 N CA -0.080 53.071 53.050 0.170 0.000 0.961 483 N CB 0.731 39.317 38.487 0.164 0.000 1.067 483 N HN -0.074 nan 8.380 nan 0.000 0.468 491 K N 2.443 122.970 120.400 0.210 0.000 2.491 491 K HA 0.016 4.337 4.320 0.003 0.000 0.279 491 K C -0.944 175.849 176.600 0.322 0.000 1.026 491 K CA 0.222 56.662 56.287 0.256 0.000 1.070 491 K CB -0.021 32.594 32.500 0.192 0.000 0.887 491 K HN 0.410 nan 8.250 nan 0.000 0.481 492 W N 8.313 129.712 121.300 0.166 0.000 2.360 492 W HA 0.243 4.904 4.660 0.003 0.000 0.344 492 W C -2.326 174.335 176.519 0.238 0.000 1.025 492 W CA -3.133 54.307 57.345 0.160 0.000 1.480 492 W CB -0.457 29.031 29.460 0.047 0.000 1.350 492 W HN 0.466 nan 8.180 nan 0.000 0.382 493 P HA -0.112 nan 4.420 nan 0.000 0.269 493 P C -0.430 177.023 177.300 0.254 0.000 1.205 493 P CA 0.038 63.323 63.100 0.309 0.000 0.780 493 P CB 0.844 32.654 31.700 0.184 0.000 0.858 494 L N 2.677 123.911 121.223 0.018 0.000 2.326 494 L HA 0.396 4.738 4.340 0.003 0.000 0.278 494 L C -0.175 176.651 176.870 -0.073 0.000 1.092 494 L CA -0.647 54.025 54.840 -0.280 0.000 0.810 494 L CB 0.015 41.922 42.059 -0.253 0.000 1.153 494 L HN 0.154 nan 8.230 nan 0.000 0.439 495 F N 3.709 123.568 119.950 -0.151 0.000 2.495 495 F HA 0.343 4.872 4.527 0.003 0.000 0.365 495 F C 0.047 175.830 175.800 -0.028 0.000 1.090 495 F CA 0.436 58.434 58.000 -0.003 0.000 1.235 495 F CB 0.511 39.543 39.000 0.053 0.000 1.119 495 F HN 0.468 nan 8.300 nan 0.000 0.562 496 T N 4.413 118.557 114.554 -0.683 0.000 2.879 496 T HA 0.151 4.503 4.350 0.003 0.000 0.290 496 T C 0.969 175.306 174.700 -0.605 0.000 0.993 496 T CA -0.021 61.812 62.100 -0.446 0.000 0.975 496 T CB 1.555 70.261 68.868 -0.270 0.000 0.981 496 T HN 0.727 nan 8.240 nan 0.000 0.439 497 T N 1.141 115.506 114.554 -0.315 0.000 2.822 497 T HA -0.192 4.160 4.350 0.003 0.000 0.270 497 T C 1.877 176.471 174.700 -0.177 0.000 1.064 497 T CA 1.134 63.118 62.100 -0.193 0.000 1.131 497 T CB -0.101 68.734 68.868 -0.055 0.000 0.858 497 T HN 0.438 nan 8.240 nan 0.000 0.483 498 K N 1.883 122.175 120.400 -0.180 0.000 1.964 498 K HA -0.082 4.239 4.320 0.003 0.000 0.218 498 K C 2.509 179.035 176.600 -0.123 0.000 1.043 498 K CA 2.000 58.214 56.287 -0.122 0.000 0.966 498 K CB -0.781 31.657 32.500 -0.104 0.000 0.739 498 K HN 0.309 nan 8.250 nan 0.000 0.443 499 E N 0.259 120.367 120.200 -0.154 0.000 2.250 499 E HA 0.025 4.377 4.350 0.003 0.000 0.192 499 E C -0.142 176.370 176.600 -0.147 0.000 0.986 499 E CA 0.613 56.940 56.400 -0.121 0.000 0.849 499 E CB -0.295 29.348 29.700 -0.095 0.000 0.797 499 E HN 0.510 nan 8.360 nan 0.000 0.482 500 Q N -0.091 119.500 119.800 -0.349 0.000 2.463 500 Q HA -0.205 4.137 4.340 0.003 0.000 0.299 500 Q C -0.474 175.576 176.000 0.084 0.000 1.353 500 Q CA 0.504 56.074 55.803 -0.388 0.000 0.828 500 Q CB -1.495 27.255 28.738 0.019 0.000 1.157 500 Q HN 0.404 nan 8.270 nan 0.000 0.436 501 K N 0.684 121.101 120.400 0.028 0.000 2.295 501 K HA 0.512 4.833 4.320 0.003 0.000 0.270 501 K C 0.105 176.949 176.600 0.406 0.000 1.011 501 K CA 0.320 56.683 56.287 0.127 0.000 0.953 501 K CB 0.421 32.953 32.500 0.053 0.000 0.956 501 K HN 0.225 nan 8.250 nan 0.000 0.477 502 F N -0.410 119.694 119.950 0.258 0.000 2.711 502 F HA 0.602 5.131 4.527 0.003 0.000 0.313 502 F C -1.222 174.673 175.800 0.159 0.000 1.141 502 F CA -1.580 56.587 58.000 0.279 0.000 0.941 502 F CB 0.637 39.801 39.000 0.274 0.000 1.349 502 F HN 0.413 nan 8.300 nan 0.000 0.464 503 I N -0.710 120.062 120.570 0.337 0.000 2.740 503 I HA 0.590 4.762 4.170 0.003 0.000 0.303 503 I C -1.242 175.095 176.117 0.367 0.000 1.044 503 I CA -0.888 60.458 61.300 0.078 0.000 1.064 503 I CB 2.161 39.963 38.000 -0.330 0.000 1.249 503 I HN 0.562 nan 8.210 nan 0.000 0.433 504 D N 4.493 125.095 120.400 0.336 0.000 2.283 504 D HA 0.371 5.013 4.640 0.003 0.000 0.248 504 D C -0.939 175.507 176.300 0.243 0.000 1.072 504 D CA -0.334 53.943 54.000 0.462 0.000 0.929 504 D CB 2.818 43.921 40.800 0.504 0.000 1.182 504 D HN 0.255 nan 8.370 nan 0.000 0.433 505 L N 2.578 123.960 121.223 0.265 0.000 2.353 505 L HA 0.270 4.612 4.340 0.003 0.000 0.270 505 L C -0.979 175.934 176.870 0.071 0.000 1.003 505 L CA -0.285 54.675 54.840 0.200 0.000 0.862 505 L CB 0.129 42.374 42.059 0.311 0.000 1.221 505 L HN 0.552 nan 8.230 nan 0.000 0.430 506 N N -0.269 118.445 118.700 0.023 0.000 3.277 506 N HA 0.253 4.995 4.740 0.003 0.000 0.278 506 N C 0.242 175.708 175.510 -0.073 0.000 1.544 506 N CA -0.130 52.866 53.050 -0.089 0.000 0.869 506 N CB 0.424 38.886 38.487 -0.042 0.000 1.584 506 N HN 0.104 nan 8.380 nan 0.000 0.564 507 T N -3.506 110.974 114.554 -0.122 0.000 3.228 507 T HA 0.134 4.486 4.350 0.003 0.000 0.261 507 T C -0.285 174.421 174.700 0.010 0.000 1.171 507 T CA 0.267 62.324 62.100 -0.072 0.000 1.056 507 T CB -0.786 68.034 68.868 -0.081 0.000 0.938 507 T HN 0.441 nan 8.240 nan 0.000 0.539 508 E N 1.736 121.956 120.200 0.033 0.000 2.249 508 E HA 0.468 4.820 4.350 0.003 0.000 0.263 508 E C -2.869 173.761 176.600 0.050 0.000 0.950 508 E CA -2.257 54.172 56.400 0.047 0.000 0.827 508 E CB 0.795 30.530 29.700 0.058 0.000 1.220 508 E HN 0.333 nan 8.360 nan 0.000 0.411 509 P HA -0.067 nan 4.420 nan 0.000 0.256 509 P C 0.109 177.436 177.300 0.044 0.000 1.189 509 P CA 0.302 63.431 63.100 0.047 0.000 0.808 509 P CB -0.003 31.721 31.700 0.040 0.000 0.793 510 M N 3.625 123.258 119.600 0.055 0.000 2.210 510 M HA -0.161 4.320 4.480 0.003 0.000 0.428 510 M C -0.054 176.239 176.300 -0.012 0.000 1.344 510 M CA 1.415 56.739 55.300 0.041 0.000 0.770 510 M CB -0.044 32.596 32.600 0.068 0.000 1.960 510 M HN 0.284 nan 8.290 nan 0.000 0.521 511 K N 3.924 124.288 120.400 -0.059 0.000 2.270 511 K HA 0.581 4.902 4.320 0.003 0.000 0.255 511 K C -1.175 175.211 176.600 -0.358 0.000 0.936 511 K CA -0.961 55.194 56.287 -0.220 0.000 0.809 511 K CB 2.317 34.624 32.500 -0.321 0.000 1.131 511 K HN 0.448 nan 8.250 nan 0.000 0.427 512 V N 3.099 122.788 119.914 -0.375 0.000 2.539 512 V HA 0.278 4.400 4.120 0.003 0.000 0.292 512 V C -0.458 175.261 176.094 -0.625 0.000 1.045 512 V CA -0.426 61.657 62.300 -0.362 0.000 0.945 512 V CB 1.021 32.744 31.823 -0.167 0.000 0.993 512 V HN 0.738 nan 8.190 nan 0.000 0.464 513 H N 2.051 120.778 119.070 -0.572 0.000 2.949 513 H HA 0.711 5.269 4.556 0.003 0.000 0.310 513 H C -0.809 174.096 175.328 -0.705 0.000 1.405 513 H CA -0.759 54.883 56.048 -0.678 0.000 1.253 513 H CB 1.802 30.979 29.762 -0.975 0.000 1.932 513 H HN 0.586 nan 8.280 nan 0.000 0.602 514 Q N -0.000 119.676 119.800 -0.207 0.000 2.495 514 Q HA 0.430 4.771 4.340 0.003 0.000 0.287 514 Q C -0.896 175.289 176.000 0.308 0.000 1.078 514 Q CA -1.167 54.661 55.803 0.042 0.000 0.793 514 Q CB 2.684 31.441 28.738 0.033 0.000 1.459 514 Q HN 0.440 nan 8.270 nan 0.000 0.422 515 R N 1.015 121.730 120.500 0.360 0.000 2.884 515 R HA -0.209 4.133 4.340 0.003 0.000 0.251 515 R C -0.476 176.021 176.300 0.330 0.000 0.870 515 R CA 0.018 56.317 56.100 0.330 0.000 0.647 515 R CB -1.374 29.044 30.300 0.196 0.000 1.415 515 R HN 0.552 nan 8.270 nan 0.000 0.513 516 L N 3.180 124.594 121.223 0.318 0.000 2.601 516 L HA -0.067 4.275 4.340 0.003 0.000 0.277 516 L C 0.762 177.639 176.870 0.011 0.000 1.219 516 L CA 0.461 55.258 54.840 -0.072 0.000 0.915 516 L CB 0.249 41.985 42.059 -0.538 0.000 1.160 516 L HN 0.528 nan 8.230 nan 0.000 0.494 517 R N 2.574 123.081 120.500 0.011 0.000 3.314 517 R HA -0.212 4.130 4.340 0.003 0.000 0.243 517 R C 0.954 177.334 176.300 0.134 0.000 0.954 517 R CA 0.915 57.066 56.100 0.086 0.000 0.645 517 R CB -2.657 27.720 30.300 0.129 0.000 1.022 517 R HN 0.681 nan 8.270 nan 0.000 0.468 518 V N 0.314 120.306 119.914 0.130 0.000 2.255 518 V HA -0.373 3.748 4.120 0.003 0.000 0.247 518 V C 2.439 178.621 176.094 0.147 0.000 1.051 518 V CA 2.673 65.060 62.300 0.145 0.000 1.018 518 V CB -0.052 31.852 31.823 0.135 0.000 0.641 518 V HN 0.535 nan 8.190 nan 0.000 0.445 519 Q N -0.995 118.874 119.800 0.115 0.000 2.045 519 Q HA -0.232 4.110 4.340 0.003 0.000 0.206 519 Q C 2.246 178.326 176.000 0.134 0.000 0.991 519 Q CA 2.879 58.737 55.803 0.091 0.000 0.851 519 Q CB -0.325 28.438 28.738 0.042 0.000 0.911 519 Q HN 0.585 nan 8.270 nan 0.000 0.418 520 M N -0.983 118.718 119.600 0.169 0.000 2.086 520 M HA -0.176 4.306 4.480 0.003 0.000 0.261 520 M C 2.377 178.986 176.300 0.514 0.000 1.067 520 M CA 1.178 56.656 55.300 0.296 0.000 1.116 520 M CB -1.132 31.692 32.600 0.372 0.000 1.348 520 M HN 0.348 nan 8.290 nan 0.000 0.407 521 c N -0.104 118.753 118.600 0.428 0.000 2.456 521 c HA -0.011 4.561 4.570 0.003 0.000 0.279 521 c C 2.885 177.179 174.090 0.340 0.000 1.427 521 c CA 0.493 57.082 56.329 0.434 0.000 1.778 521 c CB -1.359 41.329 42.510 0.295 0.000 1.842 521 c HN 0.548 nan 8.230 nan 0.000 0.531 522 V N 0.454 120.533 119.914 0.275 0.000 2.809 522 V HA -0.134 3.988 4.120 0.003 0.000 0.256 522 V C 1.856 178.093 176.094 0.238 0.000 1.080 522 V CA 1.838 64.269 62.300 0.219 0.000 1.102 522 V CB -0.802 31.120 31.823 0.166 0.000 0.705 522 V HN 0.516 nan 8.190 nan 0.000 0.475 523 F N 0.358 120.388 119.950 0.134 0.000 2.098 523 F HA 0.002 4.531 4.527 0.003 0.000 0.294 523 F C 1.749 177.579 175.800 0.051 0.000 1.107 523 F CA 1.985 60.013 58.000 0.046 0.000 1.234 523 F CB -0.509 38.406 39.000 -0.141 0.000 1.002 523 F HN 0.267 nan 8.300 nan 0.000 0.472 524 W N 0.891 122.185 121.300 -0.010 0.000 2.407 524 W HA -0.094 4.567 4.660 0.003 0.000 0.305 524 W C 2.357 178.819 176.519 -0.094 0.000 1.196 524 W CA 0.986 58.267 57.345 -0.107 0.000 1.311 524 W CB -0.831 28.730 29.460 0.169 0.000 1.135 524 W HN -0.038 nan 8.180 nan 0.000 0.514 525 N N -0.133 118.707 118.700 0.232 0.000 2.135 525 N HA -0.132 4.610 4.740 0.003 0.000 0.186 525 N C 1.715 177.245 175.510 0.034 0.000 1.027 525 N CA 2.009 55.112 53.050 0.089 0.000 0.849 525 N CB -0.885 37.690 38.487 0.147 0.000 1.002 525 N HN 0.209 nan 8.380 nan 0.000 0.425 526 Q N -0.424 119.415 119.800 0.064 0.000 2.525 526 Q HA 0.194 4.536 4.340 0.003 0.000 0.203 526 Q C 1.918 177.922 176.000 0.007 0.000 0.947 526 Q CA 0.051 55.883 55.803 0.048 0.000 0.881 526 Q CB -1.092 27.705 28.738 0.100 0.000 1.049 526 Q HN 0.429 nan 8.270 nan 0.000 0.600 527 F N 1.584 121.471 119.950 -0.105 0.000 2.046 527 F HA -0.111 4.418 4.527 0.004 0.000 0.297 527 F C 2.119 177.764 175.800 -0.259 0.000 1.123 527 F CA 1.600 59.514 58.000 -0.142 0.000 1.199 527 F CB -0.504 38.472 39.000 -0.039 0.000 0.972 527 F HN 0.150 nan 8.300 nan 0.000 0.474 528 L N 0.372 121.197 121.223 -0.664 0.000 1.978 528 L HA -0.230 4.112 4.340 0.003 0.000 0.218 528 L C -0.397 176.214 176.870 -0.432 0.000 1.075 528 L CA 2.296 56.724 54.840 -0.687 0.000 0.767 528 L CB -1.909 39.654 42.059 -0.828 0.000 0.890 528 L HN 0.125 nan 8.230 nan 0.000 0.434 529 P HA -0.236 nan 4.420 nan 0.000 0.216 529 P C 1.367 178.548 177.300 -0.199 0.000 1.157 529 P CA 1.659 64.651 63.100 -0.180 0.000 0.880 529 P CB -0.047 31.575 31.700 -0.130 0.000 0.791 530 K N -0.543 119.713 120.400 -0.240 0.000 2.032 530 K HA -0.164 4.158 4.320 0.003 0.000 0.209 530 K C 2.106 178.544 176.600 -0.271 0.000 1.048 530 K CA 1.224 57.382 56.287 -0.216 0.000 0.927 530 K CB -0.897 31.489 32.500 -0.191 0.000 0.712 530 K HN 0.015 nan 8.250 nan 0.000 0.441 531 L N 1.056 121.996 121.223 -0.472 0.000 1.970 531 L HA -0.214 4.128 4.340 0.003 0.000 0.212 531 L C 2.022 178.759 176.870 -0.221 0.000 1.071 531 L CA 1.483 56.074 54.840 -0.416 0.000 0.751 531 L CB -0.289 41.377 42.059 -0.655 0.000 0.889 531 L HN 0.246 nan 8.230 nan 0.000 0.432 532 L N 0.412 121.516 121.223 -0.198 0.000 2.351 532 L HA -0.181 4.161 4.340 0.003 0.000 0.220 532 L C 1.176 177.999 176.870 -0.078 0.000 1.127 532 L CA 0.884 55.662 54.840 -0.103 0.000 0.786 532 L CB -1.534 40.490 42.059 -0.058 0.000 0.914 532 L HN 0.562 nan 8.230 nan 0.000 0.443 533 N N 0.301 118.947 118.700 -0.091 0.000 2.817 533 N HA 0.602 5.344 4.740 0.003 0.000 0.234 533 N C 0.663 176.138 175.510 -0.058 0.000 1.066 533 N CA 0.256 53.270 53.050 -0.060 0.000 0.926 533 N CB 0.324 38.778 38.487 -0.055 0.000 1.176 533 N HN 0.327 nan 8.380 nan 0.000 0.506 534 A N 0.000 122.792 122.820 -0.047 0.000 2.254 534 A HA 0.000 4.322 4.320 0.003 0.000 0.244 534 A CA 0.000 52.015 52.037 -0.037 0.000 0.836 534 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 534 A HN 0.000 nan 8.150 nan 0.000 0.486