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 1qie_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 EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMCVF WNQFLPKLLN AT 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 0.000 174.650 174.600 0.084 0.000 1.055 4 S CA 0.000 58.233 58.200 0.054 0.000 1.107 4 S CB 0.000 63.231 63.200 0.051 0.000 0.593 5 E N 2.586 122.837 120.200 0.086 0.000 2.204 5 E HA -0.024 4.326 4.350 -0.001 0.000 0.195 5 E C 1.084 177.804 176.600 0.200 0.000 0.990 5 E CA 1.240 57.718 56.400 0.129 0.000 0.821 5 E CB -0.074 29.689 29.700 0.104 0.000 0.750 5 E HN 0.728 nan 8.360 nan 0.000 0.477 6 L N 0.800 122.104 121.223 0.135 0.000 2.591 6 L HA 0.155 4.494 4.340 -0.001 0.000 0.228 6 L C 0.251 177.287 176.870 0.276 0.000 1.133 6 L CA -0.380 54.529 54.840 0.115 0.000 0.880 6 L CB 0.270 42.307 42.059 -0.037 0.000 1.033 6 L HN 0.131 nan 8.230 nan 0.000 0.450 7 L N 0.774 122.142 121.223 0.241 0.000 2.287 7 L HA 0.540 4.880 4.340 -0.001 0.000 0.287 7 L C -0.642 176.329 176.870 0.167 0.000 1.022 7 L CA -0.248 54.724 54.840 0.219 0.000 0.814 7 L CB 1.584 43.717 42.059 0.123 0.000 1.217 7 L HN -0.313 nan 8.230 nan 0.000 0.420 8 V N 4.492 124.488 119.914 0.137 0.000 2.638 8 V HA 0.453 4.573 4.120 -0.001 0.000 0.306 8 V C -0.630 175.387 176.094 -0.128 0.000 1.052 8 V CA -0.803 61.417 62.300 -0.134 0.000 0.885 8 V CB 1.979 33.438 31.823 -0.607 0.000 0.999 8 V HN 0.763 nan 8.190 nan 0.000 0.424 9 N N 3.084 121.644 118.700 -0.233 0.000 2.457 9 N HA 0.478 5.218 4.740 -0.001 0.000 0.250 9 N C -0.067 175.105 175.510 -0.562 0.000 0.982 9 N CA -0.090 52.790 53.050 -0.283 0.000 0.941 9 N CB 1.326 39.650 38.487 -0.271 0.000 1.120 9 N HN 0.916 nan 8.380 nan 0.000 0.505 10 T N 0.135 114.458 114.554 -0.384 0.000 2.910 10 T HA 0.369 4.718 4.350 -0.001 0.000 0.279 10 T C 1.023 175.465 174.700 -0.430 0.000 0.989 10 T CA -0.513 61.328 62.100 -0.431 0.000 0.968 10 T CB 1.025 69.897 68.868 0.006 0.000 1.135 10 T HN 0.366 nan 8.240 nan 0.000 0.562 11 K N 0.085 120.292 120.400 -0.321 0.000 2.439 11 K HA 0.066 4.385 4.320 -0.001 0.000 0.197 11 K C 1.937 178.391 176.600 -0.243 0.000 1.041 11 K CA 0.636 56.776 56.287 -0.244 0.000 0.970 11 K CB -0.019 32.400 32.500 -0.135 0.000 0.773 11 K HN 0.407 nan 8.250 nan 0.000 0.479 12 S N -0.244 115.295 115.700 -0.268 0.000 2.517 12 S HA 0.191 4.660 4.470 -0.001 0.000 0.214 12 S C 0.500 174.359 174.600 -1.235 0.000 0.991 12 S CA 0.265 58.172 58.200 -0.488 0.000 0.906 12 S CB 0.967 64.072 63.200 -0.158 0.000 0.789 12 S HN 0.544 nan 8.310 nan 0.000 0.513 13 G N 1.059 109.330 108.800 -0.882 0.000 2.369 13 G HA2 0.116 4.075 3.960 -0.001 0.000 0.295 13 G HA3 0.116 4.075 3.960 -0.001 0.000 0.295 13 G C -1.832 172.972 174.900 -0.160 0.000 1.298 13 G CA -1.147 43.427 45.100 -0.876 0.000 0.940 13 G HN 0.097 nan 8.290 nan 0.000 0.536 14 K N -0.608 119.895 120.400 0.172 0.000 2.185 14 K HA 0.634 4.953 4.320 -0.001 0.000 0.271 14 K C -0.396 176.569 176.600 0.608 0.000 1.013 14 K CA -0.528 55.944 56.287 0.308 0.000 0.943 14 K CB 1.886 34.515 32.500 0.215 0.000 0.998 14 K HN 0.376 nan 8.250 nan 0.000 0.468 15 V N 2.936 123.139 119.914 0.482 0.000 2.789 15 V HA 0.347 4.467 4.120 -0.001 0.000 0.311 15 V C -0.859 175.528 176.094 0.489 0.000 1.073 15 V CA -0.981 61.667 62.300 0.580 0.000 0.921 15 V CB 1.753 33.982 31.823 0.677 0.000 1.009 15 V HN 0.758 nan 8.190 nan 0.000 0.426 16 M N 3.824 123.670 119.600 0.411 0.000 2.072 16 M HA 0.751 5.231 4.480 -0.001 0.000 0.331 16 M C 0.224 176.617 176.300 0.155 0.000 1.004 16 M CA 0.163 55.619 55.300 0.259 0.000 0.952 16 M CB 0.897 33.578 32.600 0.135 0.000 1.511 16 M HN 0.776 nan 8.290 nan 0.000 0.422 17 G N 1.678 110.450 108.800 -0.047 0.000 2.509 17 G HA2 0.615 4.575 3.960 -0.001 0.000 0.269 17 G HA3 0.615 4.575 3.960 -0.001 0.000 0.269 17 G C -0.985 173.704 174.900 -0.351 0.000 1.416 17 G CA -0.310 44.460 45.100 -0.550 0.000 1.052 17 G HN 0.676 nan 8.290 nan 0.000 0.542 18 T N -1.831 112.481 114.554 -0.403 0.000 2.894 18 T HA 0.516 4.866 4.350 -0.001 0.000 0.309 18 T C -0.703 173.882 174.700 -0.191 0.000 1.208 18 T CA -0.725 61.239 62.100 -0.227 0.000 1.016 18 T CB 1.533 70.296 68.868 -0.174 0.000 1.192 18 T HN 0.696 nan 8.240 nan 0.000 0.491 19 R N 2.638 123.074 120.500 -0.107 0.000 2.308 19 R HA 0.691 5.031 4.340 -0.001 0.000 0.305 19 R C -0.671 175.639 176.300 0.017 0.000 1.053 19 R CA -0.530 55.546 56.100 -0.039 0.000 0.957 19 R CB 0.623 30.894 30.300 -0.049 0.000 1.022 19 R HN 0.519 nan 8.270 nan 0.000 0.461 20 V N 1.970 121.927 119.914 0.071 0.000 2.656 20 V HA 0.674 4.793 4.120 -0.001 0.000 0.307 20 V C -2.576 173.546 176.094 0.046 0.000 1.051 20 V CA -2.680 59.658 62.300 0.062 0.000 0.893 20 V CB 1.683 33.525 31.823 0.030 0.000 0.999 20 V HN 0.823 nan 8.190 nan 0.000 0.426 21 P HA 0.383 nan 4.420 nan 0.000 0.275 21 P C -0.868 176.243 177.300 -0.315 0.000 1.227 21 P CA -0.072 62.815 63.100 -0.355 0.000 0.781 21 P CB 1.982 33.531 31.700 -0.251 0.000 0.906 22 V N 5.757 125.408 119.914 -0.438 0.000 2.653 22 V HA 0.150 4.269 4.120 -0.001 0.000 0.298 22 V C 0.079 175.916 176.094 -0.429 0.000 1.097 22 V CA -0.804 61.264 62.300 -0.386 0.000 0.908 22 V CB 0.702 32.252 31.823 -0.455 0.000 1.024 22 V HN 0.509 nan 8.190 nan 0.000 0.435 23 L N 6.279 127.404 121.223 -0.163 0.000 3.762 23 L HA -0.226 4.114 4.340 -0.001 0.000 0.460 23 L C 1.074 177.855 176.870 -0.149 0.000 1.255 23 L CA 1.106 55.891 54.840 -0.091 0.000 0.783 23 L CB -1.761 40.319 42.059 0.036 0.000 1.600 23 L HN 1.697 nan 8.230 nan 0.000 0.862 24 S N -3.504 112.088 115.700 -0.181 0.000 3.382 24 S HA -0.244 4.226 4.470 -0.001 0.000 0.293 24 S C 0.234 174.713 174.600 -0.201 0.000 1.262 24 S CA 1.423 59.530 58.200 -0.156 0.000 0.969 24 S CB -1.201 61.966 63.200 -0.056 0.000 1.136 24 S HN 1.032 nan 8.310 nan 0.000 0.635 25 S N -0.583 114.885 115.700 -0.387 0.000 2.971 25 S HA 0.891 5.360 4.470 -0.001 0.000 0.320 25 S C -1.051 173.196 174.600 -0.589 0.000 1.111 25 S CA -0.262 57.744 58.200 -0.323 0.000 0.870 25 S CB 1.241 64.270 63.200 -0.285 0.000 1.331 25 S HN 0.744 nan 8.310 nan 0.000 0.635 26 H N -0.543 118.430 119.070 -0.161 0.000 3.016 26 H HA 0.745 5.301 4.556 -0.001 0.000 0.362 26 H C -0.625 174.698 175.328 -0.010 0.000 1.233 26 H CA -0.322 55.668 56.048 -0.097 0.000 1.124 26 H CB 1.460 31.199 29.762 -0.038 0.000 1.850 26 H HN 0.746 nan 8.280 nan 0.000 0.549 27 I N -2.428 118.238 120.570 0.159 0.000 3.263 27 I HA 0.686 4.855 4.170 -0.001 0.000 0.314 27 I C -1.106 175.107 176.117 0.160 0.000 1.269 27 I CA -1.000 60.414 61.300 0.190 0.000 0.942 27 I CB 2.453 40.592 38.000 0.233 0.000 1.305 27 I HN 0.399 nan 8.210 nan 0.000 0.474 28 S N 1.271 117.080 115.700 0.182 0.000 2.578 28 S HA 0.847 5.317 4.470 -0.001 0.000 0.283 28 S C -0.295 174.337 174.600 0.054 0.000 1.195 28 S CA -0.462 57.781 58.200 0.072 0.000 1.050 28 S CB 1.529 64.828 63.200 0.164 0.000 1.012 28 S HN 0.872 nan 8.310 nan 0.000 0.511 29 A N 1.964 124.642 122.820 -0.236 0.000 2.398 29 A HA 0.779 5.099 4.320 -0.001 0.000 0.301 29 A C -1.486 175.788 177.584 -0.516 0.000 1.041 29 A CA -0.615 51.224 52.037 -0.329 0.000 0.711 29 A CB 0.565 19.376 19.000 -0.315 0.000 1.240 29 A HN 0.639 nan 8.150 nan 0.000 0.420 30 F N 2.784 122.594 119.950 -0.232 0.000 2.430 30 F HA 0.477 5.004 4.527 -0.001 0.000 0.362 30 F C -0.162 175.517 175.800 -0.201 0.000 1.103 30 F CA -0.371 57.577 58.000 -0.086 0.000 1.045 30 F CB 1.337 40.382 39.000 0.076 0.000 1.276 30 F HN 0.373 nan 8.300 nan 0.000 0.444 31 L N 2.069 123.252 121.223 -0.067 0.000 2.334 31 L HA 0.702 5.041 4.340 -0.001 0.000 0.275 31 L C 0.995 177.904 176.870 0.066 0.000 1.036 31 L CA -1.035 53.761 54.840 -0.074 0.000 0.807 31 L CB 1.531 43.470 42.059 -0.200 0.000 1.231 31 L HN 0.821 nan 8.230 nan 0.000 0.438 32 G N 2.925 111.781 108.800 0.093 0.000 2.272 32 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.280 32 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.280 32 G C -0.118 174.878 174.900 0.159 0.000 1.067 32 G CA -0.289 44.867 45.100 0.093 0.000 0.902 32 G HN 0.483 nan 8.290 nan 0.000 0.500 33 I N 2.173 122.759 120.570 0.027 0.000 2.396 33 I HA 0.219 4.389 4.170 -0.001 0.000 0.289 33 I C -1.355 174.556 176.117 -0.344 0.000 1.056 33 I CA -2.082 59.056 61.300 -0.271 0.000 1.365 33 I CB 1.109 38.938 38.000 -0.284 0.000 1.407 33 I HN 0.013 nan 8.210 nan 0.000 0.509 34 P HA 0.052 nan 4.420 nan 0.000 0.276 34 P C -0.330 176.595 177.300 -0.624 0.000 1.230 34 P CA -0.016 62.593 63.100 -0.819 0.000 0.776 34 P CB 0.700 31.820 31.700 -0.968 0.000 0.888 35 F N 0.840 120.446 119.950 -0.573 0.000 2.746 35 F HA 0.741 5.268 4.527 -0.001 0.000 0.320 35 F C -0.096 175.581 175.800 -0.205 0.000 1.097 35 F CA -0.984 56.742 58.000 -0.457 0.000 1.195 35 F CB 0.054 38.770 39.000 -0.473 0.000 1.056 35 F HN 0.370 nan 8.300 nan 0.000 0.562 36 A N -0.043 122.459 122.820 -0.530 0.000 2.609 36 A HA 0.616 4.935 4.320 -0.001 0.000 0.291 36 A C -0.960 176.438 177.584 -0.311 0.000 1.096 36 A CA -0.756 51.102 52.037 -0.297 0.000 0.684 36 A CB 1.083 19.887 19.000 -0.327 0.000 1.282 36 A HN 0.049 nan 8.150 nan 0.000 0.412 37 E N 0.911 121.018 120.200 -0.155 0.000 2.373 37 E HA 0.297 4.647 4.350 -0.001 0.000 0.267 37 E C -2.360 174.141 176.600 -0.165 0.000 1.032 37 E CA -1.467 54.860 56.400 -0.122 0.000 0.889 37 E CB 0.288 29.961 29.700 -0.046 0.000 0.984 37 E HN 0.228 nan 8.360 nan 0.000 0.425 38 P HA 0.009 nan 4.420 nan 0.000 0.261 38 P C -2.211 175.028 177.300 -0.102 0.000 1.203 38 P CA -0.675 62.344 63.100 -0.135 0.000 0.767 38 P CB -0.006 31.653 31.700 -0.069 0.000 0.785 39 P HA -0.003 nan 4.420 nan 0.000 0.226 39 P C -0.331 176.910 177.300 -0.099 0.000 1.783 39 P CA 0.192 63.239 63.100 -0.090 0.000 0.980 39 P CB -0.108 31.542 31.700 -0.083 0.000 1.967 40 V N -2.049 117.814 119.914 -0.085 0.000 2.994 40 V HA 0.894 5.014 4.120 -0.001 0.000 0.318 40 V C 0.946 176.994 176.094 -0.077 0.000 1.085 40 V CA 0.086 62.333 62.300 -0.088 0.000 0.998 40 V CB 0.858 32.639 31.823 -0.070 0.000 1.063 40 V HN 0.570 nan 8.190 nan 0.000 0.447 41 G N 2.314 111.065 108.800 -0.082 0.000 2.591 41 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.298 41 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.298 41 G C 0.586 175.441 174.900 -0.075 0.000 1.195 41 G CA 1.068 46.126 45.100 -0.070 0.000 0.989 41 G HN 1.092 nan 8.290 nan 0.000 0.551 42 N N 0.503 119.175 118.700 -0.046 0.000 2.519 42 N HA 0.086 4.826 4.740 -0.001 0.000 0.186 42 N C 2.263 177.760 175.510 -0.021 0.000 1.062 42 N CA 1.376 54.410 53.050 -0.025 0.000 0.910 42 N CB -0.151 38.334 38.487 -0.003 0.000 0.958 42 N HN 0.529 nan 8.380 nan 0.000 0.445 43 M N -0.415 119.160 119.600 -0.041 0.000 2.595 43 M HA 0.027 4.507 4.480 -0.001 0.000 0.248 43 M C 0.590 176.846 176.300 -0.074 0.000 1.119 43 M CA 0.009 55.286 55.300 -0.038 0.000 1.079 43 M CB 0.252 32.829 32.600 -0.039 0.000 1.472 43 M HN -0.000 nan 8.290 nan 0.000 0.501 44 R N 0.672 121.077 120.500 -0.158 0.000 2.522 44 R HA -0.068 4.272 4.340 -0.001 0.000 0.284 44 R C -0.419 175.686 176.300 -0.326 0.000 1.032 44 R CA 0.671 56.552 56.100 -0.366 0.000 1.049 44 R CB 0.172 30.115 30.300 -0.595 0.000 0.956 44 R HN 0.244 nan 8.270 nan 0.000 0.422 45 F N -0.484 119.472 119.950 0.010 0.000 2.502 45 F HA -0.282 4.245 4.527 -0.001 0.000 0.480 45 F C 0.516 176.301 175.800 -0.026 0.000 0.543 45 F CA 0.813 58.796 58.000 -0.028 0.000 1.350 45 F CB -1.411 37.560 39.000 -0.048 0.000 1.999 45 F HN 0.625 nan 8.300 nan 0.000 0.267 46 R N 1.251 121.820 120.500 0.114 0.000 2.560 46 R HA 0.508 4.847 4.340 -0.001 0.000 0.270 46 R C 0.673 177.000 176.300 0.044 0.000 1.074 46 R CA -0.838 55.304 56.100 0.071 0.000 1.140 46 R CB 0.577 30.904 30.300 0.045 0.000 1.073 46 R HN 0.098 nan 8.270 nan 0.000 0.527 47 R N 2.120 122.645 120.500 0.042 0.000 2.679 47 R HA 0.058 4.397 4.340 -0.001 0.000 0.268 47 R C -1.893 174.430 176.300 0.038 0.000 1.044 47 R CA -1.007 55.117 56.100 0.041 0.000 1.105 47 R CB -0.094 30.235 30.300 0.048 0.000 0.989 47 R HN 0.419 nan 8.270 nan 0.000 0.447 48 P HA 0.067 nan 4.420 nan 0.000 0.274 48 P C -0.881 176.449 177.300 0.050 0.000 1.231 48 P CA 0.005 63.132 63.100 0.046 0.000 0.790 48 P CB 0.913 32.664 31.700 0.085 0.000 0.951 49 E N 1.907 122.126 120.200 0.031 0.000 2.195 49 E HA 0.434 4.784 4.350 -0.001 0.000 0.271 49 E C -2.347 174.282 176.600 0.048 0.000 0.923 49 E CA -2.520 53.903 56.400 0.039 0.000 0.790 49 E CB 0.607 30.321 29.700 0.023 0.000 1.155 49 E HN 0.299 nan 8.360 nan 0.000 0.402 50 P HA -0.030 nan 4.420 nan 0.000 0.266 50 P C -0.343 177.005 177.300 0.080 0.000 1.195 50 P CA -0.079 63.084 63.100 0.106 0.000 0.768 50 P CB 0.434 32.200 31.700 0.111 0.000 0.838 51 K N 3.483 123.938 120.400 0.092 0.000 2.412 51 K HA 0.070 4.390 4.320 -0.001 0.000 0.281 51 K C -0.242 176.442 176.600 0.140 0.000 1.027 51 K CA 0.266 56.599 56.287 0.077 0.000 0.989 51 K CB 0.011 32.546 32.500 0.058 0.000 0.935 51 K HN 0.219 nan 8.250 nan 0.000 0.475 52 K N 5.874 126.353 120.400 0.133 0.000 2.401 52 K HA 0.131 4.450 4.320 -0.001 0.000 0.278 52 K C -2.180 174.529 176.600 0.181 0.000 1.018 52 K CA -1.581 54.783 56.287 0.130 0.000 0.981 52 K CB 0.284 32.853 32.500 0.114 0.000 0.933 52 K HN 0.530 nan 8.250 nan 0.000 0.477 53 P HA -0.083 nan 4.420 nan 0.000 0.267 53 P C -1.281 176.057 177.300 0.062 0.000 1.201 53 P CA 0.071 63.107 63.100 -0.106 0.000 0.775 53 P CB 0.273 31.884 31.700 -0.149 0.000 0.854 54 W N 0.506 121.875 121.300 0.116 0.000 2.781 54 W HA 0.730 5.390 4.660 -0.001 0.000 0.345 54 W C -0.956 175.635 176.519 0.120 0.000 1.085 54 W CA -0.765 56.665 57.345 0.141 0.000 1.198 54 W CB 0.246 29.849 29.460 0.239 0.000 1.423 54 W HN 0.099 nan 8.180 nan 0.000 0.532 55 S N 1.217 117.109 115.700 0.320 0.000 2.672 55 S HA 0.784 5.254 4.470 -0.001 0.000 0.276 55 S C 0.471 175.265 174.600 0.324 0.000 1.207 55 S CA 0.588 58.913 58.200 0.208 0.000 1.002 55 S CB 0.908 64.186 63.200 0.131 0.000 0.998 55 S HN 1.516 nan 8.310 nan 0.000 0.542 56 G N 0.012 108.948 108.800 0.226 0.000 2.681 56 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.220 56 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.220 56 G C -1.023 174.069 174.900 0.320 0.000 1.353 56 G CA -0.462 44.769 45.100 0.218 0.000 0.872 56 G HN 0.947 nan 8.290 nan 0.000 0.557 57 V N 0.726 120.783 119.914 0.239 0.000 2.417 57 V HA 0.524 4.644 4.120 -0.001 0.000 0.291 57 V C 0.246 176.464 176.094 0.207 0.000 1.024 57 V CA -0.536 61.928 62.300 0.274 0.000 0.861 57 V CB 1.802 33.723 31.823 0.164 0.000 0.985 57 V HN 0.728 nan 8.190 nan 0.000 0.436 58 W N 5.569 126.953 121.300 0.140 0.000 2.345 58 W HA 0.238 4.898 4.660 -0.001 0.000 0.308 58 W C 0.227 176.740 176.519 -0.011 0.000 1.273 58 W CA -0.468 56.805 57.345 -0.121 0.000 1.243 58 W CB 0.910 30.126 29.460 -0.407 0.000 1.260 58 W HN 0.631 nan 8.180 nan 0.000 0.509 59 N N 4.866 123.331 118.700 -0.391 0.000 2.402 59 N HA 0.146 4.886 4.740 -0.001 0.000 0.259 59 N C -0.418 175.079 175.510 -0.023 0.000 1.167 59 N CA 0.249 53.191 53.050 -0.179 0.000 0.949 59 N CB 0.798 39.119 38.487 -0.276 0.000 1.212 59 N HN 0.395 nan 8.380 nan 0.000 0.493 60 A N 2.840 125.777 122.820 0.194 0.000 3.264 60 A HA 0.179 4.498 4.320 -0.001 0.000 0.299 60 A C 1.087 178.686 177.584 0.026 0.000 1.272 60 A CA -0.440 51.737 52.037 0.233 0.000 1.030 60 A CB -0.456 18.778 19.000 0.391 0.000 1.102 60 A HN 0.627 nan 8.150 nan 0.000 0.615 61 S N -0.965 114.707 115.700 -0.046 0.000 2.524 61 S HA 0.170 4.640 4.470 -0.001 0.000 0.215 61 S C 0.711 175.225 174.600 -0.143 0.000 0.986 61 S CA 0.563 58.693 58.200 -0.116 0.000 0.911 61 S CB -0.246 62.889 63.200 -0.107 0.000 0.805 61 S HN 0.855 nan 8.310 nan 0.000 0.501 62 T N -0.909 113.577 114.554 -0.113 0.000 2.909 62 T HA 0.628 4.977 4.350 -0.001 0.000 0.299 62 T C -0.852 173.818 174.700 -0.050 0.000 1.073 62 T CA -0.744 61.284 62.100 -0.120 0.000 0.999 62 T CB 0.723 69.541 68.868 -0.083 0.000 1.098 62 T HN 0.059 nan 8.240 nan 0.000 0.477 63 Y N 3.086 123.356 120.300 -0.051 0.000 2.683 63 Y HA 0.291 4.841 4.550 -0.001 0.000 0.340 63 Y C -1.304 174.533 175.900 -0.105 0.000 1.245 63 Y CA -1.198 56.872 58.100 -0.050 0.000 1.485 63 Y CB 0.035 38.487 38.460 -0.013 0.000 1.328 63 Y HN 0.564 nan 8.280 nan 0.000 0.603 64 P HA 0.118 nan 4.420 nan 0.000 0.293 64 P C -0.626 176.592 177.300 -0.135 0.000 1.304 64 P CA -0.525 62.447 63.100 -0.213 0.000 0.767 64 P CB 0.985 32.448 31.700 -0.396 0.000 1.247 65 N N -0.026 118.566 118.700 -0.179 0.000 2.381 65 N HA 0.139 4.879 4.740 -0.001 0.000 0.254 65 N C -0.017 175.459 175.510 -0.057 0.000 1.264 65 N CA 0.067 53.061 53.050 -0.094 0.000 0.942 65 N CB -0.089 38.351 38.487 -0.078 0.000 1.190 65 N HN 0.416 nan 8.380 nan 0.000 0.495 66 N N -0.739 117.923 118.700 -0.064 0.000 2.456 66 N HA 0.440 5.179 4.740 -0.001 0.000 0.296 66 N C 0.158 175.630 175.510 -0.063 0.000 1.102 66 N CA -0.759 52.251 53.050 -0.067 0.000 0.924 66 N CB 1.139 39.563 38.487 -0.104 0.000 1.186 66 N HN 0.633 nan 8.380 nan 0.000 0.492 67 C N 1.104 120.371 119.300 -0.054 0.000 2.703 67 C HA 0.094 4.554 4.460 -0.001 0.000 0.411 67 C C 0.937 175.855 174.990 -0.120 0.000 1.290 67 C CA -0.061 58.908 59.018 -0.082 0.000 2.054 67 C CB -0.179 27.541 27.740 -0.034 0.000 2.732 67 C HN 0.514 nan 8.230 nan 0.000 0.650 68 Q N 2.392 122.045 119.800 -0.245 0.000 2.330 68 Q HA 0.381 4.721 4.340 -0.001 0.000 0.279 68 Q C -0.077 175.907 176.000 -0.027 0.000 1.024 68 Q CA 1.085 56.739 55.803 -0.249 0.000 0.900 68 Q CB 0.742 29.088 28.738 -0.654 0.000 1.221 68 Q HN 0.931 nan 8.270 nan 0.000 0.396 69 Q N 1.079 120.938 119.800 0.098 0.000 2.633 69 Q HA 0.299 4.638 4.340 -0.001 0.000 0.289 69 Q C -1.312 174.865 176.000 0.295 0.000 0.940 69 Q CA -0.996 54.953 55.803 0.244 0.000 0.785 69 Q CB 0.676 29.520 28.738 0.177 0.000 1.467 69 Q HN 0.474 nan 8.270 nan 0.000 0.401 70 Y N 0.970 121.456 120.300 0.310 0.000 2.578 70 Y HA 0.387 4.937 4.550 -0.001 0.000 0.339 70 Y C -1.054 175.023 175.900 0.296 0.000 1.231 70 Y CA 0.309 58.615 58.100 0.344 0.000 1.461 70 Y CB 0.958 39.719 38.460 0.502 0.000 1.323 70 Y HN 0.445 nan 8.280 nan 0.000 0.590 71 V N 6.454 126.043 119.914 -0.542 0.000 2.444 71 V HA 0.135 4.255 4.120 -0.001 0.000 0.294 71 V C -0.793 174.988 176.094 -0.522 0.000 1.022 71 V CA -1.108 60.990 62.300 -0.337 0.000 0.850 71 V CB 1.449 33.183 31.823 -0.149 0.000 0.992 71 V HN 0.794 nan 8.190 nan 0.000 0.426 72 D N 3.791 124.105 120.400 -0.142 0.000 2.401 72 D HA 0.097 4.737 4.640 -0.001 0.000 0.254 72 D C 0.572 176.923 176.300 0.085 0.000 1.192 72 D CA 0.520 54.569 54.000 0.081 0.000 0.885 72 D CB 0.897 41.913 40.800 0.360 0.000 1.147 72 D HN 0.683 nan 8.370 nan 0.000 0.478 73 E N 2.396 122.623 120.200 0.045 0.000 2.693 73 E HA -0.033 4.317 4.350 -0.001 0.000 0.214 73 E C 0.771 177.352 176.600 -0.031 0.000 0.990 73 E CA -0.128 56.288 56.400 0.026 0.000 1.047 73 E CB 0.633 30.323 29.700 -0.015 0.000 1.039 73 E HN 0.389 nan 8.360 nan 0.000 0.475 74 Q N -0.033 119.719 119.800 -0.079 0.000 2.170 74 Q HA -0.070 4.269 4.340 -0.001 0.000 0.203 74 Q C -0.252 175.273 176.000 -0.792 0.000 0.976 74 Q CA 1.341 56.846 55.803 -0.498 0.000 0.858 74 Q CB 0.188 28.464 28.738 -0.769 0.000 0.907 74 Q HN 0.113 nan 8.270 nan 0.000 0.433 75 F N 0.376 120.382 119.950 0.094 0.000 2.622 75 F HA 0.412 4.938 4.527 -0.001 0.000 0.338 75 F C -2.254 173.617 175.800 0.117 0.000 1.334 75 F CA -3.021 55.015 58.000 0.060 0.000 1.179 75 F CB 1.091 40.122 39.000 0.052 0.000 1.471 75 F HN -0.137 nan 8.300 nan 0.000 0.576 76 P HA 0.144 nan 4.420 nan 0.000 0.258 76 P C 1.035 178.416 177.300 0.135 0.000 1.172 76 P CA 1.440 64.612 63.100 0.121 0.000 0.762 76 P CB 0.590 32.326 31.700 0.059 0.000 0.764 77 G N 3.281 112.152 108.800 0.120 0.000 2.299 77 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.237 77 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.237 77 G C 0.118 175.087 174.900 0.116 0.000 1.027 77 G CA -0.406 44.748 45.100 0.089 0.000 0.619 77 G HN 0.538 nan 8.290 nan 0.000 0.513 78 F N 3.828 123.773 119.950 -0.009 0.000 2.557 78 F HA 0.422 4.948 4.527 -0.001 0.000 0.384 78 F C 1.825 177.557 175.800 -0.112 0.000 1.057 78 F CA 0.307 58.249 58.000 -0.095 0.000 1.169 78 F CB 0.875 39.810 39.000 -0.109 0.000 1.070 78 F HN 0.343 nan 8.300 nan 0.000 0.554 79 S N 3.504 118.847 115.700 -0.594 0.000 2.399 79 S HA -0.121 4.348 4.470 -0.001 0.000 0.231 79 S C 2.300 176.475 174.600 -0.708 0.000 1.022 79 S CA 0.831 58.704 58.200 -0.544 0.000 0.983 79 S CB -1.242 61.689 63.200 -0.448 0.000 0.803 79 S HN 0.810 nan 8.310 nan 0.000 0.480 80 G N 1.975 109.848 108.800 -1.545 0.000 2.469 80 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.219 80 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.219 80 G C 1.758 176.755 174.900 0.163 0.000 1.150 80 G CA 1.576 45.979 45.100 -1.162 0.000 0.763 80 G HN 0.816 nan 8.290 nan 0.000 0.561 81 S N -0.284 115.577 115.700 0.267 0.000 2.468 81 S HA 0.137 4.606 4.470 -0.001 0.000 0.226 81 S C 1.849 176.724 174.600 0.458 0.000 1.051 81 S CA 0.819 59.516 58.200 0.828 0.000 0.943 81 S CB -0.036 63.791 63.200 1.044 0.000 0.810 81 S HN 0.466 nan 8.310 nan 0.000 0.509 82 E N 1.866 122.174 120.200 0.180 0.000 2.338 82 E HA -0.042 4.308 4.350 -0.001 0.000 0.197 82 E C 1.968 178.522 176.600 -0.077 0.000 1.007 82 E CA 1.133 57.573 56.400 0.067 0.000 0.849 82 E CB -0.430 29.280 29.700 0.018 0.000 0.774 82 E HN 0.831 nan 8.360 nan 0.000 0.506 83 M N -1.873 117.587 119.600 -0.234 0.000 2.549 83 M HA -0.053 4.427 4.480 -0.001 0.000 0.260 83 M C 0.947 176.864 176.300 -0.637 0.000 1.076 83 M CA 1.303 56.304 55.300 -0.499 0.000 1.090 83 M CB -0.266 31.911 32.600 -0.704 0.000 1.418 83 M HN 0.040 nan 8.290 nan 0.000 0.486 84 W N 0.812 122.069 121.300 -0.073 0.000 3.013 84 W HA 0.270 4.930 4.660 -0.001 0.000 0.280 84 W C 0.499 176.950 176.519 -0.114 0.000 1.249 84 W CA -0.884 56.387 57.345 -0.123 0.000 1.577 84 W CB -0.067 29.350 29.460 -0.071 0.000 1.057 84 W HN 0.097 nan 8.180 nan 0.000 0.613 85 N N 1.628 120.389 118.700 0.101 0.000 2.444 85 N HA 0.100 4.839 4.740 -0.001 0.000 0.255 85 N C -2.453 173.031 175.510 -0.043 0.000 1.255 85 N CA -1.229 51.845 53.050 0.041 0.000 0.933 85 N CB -0.312 38.202 38.487 0.044 0.000 1.143 85 N HN -0.330 nan 8.380 nan 0.000 0.453 86 P HA 0.042 nan 4.420 nan 0.000 0.264 86 P C 0.220 177.468 177.300 -0.087 0.000 1.193 86 P CA 0.039 63.085 63.100 -0.090 0.000 0.763 86 P CB 0.292 31.949 31.700 -0.073 0.000 0.810 87 N N 2.279 120.912 118.700 -0.112 0.000 2.214 87 N HA 0.067 4.807 4.740 -0.001 0.000 0.214 87 N C 0.130 175.597 175.510 -0.071 0.000 1.132 87 N CA 0.068 53.062 53.050 -0.093 0.000 0.856 87 N CB 0.331 38.750 38.487 -0.113 0.000 1.020 87 N HN 0.158 nan 8.380 nan 0.000 0.509 88 R N -0.003 120.452 120.500 -0.076 0.000 2.888 88 R HA 0.344 4.684 4.340 -0.001 0.000 0.264 88 R C -0.656 175.610 176.300 -0.057 0.000 1.045 88 R CA -0.774 55.291 56.100 -0.058 0.000 0.962 88 R CB 0.837 31.098 30.300 -0.066 0.000 1.210 88 R HN 0.091 nan 8.270 nan 0.000 0.479 89 E N 1.110 121.280 120.200 -0.050 0.000 2.413 89 E HA 0.030 4.379 4.350 -0.001 0.000 0.263 89 E C -0.184 176.381 176.600 -0.058 0.000 1.015 89 E CA 0.493 56.864 56.400 -0.049 0.000 0.916 89 E CB 0.527 30.199 29.700 -0.047 0.000 0.947 89 E HN 0.230 nan 8.360 nan 0.000 0.440 90 M N 2.058 121.624 119.600 -0.057 0.000 2.274 90 M HA 0.300 4.780 4.480 -0.001 0.000 0.344 90 M C -0.229 176.023 176.300 -0.081 0.000 1.161 90 M CA -0.088 55.169 55.300 -0.070 0.000 1.126 90 M CB 1.506 34.067 32.600 -0.066 0.000 1.522 90 M HN 0.396 nan 8.290 nan 0.000 0.461 91 S N 0.470 116.110 115.700 -0.101 0.000 2.543 91 S HA 0.220 4.689 4.470 -0.001 0.000 0.274 91 S C 0.013 174.523 174.600 -0.150 0.000 1.149 91 S CA -0.674 57.462 58.200 -0.107 0.000 0.866 91 S CB 1.508 64.671 63.200 -0.062 0.000 1.111 91 S HN 0.838 nan 8.310 nan 0.000 0.457 92 E N 0.974 121.059 120.200 -0.191 0.000 2.268 92 E HA -0.078 4.271 4.350 -0.001 0.000 0.195 92 E C -0.250 176.273 176.600 -0.128 0.000 0.995 92 E CA 0.555 56.813 56.400 -0.236 0.000 0.836 92 E CB 0.115 29.665 29.700 -0.250 0.000 0.763 92 E HN 0.546 nan 8.360 nan 0.000 0.491 93 D N -0.416 119.945 120.400 -0.064 0.000 2.508 93 D HA 0.044 4.683 4.640 -0.001 0.000 0.224 93 D C -0.174 176.204 176.300 0.129 0.000 1.171 93 D CA -0.058 53.948 54.000 0.010 0.000 1.006 93 D CB 0.046 40.875 40.800 0.048 0.000 1.073 93 D HN 0.260 nan 8.370 nan 0.000 0.513 94 C N 4.688 124.033 119.300 0.075 0.000 3.722 94 C HA 0.323 4.783 4.460 -0.001 0.000 0.279 94 C C 0.665 175.726 174.990 0.118 0.000 1.819 94 C CA -0.495 58.637 59.018 0.190 0.000 1.744 94 C CB -0.585 27.190 27.740 0.059 0.000 3.247 94 C HN 0.507 nan 8.230 nan 0.000 0.549 95 L N 2.276 123.311 121.223 -0.312 0.000 2.387 95 L HA 0.432 4.772 4.340 -0.001 0.000 0.267 95 L C -0.894 175.219 176.870 -1.262 0.000 1.197 95 L CA 0.241 54.647 54.840 -0.724 0.000 1.070 95 L CB -0.795 40.709 42.059 -0.926 0.000 1.349 95 L HN 0.472 nan 8.230 nan 0.000 0.422 96 Y N 2.024 122.141 120.300 -0.306 0.000 2.609 96 Y HA 0.670 5.220 4.550 -0.001 0.000 0.342 96 Y C -0.121 175.909 175.900 0.216 0.000 1.058 96 Y CA -1.295 56.725 58.100 -0.133 0.000 1.055 96 Y CB 1.875 40.276 38.460 -0.098 0.000 1.292 96 Y HN 0.208 nan 8.280 nan 0.000 0.476 97 L N -0.260 121.139 121.223 0.293 0.000 2.327 97 L HA 0.790 5.129 4.340 -0.001 0.000 0.258 97 L C -1.332 175.592 176.870 0.091 0.000 1.024 97 L CA -1.075 53.884 54.840 0.198 0.000 0.825 97 L CB 1.912 44.017 42.059 0.077 0.000 1.386 97 L HN 0.476 nan 8.230 nan 0.000 0.417 98 N N 1.406 120.157 118.700 0.085 0.000 2.238 98 N HA 0.707 5.447 4.740 -0.001 0.000 0.302 98 N C -1.367 174.064 175.510 -0.133 0.000 1.072 98 N CA -0.214 52.791 53.050 -0.076 0.000 0.792 98 N CB 2.714 41.139 38.487 -0.103 0.000 1.425 98 N HN 0.654 nan 8.380 nan 0.000 0.478 99 I N 0.531 120.944 120.570 -0.262 0.000 2.499 99 I HA 0.385 4.555 4.170 -0.001 0.000 0.288 99 I C -0.771 175.290 176.117 -0.092 0.000 1.048 99 I CA -0.706 60.532 61.300 -0.103 0.000 1.062 99 I CB 2.229 40.094 38.000 -0.225 0.000 1.238 99 I HN 0.242 nan 8.210 nan 0.000 0.426 100 W N 6.018 127.451 121.300 0.222 0.000 2.417 100 W HA 0.561 5.221 4.660 -0.001 0.000 0.315 100 W C -0.992 175.668 176.519 0.234 0.000 1.045 100 W CA -0.621 56.856 57.345 0.220 0.000 1.221 100 W CB 2.085 31.645 29.460 0.167 0.000 1.309 100 W HN 0.090 nan 8.180 nan 0.000 0.453 101 V N 5.323 125.510 119.914 0.455 0.000 2.448 101 V HA 0.299 4.419 4.120 -0.001 0.000 0.295 101 V C -1.964 174.329 176.094 0.331 0.000 1.025 101 V CA -2.371 60.162 62.300 0.389 0.000 0.859 101 V CB 1.874 33.982 31.823 0.474 0.000 0.988 101 V HN 0.252 nan 8.190 nan 0.000 0.431 102 P HA 0.136 nan 4.420 nan 0.000 0.270 102 P C -0.571 176.863 177.300 0.223 0.000 1.227 102 P CA 0.100 63.344 63.100 0.240 0.000 0.788 102 P CB 0.518 32.326 31.700 0.180 0.000 0.926 103 S N 0.664 116.491 115.700 0.211 0.000 2.594 103 S HA 0.533 5.002 4.470 -0.001 0.000 0.296 103 S C -2.562 172.129 174.600 0.151 0.000 1.124 103 S CA -1.463 56.843 58.200 0.176 0.000 1.011 103 S CB 0.161 63.463 63.200 0.170 0.000 1.016 103 S HN 0.266 nan 8.310 nan 0.000 0.485 104 P HA 0.163 nan 4.420 nan 0.000 0.269 104 P C -0.484 176.890 177.300 0.123 0.000 1.209 104 P CA -0.539 62.627 63.100 0.110 0.000 0.776 104 P CB 0.389 32.139 31.700 0.084 0.000 0.876 105 R N 2.909 123.490 120.500 0.135 0.000 2.504 105 R HA 0.076 4.415 4.340 -0.001 0.000 0.291 105 R C -1.931 174.437 176.300 0.113 0.000 0.974 105 R CA -0.843 55.347 56.100 0.150 0.000 1.077 105 R CB -0.431 29.963 30.300 0.158 0.000 0.926 105 R HN 0.362 nan 8.270 nan 0.000 0.407 106 P HA 0.061 nan 4.420 nan 0.000 0.273 106 P C -0.186 177.151 177.300 0.062 0.000 1.250 106 P CA -0.372 62.777 63.100 0.081 0.000 0.793 106 P CB 0.675 32.425 31.700 0.084 0.000 1.011 107 K N -0.628 119.795 120.400 0.039 0.000 2.214 107 K HA 0.151 4.471 4.320 -0.001 0.000 0.201 107 K C 0.577 177.177 176.600 -0.001 0.000 1.049 107 K CA 0.942 57.239 56.287 0.018 0.000 0.978 107 K CB -0.201 32.306 32.500 0.012 0.000 0.842 107 K HN 0.325 nan 8.250 nan 0.000 0.474 108 S N 1.022 116.723 115.700 0.002 0.000 2.680 108 S HA 0.133 4.602 4.470 -0.001 0.000 0.140 108 S C -1.009 173.590 174.600 -0.002 0.000 1.357 108 S CA -0.347 57.844 58.200 -0.015 0.000 1.201 108 S CB 0.289 63.471 63.200 -0.031 0.000 1.547 108 S HN 0.144 nan 8.310 nan 0.000 0.411 109 T N 1.814 116.378 114.554 0.016 0.000 2.944 109 T HA 0.555 4.904 4.350 -0.001 0.000 0.284 109 T C 0.239 174.950 174.700 0.019 0.000 1.010 109 T CA -0.001 62.113 62.100 0.022 0.000 1.025 109 T CB 1.062 69.956 68.868 0.044 0.000 1.079 109 T HN 0.429 nan 8.240 nan 0.000 0.516 110 T N 2.492 117.053 114.554 0.011 0.000 2.934 110 T HA 0.291 4.640 4.350 -0.001 0.000 0.306 110 T C -0.229 174.488 174.700 0.029 0.000 1.042 110 T CA -0.195 61.907 62.100 0.003 0.000 1.145 110 T CB 0.195 69.053 68.868 -0.017 0.000 0.982 110 T HN 0.413 nan 8.240 nan 0.000 0.544 111 V N 5.031 124.965 119.914 0.033 0.000 2.513 111 V HA 0.517 4.637 4.120 -0.001 0.000 0.299 111 V C 0.008 176.148 176.094 0.077 0.000 1.035 111 V CA -0.773 61.570 62.300 0.071 0.000 0.889 111 V CB 1.706 33.574 31.823 0.076 0.000 0.988 111 V HN 0.834 nan 8.190 nan 0.000 0.440 112 M N 4.363 124.037 119.600 0.124 0.000 2.197 112 M HA 0.525 5.004 4.480 -0.001 0.000 0.301 112 M C -1.345 175.184 176.300 0.381 0.000 0.987 112 M CA -0.588 54.803 55.300 0.152 0.000 0.921 112 M CB 2.197 34.772 32.600 -0.041 0.000 1.569 112 M HN 0.359 nan 8.290 nan 0.000 0.431 113 V N 3.319 123.494 119.914 0.435 0.000 2.347 113 V HA 0.326 4.445 4.120 -0.001 0.000 0.280 113 V C -0.703 175.693 176.094 0.504 0.000 1.021 113 V CA -0.598 61.946 62.300 0.405 0.000 0.847 113 V CB 1.344 33.279 31.823 0.186 0.000 0.990 113 V HN 0.857 nan 8.190 nan 0.000 0.444 114 W N 7.056 128.476 121.300 0.200 0.000 2.316 114 W HA 0.615 5.275 4.660 -0.001 0.000 0.311 114 W C -1.276 175.140 176.519 -0.171 0.000 1.217 114 W CA -0.760 56.438 57.345 -0.244 0.000 1.199 114 W CB 1.184 30.528 29.460 -0.194 0.000 1.202 114 W HN 0.437 nan 8.180 nan 0.000 0.528 115 I N 9.343 129.302 120.570 -1.018 0.000 2.390 115 I HA 0.054 4.224 4.170 -0.001 0.000 0.283 115 I C -0.218 175.145 176.117 -1.256 0.000 1.016 115 I CA -1.109 59.673 61.300 -0.863 0.000 1.151 115 I CB 0.563 38.232 38.000 -0.552 0.000 1.293 115 I HN 0.297 nan 8.210 nan 0.000 0.458 116 Y N 4.638 124.447 120.300 -0.819 0.000 2.550 116 Y HA 0.594 5.144 4.550 -0.001 0.000 0.343 116 Y C 0.773 176.493 175.900 -0.300 0.000 1.245 116 Y CA -0.780 56.960 58.100 -0.601 0.000 1.462 116 Y CB -0.134 38.207 38.460 -0.199 0.000 1.340 116 Y HN 0.513 nan 8.280 nan 0.000 0.604 117 G N -0.706 108.113 108.800 0.030 0.000 2.606 117 G HA2 0.497 4.456 3.960 -0.001 0.000 0.262 117 G HA3 0.497 4.456 3.960 -0.001 0.000 0.262 117 G C 0.296 175.137 174.900 -0.097 0.000 1.394 117 G CA -0.924 44.120 45.100 -0.094 0.000 1.044 117 G HN 1.737 nan 8.290 nan 0.000 0.553 118 G N -2.838 105.743 108.800 -0.365 0.000 2.207 118 G HA2 0.404 4.364 3.960 -0.001 0.000 0.193 118 G HA3 0.404 4.364 3.960 -0.001 0.000 0.193 118 G C 1.042 175.369 174.900 -0.956 0.000 1.050 118 G CA 0.704 45.449 45.100 -0.592 0.000 0.780 118 G HN 2.306 nan 8.290 nan 0.000 0.504 119 G N -0.453 107.815 108.800 -0.886 0.000 2.233 119 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.270 119 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.270 119 G C 0.923 175.572 174.900 -0.418 0.000 1.011 119 G CA 0.804 45.252 45.100 -1.087 0.000 0.762 119 G HN 1.750 nan 8.290 nan 0.000 0.511 120 F N -3.411 116.433 119.950 -0.177 0.000 2.871 120 F HA -0.315 4.211 4.527 -0.001 0.000 0.326 120 F C 1.464 177.327 175.800 0.105 0.000 0.675 120 F CA 2.183 60.172 58.000 -0.019 0.000 1.188 120 F CB -2.053 36.791 39.000 -0.260 0.000 1.567 120 F HN 0.931 nan 8.300 nan 0.000 0.325 121 Y N -1.175 119.171 120.300 0.076 0.000 2.500 121 Y HA 0.662 5.211 4.550 -0.001 0.000 0.246 121 Y C 0.604 176.585 175.900 0.135 0.000 1.146 121 Y CA 0.197 58.364 58.100 0.112 0.000 1.230 121 Y CB -0.045 38.389 38.460 -0.043 0.000 1.214 121 Y HN 0.092 nan 8.280 nan 0.000 0.526 122 S N -0.859 114.670 115.700 -0.285 0.000 2.727 122 S HA 0.877 5.347 4.470 -0.001 0.000 0.278 122 S C -0.195 174.249 174.600 -0.260 0.000 1.186 122 S CA -0.535 57.544 58.200 -0.201 0.000 0.836 122 S CB 1.384 64.421 63.200 -0.271 0.000 1.186 122 S HN 1.343 nan 8.310 nan 0.000 0.499 123 G N -0.393 108.218 108.800 -0.316 0.000 2.528 123 G HA2 0.421 4.380 3.960 -0.001 0.000 0.681 123 G HA3 0.421 4.380 3.960 -0.001 0.000 0.681 123 G C -0.991 173.289 174.900 -1.033 0.000 1.340 123 G CA -0.321 44.411 45.100 -0.612 0.000 0.855 123 G HN 1.402 nan 8.290 nan 0.000 0.649 124 S N -0.799 114.293 115.700 -1.012 0.000 2.541 124 S HA 0.703 5.172 4.470 -0.001 0.000 0.271 124 S C 0.906 175.342 174.600 -0.273 0.000 1.133 124 S CA 0.072 57.881 58.200 -0.652 0.000 0.876 124 S CB 1.832 64.856 63.200 -0.293 0.000 1.105 124 S HN 1.961 nan 8.310 nan 0.000 0.470 125 S N -0.238 115.490 115.700 0.046 0.000 2.558 125 S HA -0.033 4.437 4.470 -0.001 0.000 0.217 125 S C 1.321 176.024 174.600 0.171 0.000 0.975 125 S CA 0.732 59.149 58.200 0.362 0.000 0.912 125 S CB -0.568 62.885 63.200 0.421 0.000 0.776 125 S HN 0.839 nan 8.310 nan 0.000 0.526 126 T N 0.010 114.476 114.554 -0.148 0.000 3.086 126 T HA 0.408 4.757 4.350 -0.001 0.000 0.250 126 T C 0.509 174.962 174.700 -0.412 0.000 1.074 126 T CA -0.548 61.177 62.100 -0.625 0.000 0.988 126 T CB -0.578 67.745 68.868 -0.908 0.000 0.988 126 T HN 0.315 nan 8.240 nan 0.000 0.530 127 L N 2.057 123.130 121.223 -0.251 0.000 2.499 127 L HA 0.150 4.489 4.340 -0.001 0.000 0.281 127 L C 1.353 178.008 176.870 -0.359 0.000 1.234 127 L CA -0.483 54.123 54.840 -0.390 0.000 0.839 127 L CB 0.346 41.988 42.059 -0.696 0.000 1.104 127 L HN 0.090 nan 8.230 nan 0.000 0.500 128 D N 1.042 121.245 120.400 -0.330 0.000 2.178 128 D HA -0.132 4.507 4.640 -0.001 0.000 0.201 128 D C 1.974 178.082 176.300 -0.320 0.000 0.980 128 D CA 1.305 55.168 54.000 -0.227 0.000 0.842 128 D CB -0.054 40.628 40.800 -0.197 0.000 0.948 128 D HN 0.527 nan 8.370 nan 0.000 0.472 129 V N -1.153 118.419 119.914 -0.570 0.000 3.078 129 V HA -0.158 3.961 4.120 -0.001 0.000 0.265 129 V C 1.199 176.839 176.094 -0.758 0.000 1.122 129 V CA 1.015 62.935 62.300 -0.633 0.000 1.141 129 V CB -1.111 30.221 31.823 -0.818 0.000 0.735 129 V HN 0.055 nan 8.190 nan 0.000 0.498 130 Y N 0.040 119.924 120.300 -0.693 0.000 2.555 130 Y HA 0.432 4.982 4.550 -0.001 0.000 0.259 130 Y C 1.056 176.606 175.900 -0.583 0.000 1.179 130 Y CA -1.790 55.654 58.100 -1.093 0.000 1.230 130 Y CB -0.904 37.189 38.460 -0.611 0.000 1.146 130 Y HN 0.242 nan 8.280 nan 0.000 0.526 131 N N 1.506 120.075 118.700 -0.219 0.000 2.416 131 N HA -0.013 4.726 4.740 -0.001 0.000 0.271 131 N C 1.294 176.494 175.510 -0.517 0.000 1.245 131 N CA 0.507 53.392 53.050 -0.274 0.000 0.940 131 N CB 1.069 39.481 38.487 -0.125 0.000 1.175 131 N HN 0.492 nan 8.380 nan 0.000 0.483 132 G N 3.236 111.219 108.800 -1.361 0.000 2.848 132 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.208 132 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.208 132 G C 1.428 175.753 174.900 -0.960 0.000 1.152 132 G CA 0.281 44.809 45.100 -0.953 0.000 0.789 132 G HN 0.737 nan 8.290 nan 0.000 0.531 133 K N -0.538 119.102 120.400 -1.267 0.000 2.147 133 K HA -0.126 4.193 4.320 -0.001 0.000 0.205 133 K C 1.688 178.079 176.600 -0.348 0.000 1.049 133 K CA 0.985 56.861 56.287 -0.686 0.000 0.936 133 K CB -0.452 31.697 32.500 -0.585 0.000 0.722 133 K HN 0.294 nan 8.250 nan 0.000 0.446 134 Y N 1.264 121.487 120.300 -0.127 0.000 2.133 134 Y HA -0.128 4.421 4.550 -0.001 0.000 0.287 134 Y C 2.351 178.253 175.900 0.003 0.000 1.134 134 Y CA 0.787 58.874 58.100 -0.021 0.000 1.133 134 Y CB -0.711 37.712 38.460 -0.063 0.000 0.987 134 Y HN 0.038 nan 8.280 nan 0.000 0.502 135 L N 0.197 121.465 121.223 0.076 0.000 2.093 135 L HA -0.057 4.282 4.340 -0.001 0.000 0.208 135 L C 2.306 179.191 176.870 0.025 0.000 1.085 135 L CA 1.875 56.708 54.840 -0.011 0.000 0.755 135 L CB -1.148 40.817 42.059 -0.156 0.000 0.904 135 L HN 0.142 nan 8.230 nan 0.000 0.435 136 A N -1.292 121.558 122.820 0.050 0.000 1.877 136 A HA -0.276 4.044 4.320 -0.001 0.000 0.216 136 A C 2.300 179.975 177.584 0.153 0.000 1.186 136 A CA 1.841 53.955 52.037 0.128 0.000 0.620 136 A CB -1.199 17.931 19.000 0.218 0.000 0.822 136 A HN 0.607 nan 8.150 nan 0.000 0.443 137 Y N 1.253 121.578 120.300 0.042 0.000 2.114 137 Y HA -0.168 4.381 4.550 -0.001 0.000 0.284 137 Y C 2.666 178.595 175.900 0.049 0.000 1.143 137 Y CA 2.362 60.492 58.100 0.050 0.000 1.135 137 Y CB -0.862 37.616 38.460 0.030 0.000 0.980 137 Y HN 0.296 nan 8.280 nan 0.000 0.499 138 T N 0.394 114.896 114.554 -0.087 0.000 2.746 138 T HA -0.125 4.225 4.350 -0.001 0.000 0.267 138 T C 1.376 176.001 174.700 -0.125 0.000 1.039 138 T CA 1.704 63.694 62.100 -0.182 0.000 1.142 138 T CB -0.120 68.736 68.868 -0.020 0.000 0.866 138 T HN 0.309 nan 8.240 nan 0.000 0.444 139 E N 0.647 120.824 120.200 -0.039 0.000 2.474 139 E HA 0.082 4.432 4.350 -0.001 0.000 0.195 139 E C 0.060 176.663 176.600 0.005 0.000 1.039 139 E CA 0.051 56.455 56.400 0.006 0.000 0.881 139 E CB 0.085 29.803 29.700 0.030 0.000 0.970 139 E HN 0.608 nan 8.360 nan 0.000 0.486 140 E N 0.068 120.262 120.200 -0.010 0.000 2.271 140 E HA -0.162 4.188 4.350 -0.001 0.000 0.223 140 E C -0.102 176.530 176.600 0.052 0.000 1.223 140 E CA 0.456 56.870 56.400 0.022 0.000 0.704 140 E CB -2.168 27.535 29.700 0.005 0.000 1.194 140 E HN 0.127 nan 8.360 nan 0.000 0.375 141 V N -3.790 116.167 119.914 0.072 0.000 3.074 141 V HA 0.685 4.805 4.120 -0.001 0.000 0.314 141 V C 0.353 176.527 176.094 0.134 0.000 1.117 141 V CA -1.131 61.217 62.300 0.080 0.000 1.014 141 V CB 2.329 34.182 31.823 0.050 0.000 1.057 141 V HN -0.014 nan 8.190 nan 0.000 0.438 142 V N 4.030 124.028 119.914 0.141 0.000 2.408 142 V HA 0.307 4.426 4.120 -0.001 0.000 0.267 142 V C 0.009 176.234 176.094 0.220 0.000 1.047 142 V CA -0.314 62.100 62.300 0.191 0.000 0.937 142 V CB 1.036 32.955 31.823 0.159 0.000 0.999 142 V HN 0.753 nan 8.190 nan 0.000 0.472 143 L N 7.593 129.006 121.223 0.317 0.000 2.272 143 L HA 0.602 4.942 4.340 -0.001 0.000 0.289 143 L C -0.498 176.674 176.870 0.502 0.000 1.032 143 L CA 0.092 55.170 54.840 0.397 0.000 0.810 143 L CB 1.700 43.994 42.059 0.392 0.000 1.205 143 L HN 0.401 nan 8.230 nan 0.000 0.422 144 V N 3.975 124.153 119.914 0.440 0.000 2.555 144 V HA 0.568 4.688 4.120 -0.001 0.000 0.302 144 V C -0.031 176.344 176.094 0.468 0.000 1.038 144 V CA -0.598 61.931 62.300 0.382 0.000 0.887 144 V CB 2.078 34.040 31.823 0.232 0.000 0.991 144 V HN 0.904 nan 8.190 nan 0.000 0.434 145 S N 5.035 121.015 115.700 0.467 0.000 2.561 145 S HA 0.851 5.321 4.470 -0.001 0.000 0.303 145 S C -0.814 173.975 174.600 0.315 0.000 1.110 145 S CA -0.760 57.730 58.200 0.483 0.000 1.034 145 S CB 1.655 65.253 63.200 0.664 0.000 1.010 145 S HN 0.703 nan 8.310 nan 0.000 0.482 146 L N 0.812 122.159 121.223 0.208 0.000 2.491 146 L HA 1.015 5.355 4.340 -0.001 0.000 0.264 146 L C 0.067 177.083 176.870 0.243 0.000 1.053 146 L CA -0.732 54.202 54.840 0.158 0.000 0.858 146 L CB 0.354 42.383 42.059 -0.049 0.000 1.519 146 L HN 0.886 nan 8.230 nan 0.000 0.508 147 S N -1.687 114.217 115.700 0.340 0.000 2.618 147 S HA 0.898 5.367 4.470 -0.001 0.000 0.277 147 S C -1.298 173.553 174.600 0.420 0.000 1.138 147 S CA -0.504 57.916 58.200 0.367 0.000 0.844 147 S CB 1.546 64.990 63.200 0.407 0.000 1.127 147 S HN 1.230 nan 8.310 nan 0.000 0.474 148 Y N -1.810 118.622 120.300 0.220 0.000 2.604 148 Y HA 0.675 5.224 4.550 -0.001 0.000 0.331 148 Y C -0.811 175.228 175.900 0.232 0.000 1.158 148 Y CA -1.400 56.815 58.100 0.191 0.000 1.056 148 Y CB 0.675 39.199 38.460 0.105 0.000 1.330 148 Y HN 0.771 nan 8.280 nan 0.000 0.457 149 R N 1.834 122.494 120.500 0.266 0.000 2.590 149 R HA 0.528 4.867 4.340 -0.001 0.000 0.274 149 R C -0.211 176.303 176.300 0.357 0.000 1.061 149 R CA -0.119 56.099 56.100 0.197 0.000 1.081 149 R CB 0.891 31.266 30.300 0.125 0.000 0.984 149 R HN 0.694 nan 8.270 nan 0.000 0.448 150 V N -0.418 119.722 119.914 0.376 0.000 3.158 150 V HA 0.893 5.013 4.120 -0.001 0.000 0.315 150 V C 0.691 177.138 176.094 0.588 0.000 1.148 150 V CA -0.143 62.504 62.300 0.578 0.000 1.042 150 V CB 1.205 33.245 31.823 0.362 0.000 1.101 150 V HN 0.978 nan 8.190 nan 0.000 0.448 151 G N 0.549 109.719 108.800 0.615 0.000 2.575 151 G HA2 0.029 3.988 3.960 -0.001 0.000 0.267 151 G HA3 0.029 3.988 3.960 -0.001 0.000 0.267 151 G C 1.019 176.111 174.900 0.321 0.000 1.264 151 G CA 0.993 46.385 45.100 0.486 0.000 0.935 151 G HN 2.248 nan 8.290 nan 0.000 0.568 152 A N -1.331 121.361 122.820 -0.213 0.000 1.978 152 A HA 0.189 4.508 4.320 -0.001 0.000 0.220 152 A C 2.228 179.685 177.584 -0.212 0.000 1.170 152 A CA 2.577 54.140 52.037 -0.791 0.000 0.636 152 A CB -0.517 17.774 19.000 -1.182 0.000 0.810 152 A HN 0.974 nan 8.150 nan 0.000 0.448 153 F N -0.096 119.920 119.950 0.111 0.000 2.269 153 F HA 0.003 4.530 4.527 -0.001 0.000 0.301 153 F C 2.370 178.202 175.800 0.053 0.000 1.082 153 F CA 1.141 59.185 58.000 0.073 0.000 1.360 153 F CB -0.482 38.510 39.000 -0.013 0.000 1.041 153 F HN 0.296 nan 8.300 nan 0.000 0.512 154 G N -2.615 106.301 108.800 0.194 0.000 2.944 154 G HA2 0.107 4.067 3.960 -0.001 0.000 0.220 154 G HA3 0.107 4.067 3.960 -0.001 0.000 0.220 154 G C 0.683 175.128 174.900 -0.758 0.000 1.100 154 G CA 0.057 45.026 45.100 -0.218 0.000 0.780 154 G HN 0.327 nan 8.290 nan 0.000 0.539 155 F N -0.401 119.641 119.950 0.153 0.000 2.899 155 F HA 0.420 4.946 4.527 -0.001 0.000 0.337 155 F C 0.283 176.138 175.800 0.092 0.000 1.129 155 F CA -0.934 57.134 58.000 0.112 0.000 1.128 155 F CB 0.522 39.604 39.000 0.138 0.000 1.154 155 F HN -0.084 nan 8.300 nan 0.000 0.531 156 L N 2.403 123.645 121.223 0.032 0.000 2.584 156 L HA 0.448 4.787 4.340 -0.001 0.000 0.272 156 L C 0.150 176.990 176.870 -0.051 0.000 1.195 156 L CA 0.192 54.938 54.840 -0.158 0.000 0.920 156 L CB 0.171 41.845 42.059 -0.642 0.000 1.173 156 L HN 0.163 nan 8.230 nan 0.000 0.489 157 A N 6.932 129.773 122.820 0.034 0.000 2.340 157 A HA 0.615 4.934 4.320 -0.001 0.000 0.297 157 A C -0.728 176.872 177.584 0.026 0.000 1.195 157 A CA -0.478 51.583 52.037 0.040 0.000 0.769 157 A CB 0.546 19.601 19.000 0.091 0.000 1.163 157 A HN 0.719 nan 8.150 nan 0.000 0.472 158 L N 3.568 124.795 121.223 0.006 0.000 2.599 158 L HA 0.227 4.567 4.340 -0.001 0.000 0.241 158 L C 0.173 177.074 176.870 0.050 0.000 1.207 158 L CA -0.786 54.060 54.840 0.011 0.000 0.987 158 L CB 0.102 42.135 42.059 -0.042 0.000 1.318 158 L HN 0.911 nan 8.230 nan 0.000 0.458 159 H N 1.453 120.522 119.070 -0.002 0.000 3.152 159 H HA 0.134 4.689 4.556 -0.001 0.000 0.319 159 H C 1.249 176.581 175.328 0.007 0.000 0.994 159 H CA 1.708 57.762 56.048 0.009 0.000 1.370 159 H CB 0.745 30.517 29.762 0.015 0.000 1.322 159 H HN 0.664 nan 8.280 nan 0.000 0.590 160 G N 2.591 111.049 108.800 -0.571 0.000 2.254 160 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.225 160 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.225 160 G C 0.279 175.075 174.900 -0.174 0.000 1.003 160 G CA 0.399 45.275 45.100 -0.374 0.000 0.622 160 G HN 1.165 nan 8.290 nan 0.000 0.507 161 S N -0.155 115.479 115.700 -0.110 0.000 2.593 161 S HA 0.701 5.171 4.470 -0.001 0.000 0.297 161 S C 0.712 175.292 174.600 -0.034 0.000 1.112 161 S CA -0.149 58.019 58.200 -0.053 0.000 1.043 161 S CB 2.116 65.299 63.200 -0.029 0.000 1.054 161 S HN 0.077 nan 8.310 nan 0.000 0.516 162 Q N 0.731 120.524 119.800 -0.013 0.000 2.360 162 Q HA 0.210 4.550 4.340 -0.001 0.000 0.202 162 Q C 0.879 176.895 176.000 0.027 0.000 0.915 162 Q CA 0.358 56.164 55.803 0.005 0.000 0.943 162 Q CB 0.047 28.789 28.738 0.006 0.000 1.064 162 Q HN 0.726 nan 8.270 nan 0.000 0.511 163 E N 0.408 120.626 120.200 0.031 0.000 2.230 163 E HA 0.092 4.441 4.350 -0.001 0.000 0.192 163 E C 0.118 176.772 176.600 0.089 0.000 0.987 163 E CA 0.486 56.922 56.400 0.061 0.000 0.841 163 E CB 0.533 30.272 29.700 0.064 0.000 0.783 163 E HN 0.138 nan 8.360 nan 0.000 0.481 164 A N 1.412 124.257 122.820 0.043 0.000 3.422 164 A HA 0.276 4.596 4.320 -0.001 0.000 0.271 164 A C -2.083 175.503 177.584 0.003 0.000 1.104 164 A CA -0.819 51.230 52.037 0.019 0.000 0.899 164 A CB 0.662 19.581 19.000 -0.136 0.000 1.309 164 A HN -0.115 nan 8.150 nan 0.000 0.580 165 P HA 0.148 nan 4.420 nan 0.000 0.222 165 P C 0.912 178.258 177.300 0.076 0.000 1.153 165 P CA 1.835 64.968 63.100 0.054 0.000 0.798 165 P CB 0.277 32.010 31.700 0.055 0.000 0.796 166 G N 0.384 109.210 108.800 0.043 0.000 2.612 166 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.686 166 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.686 166 G C -0.137 174.760 174.900 -0.005 0.000 1.274 166 G CA -0.267 44.860 45.100 0.044 0.000 0.849 166 G HN 0.100 nan 8.290 nan 0.000 0.595 167 N N -2.386 116.298 118.700 -0.026 0.000 2.765 167 N HA -0.295 4.445 4.740 -0.001 0.000 0.248 167 N C 1.991 177.340 175.510 -0.268 0.000 1.063 167 N CA 2.592 55.549 53.050 -0.156 0.000 0.862 167 N CB -1.615 36.737 38.487 -0.225 0.000 1.145 167 N HN 1.922 nan 8.380 nan 0.000 0.581 168 V N -2.739 117.025 119.914 -0.251 0.000 2.720 168 V HA -0.011 4.109 4.120 -0.001 0.000 0.256 168 V C 2.283 178.240 176.094 -0.228 0.000 1.082 168 V CA 2.285 64.486 62.300 -0.166 0.000 1.101 168 V CB -0.915 30.862 31.823 -0.076 0.000 0.693 168 V HN 0.286 nan 8.190 nan 0.000 0.479 169 G N 0.422 108.872 108.800 -0.583 0.000 2.408 169 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.217 169 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.217 169 G C 1.533 176.385 174.900 -0.080 0.000 1.150 169 G CA 1.065 45.936 45.100 -0.383 0.000 0.776 169 G HN 0.536 nan 8.290 nan 0.000 0.542 170 L N -0.074 121.057 121.223 -0.154 0.000 2.156 170 L HA 0.096 4.435 4.340 -0.001 0.000 0.208 170 L C 2.782 179.706 176.870 0.090 0.000 1.095 170 L CA 0.317 55.085 54.840 -0.119 0.000 0.770 170 L CB -0.251 41.457 42.059 -0.585 0.000 0.914 170 L HN 0.178 nan 8.230 nan 0.000 0.439 171 L N -0.639 120.626 121.223 0.071 0.000 2.141 171 L HA -0.185 4.154 4.340 -0.001 0.000 0.209 171 L C 2.128 179.090 176.870 0.152 0.000 1.094 171 L CA 0.783 55.724 54.840 0.168 0.000 0.763 171 L CB -0.583 41.549 42.059 0.122 0.000 0.908 171 L HN 0.281 nan 8.230 nan 0.000 0.437 172 D N 0.044 120.532 120.400 0.146 0.000 2.097 172 D HA -0.197 4.442 4.640 -0.001 0.000 0.195 172 D C 2.266 178.658 176.300 0.154 0.000 0.989 172 D CA 1.176 55.329 54.000 0.255 0.000 0.827 172 D CB -0.176 40.815 40.800 0.318 0.000 0.966 172 D HN 0.378 nan 8.370 nan 0.000 0.456 173 Q N 0.195 120.047 119.800 0.086 0.000 2.061 173 Q HA -0.163 4.176 4.340 -0.001 0.000 0.204 173 Q C 2.304 178.238 176.000 -0.110 0.000 0.984 173 Q CA 1.187 56.961 55.803 -0.049 0.000 0.846 173 Q CB -0.102 28.626 28.738 -0.017 0.000 0.902 173 Q HN 0.199 nan 8.270 nan 0.000 0.421 174 R N 0.537 121.067 120.500 0.050 0.000 2.081 174 R HA -0.146 4.194 4.340 -0.001 0.000 0.235 174 R C 2.191 178.479 176.300 -0.021 0.000 1.131 174 R CA 1.479 57.590 56.100 0.019 0.000 0.960 174 R CB -0.166 30.237 30.300 0.172 0.000 0.856 174 R HN 0.281 nan 8.270 nan 0.000 0.436 175 M N -0.019 119.589 119.600 0.014 0.000 2.159 175 M HA -0.103 4.377 4.480 -0.001 0.000 0.263 175 M C 2.112 178.342 176.300 -0.116 0.000 1.063 175 M CA 1.900 57.227 55.300 0.045 0.000 1.110 175 M CB -0.017 32.706 32.600 0.205 0.000 1.374 175 M HN 0.329 nan 8.290 nan 0.000 0.411 176 A N 0.285 122.787 122.820 -0.531 0.000 1.930 176 A HA -0.115 4.204 4.320 -0.001 0.000 0.217 176 A C 1.974 179.422 177.584 -0.227 0.000 1.175 176 A CA 1.311 52.855 52.037 -0.822 0.000 0.627 176 A CB -0.932 17.358 19.000 -1.183 0.000 0.815 176 A HN 0.566 nan 8.150 nan 0.000 0.443 177 L N -1.066 120.057 121.223 -0.166 0.000 2.093 177 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 177 L C 2.815 179.720 176.870 0.059 0.000 1.085 177 L CA 1.604 56.416 54.840 -0.048 0.000 0.755 177 L CB -0.469 41.525 42.059 -0.107 0.000 0.904 177 L HN 0.473 nan 8.230 nan 0.000 0.435 178 Q N -0.299 119.531 119.800 0.051 0.000 2.124 178 Q HA -0.250 4.090 4.340 -0.001 0.000 0.202 178 Q C 1.986 178.093 176.000 0.178 0.000 0.977 178 Q CA 1.846 57.704 55.803 0.091 0.000 0.850 178 Q CB -0.411 28.371 28.738 0.073 0.000 0.901 178 Q HN 0.473 nan 8.270 nan 0.000 0.429 179 W N -0.797 120.513 121.300 0.017 0.000 2.381 179 W HA -0.133 4.526 4.660 -0.001 0.000 0.301 179 W C 1.865 178.428 176.519 0.073 0.000 1.205 179 W CA 1.609 58.991 57.345 0.061 0.000 1.285 179 W CB -0.205 29.289 29.460 0.056 0.000 1.133 179 W HN -0.005 nan 8.180 nan 0.000 0.521 180 V N 0.003 120.111 119.914 0.322 0.000 2.287 180 V HA -0.391 3.729 4.120 -0.001 0.000 0.248 180 V C 2.546 178.674 176.094 0.056 0.000 1.053 180 V CA 2.373 64.789 62.300 0.192 0.000 1.027 180 V CB -1.324 30.600 31.823 0.167 0.000 0.646 180 V HN 0.344 nan 8.190 nan 0.000 0.447 181 H N 0.305 119.373 119.070 -0.003 0.000 2.352 181 H HA -0.170 4.385 4.556 -0.001 0.000 0.299 181 H C 1.889 177.156 175.328 -0.103 0.000 1.097 181 H CA 2.034 58.059 56.048 -0.039 0.000 1.311 181 H CB 0.029 29.781 29.762 -0.017 0.000 1.377 181 H HN 0.448 nan 8.280 nan 0.000 0.504 182 D N -0.381 119.999 120.400 -0.032 0.000 2.289 182 D HA -0.034 4.605 4.640 -0.001 0.000 0.207 182 D C 1.151 177.291 176.300 -0.266 0.000 0.966 182 D CA 0.453 54.373 54.000 -0.132 0.000 0.868 182 D CB 0.110 40.862 40.800 -0.080 0.000 0.943 182 D HN 0.466 nan 8.370 nan 0.000 0.514 183 N N -0.124 118.344 118.700 -0.387 0.000 2.168 183 N HA 0.027 4.766 4.740 -0.001 0.000 0.216 183 N C 1.457 176.881 175.510 -0.144 0.000 1.259 183 N CA -0.172 52.671 53.050 -0.344 0.000 0.902 183 N CB 1.055 38.996 38.487 -0.911 0.000 1.079 183 N HN -0.001 nan 8.380 nan 0.000 0.507 184 I N 3.155 123.660 120.570 -0.109 0.000 2.567 184 I HA -0.242 3.928 4.170 -0.001 0.000 0.257 184 I C 2.547 178.656 176.117 -0.014 0.000 1.184 184 I CA 1.302 62.647 61.300 0.074 0.000 1.451 184 I CB -0.192 37.824 38.000 0.027 0.000 1.089 184 I HN 0.201 nan 8.210 nan 0.000 0.441 185 Q N -0.784 118.820 119.800 -0.326 0.000 2.226 185 Q HA -0.227 4.113 4.340 -0.001 0.000 0.204 185 Q C 1.775 177.510 176.000 -0.442 0.000 0.975 185 Q CA 1.648 57.189 55.803 -0.436 0.000 0.866 185 Q CB -0.796 27.549 28.738 -0.654 0.000 0.915 185 Q HN 0.420 nan 8.270 nan 0.000 0.440 186 F N -0.292 119.591 119.950 -0.111 0.000 2.661 186 F HA 0.121 4.648 4.527 -0.001 0.000 0.298 186 F C 0.866 176.429 175.800 -0.395 0.000 1.137 186 F CA 0.252 58.086 58.000 -0.278 0.000 1.454 186 F CB -0.051 38.696 39.000 -0.422 0.000 1.103 186 F HN 0.002 nan 8.300 nan 0.000 0.577 187 F N -0.709 119.234 119.950 -0.012 0.000 2.664 187 F HA 0.433 4.959 4.527 -0.001 0.000 0.303 187 F C 1.773 177.577 175.800 0.006 0.000 1.092 187 F CA 0.327 58.301 58.000 -0.043 0.000 1.305 187 F CB 0.118 39.058 39.000 -0.099 0.000 1.054 187 F HN 0.032 nan 8.300 nan 0.000 0.565 188 G N 0.102 108.971 108.800 0.115 0.000 2.176 188 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.232 188 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.232 188 G C 0.638 175.574 174.900 0.059 0.000 0.986 188 G CA -0.317 44.831 45.100 0.079 0.000 0.643 188 G HN 0.704 nan 8.290 nan 0.000 0.522 189 G N -0.289 108.549 108.800 0.064 0.000 2.448 189 G HA2 0.485 4.444 3.960 -0.001 0.000 0.285 189 G HA3 0.485 4.444 3.960 -0.001 0.000 0.285 189 G C -0.704 174.177 174.900 -0.033 0.000 1.176 189 G CA 0.383 45.503 45.100 0.033 0.000 0.852 189 G HN 0.290 nan 8.290 nan 0.000 0.530 190 D N 1.471 121.853 120.400 -0.030 0.000 2.396 190 D HA 0.267 4.907 4.640 -0.001 0.000 0.225 190 D C -0.933 175.324 176.300 -0.071 0.000 1.121 190 D CA -2.399 51.563 54.000 -0.062 0.000 0.853 190 D CB 1.785 42.558 40.800 -0.044 0.000 1.043 190 D HN 0.070 nan 8.370 nan 0.000 0.500 191 P HA -0.161 nan 4.420 nan 0.000 0.225 191 P C 0.629 177.873 177.300 -0.093 0.000 1.148 191 P CA 0.914 63.920 63.100 -0.156 0.000 0.779 191 P CB 0.046 31.538 31.700 -0.347 0.000 0.780 192 K N -0.952 119.401 120.400 -0.079 0.000 2.404 192 K HA 0.130 4.450 4.320 -0.001 0.000 0.194 192 K C 0.054 176.640 176.600 -0.023 0.000 1.023 192 K CA 0.362 56.626 56.287 -0.039 0.000 1.094 192 K CB -0.300 32.171 32.500 -0.048 0.000 0.841 192 K HN -0.165 nan 8.250 nan 0.000 0.523 193 T N 1.576 116.117 114.554 -0.021 0.000 3.532 193 T HA 0.165 4.514 4.350 -0.001 0.000 0.241 193 T C -1.165 173.538 174.700 0.005 0.000 1.238 193 T CA -0.551 61.536 62.100 -0.021 0.000 1.405 193 T CB 0.897 69.742 68.868 -0.038 0.000 0.971 193 T HN 0.124 nan 8.240 nan 0.000 0.640 194 V N 1.789 121.733 119.914 0.050 0.000 2.435 194 V HA 0.669 4.788 4.120 -0.001 0.000 0.290 194 V C -0.472 175.701 176.094 0.133 0.000 1.030 194 V CA 0.026 62.382 62.300 0.093 0.000 0.881 194 V CB 1.623 33.525 31.823 0.132 0.000 0.983 194 V HN 0.497 nan 8.190 nan 0.000 0.445 195 T N 8.574 123.189 114.554 0.102 0.000 2.770 195 T HA 0.517 4.866 4.350 -0.001 0.000 0.283 195 T C -0.134 174.664 174.700 0.163 0.000 0.988 195 T CA -0.156 62.012 62.100 0.114 0.000 0.957 195 T CB 0.687 69.563 68.868 0.014 0.000 0.930 195 T HN 0.767 nan 8.240 nan 0.000 0.443 196 I N 1.801 122.439 120.570 0.114 0.000 2.396 196 I HA 0.850 5.020 4.170 -0.001 0.000 0.292 196 I C -0.817 175.463 176.117 0.271 0.000 0.999 196 I CA -0.908 60.450 61.300 0.097 0.000 1.310 196 I CB 0.817 38.650 38.000 -0.279 0.000 1.404 196 I HN 0.478 nan 8.210 nan 0.000 0.496 197 F N 3.058 123.035 119.950 0.046 0.000 2.619 197 F HA 0.993 5.519 4.527 -0.001 0.000 0.308 197 F C -0.469 175.317 175.800 -0.024 0.000 1.097 197 F CA -1.315 56.755 58.000 0.116 0.000 0.953 197 F CB 1.299 40.488 39.000 0.315 0.000 1.287 197 F HN 0.831 nan 8.300 nan 0.000 0.446 198 G N 1.065 109.748 108.800 -0.195 0.000 2.623 198 G HA2 0.502 4.461 3.960 -0.001 0.000 0.290 198 G HA3 0.502 4.461 3.960 -0.001 0.000 0.290 198 G C -2.503 172.210 174.900 -0.312 0.000 1.437 198 G CA -0.796 43.830 45.100 -0.790 0.000 0.798 198 G HN 0.861 nan 8.290 nan 0.000 0.488 199 E N 0.280 120.258 120.200 -0.369 0.000 2.238 199 E HA 0.625 4.975 4.350 -0.001 0.000 0.267 199 E C 0.664 177.215 176.600 -0.081 0.000 0.887 199 E CA 0.278 56.670 56.400 -0.013 0.000 0.769 199 E CB 2.103 31.942 29.700 0.232 0.000 1.187 199 E HN 0.831 nan 8.360 nan 0.000 0.416 200 S N 2.800 118.515 115.700 0.024 0.000 4.114 200 S HA -0.396 4.074 4.470 -0.001 0.000 0.618 200 S C 1.480 176.157 174.600 0.128 0.000 1.937 200 S CA 2.154 60.427 58.200 0.122 0.000 4.228 200 S CB -1.605 61.589 63.200 -0.011 0.000 0.216 200 S HN 0.986 nan 8.310 nan 0.000 0.528 201 A N 0.934 123.718 122.820 -0.060 0.000 2.024 201 A HA 0.102 4.422 4.320 -0.001 0.000 0.220 201 A C 2.435 179.788 177.584 -0.384 0.000 1.164 201 A CA 2.517 54.342 52.037 -0.352 0.000 0.643 201 A CB -1.532 16.845 19.000 -1.039 0.000 0.806 201 A HN 1.590 nan 8.150 nan 0.000 0.451 202 G N -0.875 107.747 108.800 -0.297 0.000 2.421 202 G HA2 0.114 4.073 3.960 -0.001 0.000 0.217 202 G HA3 0.114 4.073 3.960 -0.001 0.000 0.217 202 G C 1.430 176.168 174.900 -0.269 0.000 1.143 202 G CA 1.109 45.994 45.100 -0.358 0.000 0.784 202 G HN 0.660 nan 8.290 nan 0.000 0.541 203 G N 0.986 109.690 108.800 -0.161 0.000 2.403 203 G HA2 0.129 4.088 3.960 -0.001 0.000 0.216 203 G HA3 0.129 4.088 3.960 -0.001 0.000 0.216 203 G C 2.009 176.834 174.900 -0.125 0.000 1.154 203 G CA 1.345 46.385 45.100 -0.101 0.000 0.784 203 G HN 0.557 nan 8.290 nan 0.000 0.538 204 A N 0.861 123.632 122.820 -0.081 0.000 1.902 204 A HA 0.023 4.343 4.320 -0.001 0.000 0.217 204 A C 2.686 180.231 177.584 -0.065 0.000 1.181 204 A CA 2.208 54.176 52.037 -0.115 0.000 0.623 204 A CB -0.633 18.335 19.000 -0.054 0.000 0.818 204 A HN 0.292 nan 8.150 nan 0.000 0.443 205 S N -0.467 115.219 115.700 -0.023 0.000 2.359 205 S HA -0.151 4.318 4.470 -0.001 0.000 0.224 205 S C 1.928 176.492 174.600 -0.060 0.000 1.035 205 S CA 1.467 59.640 58.200 -0.046 0.000 1.018 205 S CB -0.537 62.592 63.200 -0.118 0.000 0.876 205 S HN 0.343 nan 8.310 nan 0.000 0.448 206 V N 1.584 121.460 119.914 -0.062 0.000 2.282 206 V HA -0.211 3.909 4.120 -0.001 0.000 0.249 206 V C 2.595 178.664 176.094 -0.042 0.000 1.057 206 V CA 2.076 64.343 62.300 -0.054 0.000 1.032 206 V CB -1.459 30.301 31.823 -0.105 0.000 0.645 206 V HN 0.613 nan 8.190 nan 0.000 0.447 207 G N -1.155 107.566 108.800 -0.132 0.000 2.432 207 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.219 207 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.219 207 G C 1.592 176.497 174.900 0.009 0.000 1.135 207 G CA 1.010 46.001 45.100 -0.182 0.000 0.767 207 G HN 0.461 nan 8.290 nan 0.000 0.550 208 M N -0.223 119.392 119.600 0.024 0.000 2.229 208 M HA 0.016 4.495 4.480 -0.001 0.000 0.264 208 M C 2.226 178.646 176.300 0.199 0.000 1.063 208 M CA 0.850 56.280 55.300 0.217 0.000 1.114 208 M CB -0.215 32.517 32.600 0.220 0.000 1.387 208 M HN 0.197 nan 8.290 nan 0.000 0.420 209 H N -0.290 118.913 119.070 0.221 0.000 2.470 209 H HA 0.071 4.626 4.556 -0.001 0.000 0.289 209 H C 2.080 177.622 175.328 0.356 0.000 1.033 209 H CA 1.179 57.353 56.048 0.210 0.000 1.331 209 H CB -0.074 29.708 29.762 0.033 0.000 1.414 209 H HN 0.411 nan 8.280 nan 0.000 0.545 210 I N 0.409 121.264 120.570 0.474 0.000 2.315 210 I HA -0.226 3.943 4.170 -0.001 0.000 0.248 210 I C 2.163 178.532 176.117 0.419 0.000 1.117 210 I CA 0.825 62.448 61.300 0.539 0.000 1.404 210 I CB -0.032 38.242 38.000 0.457 0.000 1.071 210 I HN 0.104 nan 8.210 nan 0.000 0.419 211 L N -0.597 120.840 121.223 0.358 0.000 2.068 211 L HA -0.037 4.303 4.340 -0.001 0.000 0.204 211 L C 1.551 178.545 176.870 0.207 0.000 1.076 211 L CA 0.324 55.371 54.840 0.344 0.000 0.753 211 L CB -0.323 41.968 42.059 0.387 0.000 0.910 211 L HN 0.061 nan 8.230 nan 0.000 0.439 212 S N 0.247 115.992 115.700 0.075 0.000 2.509 212 S HA 0.060 4.530 4.470 -0.001 0.000 0.287 212 S C -1.487 173.001 174.600 -0.186 0.000 1.248 212 S CA -1.251 56.796 58.200 -0.255 0.000 1.089 212 S CB 0.773 63.413 63.200 -0.933 0.000 0.900 212 S HN -0.072 nan 8.310 nan 0.000 0.496 213 P HA -0.073 nan 4.420 nan 0.000 0.216 213 P C 1.379 178.593 177.300 -0.143 0.000 1.150 213 P CA 1.224 64.255 63.100 -0.115 0.000 0.843 213 P CB -0.088 31.551 31.700 -0.101 0.000 0.787 214 G N -1.746 106.916 108.800 -0.230 0.000 2.679 214 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.212 214 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.212 214 G C 1.279 176.095 174.900 -0.139 0.000 1.137 214 G CA 0.488 45.471 45.100 -0.194 0.000 0.787 214 G HN 0.232 nan 8.290 nan 0.000 0.534 215 S N -0.331 115.311 115.700 -0.097 0.000 2.539 215 S HA 0.093 4.562 4.470 -0.001 0.000 0.226 215 S C 2.252 176.947 174.600 0.159 0.000 1.054 215 S CA -0.471 57.779 58.200 0.085 0.000 0.910 215 S CB 0.190 63.577 63.200 0.311 0.000 0.818 215 S HN 0.365 nan 8.310 nan 0.000 0.490 216 R N 2.162 122.700 120.500 0.063 0.000 2.119 216 R HA -0.141 4.198 4.340 -0.001 0.000 0.246 216 R C 0.593 176.714 176.300 -0.299 0.000 1.146 216 R CA 1.663 57.700 56.100 -0.106 0.000 0.962 216 R CB -0.843 29.416 30.300 -0.070 0.000 0.863 216 R HN 0.335 nan 8.270 nan 0.000 0.442 217 D N 0.746 121.040 120.400 -0.178 0.000 2.363 217 D HA 0.001 4.641 4.640 -0.001 0.000 0.220 217 D C 1.632 177.825 176.300 -0.178 0.000 0.994 217 D CA 0.584 54.470 54.000 -0.189 0.000 0.890 217 D CB -0.010 40.696 40.800 -0.156 0.000 0.906 217 D HN 0.243 nan 8.370 nan 0.000 0.530 218 L N -0.225 120.940 121.223 -0.098 0.000 2.591 218 L HA 0.146 4.486 4.340 -0.001 0.000 0.228 218 L C -0.017 176.991 176.870 0.230 0.000 1.133 218 L CA 0.022 54.879 54.840 0.028 0.000 0.880 218 L CB -0.262 41.836 42.059 0.065 0.000 1.033 218 L HN -0.037 nan 8.230 nan 0.000 0.450 219 F N -4.239 115.721 119.950 0.017 0.000 2.686 219 F HA 0.560 5.087 4.527 -0.001 0.000 0.311 219 F C 0.394 176.216 175.800 0.036 0.000 1.128 219 F CA -1.351 56.669 58.000 0.034 0.000 0.946 219 F CB 1.169 40.184 39.000 0.024 0.000 1.336 219 F HN -0.402 nan 8.300 nan 0.000 0.457 220 R N 0.706 121.277 120.500 0.119 0.000 2.087 220 R HA 0.481 4.821 4.340 -0.001 0.000 0.213 220 R C 0.045 176.389 176.300 0.072 0.000 1.137 220 R CA 0.992 57.094 56.100 0.004 0.000 1.022 220 R CB 0.258 30.561 30.300 0.004 0.000 0.920 220 R HN 0.792 nan 8.270 nan 0.000 0.451 221 R N -1.387 119.238 120.500 0.208 0.000 2.905 221 R HA 0.770 5.110 4.340 -0.001 0.000 0.260 221 R C -1.481 175.041 176.300 0.371 0.000 1.086 221 R CA -0.723 55.501 56.100 0.207 0.000 0.978 221 R CB 2.197 32.414 30.300 -0.137 0.000 1.215 221 R HN 0.233 nan 8.270 nan 0.000 0.480 222 A N 1.023 124.061 122.820 0.364 0.000 2.549 222 A HA 0.689 5.009 4.320 -0.001 0.000 0.297 222 A C -1.307 176.430 177.584 0.254 0.000 1.061 222 A CA -0.616 51.583 52.037 0.271 0.000 0.690 222 A CB 1.336 20.453 19.000 0.194 0.000 1.287 222 A HN 0.553 nan 8.150 nan 0.000 0.402 223 I N 1.509 122.180 120.570 0.169 0.000 2.466 223 I HA 0.405 4.575 4.170 -0.001 0.000 0.289 223 I C -1.506 174.678 176.117 0.112 0.000 1.026 223 I CA -0.636 60.699 61.300 0.057 0.000 1.078 223 I CB 1.923 39.934 38.000 0.019 0.000 1.249 223 I HN 0.420 nan 8.210 nan 0.000 0.429 224 L N 6.530 127.787 121.223 0.056 0.000 2.343 224 L HA 0.445 4.785 4.340 -0.001 0.000 0.278 224 L C -0.480 176.479 176.870 0.149 0.000 0.996 224 L CA -0.273 54.600 54.840 0.055 0.000 0.831 224 L CB 1.559 43.583 42.059 -0.058 0.000 1.232 224 L HN 0.490 nan 8.230 nan 0.000 0.413 225 Q N 1.889 121.825 119.800 0.227 0.000 2.348 225 Q HA 0.477 4.816 4.340 -0.001 0.000 0.265 225 Q C -0.003 176.127 176.000 0.216 0.000 0.998 225 Q CA -0.584 55.423 55.803 0.339 0.000 0.831 225 Q CB 1.506 30.547 28.738 0.505 0.000 1.251 225 Q HN 0.644 nan 8.270 nan 0.000 0.456 226 S N 1.057 116.872 115.700 0.192 0.000 3.614 226 S HA -0.165 4.304 4.470 -0.001 0.000 0.360 226 S C 0.018 174.754 174.600 0.225 0.000 1.023 226 S CA 0.602 58.924 58.200 0.203 0.000 1.114 226 S CB -1.144 62.206 63.200 0.250 0.000 0.907 226 S HN 0.983 nan 8.310 nan 0.000 0.470 227 G N -0.266 108.612 108.800 0.129 0.000 2.633 227 G HA2 0.585 4.545 3.960 -0.001 0.000 0.299 227 G HA3 0.585 4.545 3.960 -0.001 0.000 0.299 227 G C -0.967 173.879 174.900 -0.088 0.000 1.501 227 G CA 0.114 45.290 45.100 0.127 0.000 0.887 227 G HN 1.080 nan 8.290 nan 0.000 0.561 228 S N 1.479 117.051 115.700 -0.212 0.000 2.588 228 S HA 0.799 5.269 4.470 -0.001 0.000 0.275 228 S C -1.961 172.352 174.600 -0.479 0.000 1.130 228 S CA -1.172 56.752 58.200 -0.460 0.000 0.855 228 S CB 3.120 66.036 63.200 -0.473 0.000 1.116 228 S HN 0.419 nan 8.310 nan 0.000 0.472 229 P HA -0.150 nan 4.420 nan 0.000 0.218 229 P C 0.605 177.667 177.300 -0.396 0.000 1.148 229 P CA 1.379 64.245 63.100 -0.391 0.000 0.822 229 P CB -0.310 31.214 31.700 -0.293 0.000 0.784 230 N N -0.789 117.708 118.700 -0.337 0.000 2.370 230 N HA -0.018 4.722 4.740 -0.001 0.000 0.198 230 N C 0.009 175.291 175.510 -0.380 0.000 1.156 230 N CA -0.184 52.702 53.050 -0.273 0.000 0.839 230 N CB -1.345 37.099 38.487 -0.070 0.000 0.989 230 N HN 0.043 nan 8.380 nan 0.000 0.468 231 C N 2.901 121.858 119.300 -0.571 0.000 2.657 231 C HA 0.102 4.562 4.460 -0.001 0.000 0.420 231 C C -0.163 174.350 174.990 -0.795 0.000 1.323 231 C CA -0.952 57.599 59.018 -0.779 0.000 1.894 231 C CB 1.106 28.078 27.740 -1.279 0.000 2.681 231 C HN 0.360 nan 8.230 nan 0.000 0.613 232 P HA -0.128 nan 4.420 nan 0.000 0.221 232 P C 1.173 178.265 177.300 -0.346 0.000 1.145 232 P CA 1.870 64.693 63.100 -0.462 0.000 0.795 232 P CB -0.068 31.354 31.700 -0.463 0.000 0.775 233 W N -1.356 119.796 121.300 -0.246 0.000 3.013 233 W HA 0.524 5.184 4.660 -0.000 0.000 0.280 233 W C 1.417 177.954 176.519 0.030 0.000 1.249 233 W CA 0.372 57.642 57.345 -0.125 0.000 1.577 233 W CB -1.147 28.259 29.460 -0.090 0.000 1.057 233 W HN -0.130 nan 8.180 nan 0.000 0.613 234 A N 1.569 124.005 122.820 -0.641 0.000 2.119 234 A HA 0.078 4.398 4.320 -0.001 0.000 0.217 234 A C 1.115 178.496 177.584 -0.338 0.000 1.153 234 A CA 1.471 53.242 52.037 -0.443 0.000 0.692 234 A CB -0.636 17.867 19.000 -0.827 0.000 0.799 234 A HN 0.282 nan 8.150 nan 0.000 0.458 235 S N -2.218 113.290 115.700 -0.321 0.000 2.588 235 S HA 0.627 5.097 4.470 -0.001 0.000 0.269 235 S C -0.793 173.671 174.600 -0.226 0.000 1.157 235 S CA -0.100 57.913 58.200 -0.312 0.000 0.824 235 S CB 1.274 64.228 63.200 -0.410 0.000 1.126 235 S HN 1.399 nan 8.310 nan 0.000 0.464 236 V N -1.010 118.792 119.914 -0.186 0.000 3.160 236 V HA 0.945 5.065 4.120 -0.001 0.000 0.310 236 V C 0.123 176.143 176.094 -0.124 0.000 1.181 236 V CA -0.427 61.789 62.300 -0.141 0.000 1.047 236 V CB 1.143 32.899 31.823 -0.112 0.000 1.068 236 V HN 1.556 nan 8.190 nan 0.000 0.441 237 S N 0.596 116.234 115.700 -0.103 0.000 2.614 237 S HA 0.359 4.829 4.470 -0.001 0.000 0.265 237 S C 1.299 175.851 174.600 -0.080 0.000 1.303 237 S CA 0.017 58.162 58.200 -0.093 0.000 1.000 237 S CB 1.230 64.384 63.200 -0.076 0.000 0.935 237 S HN 2.130 nan 8.310 nan 0.000 0.551 238 V N -1.213 118.643 119.914 -0.097 0.000 2.490 238 V HA 0.005 4.124 4.120 -0.001 0.000 0.250 238 V C 2.512 178.588 176.094 -0.030 0.000 1.061 238 V CA 1.636 63.885 62.300 -0.085 0.000 1.064 238 V CB -2.026 29.674 31.823 -0.206 0.000 0.670 238 V HN 0.996 nan 8.190 nan 0.000 0.461 239 A N 0.749 123.547 122.820 -0.036 0.000 1.873 239 A HA -0.197 4.122 4.320 -0.001 0.000 0.215 239 A C 2.223 179.787 177.584 -0.033 0.000 1.186 239 A CA 1.994 54.017 52.037 -0.023 0.000 0.616 239 A CB -0.657 18.328 19.000 -0.025 0.000 0.823 239 A HN 0.628 nan 8.150 nan 0.000 0.442 240 E N 0.110 120.280 120.200 -0.050 0.000 2.150 240 E HA -0.007 4.342 4.350 -0.001 0.000 0.193 240 E C 1.928 178.491 176.600 -0.062 0.000 0.985 240 E CA 1.426 57.785 56.400 -0.069 0.000 0.814 240 E CB -0.769 28.880 29.700 -0.086 0.000 0.752 240 E HN 0.391 nan 8.360 nan 0.000 0.466 241 G N 0.771 109.548 108.800 -0.039 0.000 2.421 241 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.216 241 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.216 241 G C 1.747 176.657 174.900 0.016 0.000 1.171 241 G CA 0.867 45.965 45.100 -0.003 0.000 0.775 241 G HN 0.330 nan 8.290 nan 0.000 0.543 242 R N 0.264 120.770 120.500 0.011 0.000 2.080 242 R HA -0.042 4.297 4.340 -0.001 0.000 0.236 242 R C 2.582 178.880 176.300 -0.003 0.000 1.137 242 R CA 1.516 57.623 56.100 0.012 0.000 0.943 242 R CB -0.404 29.907 30.300 0.018 0.000 0.846 242 R HN 0.282 nan 8.270 nan 0.000 0.431 243 R N 0.628 121.116 120.500 -0.020 0.000 2.096 243 R HA -0.165 4.175 4.340 -0.001 0.000 0.240 243 R C 2.174 178.451 176.300 -0.037 0.000 1.139 243 R CA 2.008 58.087 56.100 -0.035 0.000 0.952 243 R CB -0.171 30.095 30.300 -0.057 0.000 0.854 243 R HN 0.317 nan 8.270 nan 0.000 0.436 244 R N -0.374 120.096 120.500 -0.049 0.000 2.115 244 R HA -0.031 4.309 4.340 -0.001 0.000 0.230 244 R C 2.326 178.671 176.300 0.076 0.000 1.111 244 R CA 1.116 57.180 56.100 -0.060 0.000 0.976 244 R CB -0.242 29.937 30.300 -0.202 0.000 0.870 244 R HN 0.257 nan 8.270 nan 0.000 0.445 245 A N 0.701 123.585 122.820 0.105 0.000 1.898 245 A HA -0.098 4.222 4.320 -0.001 0.000 0.216 245 A C 2.312 179.908 177.584 0.020 0.000 1.181 245 A CA 1.246 53.337 52.037 0.090 0.000 0.620 245 A CB -0.418 18.583 19.000 0.002 0.000 0.819 245 A HN 0.102 nan 8.150 nan 0.000 0.442 246 V N -0.074 119.844 119.914 0.006 0.000 2.358 246 V HA -0.198 3.921 4.120 -0.001 0.000 0.246 246 V C 2.583 178.680 176.094 0.005 0.000 1.047 246 V CA 2.305 64.604 62.300 -0.003 0.000 1.035 246 V CB -0.631 31.188 31.823 -0.007 0.000 0.658 246 V HN 0.683 nan 8.190 nan 0.000 0.452 247 E N 0.361 120.566 120.200 0.007 0.000 2.110 247 E HA -0.218 4.132 4.350 -0.001 0.000 0.193 247 E C 1.915 178.534 176.600 0.031 0.000 0.988 247 E CA 1.178 57.583 56.400 0.007 0.000 0.804 247 E CB -0.415 29.276 29.700 -0.015 0.000 0.745 247 E HN 0.437 nan 8.360 nan 0.000 0.458 248 L N -0.204 121.057 121.223 0.064 0.000 2.046 248 L HA 0.015 4.355 4.340 -0.001 0.000 0.208 248 L C 2.186 179.079 176.870 0.037 0.000 1.077 248 L CA 2.430 57.322 54.840 0.087 0.000 0.747 248 L CB -1.055 41.093 42.059 0.147 0.000 0.896 248 L HN 0.227 nan 8.230 nan 0.000 0.432 249 G N -1.021 107.787 108.800 0.014 0.000 2.432 249 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.219 249 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.219 249 G C 1.824 176.735 174.900 0.019 0.000 1.135 249 G CA 0.698 45.803 45.100 0.008 0.000 0.767 249 G HN 0.409 nan 8.290 nan 0.000 0.550 250 R N 0.344 120.855 120.500 0.019 0.000 2.148 250 R HA 0.020 4.360 4.340 -0.001 0.000 0.227 250 R C 2.061 178.377 176.300 0.027 0.000 1.103 250 R CA 0.934 57.045 56.100 0.020 0.000 0.983 250 R CB -0.237 30.071 30.300 0.014 0.000 0.874 250 R HN 0.303 nan 8.270 nan 0.000 0.451 251 N N 0.238 118.958 118.700 0.034 0.000 2.409 251 N HA -0.071 4.669 4.740 -0.001 0.000 0.179 251 N C 0.850 176.386 175.510 0.044 0.000 1.032 251 N CA 0.755 53.830 53.050 0.042 0.000 0.898 251 N CB 0.260 38.779 38.487 0.053 0.000 0.971 251 N HN 0.254 nan 8.380 nan 0.000 0.441 252 L N 0.993 122.240 121.223 0.040 0.000 2.818 252 L HA 0.205 4.544 4.340 -0.001 0.000 0.243 252 L C -0.408 176.485 176.870 0.038 0.000 1.185 252 L CA -0.197 54.668 54.840 0.042 0.000 0.988 252 L CB -0.118 41.967 42.059 0.043 0.000 1.292 252 L HN 0.012 nan 8.230 nan 0.000 0.519 253 N N 0.021 118.741 118.700 0.034 0.000 2.688 253 N HA -0.220 4.520 4.740 -0.001 0.000 0.258 253 N C 0.066 175.595 175.510 0.033 0.000 1.016 253 N CA 1.078 54.147 53.050 0.031 0.000 0.747 253 N CB -1.862 36.643 38.487 0.031 0.000 0.895 253 N HN 0.548 nan 8.380 nan 0.000 0.543 254 C N 0.471 119.789 119.300 0.031 0.000 2.351 254 C HA 0.564 5.024 4.460 -0.001 0.000 0.359 254 C C 1.207 176.214 174.990 0.028 0.000 1.193 254 C CA -0.731 58.309 59.018 0.035 0.000 2.270 254 C CB 0.899 28.660 27.740 0.034 0.000 2.369 254 C HN 0.527 nan 8.230 nan 0.000 0.553 255 N N 2.117 120.836 118.700 0.031 0.000 2.452 255 N HA 0.253 4.992 4.740 -0.001 0.000 0.266 255 N C 0.231 175.750 175.510 0.015 0.000 1.175 255 N CA 0.184 53.246 53.050 0.020 0.000 0.945 255 N CB 0.479 38.976 38.487 0.016 0.000 1.063 255 N HN 0.655 nan 8.380 nan 0.000 0.472 256 L N 2.749 123.977 121.223 0.009 0.000 2.769 256 L HA 0.201 4.540 4.340 -0.001 0.000 0.240 256 L C 1.302 178.173 176.870 0.002 0.000 1.163 256 L CA -0.284 54.559 54.840 0.005 0.000 0.962 256 L CB -0.113 41.949 42.059 0.004 0.000 1.258 256 L HN 0.418 nan 8.230 nan 0.000 0.513 257 N N 0.781 119.481 118.700 0.001 0.000 2.223 257 N HA -0.079 4.661 4.740 -0.001 0.000 0.185 257 N C 0.822 176.330 175.510 -0.003 0.000 1.016 257 N CA 1.039 54.088 53.050 -0.001 0.000 0.863 257 N CB 0.193 38.678 38.487 -0.003 0.000 0.983 257 N HN 0.452 nan 8.380 nan 0.000 0.429 258 S N -1.362 114.337 115.700 -0.002 0.000 2.607 258 S HA 0.359 4.829 4.470 -0.001 0.000 0.273 258 S C 0.013 174.613 174.600 -0.001 0.000 1.148 258 S CA -0.871 57.328 58.200 -0.002 0.000 0.833 258 S CB 2.028 65.225 63.200 -0.004 0.000 1.130 258 S HN -0.236 nan 8.310 nan 0.000 0.470 259 D N 1.064 121.462 120.400 -0.004 0.000 2.117 259 D HA -0.057 4.583 4.640 -0.001 0.000 0.197 259 D C 1.521 177.826 176.300 0.008 0.000 0.987 259 D CA 1.632 55.627 54.000 -0.007 0.000 0.829 259 D CB -0.248 40.544 40.800 -0.013 0.000 0.961 259 D HN 0.672 nan 8.370 nan 0.000 0.460 260 E N 0.747 120.956 120.200 0.015 0.000 2.097 260 E HA -0.188 4.162 4.350 -0.001 0.000 0.196 260 E C 1.988 178.621 176.600 0.056 0.000 1.000 260 E CA 1.012 57.433 56.400 0.035 0.000 0.804 260 E CB -0.221 29.490 29.700 0.018 0.000 0.740 260 E HN 0.285 nan 8.360 nan 0.000 0.454 261 E N -0.174 120.043 120.200 0.028 0.000 2.031 261 E HA -0.141 4.208 4.350 -0.001 0.000 0.193 261 E C 1.850 178.490 176.600 0.067 0.000 0.994 261 E CA 0.700 57.117 56.400 0.029 0.000 0.800 261 E CB -0.246 29.458 29.700 0.006 0.000 0.752 261 E HN 0.157 nan 8.360 nan 0.000 0.447 262 L N 0.656 121.902 121.223 0.038 0.000 1.989 262 L HA -0.144 4.196 4.340 -0.001 0.000 0.211 262 L C 2.030 178.921 176.870 0.036 0.000 1.071 262 L CA 1.723 56.577 54.840 0.024 0.000 0.749 262 L CB -0.572 41.479 42.059 -0.014 0.000 0.890 262 L HN 0.257 nan 8.230 nan 0.000 0.431 263 I N -0.926 119.664 120.570 0.033 0.000 2.163 263 I HA -0.343 3.827 4.170 -0.001 0.000 0.243 263 I C 2.633 178.838 176.117 0.146 0.000 1.085 263 I CA 1.624 62.959 61.300 0.058 0.000 1.347 263 I CB -0.795 37.239 38.000 0.057 0.000 1.044 263 I HN 0.492 nan 8.210 nan 0.000 0.408 264 H N 1.408 120.514 119.070 0.060 0.000 2.352 264 H HA -0.262 4.294 4.556 -0.001 0.000 0.299 264 H C 2.358 177.724 175.328 0.064 0.000 1.097 264 H CA 2.325 58.410 56.048 0.062 0.000 1.311 264 H CB -0.143 29.642 29.762 0.039 0.000 1.377 264 H HN 0.628 nan 8.280 nan 0.000 0.504 265 C N 1.470 120.911 119.300 0.235 0.000 2.429 265 C HA 0.001 4.461 4.460 -0.001 0.000 0.277 265 C C 3.175 178.215 174.990 0.083 0.000 1.262 265 C CA 0.891 60.007 59.018 0.163 0.000 1.733 265 C CB -1.257 26.562 27.740 0.131 0.000 2.010 265 C HN 0.528 nan 8.230 nan 0.000 0.483 266 L N -0.403 120.881 121.223 0.100 0.000 2.141 266 L HA -0.099 4.241 4.340 -0.001 0.000 0.209 266 L C 2.911 179.885 176.870 0.173 0.000 1.094 266 L CA 0.991 55.918 54.840 0.145 0.000 0.763 266 L CB -0.455 41.700 42.059 0.161 0.000 0.908 266 L HN 0.407 nan 8.230 nan 0.000 0.437 267 R N -0.372 120.199 120.500 0.119 0.000 2.280 267 R HA -0.070 4.270 4.340 -0.001 0.000 0.207 267 R C 1.562 177.822 176.300 -0.067 0.000 1.043 267 R CA 0.443 56.539 56.100 -0.005 0.000 1.006 267 R CB 0.075 30.345 30.300 -0.051 0.000 0.885 267 R HN 0.273 nan 8.270 nan 0.000 0.467 268 E N 0.548 120.708 120.200 -0.067 0.000 2.478 268 E HA 0.021 4.371 4.350 -0.001 0.000 0.194 268 E C -0.022 176.579 176.600 0.001 0.000 1.045 268 E CA 0.515 56.882 56.400 -0.054 0.000 0.868 268 E CB 0.313 29.983 29.700 -0.050 0.000 0.885 268 E HN 0.064 nan 8.360 nan 0.000 0.505 269 K N 1.521 121.937 120.400 0.028 0.000 2.185 269 K HA 0.221 4.541 4.320 -0.001 0.000 0.271 269 K C 0.474 177.111 176.600 0.062 0.000 1.013 269 K CA -0.226 56.091 56.287 0.050 0.000 0.943 269 K CB 1.123 33.662 32.500 0.066 0.000 0.998 269 K HN -0.098 nan 8.250 nan 0.000 0.468 270 K N 2.143 122.583 120.400 0.066 0.000 2.219 270 K HA 0.037 4.356 4.320 -0.001 0.000 0.258 270 K C -1.594 175.087 176.600 0.135 0.000 1.008 270 K CA -1.459 54.871 56.287 0.073 0.000 0.928 270 K CB 0.035 32.569 32.500 0.058 0.000 0.983 270 K HN 0.173 nan 8.250 nan 0.000 0.484 271 P HA -0.211 nan 4.420 nan 0.000 0.215 271 P C 1.139 178.632 177.300 0.321 0.000 1.157 271 P CA 1.199 64.489 63.100 0.316 0.000 0.868 271 P CB 0.228 31.952 31.700 0.040 0.000 0.788 272 Q N 0.154 120.063 119.800 0.182 0.000 2.297 272 Q HA -0.194 4.145 4.340 -0.001 0.000 0.208 272 Q C 1.776 177.873 176.000 0.160 0.000 0.981 272 Q CA 1.596 57.499 55.803 0.168 0.000 0.876 272 Q CB -0.814 27.990 28.738 0.111 0.000 0.921 272 Q HN 0.373 nan 8.270 nan 0.000 0.446 273 E N -1.070 119.214 120.200 0.140 0.000 2.107 273 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 273 E C 1.538 178.203 176.600 0.108 0.000 0.982 273 E CA 0.742 57.209 56.400 0.112 0.000 0.809 273 E CB 0.033 29.786 29.700 0.088 0.000 0.756 273 E HN 0.238 nan 8.360 nan 0.000 0.459 274 L N 0.747 122.033 121.223 0.105 0.000 2.072 274 L HA -0.108 4.232 4.340 -0.001 0.000 0.205 274 L C 2.182 179.099 176.870 0.078 0.000 1.079 274 L CA 1.325 56.181 54.840 0.028 0.000 0.752 274 L CB -0.327 41.646 42.059 -0.143 0.000 0.906 274 L HN 0.138 nan 8.230 nan 0.000 0.436 275 I N -0.488 120.188 120.570 0.175 0.000 2.286 275 I HA -0.281 3.888 4.170 -0.001 0.000 0.248 275 I C 1.711 177.990 176.117 0.271 0.000 1.115 275 I CA 1.052 62.503 61.300 0.252 0.000 1.392 275 I CB -0.419 37.782 38.000 0.336 0.000 1.065 275 I HN 0.251 nan 8.210 nan 0.000 0.418 276 D N 0.326 120.862 120.400 0.226 0.000 2.309 276 D HA -0.098 4.542 4.640 -0.001 0.000 0.212 276 D C 1.806 178.229 176.300 0.205 0.000 0.968 276 D CA 1.271 55.405 54.000 0.223 0.000 0.882 276 D CB 0.157 41.054 40.800 0.162 0.000 0.918 276 D HN 0.406 nan 8.370 nan 0.000 0.503 277 V N -3.057 116.959 119.914 0.169 0.000 3.432 277 V HA 0.199 4.319 4.120 -0.001 0.000 0.298 277 V C 1.767 177.942 176.094 0.135 0.000 1.464 277 V CA -0.152 62.235 62.300 0.145 0.000 1.046 277 V CB 0.399 32.286 31.823 0.107 0.000 0.887 277 V HN -0.104 nan 8.190 nan 0.000 0.441 278 E N 0.963 121.233 120.200 0.117 0.000 2.108 278 E HA -0.287 4.062 4.350 -0.001 0.000 0.203 278 E C 1.537 178.066 176.600 -0.118 0.000 1.022 278 E CA 2.833 59.258 56.400 0.042 0.000 0.823 278 E CB -0.238 29.401 29.700 -0.102 0.000 0.744 278 E HN 0.818 nan 8.360 nan 0.000 0.456 279 W N 0.706 121.996 121.300 -0.017 0.000 2.825 279 W HA 0.010 4.670 4.660 -0.001 0.000 0.243 279 W C 1.561 178.042 176.519 -0.064 0.000 1.293 279 W CA 0.027 57.318 57.345 -0.090 0.000 1.403 279 W CB 0.005 29.373 29.460 -0.154 0.000 1.134 279 W HN 0.096 nan 8.180 nan 0.000 0.666 280 N N 0.130 118.917 118.700 0.145 0.000 2.521 280 N HA -0.080 4.659 4.740 -0.001 0.000 0.188 280 N C 1.665 177.187 175.510 0.019 0.000 1.146 280 N CA 1.244 54.345 53.050 0.084 0.000 0.893 280 N CB -0.356 38.178 38.487 0.079 0.000 0.975 280 N HN 0.263 nan 8.380 nan 0.000 0.451 281 V N -2.345 117.549 119.914 -0.033 0.000 3.647 281 V HA 0.259 4.379 4.120 -0.001 0.000 0.279 281 V C 0.778 176.783 176.094 -0.148 0.000 1.314 281 V CA -0.148 62.093 62.300 -0.097 0.000 1.125 281 V CB -0.576 31.165 31.823 -0.137 0.000 0.907 281 V HN -0.023 nan 8.190 nan 0.000 0.434 282 L N 2.468 123.623 121.223 -0.113 0.000 2.514 282 L HA 0.168 4.507 4.340 -0.001 0.000 0.280 282 L C -0.251 176.519 176.870 -0.167 0.000 1.223 282 L CA -0.710 54.058 54.840 -0.119 0.000 0.864 282 L CB 0.586 42.638 42.059 -0.012 0.000 1.118 282 L HN 0.175 nan 8.230 nan 0.000 0.494 283 P HA -0.049 nan 4.420 nan 0.000 0.222 283 P C -0.157 176.752 177.300 -0.651 0.000 1.153 283 P CA 1.143 63.900 63.100 -0.571 0.000 0.798 283 P CB 0.307 31.491 31.700 -0.859 0.000 0.796 284 F N -0.458 119.493 119.950 0.000 0.000 2.611 284 F HA 0.382 4.908 4.527 -0.001 0.000 0.324 284 F C 0.461 176.270 175.800 0.015 0.000 1.061 284 F CA -1.693 56.314 58.000 0.012 0.000 0.954 284 F CB 0.231 39.245 39.000 0.023 0.000 1.301 284 F HN -0.344 nan 8.300 nan 0.000 0.482 285 D N 1.350 121.893 120.400 0.239 0.000 2.358 285 D HA 0.384 5.023 4.640 -0.001 0.000 0.258 285 D C -0.552 175.826 176.300 0.130 0.000 1.223 285 D CA 0.527 54.605 54.000 0.131 0.000 0.886 285 D CB 0.430 41.287 40.800 0.096 0.000 1.120 285 D HN 0.631 nan 8.370 nan 0.000 0.482 286 S N 3.133 118.895 115.700 0.103 0.000 2.643 286 S HA 0.588 5.058 4.470 -0.001 0.000 0.270 286 S C -0.784 173.852 174.600 0.060 0.000 1.166 286 S CA -1.044 57.208 58.200 0.088 0.000 0.815 286 S CB 1.015 64.291 63.200 0.126 0.000 1.139 286 S HN 0.452 nan 8.310 nan 0.000 0.472 287 I N 0.317 120.922 120.570 0.059 0.000 2.785 287 I HA 0.647 4.816 4.170 -0.001 0.000 0.302 287 I C -0.826 175.332 176.117 0.069 0.000 1.069 287 I CA -0.954 60.393 61.300 0.077 0.000 1.045 287 I CB 1.513 39.565 38.000 0.087 0.000 1.236 287 I HN 0.914 nan 8.210 nan 0.000 0.429 288 F N 4.826 124.672 119.950 -0.173 0.000 3.091 288 F HA -0.215 4.312 4.527 -0.001 0.000 0.288 288 F C -0.582 174.721 175.800 -0.828 0.000 0.907 288 F CA 0.558 58.192 58.000 -0.610 0.000 1.028 288 F CB -0.677 37.866 39.000 -0.762 0.000 1.022 288 F HN 0.476 nan 8.300 nan 0.000 0.665 289 R N 0.568 120.715 120.500 -0.588 0.000 2.575 289 R HA 0.564 4.903 4.340 -0.001 0.000 0.293 289 R C -0.924 175.038 176.300 -0.564 0.000 0.983 289 R CA -0.542 55.250 56.100 -0.514 0.000 0.887 289 R CB 1.175 31.411 30.300 -0.106 0.000 1.184 289 R HN -0.019 nan 8.270 nan 0.000 0.445 290 F N -0.469 119.599 119.950 0.197 0.000 2.522 290 F HA 0.388 4.914 4.527 -0.001 0.000 0.324 290 F C 1.681 177.394 175.800 -0.145 0.000 1.077 290 F CA -0.889 57.139 58.000 0.048 0.000 0.944 290 F CB 1.501 40.630 39.000 0.214 0.000 1.175 290 F HN 0.355 nan 8.300 nan 0.000 0.468 291 S N 0.728 116.280 115.700 -0.246 0.000 2.344 291 S HA -0.080 4.390 4.470 -0.001 0.000 0.217 291 S C 0.143 174.296 174.600 -0.745 0.000 1.033 291 S CA 1.277 59.113 58.200 -0.607 0.000 1.017 291 S CB -0.293 62.354 63.200 -0.921 0.000 0.941 291 S HN 0.349 nan 8.310 nan 0.000 0.430 292 F N 1.800 121.747 119.950 -0.005 0.000 2.332 292 F HA 0.548 5.074 4.527 -0.001 0.000 0.368 292 F C 0.106 175.913 175.800 0.012 0.000 1.110 292 F CA -0.948 57.085 58.000 0.056 0.000 1.087 292 F CB 0.901 39.970 39.000 0.115 0.000 1.235 292 F HN -0.052 nan 8.300 nan 0.000 0.470 293 V N 0.834 120.733 119.914 -0.024 0.000 3.158 293 V HA 0.763 4.883 4.120 -0.001 0.000 0.311 293 V C -2.882 172.961 176.094 -0.419 0.000 1.181 293 V CA -3.337 58.671 62.300 -0.486 0.000 1.054 293 V CB 1.945 33.619 31.823 -0.249 0.000 1.085 293 V HN 0.246 nan 8.190 nan 0.000 0.446 294 P HA 0.239 nan 4.420 nan 0.000 0.267 294 P C -0.913 176.311 177.300 -0.127 0.000 1.201 294 P CA 0.312 63.264 63.100 -0.248 0.000 0.775 294 P CB 0.681 32.148 31.700 -0.387 0.000 0.854 295 V N 4.195 124.122 119.914 0.022 0.000 2.656 295 V HA 0.335 4.455 4.120 -0.001 0.000 0.307 295 V C -0.551 175.591 176.094 0.079 0.000 1.051 295 V CA -1.027 61.272 62.300 -0.003 0.000 0.893 295 V CB 1.428 33.261 31.823 0.018 0.000 0.999 295 V HN 0.226 nan 8.190 nan 0.000 0.426 296 I N 7.072 127.617 120.570 -0.040 0.000 2.453 296 I HA 0.185 4.355 4.170 -0.001 0.000 0.300 296 I C 0.978 177.106 176.117 0.018 0.000 1.159 296 I CA 0.364 61.671 61.300 0.011 0.000 1.379 296 I CB -0.241 37.691 38.000 -0.112 0.000 1.460 296 I HN 0.840 nan 8.210 nan 0.000 0.601 297 D N 3.395 123.867 120.400 0.119 0.000 2.367 297 D HA 0.069 4.708 4.640 -0.001 0.000 0.207 297 D C 1.392 177.703 176.300 0.018 0.000 1.034 297 D CA 0.755 54.739 54.000 -0.027 0.000 0.861 297 D CB 0.522 41.386 40.800 0.107 0.000 0.943 297 D HN 0.645 nan 8.370 nan 0.000 0.515 298 G N 0.402 109.264 108.800 0.104 0.000 2.176 298 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.253 298 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.253 298 G C 0.786 175.751 174.900 0.109 0.000 0.979 298 G CA 0.560 45.719 45.100 0.099 0.000 0.641 298 G HN 0.465 nan 8.290 nan 0.000 0.530 299 E N -1.513 118.763 120.200 0.126 0.000 2.538 299 E HA 0.385 4.735 4.350 -0.001 0.000 0.188 299 E C 1.749 178.366 176.600 0.029 0.000 1.014 299 E CA -0.177 56.272 56.400 0.083 0.000 1.140 299 E CB -0.021 29.744 29.700 0.108 0.000 1.262 299 E HN 0.195 nan 8.360 nan 0.000 0.488 300 F N 0.861 120.726 119.950 -0.143 0.000 2.171 300 F HA 0.001 4.527 4.527 -0.001 0.000 0.300 300 F C 0.159 175.641 175.800 -0.529 0.000 1.090 300 F CA 1.080 58.849 58.000 -0.384 0.000 1.293 300 F CB 0.330 38.992 39.000 -0.564 0.000 1.013 300 F HN -0.128 nan 8.300 nan 0.000 0.486 301 F N 0.804 120.902 119.950 0.248 0.000 2.382 301 F HA 0.364 4.891 4.527 -0.001 0.000 0.361 301 F C -1.607 174.234 175.800 0.068 0.000 1.109 301 F CA -2.943 55.143 58.000 0.143 0.000 1.031 301 F CB 0.581 39.656 39.000 0.125 0.000 1.234 301 F HN -0.237 nan 8.300 nan 0.000 0.445 302 P HA -0.137 nan 4.420 nan 0.000 0.215 302 P C 0.564 177.923 177.300 0.099 0.000 1.163 302 P CA 1.998 65.156 63.100 0.097 0.000 0.894 302 P CB 0.179 31.914 31.700 0.058 0.000 0.791 303 T N -6.077 108.544 114.554 0.111 0.000 2.591 303 T HA 0.472 4.821 4.350 -0.001 0.000 0.274 303 T C -0.078 174.661 174.700 0.065 0.000 0.945 303 T CA -0.585 61.558 62.100 0.072 0.000 1.087 303 T CB 0.540 69.436 68.868 0.046 0.000 1.416 303 T HN -0.004 nan 8.240 nan 0.000 0.514 304 S N -0.046 115.668 115.700 0.024 0.000 2.576 304 S HA 0.236 4.705 4.470 -0.001 0.000 0.272 304 S C 1.422 176.020 174.600 -0.002 0.000 1.352 304 S CA -0.765 57.427 58.200 -0.013 0.000 1.021 304 S CB -0.299 62.891 63.200 -0.017 0.000 0.887 304 S HN 0.635 nan 8.310 nan 0.000 0.542 305 L N 0.339 121.526 121.223 -0.061 0.000 2.056 305 L HA -0.067 4.272 4.340 -0.001 0.000 0.207 305 L C 2.913 179.812 176.870 0.048 0.000 1.078 305 L CA 1.690 56.513 54.840 -0.029 0.000 0.749 305 L CB -0.718 41.263 42.059 -0.131 0.000 0.901 305 L HN 0.773 nan 8.230 nan 0.000 0.433 306 E N 0.630 120.855 120.200 0.040 0.000 2.077 306 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 306 E C 2.280 178.935 176.600 0.092 0.000 0.989 306 E CA 1.687 58.143 56.400 0.093 0.000 0.800 306 E CB -0.080 29.666 29.700 0.076 0.000 0.746 306 E HN 0.474 nan 8.360 nan 0.000 0.452 307 S N -0.644 115.093 115.700 0.062 0.000 2.406 307 S HA -0.126 4.343 4.470 -0.001 0.000 0.228 307 S C 2.107 176.744 174.600 0.063 0.000 1.020 307 S CA 1.129 59.362 58.200 0.056 0.000 0.965 307 S CB -0.313 62.909 63.200 0.036 0.000 0.798 307 S HN 0.230 nan 8.310 nan 0.000 0.488 308 M N 0.951 120.604 119.600 0.088 0.000 2.099 308 M HA 0.074 4.554 4.480 -0.001 0.000 0.262 308 M C 2.210 178.633 176.300 0.205 0.000 1.067 308 M CA 1.353 56.728 55.300 0.125 0.000 1.124 308 M CB -0.623 32.083 32.600 0.178 0.000 1.353 308 M HN 0.300 nan 8.290 nan 0.000 0.410 309 L N -0.099 121.254 121.223 0.216 0.000 2.093 309 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 309 L C 2.213 179.224 176.870 0.235 0.000 1.085 309 L CA 0.839 55.831 54.840 0.255 0.000 0.755 309 L CB -0.746 41.382 42.059 0.115 0.000 0.904 309 L HN 0.388 nan 8.230 nan 0.000 0.435 310 N N -0.341 118.446 118.700 0.145 0.000 2.270 310 N HA -0.112 4.628 4.740 -0.001 0.000 0.181 310 N C 1.866 177.433 175.510 0.095 0.000 1.016 310 N CA 1.609 54.744 53.050 0.141 0.000 0.870 310 N CB 0.079 38.632 38.487 0.109 0.000 0.979 310 N HN 0.322 nan 8.380 nan 0.000 0.431 311 S N -1.078 114.596 115.700 -0.043 0.000 2.575 311 S HA 0.251 4.721 4.470 -0.001 0.000 0.215 311 S C 1.265 175.484 174.600 -0.634 0.000 0.966 311 S CA 0.401 58.497 58.200 -0.173 0.000 0.911 311 S CB 0.308 63.440 63.200 -0.113 0.000 0.780 311 S HN 0.340 nan 8.310 nan 0.000 0.514 312 G N 2.004 110.158 108.800 -1.077 0.000 2.160 312 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.251 312 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.251 312 G C 0.005 173.992 174.900 -1.522 0.000 1.008 312 G CA 0.105 43.892 45.100 -2.188 0.000 0.724 312 G HN 0.602 nan 8.290 nan 0.000 0.514 313 N N 0.654 118.917 118.700 -0.729 0.000 2.895 313 N HA 0.505 5.244 4.740 -0.001 0.000 0.277 313 N C -0.167 175.269 175.510 -0.123 0.000 1.185 313 N CA -0.032 52.800 53.050 -0.364 0.000 1.106 313 N CB -0.896 37.514 38.487 -0.127 0.000 1.422 313 N HN 0.717 nan 8.380 nan 0.000 0.521 314 F N -1.108 118.781 119.950 -0.102 0.000 2.799 314 F HA 0.372 4.898 4.527 -0.000 0.000 0.316 314 F C -0.375 175.436 175.800 0.019 0.000 1.155 314 F CA -1.418 56.591 58.000 0.016 0.000 0.916 314 F CB 0.579 39.649 39.000 0.117 0.000 1.294 314 F HN -0.154 nan 8.300 nan 0.000 0.447 315 K N 1.707 122.335 120.400 0.380 0.000 2.447 315 K HA 0.186 4.506 4.320 -0.001 0.000 0.281 315 K C -1.053 175.771 176.600 0.374 0.000 1.031 315 K CA -0.077 56.352 56.287 0.236 0.000 1.019 315 K CB 0.486 33.077 32.500 0.151 0.000 0.918 315 K HN 0.673 nan 8.250 nan 0.000 0.476 316 K N 2.702 123.203 120.400 0.168 0.000 2.263 316 K HA 0.210 4.530 4.320 -0.001 0.000 0.272 316 K C -0.247 176.461 176.600 0.180 0.000 1.033 316 K CA -0.233 56.152 56.287 0.164 0.000 0.884 316 K CB 1.884 34.395 32.500 0.019 0.000 1.107 316 K HN 0.680 nan 8.250 nan 0.000 0.460 317 T N 1.315 116.057 114.554 0.314 0.000 2.627 317 T HA 0.296 4.645 4.350 -0.001 0.000 0.294 317 T C -1.446 173.443 174.700 0.315 0.000 1.230 317 T CA -0.650 61.589 62.100 0.232 0.000 1.084 317 T CB 0.576 69.550 68.868 0.176 0.000 1.693 317 T HN 0.387 nan 8.240 nan 0.000 0.465 318 Q N 0.937 120.891 119.800 0.257 0.000 2.235 318 Q HA 0.775 5.115 4.340 -0.001 0.000 0.256 318 Q C -0.458 175.811 176.000 0.448 0.000 0.951 318 Q CA -0.500 55.507 55.803 0.339 0.000 0.890 318 Q CB 1.512 30.438 28.738 0.313 0.000 1.279 318 Q HN 0.683 nan 8.270 nan 0.000 0.444 319 I N -1.478 119.317 120.570 0.375 0.000 2.769 319 I HA 0.692 4.861 4.170 -0.001 0.000 0.298 319 I C -1.522 174.502 176.117 -0.155 0.000 1.128 319 I CA -1.355 60.056 61.300 0.186 0.000 1.031 319 I CB 1.886 39.809 38.000 -0.129 0.000 1.235 319 I HN 0.530 nan 8.210 nan 0.000 0.423 320 L N 6.686 127.610 121.223 -0.498 0.000 2.381 320 L HA 0.810 5.149 4.340 -0.001 0.000 0.274 320 L C -1.300 175.375 176.870 -0.324 0.000 0.988 320 L CA -0.549 53.861 54.840 -0.716 0.000 0.824 320 L CB 1.694 42.790 42.059 -1.605 0.000 1.263 320 L HN 0.848 nan 8.230 nan 0.000 0.410 321 L N 2.330 123.481 121.223 -0.121 0.000 2.720 321 L HA 1.095 5.434 4.340 -0.001 0.000 0.261 321 L C -0.857 175.836 176.870 -0.297 0.000 1.046 321 L CA -0.437 54.368 54.840 -0.058 0.000 0.886 321 L CB 1.858 43.869 42.059 -0.081 0.000 1.493 321 L HN 0.677 nan 8.230 nan 0.000 0.407 322 G N -0.111 108.319 108.800 -0.616 0.000 2.430 322 G HA2 0.592 4.551 3.960 -0.001 0.000 0.300 322 G HA3 0.592 4.551 3.960 -0.001 0.000 0.300 322 G C -1.511 173.059 174.900 -0.550 0.000 1.330 322 G CA 0.012 44.407 45.100 -1.177 0.000 0.813 322 G HN 1.511 nan 8.290 nan 0.000 0.487 323 V N -2.585 117.161 119.914 -0.280 0.000 3.167 323 V HA 0.871 4.991 4.120 -0.001 0.000 0.310 323 V C -0.962 175.230 176.094 0.163 0.000 1.207 323 V CA -1.428 60.914 62.300 0.069 0.000 1.059 323 V CB 1.878 33.766 31.823 0.108 0.000 1.079 323 V HN 0.670 nan 8.190 nan 0.000 0.446 324 N N 0.771 119.578 118.700 0.178 0.000 2.466 324 N HA 0.431 5.170 4.740 -0.001 0.000 0.294 324 N C 0.557 176.029 175.510 -0.063 0.000 1.129 324 N CA -0.539 52.597 53.050 0.143 0.000 0.931 324 N CB 1.759 40.427 38.487 0.302 0.000 1.193 324 N HN 0.910 nan 8.380 nan 0.000 0.500 325 K N 0.109 120.367 120.400 -0.237 0.000 2.063 325 K HA -0.077 4.243 4.320 -0.001 0.000 0.208 325 K C -0.627 176.062 176.600 0.148 0.000 1.048 325 K CA 1.281 57.501 56.287 -0.111 0.000 0.928 325 K CB 0.198 32.659 32.500 -0.065 0.000 0.713 325 K HN 0.525 nan 8.250 nan 0.000 0.442 326 D N 1.114 121.604 120.400 0.149 0.000 2.795 326 D HA 0.036 4.676 4.640 -0.001 0.000 0.335 326 D C 0.184 176.613 176.300 0.215 0.000 1.262 326 D CA -0.079 54.031 54.000 0.182 0.000 0.885 326 D CB 1.192 42.084 40.800 0.153 0.000 1.047 326 D HN 0.160 nan 8.370 nan 0.000 0.500 327 E N 0.480 120.820 120.200 0.235 0.000 2.160 327 E HA -0.136 4.213 4.350 -0.001 0.000 0.195 327 E C 1.927 178.698 176.600 0.286 0.000 0.991 327 E CA 0.781 57.353 56.400 0.286 0.000 0.810 327 E CB 0.126 29.971 29.700 0.242 0.000 0.742 327 E HN 0.419 nan 8.360 nan 0.000 0.466 328 G N 1.125 110.070 108.800 0.241 0.000 2.683 328 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.213 328 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.213 328 G C 1.698 176.770 174.900 0.287 0.000 1.142 328 G CA 0.728 45.997 45.100 0.282 0.000 0.793 328 G HN 0.353 nan 8.290 nan 0.000 0.534 329 S N 0.621 116.449 115.700 0.214 0.000 2.387 329 S HA -0.196 4.273 4.470 -0.001 0.000 0.230 329 S C 2.055 176.672 174.600 0.028 0.000 1.035 329 S CA 1.151 59.442 58.200 0.151 0.000 1.014 329 S CB -0.568 62.642 63.200 0.016 0.000 0.836 329 S HN 0.187 nan 8.310 nan 0.000 0.466 330 F N 1.878 121.722 119.950 -0.175 0.000 2.134 330 F HA 0.059 4.585 4.527 -0.001 0.000 0.299 330 F C 1.747 177.261 175.800 -0.476 0.000 1.097 330 F CA 0.961 58.685 58.000 -0.460 0.000 1.264 330 F CB -0.514 38.049 39.000 -0.728 0.000 1.001 330 F HN 0.176 nan 8.300 nan 0.000 0.479 331 F N -0.698 119.276 119.950 0.040 0.000 2.407 331 F HA -0.057 4.470 4.527 -0.001 0.000 0.299 331 F C 2.063 177.842 175.800 -0.034 0.000 1.097 331 F CA 0.680 58.658 58.000 -0.038 0.000 1.422 331 F CB -0.886 38.027 39.000 -0.146 0.000 1.067 331 F HN -0.096 nan 8.300 nan 0.000 0.539 332 L N -0.870 120.360 121.223 0.012 0.000 2.095 332 L HA -0.120 4.219 4.340 -0.001 0.000 0.204 332 L C 2.400 179.143 176.870 -0.211 0.000 1.080 332 L CA 0.395 55.015 54.840 -0.366 0.000 0.759 332 L CB -0.577 40.895 42.059 -0.978 0.000 0.914 332 L HN 0.133 nan 8.230 nan 0.000 0.439 333 L N -0.976 120.309 121.223 0.103 0.000 2.042 333 L HA -0.257 4.083 4.340 -0.001 0.000 0.210 333 L C 2.298 179.334 176.870 0.277 0.000 1.076 333 L CA 2.070 57.116 54.840 0.344 0.000 0.749 333 L CB -0.620 41.612 42.059 0.289 0.000 0.893 333 L HN 0.127 nan 8.230 nan 0.000 0.432 334 Y N -0.784 119.543 120.300 0.045 0.000 2.365 334 Y HA 0.211 4.761 4.550 -0.001 0.000 0.293 334 Y C 2.332 178.234 175.900 0.002 0.000 1.119 334 Y CA 0.980 59.103 58.100 0.039 0.000 1.203 334 Y CB -0.351 38.118 38.460 0.015 0.000 1.026 334 Y HN 0.261 nan 8.280 nan 0.000 0.549 335 G N -1.634 107.254 108.800 0.147 0.000 3.342 335 G HA2 0.447 4.406 3.960 -0.001 0.000 0.252 335 G HA3 0.447 4.406 3.960 -0.001 0.000 0.252 335 G C -0.109 174.826 174.900 0.058 0.000 1.011 335 G CA 0.370 45.514 45.100 0.073 0.000 0.869 335 G HN 0.271 nan 8.290 nan 0.000 0.514 336 A N 1.811 124.663 122.820 0.053 0.000 2.292 336 A HA 0.774 5.093 4.320 -0.001 0.000 0.319 336 A C -2.425 175.313 177.584 0.257 0.000 1.206 336 A CA -1.583 50.515 52.037 0.102 0.000 0.835 336 A CB 1.143 20.129 19.000 -0.022 0.000 1.164 336 A HN 0.071 nan 8.150 nan 0.000 0.505 337 P HA 0.215 nan 4.420 nan 0.000 0.265 337 P C 0.875 178.264 177.300 0.149 0.000 1.193 337 P CA 1.541 64.726 63.100 0.142 0.000 0.765 337 P CB 1.037 32.785 31.700 0.080 0.000 0.823 338 G N 2.046 110.873 108.800 0.046 0.000 2.232 338 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.226 338 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.226 338 G C -0.247 174.478 174.900 -0.292 0.000 0.996 338 G CA -0.499 44.516 45.100 -0.143 0.000 0.626 338 G HN 0.429 nan 8.290 nan 0.000 0.509 339 F N 2.237 122.123 119.950 -0.107 0.000 2.404 339 F HA 0.735 5.262 4.527 -0.001 0.000 0.345 339 F C 0.675 176.462 175.800 -0.022 0.000 1.110 339 F CA -0.383 57.517 58.000 -0.168 0.000 1.130 339 F CB 2.120 41.064 39.000 -0.095 0.000 1.129 339 F HN 0.026 nan 8.300 nan 0.000 0.500 340 S N 1.847 117.634 115.700 0.145 0.000 2.549 340 S HA 0.272 4.742 4.470 -0.001 0.000 0.280 340 S C 0.655 175.473 174.600 0.364 0.000 1.109 340 S CA -1.095 57.230 58.200 0.208 0.000 0.905 340 S CB 2.245 65.494 63.200 0.082 0.000 1.081 340 S HN 0.724 nan 8.310 nan 0.000 0.477 341 K N 0.778 121.342 120.400 0.272 0.000 2.148 341 K HA -0.049 4.271 4.320 -0.001 0.000 0.204 341 K C -0.096 176.571 176.600 0.113 0.000 1.050 341 K CA 1.359 57.737 56.287 0.152 0.000 0.942 341 K CB 0.056 32.375 32.500 -0.302 0.000 0.724 341 K HN 0.453 nan 8.250 nan 0.000 0.446 342 D N 0.544 120.986 120.400 0.070 0.000 2.358 342 D HA 0.027 4.667 4.640 -0.001 0.000 0.224 342 D C -0.173 176.171 176.300 0.074 0.000 1.123 342 D CA 0.137 54.159 54.000 0.037 0.000 0.833 342 D CB 0.766 41.554 40.800 -0.019 0.000 0.946 342 D HN 0.197 nan 8.370 nan 0.000 0.505 343 S N -1.299 114.476 115.700 0.124 0.000 2.661 343 S HA 0.335 4.805 4.470 -0.001 0.000 0.285 343 S C 0.734 175.368 174.600 0.058 0.000 1.138 343 S CA -0.758 57.474 58.200 0.053 0.000 0.855 343 S CB 2.325 65.510 63.200 -0.025 0.000 1.136 343 S HN -0.141 nan 8.310 nan 0.000 0.484 344 E N 0.808 120.996 120.200 -0.021 0.000 2.409 344 E HA 0.026 4.375 4.350 -0.001 0.000 0.198 344 E C -0.329 176.020 176.600 -0.418 0.000 1.024 344 E CA 0.593 56.957 56.400 -0.061 0.000 0.861 344 E CB -0.285 29.395 29.700 -0.034 0.000 0.788 344 E HN 0.715 nan 8.360 nan 0.000 0.521 345 S N 1.105 116.507 115.700 -0.497 0.000 3.628 345 S HA -0.175 4.295 4.470 -0.001 0.000 0.373 345 S C -0.287 173.925 174.600 -0.646 0.000 0.968 345 S CA 0.658 58.413 58.200 -0.741 0.000 1.215 345 S CB -1.181 61.191 63.200 -1.379 0.000 0.912 345 S HN 0.278 nan 8.310 nan 0.000 0.495 346 K N 0.940 121.109 120.400 -0.385 0.000 2.368 346 K HA 0.304 4.624 4.320 -0.001 0.000 0.282 346 K C 0.356 176.765 176.600 -0.319 0.000 1.035 346 K CA -0.153 55.962 56.287 -0.286 0.000 0.973 346 K CB 0.434 32.830 32.500 -0.173 0.000 0.957 346 K HN 0.223 nan 8.250 nan 0.000 0.474 347 I N 2.547 122.939 120.570 -0.297 0.000 2.392 347 I HA 0.076 4.245 4.170 -0.001 0.000 0.295 347 I C 1.009 177.058 176.117 -0.114 0.000 0.985 347 I CA -0.318 60.833 61.300 -0.248 0.000 1.221 347 I CB 1.329 39.181 38.000 -0.246 0.000 1.366 347 I HN 0.692 nan 8.210 nan 0.000 0.467 348 S N 6.628 122.281 115.700 -0.079 0.000 2.655 348 S HA 0.361 4.831 4.470 -0.001 0.000 0.265 348 S C 1.203 175.814 174.600 0.018 0.000 1.240 348 S CA -0.538 57.639 58.200 -0.039 0.000 0.986 348 S CB 1.440 64.622 63.200 -0.030 0.000 0.985 348 S HN 0.508 nan 8.310 nan 0.000 0.562 349 R N 1.048 121.557 120.500 0.015 0.000 2.092 349 R HA -0.057 4.283 4.340 -0.001 0.000 0.231 349 R C 2.176 178.553 176.300 0.129 0.000 1.119 349 R CA 1.500 57.634 56.100 0.058 0.000 0.970 349 R CB -0.982 29.341 30.300 0.038 0.000 0.864 349 R HN 0.797 nan 8.270 nan 0.000 0.440 350 E N 0.753 121.001 120.200 0.079 0.000 2.023 350 E HA -0.196 4.154 4.350 -0.001 0.000 0.196 350 E C 1.497 178.148 176.600 0.086 0.000 1.003 350 E CA 1.202 57.647 56.400 0.074 0.000 0.809 350 E CB -0.405 29.319 29.700 0.041 0.000 0.755 350 E HN 0.320 nan 8.360 nan 0.000 0.449 351 D N 0.053 120.495 120.400 0.071 0.000 2.264 351 D HA -0.089 4.551 4.640 -0.001 0.000 0.208 351 D C 1.709 178.078 176.300 0.115 0.000 0.966 351 D CA 0.332 54.374 54.000 0.070 0.000 0.864 351 D CB -0.358 40.453 40.800 0.019 0.000 0.933 351 D HN 0.082 nan 8.370 nan 0.000 0.499 352 F N 1.277 121.234 119.950 0.013 0.000 2.075 352 F HA -0.131 4.396 4.527 -0.001 0.000 0.297 352 F C 2.314 178.143 175.800 0.048 0.000 1.113 352 F CA 1.341 59.360 58.000 0.032 0.000 1.218 352 F CB -0.229 38.769 39.000 -0.004 0.000 0.984 352 F HN -0.186 nan 8.300 nan 0.000 0.472 353 M N -0.980 118.694 119.600 0.123 0.000 2.296 353 M HA -0.178 4.302 4.480 -0.001 0.000 0.265 353 M C 2.343 178.623 176.300 -0.033 0.000 1.064 353 M CA 1.289 56.606 55.300 0.027 0.000 1.109 353 M CB -0.568 32.116 32.600 0.140 0.000 1.396 353 M HN 0.109 nan 8.290 nan 0.000 0.430 354 S N 0.442 116.142 115.700 0.001 0.000 2.368 354 S HA -0.061 4.409 4.470 -0.001 0.000 0.224 354 S C 1.952 176.536 174.600 -0.026 0.000 1.029 354 S CA 1.438 59.640 58.200 0.003 0.000 0.988 354 S CB -0.436 62.783 63.200 0.033 0.000 0.838 354 S HN 0.665 nan 8.310 nan 0.000 0.462 355 G N 0.646 109.414 108.800 -0.053 0.000 2.408 355 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.217 355 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.217 355 G C 1.443 176.251 174.900 -0.154 0.000 1.150 355 G CA 0.863 45.920 45.100 -0.071 0.000 0.776 355 G HN 0.422 nan 8.290 nan 0.000 0.542 356 V N 0.932 120.688 119.914 -0.264 0.000 2.343 356 V HA -0.155 3.965 4.120 -0.001 0.000 0.247 356 V C 2.714 178.737 176.094 -0.120 0.000 1.051 356 V CA 2.266 64.428 62.300 -0.230 0.000 1.036 356 V CB -0.307 31.360 31.823 -0.260 0.000 0.654 356 V HN 0.381 nan 8.190 nan 0.000 0.451 357 K N 0.085 120.430 120.400 -0.092 0.000 2.097 357 K HA -0.162 4.158 4.320 -0.001 0.000 0.206 357 K C 1.767 178.330 176.600 -0.062 0.000 1.049 357 K CA 1.604 57.848 56.287 -0.072 0.000 0.933 357 K CB -0.504 31.970 32.500 -0.044 0.000 0.717 357 K HN 0.266 nan 8.250 nan 0.000 0.442 358 L N 0.383 121.582 121.223 -0.041 0.000 2.156 358 L HA 0.000 4.340 4.340 -0.001 0.000 0.208 358 L C 1.996 178.861 176.870 -0.008 0.000 1.095 358 L CA 1.524 56.357 54.840 -0.010 0.000 0.770 358 L CB -0.582 41.479 42.059 0.003 0.000 0.914 358 L HN 0.121 nan 8.230 nan 0.000 0.439 359 S N -1.716 113.962 115.700 -0.037 0.000 2.436 359 S HA 0.062 4.531 4.470 -0.001 0.000 0.228 359 S C 0.887 175.467 174.600 -0.034 0.000 1.014 359 S CA 0.393 58.576 58.200 -0.028 0.000 0.950 359 S CB 0.251 63.410 63.200 -0.069 0.000 0.784 359 S HN 0.134 nan 8.310 nan 0.000 0.504 360 V N 3.271 123.134 119.914 -0.085 0.000 2.405 360 V HA 0.206 4.326 4.120 -0.001 0.000 0.253 360 V C -1.746 174.229 176.094 -0.199 0.000 0.963 360 V CA -1.382 60.817 62.300 -0.169 0.000 1.003 360 V CB 0.933 32.610 31.823 -0.245 0.000 1.251 360 V HN 0.169 nan 8.190 nan 0.000 0.520 361 P HA -0.208 nan 4.420 nan 0.000 0.217 361 P C 1.175 178.104 177.300 -0.617 0.000 1.148 361 P CA 1.645 64.591 63.100 -0.257 0.000 0.828 361 P CB 0.022 31.684 31.700 -0.064 0.000 0.783 362 H N -0.715 118.051 119.070 -0.506 0.000 2.556 362 H HA 0.425 4.980 4.556 -0.001 0.000 0.268 362 H C 0.507 175.664 175.328 -0.287 0.000 0.996 362 H CA -0.124 55.645 56.048 -0.464 0.000 1.157 362 H CB -0.844 28.822 29.762 -0.160 0.000 1.355 362 H HN 0.007 nan 8.280 nan 0.000 0.597 363 A N 2.368 124.861 122.820 -0.545 0.000 2.331 363 A HA 0.279 4.599 4.320 -0.001 0.000 0.283 363 A C 0.393 177.836 177.584 -0.235 0.000 1.142 363 A CA -0.568 51.235 52.037 -0.389 0.000 0.812 363 A CB 0.517 19.288 19.000 -0.380 0.000 1.074 363 A HN 0.626 nan 8.150 nan 0.000 0.497 364 N N 1.531 120.131 118.700 -0.166 0.000 2.327 364 N HA 0.082 4.821 4.740 -0.001 0.000 0.257 364 N C -0.005 175.453 175.510 -0.087 0.000 1.281 364 N CA -0.246 52.739 53.050 -0.108 0.000 0.942 364 N CB 0.108 38.548 38.487 -0.080 0.000 1.199 364 N HN 0.474 nan 8.380 nan 0.000 0.532 365 D N -0.776 119.592 120.400 -0.054 0.000 2.123 365 D HA -0.136 4.504 4.640 -0.001 0.000 0.196 365 D C 1.693 177.982 176.300 -0.018 0.000 0.992 365 D CA 0.866 54.848 54.000 -0.031 0.000 0.833 365 D CB -0.273 40.517 40.800 -0.016 0.000 0.954 365 D HN 0.464 nan 8.370 nan 0.000 0.455 366 L N 0.497 121.706 121.223 -0.024 0.000 2.046 366 L HA -0.016 4.323 4.340 -0.001 0.000 0.208 366 L C 2.145 179.011 176.870 -0.007 0.000 1.077 366 L CA 2.067 56.902 54.840 -0.009 0.000 0.747 366 L CB -0.910 41.135 42.059 -0.024 0.000 0.896 366 L HN 0.081 nan 8.230 nan 0.000 0.432 367 G N -0.535 108.232 108.800 -0.055 0.000 2.421 367 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.216 367 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.216 367 G C 1.604 176.492 174.900 -0.019 0.000 1.171 367 G CA 1.028 46.082 45.100 -0.076 0.000 0.775 367 G HN 0.430 nan 8.290 nan 0.000 0.543 368 L N 0.516 121.720 121.223 -0.031 0.000 2.042 368 L HA -0.103 4.237 4.340 -0.001 0.000 0.210 368 L C 2.539 179.450 176.870 0.069 0.000 1.076 368 L CA 1.306 56.146 54.840 0.001 0.000 0.749 368 L CB -0.396 41.652 42.059 -0.018 0.000 0.893 368 L HN 0.113 nan 8.230 nan 0.000 0.432 369 D N 0.056 120.501 120.400 0.075 0.000 2.117 369 D HA -0.141 4.499 4.640 -0.001 0.000 0.197 369 D C 2.238 178.632 176.300 0.157 0.000 0.987 369 D CA 1.452 55.522 54.000 0.117 0.000 0.829 369 D CB -0.061 40.791 40.800 0.087 0.000 0.961 369 D HN 0.318 nan 8.370 nan 0.000 0.460 370 A N 0.694 123.617 122.820 0.172 0.000 1.877 370 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 370 A C 2.560 180.283 177.584 0.232 0.000 1.186 370 A CA 1.454 53.657 52.037 0.276 0.000 0.620 370 A CB -0.867 18.382 19.000 0.415 0.000 0.822 370 A HN 0.138 nan 8.150 nan 0.000 0.443 371 V N -0.299 119.765 119.914 0.249 0.000 2.255 371 V HA -0.264 3.855 4.120 -0.001 0.000 0.247 371 V C 2.761 178.967 176.094 0.186 0.000 1.051 371 V CA 2.585 64.976 62.300 0.151 0.000 1.018 371 V CB -1.389 30.537 31.823 0.171 0.000 0.641 371 V HN 0.614 nan 8.190 nan 0.000 0.445 372 T N 0.514 115.202 114.554 0.224 0.000 2.684 372 T HA -0.221 4.129 4.350 -0.001 0.000 0.267 372 T C 1.878 176.766 174.700 0.314 0.000 1.036 372 T CA 2.045 64.352 62.100 0.346 0.000 1.148 372 T CB -0.387 68.687 68.868 0.344 0.000 0.863 372 T HN 0.322 nan 8.240 nan 0.000 0.436 373 L N 1.195 122.583 121.223 0.275 0.000 2.093 373 L HA -0.003 4.336 4.340 -0.001 0.000 0.208 373 L C 2.411 179.338 176.870 0.095 0.000 1.085 373 L CA 1.791 56.819 54.840 0.313 0.000 0.755 373 L CB -0.871 41.329 42.059 0.234 0.000 0.904 373 L HN 0.107 nan 8.230 nan 0.000 0.435 374 Q N -1.167 118.571 119.800 -0.103 0.000 2.170 374 Q HA -0.184 4.155 4.340 -0.001 0.000 0.203 374 Q C 0.981 176.725 176.000 -0.427 0.000 0.976 374 Q CA 1.838 57.392 55.803 -0.417 0.000 0.858 374 Q CB -0.206 27.922 28.738 -1.016 0.000 0.907 374 Q HN 0.700 nan 8.270 nan 0.000 0.433 375 Y N -1.154 119.096 120.300 -0.084 0.000 2.584 375 Y HA 0.343 4.892 4.550 -0.001 0.000 0.254 375 Y C -0.278 175.551 175.900 -0.118 0.000 1.177 375 Y CA -0.262 57.837 58.100 -0.002 0.000 1.216 375 Y CB 0.988 39.560 38.460 0.188 0.000 1.172 375 Y HN -0.185 nan 8.280 nan 0.000 0.529 376 T N 0.443 114.884 114.554 -0.188 0.000 2.823 376 T HA 0.140 4.490 4.350 -0.001 0.000 0.279 376 T C -0.978 173.318 174.700 -0.673 0.000 0.998 376 T CA -0.661 61.064 62.100 -0.625 0.000 0.994 376 T CB 1.267 69.457 68.868 -1.130 0.000 0.960 376 T HN -0.013 nan 8.240 nan 0.000 0.448 377 D N 1.797 121.847 120.400 -0.583 0.000 2.456 377 D HA 0.165 4.804 4.640 -0.001 0.000 0.219 377 D C 0.033 176.085 176.300 -0.413 0.000 1.126 377 D CA -0.877 52.905 54.000 -0.364 0.000 0.890 377 D CB 0.326 40.997 40.800 -0.215 0.000 1.025 377 D HN 0.589 nan 8.370 nan 0.000 0.511 378 W N 3.040 124.301 121.300 -0.066 0.000 2.848 378 W HA 0.029 4.688 4.660 -0.001 0.000 0.241 378 W C 1.807 178.297 176.519 -0.048 0.000 1.289 378 W CA -0.011 57.300 57.345 -0.057 0.000 1.396 378 W CB -0.173 29.259 29.460 -0.047 0.000 1.138 378 W HN 0.392 nan 8.180 nan 0.000 0.677 379 M N -0.756 118.893 119.600 0.081 0.000 2.502 379 M HA 0.059 4.538 4.480 -0.001 0.000 0.243 379 M C 0.082 176.384 176.300 0.005 0.000 1.130 379 M CA 1.093 56.423 55.300 0.050 0.000 1.055 379 M CB 0.199 32.814 32.600 0.025 0.000 1.457 379 M HN -0.205 nan 8.290 nan 0.000 0.488 380 D N 0.228 120.601 120.400 -0.044 0.000 3.453 380 D HA -0.005 4.634 4.640 -0.001 0.000 0.312 380 D C 0.394 176.609 176.300 -0.142 0.000 1.349 380 D CA 0.049 54.006 54.000 -0.072 0.000 0.739 380 D CB 0.290 41.048 40.800 -0.069 0.000 1.312 380 D HN 0.187 nan 8.370 nan 0.000 0.628 381 D N -0.714 119.596 120.400 -0.150 0.000 2.264 381 D HA -0.134 4.506 4.640 -0.001 0.000 0.208 381 D C 0.571 176.745 176.300 -0.210 0.000 0.966 381 D CA 0.379 54.219 54.000 -0.266 0.000 0.864 381 D CB 0.133 40.797 40.800 -0.226 0.000 0.933 381 D HN 0.155 nan 8.370 nan 0.000 0.499 382 N N 0.539 119.168 118.700 -0.118 0.000 2.276 382 N HA -0.011 4.728 4.740 -0.001 0.000 0.212 382 N C -0.334 175.118 175.510 -0.098 0.000 1.127 382 N CA -0.144 52.849 53.050 -0.095 0.000 0.834 382 N CB -0.083 38.374 38.487 -0.050 0.000 1.014 382 N HN 0.398 nan 8.380 nan 0.000 0.491 383 N N 0.025 118.654 118.700 -0.119 0.000 2.405 383 N HA 0.085 4.824 4.740 -0.001 0.000 0.260 383 N C 1.471 176.915 175.510 -0.110 0.000 1.152 383 N CA -0.291 52.699 53.050 -0.099 0.000 0.948 383 N CB 0.740 39.170 38.487 -0.095 0.000 1.111 383 N HN 0.040 nan 8.380 nan 0.000 0.485 384 G N 3.708 112.451 108.800 -0.095 0.000 2.442 384 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.219 384 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.219 384 G C 1.279 176.119 174.900 -0.101 0.000 1.141 384 G CA 0.614 45.649 45.100 -0.108 0.000 0.763 384 G HN 0.679 nan 8.290 nan 0.000 0.554 385 I N -0.024 120.504 120.570 -0.070 0.000 2.353 385 I HA -0.083 4.087 4.170 -0.001 0.000 0.248 385 I C 2.760 178.870 176.117 -0.012 0.000 1.119 385 I CA 0.933 62.213 61.300 -0.034 0.000 1.417 385 I CB -0.092 37.903 38.000 -0.009 0.000 1.078 385 I HN 0.115 nan 8.210 nan 0.000 0.421 386 K N 0.564 120.937 120.400 -0.044 0.000 2.103 386 K HA -0.100 4.219 4.320 -0.001 0.000 0.204 386 K C 1.851 178.416 176.600 -0.058 0.000 1.052 386 K CA 1.104 57.361 56.287 -0.050 0.000 0.945 386 K CB -0.135 32.301 32.500 -0.106 0.000 0.722 386 K HN 0.277 nan 8.250 nan 0.000 0.443 387 N N 0.953 119.584 118.700 -0.115 0.000 2.142 387 N HA -0.165 4.575 4.740 -0.001 0.000 0.186 387 N C 1.725 177.350 175.510 0.192 0.000 1.023 387 N CA 0.859 53.856 53.050 -0.088 0.000 0.852 387 N CB -0.231 38.175 38.487 -0.133 0.000 0.998 387 N HN 0.174 nan 8.380 nan 0.000 0.424 388 R N 1.362 121.905 120.500 0.072 0.000 2.073 388 R HA -0.116 4.224 4.340 -0.001 0.000 0.234 388 R C 0.629 177.091 176.300 0.270 0.000 1.134 388 R CA 1.542 57.708 56.100 0.110 0.000 0.952 388 R CB -0.223 30.029 30.300 -0.080 0.000 0.850 388 R HN 0.133 nan 8.270 nan 0.000 0.433 389 D N -0.556 119.968 120.400 0.208 0.000 2.178 389 D HA -0.070 4.570 4.640 -0.001 0.000 0.202 389 D C 1.762 178.216 176.300 0.257 0.000 0.974 389 D CA 1.389 55.530 54.000 0.235 0.000 0.841 389 D CB -0.531 40.377 40.800 0.179 0.000 0.953 389 D HN 0.506 nan 8.370 nan 0.000 0.478 390 G N 0.925 109.888 108.800 0.271 0.000 2.418 390 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.217 390 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.217 390 G C 1.569 176.655 174.900 0.310 0.000 1.158 390 G CA 0.297 45.613 45.100 0.359 0.000 0.771 390 G HN 0.189 nan 8.290 nan 0.000 0.545 391 L N 0.893 122.334 121.223 0.363 0.000 2.093 391 L HA 0.013 4.353 4.340 -0.001 0.000 0.208 391 L C 2.266 179.198 176.870 0.105 0.000 1.085 391 L CA 1.830 56.760 54.840 0.151 0.000 0.755 391 L CB -0.531 41.685 42.059 0.262 0.000 0.904 391 L HN 0.172 nan 8.230 nan 0.000 0.435 392 D N -0.596 119.931 120.400 0.212 0.000 2.097 392 D HA -0.212 4.428 4.640 -0.001 0.000 0.195 392 D C 1.603 177.985 176.300 0.138 0.000 0.989 392 D CA 1.303 55.422 54.000 0.199 0.000 0.827 392 D CB 0.128 41.100 40.800 0.288 0.000 0.966 392 D HN 0.330 nan 8.370 nan 0.000 0.456 393 D N 0.139 120.631 120.400 0.153 0.000 2.117 393 D HA -0.109 4.530 4.640 -0.001 0.000 0.197 393 D C 2.347 178.645 176.300 -0.003 0.000 0.987 393 D CA 0.396 54.493 54.000 0.162 0.000 0.829 393 D CB -0.267 40.731 40.800 0.331 0.000 0.961 393 D HN 0.358 nan 8.370 nan 0.000 0.460 394 I N 0.502 120.916 120.570 -0.261 0.000 2.127 394 I HA -0.275 3.895 4.170 -0.001 0.000 0.241 394 I C 2.461 178.434 176.117 -0.240 0.000 1.075 394 I CA 0.799 61.866 61.300 -0.389 0.000 1.334 394 I CB -0.263 37.496 38.000 -0.403 0.000 1.040 394 I HN -0.099 nan 8.210 nan 0.000 0.405 395 V N 0.984 120.814 119.914 -0.140 0.000 2.287 395 V HA -0.265 3.855 4.120 -0.001 0.000 0.248 395 V C 2.535 178.525 176.094 -0.173 0.000 1.053 395 V CA 2.310 64.540 62.300 -0.116 0.000 1.027 395 V CB -1.552 30.275 31.823 0.006 0.000 0.646 395 V HN 0.614 nan 8.190 nan 0.000 0.447 396 G N -0.524 108.237 108.800 -0.066 0.000 2.402 396 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.216 396 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.216 396 G C 1.238 176.066 174.900 -0.121 0.000 1.162 396 G CA 0.943 46.018 45.100 -0.043 0.000 0.777 396 G HN 0.504 nan 8.290 nan 0.000 0.539 397 D N -0.137 120.192 120.400 -0.119 0.000 2.097 397 D HA -0.094 4.546 4.640 -0.001 0.000 0.195 397 D C 2.092 178.078 176.300 -0.524 0.000 0.989 397 D CA 1.345 55.246 54.000 -0.165 0.000 0.827 397 D CB -0.481 40.360 40.800 0.069 0.000 0.966 397 D HN 0.417 nan 8.370 nan 0.000 0.456 398 H N 0.928 119.375 119.070 -1.039 0.000 2.326 398 H HA 0.027 4.582 4.556 -0.001 0.000 0.301 398 H C 1.520 176.461 175.328 -0.645 0.000 1.081 398 H CA 1.717 57.027 56.048 -1.230 0.000 1.334 398 H CB 0.022 28.889 29.762 -1.491 0.000 1.385 398 H HN -0.005 nan 8.280 nan 0.000 0.504 399 N N -0.690 117.536 118.700 -0.789 0.000 2.395 399 N HA -0.015 4.725 4.740 -0.001 0.000 0.175 399 N C 1.208 176.425 175.510 -0.490 0.000 1.029 399 N CA 1.080 53.606 53.050 -0.873 0.000 0.897 399 N CB 0.974 38.508 38.487 -1.588 0.000 0.991 399 N HN 0.274 nan 8.380 nan 0.000 0.441 400 V N 0.415 120.136 119.914 -0.322 0.000 3.278 400 V HA 0.151 4.271 4.120 -0.001 0.000 0.215 400 V C 2.064 178.128 176.094 -0.051 0.000 1.287 400 V CA -0.052 62.195 62.300 -0.089 0.000 1.302 400 V CB 0.093 31.935 31.823 0.032 0.000 1.228 400 V HN -0.065 nan 8.190 nan 0.000 0.523 401 I N 1.140 121.695 120.570 -0.026 0.000 2.099 401 I HA -0.300 3.870 4.170 -0.001 0.000 0.239 401 I C 2.926 179.051 176.117 0.013 0.000 1.066 401 I CA 2.188 63.502 61.300 0.023 0.000 1.324 401 I CB -0.624 37.427 38.000 0.086 0.000 1.037 401 I HN 0.634 nan 8.210 nan 0.000 0.401 402 C N 1.791 121.090 119.300 -0.001 0.000 2.425 402 C HA -0.061 4.398 4.460 -0.001 0.000 0.277 402 C C 0.658 175.678 174.990 0.051 0.000 1.280 402 C CA 1.434 60.493 59.018 0.068 0.000 1.744 402 C CB -2.064 25.756 27.740 0.133 0.000 1.989 402 C HN 0.291 nan 8.230 nan 0.000 0.491 403 P HA -0.055 nan 4.420 nan 0.000 0.217 403 P C 1.824 179.148 177.300 0.041 0.000 1.151 403 P CA 0.771 63.847 63.100 -0.040 0.000 0.828 403 P CB -0.175 31.412 31.700 -0.190 0.000 0.788 404 L N -1.760 119.467 121.223 0.007 0.000 2.093 404 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 404 L C 2.055 178.971 176.870 0.077 0.000 1.085 404 L CA 1.544 56.403 54.840 0.032 0.000 0.755 404 L CB -0.483 41.568 42.059 -0.014 0.000 0.904 404 L HN -0.096 nan 8.230 nan 0.000 0.435 405 M N -1.197 118.440 119.600 0.063 0.000 2.229 405 M HA -0.204 4.276 4.480 -0.001 0.000 0.264 405 M C 2.217 178.589 176.300 0.121 0.000 1.063 405 M CA 1.533 56.869 55.300 0.060 0.000 1.114 405 M CB -1.473 31.175 32.600 0.081 0.000 1.387 405 M HN 0.400 nan 8.290 nan 0.000 0.420 406 H N -0.145 118.969 119.070 0.073 0.000 2.321 406 H HA -0.169 4.386 4.556 -0.001 0.000 0.300 406 H C 1.820 177.204 175.328 0.094 0.000 1.087 406 H CA 2.005 58.104 56.048 0.085 0.000 1.319 406 H CB -0.335 29.473 29.762 0.076 0.000 1.379 406 H HN 0.224 nan 8.280 nan 0.000 0.501 407 F N 0.155 120.082 119.950 -0.037 0.000 2.069 407 F HA -0.207 4.319 4.527 -0.001 0.000 0.298 407 F C 2.592 178.324 175.800 -0.113 0.000 1.113 407 F CA 1.650 59.582 58.000 -0.113 0.000 1.214 407 F CB -1.049 37.884 39.000 -0.112 0.000 0.978 407 F HN 0.139 nan 8.300 nan 0.000 0.474 408 V N 1.148 120.986 119.914 -0.126 0.000 2.332 408 V HA -0.312 3.807 4.120 -0.001 0.000 0.248 408 V C 2.227 178.201 176.094 -0.200 0.000 1.055 408 V CA 2.653 64.776 62.300 -0.295 0.000 1.038 408 V CB -0.660 30.905 31.823 -0.430 0.000 0.651 408 V HN 0.466 nan 8.190 nan 0.000 0.450 409 N N -0.170 118.485 118.700 -0.076 0.000 2.188 409 N HA -0.106 4.633 4.740 -0.001 0.000 0.184 409 N C 1.815 177.317 175.510 -0.013 0.000 1.018 409 N CA 1.195 54.286 53.050 0.069 0.000 0.858 409 N CB -0.221 38.328 38.487 0.104 0.000 0.989 409 N HN 0.445 nan 8.380 nan 0.000 0.426 410 K N 0.385 120.697 120.400 -0.147 0.000 2.062 410 K HA -0.085 4.234 4.320 -0.001 0.000 0.205 410 K C 1.928 178.515 176.600 -0.022 0.000 1.051 410 K CA 0.579 56.804 56.287 -0.103 0.000 0.941 410 K CB -0.698 31.668 32.500 -0.223 0.000 0.719 410 K HN 0.285 nan 8.250 nan 0.000 0.440 411 Y N 2.256 122.315 120.300 -0.401 0.000 2.163 411 Y HA -0.199 4.351 4.550 -0.001 0.000 0.288 411 Y C 2.166 178.054 175.900 -0.019 0.000 1.136 411 Y CA 1.862 59.706 58.100 -0.426 0.000 1.147 411 Y CB -0.355 37.533 38.460 -0.953 0.000 0.987 411 Y HN 0.007 nan 8.280 nan 0.000 0.509 412 T N 0.643 115.254 114.554 0.095 0.000 2.897 412 T HA -0.233 4.117 4.350 -0.001 0.000 0.271 412 T C 1.808 176.527 174.700 0.032 0.000 1.084 412 T CA 1.664 63.844 62.100 0.134 0.000 1.123 412 T CB -0.267 68.767 68.868 0.276 0.000 0.865 412 T HN 0.330 nan 8.240 nan 0.000 0.496 413 K N -0.018 120.379 120.400 -0.005 0.000 2.148 413 K HA -0.025 4.294 4.320 -0.001 0.000 0.204 413 K C 1.026 177.400 176.600 -0.376 0.000 1.050 413 K CA 1.216 57.382 56.287 -0.203 0.000 0.942 413 K CB -0.054 32.267 32.500 -0.298 0.000 0.724 413 K HN 0.370 nan 8.250 nan 0.000 0.446 414 F N -0.165 119.725 119.950 -0.099 0.000 2.724 414 F HA 0.298 4.825 4.527 -0.001 0.000 0.306 414 F C 1.304 176.984 175.800 -0.201 0.000 1.100 414 F CA -0.323 57.581 58.000 -0.159 0.000 1.255 414 F CB 0.272 39.121 39.000 -0.252 0.000 1.072 414 F HN -0.041 nan 8.300 nan 0.000 0.589 415 G N -0.022 108.711 108.800 -0.112 0.000 2.653 415 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.265 415 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.265 415 G C 0.368 175.304 174.900 0.061 0.000 1.237 415 G CA -0.375 44.673 45.100 -0.085 0.000 0.946 415 G HN 0.278 nan 8.290 nan 0.000 0.522 416 N N -0.490 118.293 118.700 0.138 0.000 2.234 416 N HA 0.272 5.011 4.740 -0.001 0.000 0.227 416 N C 0.280 175.856 175.510 0.109 0.000 1.151 416 N CA 0.437 53.547 53.050 0.100 0.000 0.865 416 N CB 0.354 38.895 38.487 0.090 0.000 1.066 416 N HN 0.857 nan 8.380 nan 0.000 0.515 417 G N 0.585 109.460 108.800 0.125 0.000 2.196 417 G HA2 0.008 3.967 3.960 -0.001 0.000 0.215 417 G HA3 0.008 3.967 3.960 -0.001 0.000 0.215 417 G C -1.271 173.636 174.900 0.011 0.000 1.640 417 G CA -0.737 44.388 45.100 0.042 0.000 0.946 417 G HN 0.021 nan 8.290 nan 0.000 0.710 418 T N 1.720 116.163 114.554 -0.185 0.000 2.841 418 T HA 0.678 5.028 4.350 -0.001 0.000 0.283 418 T C -1.225 173.170 174.700 -0.509 0.000 1.000 418 T CA -0.332 61.656 62.100 -0.187 0.000 0.977 418 T CB 1.324 70.190 68.868 -0.003 0.000 0.979 418 T HN 0.409 nan 8.240 nan 0.000 0.446 419 Y N 2.125 122.315 120.300 -0.184 0.000 2.326 419 Y HA 0.637 5.187 4.550 -0.001 0.000 0.329 419 Y C -0.490 175.421 175.900 0.017 0.000 0.973 419 Y CA -1.130 56.792 58.100 -0.297 0.000 1.162 419 Y CB 1.429 39.265 38.460 -1.039 0.000 1.147 419 Y HN 0.428 nan 8.280 nan 0.000 0.456 420 L N 5.894 127.448 121.223 0.553 0.000 2.334 420 L HA 0.654 4.994 4.340 -0.001 0.000 0.276 420 L C -1.211 176.132 176.870 0.788 0.000 1.014 420 L CA -1.062 54.071 54.840 0.488 0.000 0.815 420 L CB 0.849 43.040 42.059 0.219 0.000 1.268 420 L HN 0.530 nan 8.230 nan 0.000 0.428 421 Y N 2.939 123.560 120.300 0.535 0.000 2.605 421 Y HA 0.735 5.285 4.550 -0.001 0.000 0.343 421 Y C -1.801 174.384 175.900 0.474 0.000 1.036 421 Y CA -2.024 56.335 58.100 0.432 0.000 1.065 421 Y CB 1.343 39.994 38.460 0.319 0.000 1.288 421 Y HN 0.518 nan 8.280 nan 0.000 0.481 422 F N 3.920 124.220 119.950 0.584 0.000 2.610 422 F HA 0.442 4.969 4.527 -0.001 0.000 0.355 422 F C -1.878 174.242 175.800 0.533 0.000 1.140 422 F CA -1.748 56.517 58.000 0.443 0.000 1.037 422 F CB 0.660 39.913 39.000 0.422 0.000 1.287 422 F HN 0.562 nan 8.300 nan 0.000 0.457 423 F N 7.807 127.843 119.950 0.143 0.000 2.438 423 F HA 0.267 4.794 4.527 -0.001 0.000 0.360 423 F C 0.403 176.072 175.800 -0.218 0.000 1.118 423 F CA -0.194 57.828 58.000 0.037 0.000 1.164 423 F CB 0.445 39.532 39.000 0.145 0.000 1.131 423 F HN 0.532 nan 8.300 nan 0.000 0.527 424 N N 3.408 121.776 118.700 -0.553 0.000 2.433 424 N HA 0.070 4.810 4.740 -0.001 0.000 0.270 424 N C -1.102 174.170 175.510 -0.396 0.000 1.354 424 N CA -0.467 52.340 53.050 -0.406 0.000 0.889 424 N CB -0.617 37.825 38.487 -0.075 0.000 1.285 424 N HN 0.616 nan 8.380 nan 0.000 0.503 425 H N 0.543 119.074 119.070 -0.898 0.000 2.476 425 H HA 0.431 4.986 4.556 -0.001 0.000 0.328 425 H C -0.520 174.607 175.328 -0.334 0.000 1.073 425 H CA -0.645 55.059 56.048 -0.574 0.000 1.229 425 H CB 1.037 30.406 29.762 -0.656 0.000 1.432 425 H HN 0.087 nan 8.280 nan 0.000 0.477 426 R N 4.183 124.251 120.500 -0.720 0.000 2.202 426 R HA 0.503 4.842 4.340 -0.001 0.000 0.334 426 R C -0.561 175.461 176.300 -0.463 0.000 1.036 426 R CA -0.626 55.245 56.100 -0.381 0.000 0.878 426 R CB 0.352 30.530 30.300 -0.204 0.000 1.067 426 R HN 0.818 nan 8.270 nan 0.000 0.457 427 A N 3.079 125.924 122.820 0.041 0.000 2.565 427 A HA -0.013 4.306 4.320 -0.001 0.000 0.237 427 A C 1.335 179.002 177.584 0.139 0.000 1.053 427 A CA 0.554 52.800 52.037 0.348 0.000 0.755 427 A CB 0.285 19.634 19.000 0.582 0.000 0.980 427 A HN 1.017 nan 8.150 nan 0.000 0.506 428 S N 1.658 117.470 115.700 0.187 0.000 2.442 428 S HA -0.176 4.293 4.470 -0.001 0.000 0.236 428 S C 0.901 175.486 174.600 -0.025 0.000 1.007 428 S CA 1.200 59.442 58.200 0.070 0.000 0.965 428 S CB -0.450 62.814 63.200 0.106 0.000 0.773 428 S HN 0.937 nan 8.310 nan 0.000 0.504 429 N N 0.725 119.366 118.700 -0.098 0.000 2.251 429 N HA 0.237 4.977 4.740 -0.001 0.000 0.217 429 N C -0.171 175.257 175.510 -0.137 0.000 1.124 429 N CA -0.347 52.595 53.050 -0.180 0.000 0.843 429 N CB -0.568 37.693 38.487 -0.376 0.000 1.024 429 N HN 0.390 nan 8.380 nan 0.000 0.501 430 L N 1.307 122.490 121.223 -0.065 0.000 2.455 430 L HA 0.020 4.359 4.340 -0.001 0.000 0.272 430 L C 1.487 178.297 176.870 -0.100 0.000 1.174 430 L CA -0.360 54.443 54.840 -0.062 0.000 0.869 430 L CB 1.081 43.114 42.059 -0.043 0.000 1.130 430 L HN 0.129 nan 8.230 nan 0.000 0.474 431 V N -0.177 119.627 119.914 -0.183 0.000 3.235 431 V HA 0.023 4.142 4.120 -0.001 0.000 0.259 431 V C 0.620 176.644 176.094 -0.117 0.000 1.133 431 V CA -0.396 61.778 62.300 -0.209 0.000 1.128 431 V CB -0.832 30.745 31.823 -0.410 0.000 0.757 431 V HN 0.597 nan 8.190 nan 0.000 0.469 432 W N 2.071 123.340 121.300 -0.051 0.000 2.126 432 W HA 0.456 5.116 4.660 -0.001 0.000 0.346 432 W C -1.601 174.797 176.519 -0.202 0.000 1.279 432 W CA -1.897 55.384 57.345 -0.106 0.000 1.259 432 W CB -0.201 29.099 29.460 -0.266 0.000 1.133 432 W HN 0.031 nan 8.180 nan 0.000 0.592 433 P HA -0.073 nan 4.420 nan 0.000 0.271 433 P C 0.343 177.533 177.300 -0.183 0.000 1.233 433 P CA 0.320 63.354 63.100 -0.109 0.000 0.789 433 P CB 0.915 32.550 31.700 -0.107 0.000 0.951 434 E N 1.053 121.222 120.200 -0.051 0.000 2.110 434 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 434 E C 1.917 178.526 176.600 0.015 0.000 0.988 434 E CA 1.390 57.785 56.400 -0.009 0.000 0.804 434 E CB -0.633 29.101 29.700 0.057 0.000 0.745 434 E HN 0.717 nan 8.360 nan 0.000 0.458 435 W N 0.383 121.718 121.300 0.058 0.000 2.387 435 W HA -0.083 4.577 4.660 -0.001 0.000 0.272 435 W C 1.434 178.007 176.519 0.090 0.000 1.224 435 W CA 0.486 57.876 57.345 0.074 0.000 1.210 435 W CB -0.834 28.675 29.460 0.081 0.000 1.125 435 W HN -0.010 nan 8.180 nan 0.000 0.572 436 M N 1.257 120.502 119.600 -0.592 0.000 2.562 436 M HA 0.136 4.616 4.480 -0.001 0.000 0.257 436 M C 1.789 177.990 176.300 -0.164 0.000 1.099 436 M CA 1.458 56.419 55.300 -0.565 0.000 1.099 436 M CB -0.645 31.425 32.600 -0.883 0.000 1.427 436 M HN 0.154 nan 8.290 nan 0.000 0.489 437 G N 0.602 109.352 108.800 -0.083 0.000 2.574 437 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.286 437 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.286 437 G C -0.143 174.748 174.900 -0.014 0.000 1.212 437 G CA -0.196 44.898 45.100 -0.011 0.000 0.979 437 G HN 0.203 nan 8.290 nan 0.000 0.557 438 V N 2.111 122.046 119.914 0.035 0.000 2.276 438 V HA 0.348 4.468 4.120 -0.001 0.000 0.249 438 V C 1.136 177.335 176.094 0.175 0.000 1.160 438 V CA -0.003 62.353 62.300 0.094 0.000 1.042 438 V CB -0.200 31.653 31.823 0.050 0.000 1.224 438 V HN 0.510 nan 8.190 nan 0.000 0.496 439 I N 2.997 123.667 120.570 0.166 0.000 2.754 439 I HA 0.063 4.233 4.170 -0.001 0.000 0.285 439 I C 0.998 177.375 176.117 0.433 0.000 1.166 439 I CA -0.336 61.104 61.300 0.234 0.000 1.417 439 I CB 0.120 38.151 38.000 0.052 0.000 1.382 439 I HN 0.566 nan 8.210 nan 0.000 0.588 440 H N 4.747 123.972 119.070 0.258 0.000 3.192 440 H HA 0.111 4.667 4.556 -0.001 0.000 0.295 440 H C 1.037 176.426 175.328 0.102 0.000 0.943 440 H CA 1.028 57.177 56.048 0.168 0.000 1.416 440 H CB 0.097 29.917 29.762 0.098 0.000 1.434 440 H HN 0.766 nan 8.280 nan 0.000 0.565 441 G N 3.717 112.378 108.800 -0.232 0.000 2.199 441 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.254 441 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.254 441 G C 0.568 175.441 174.900 -0.044 0.000 0.982 441 G CA 0.423 45.357 45.100 -0.276 0.000 0.632 441 G HN 0.643 nan 8.290 nan 0.000 0.529 442 Y N 1.439 121.878 120.300 0.232 0.000 2.470 442 Y HA 0.260 4.809 4.550 -0.001 0.000 0.302 442 Y C 2.221 178.283 175.900 0.271 0.000 1.194 442 Y CA 0.909 59.214 58.100 0.341 0.000 1.271 442 Y CB 0.414 39.116 38.460 0.403 0.000 1.092 442 Y HN 0.518 nan 8.280 nan 0.000 0.513 443 E N -0.365 119.841 120.200 0.010 0.000 2.431 443 E HA -0.017 4.333 4.350 -0.001 0.000 0.200 443 E C 1.591 178.119 176.600 -0.119 0.000 0.995 443 E CA 0.473 56.549 56.400 -0.540 0.000 0.915 443 E CB -0.388 28.664 29.700 -1.080 0.000 0.930 443 E HN 0.513 nan 8.360 nan 0.000 0.496 444 I N 2.727 123.329 120.570 0.054 0.000 2.163 444 I HA -0.308 3.861 4.170 -0.001 0.000 0.243 444 I C 2.634 178.810 176.117 0.099 0.000 1.085 444 I CA 2.157 63.539 61.300 0.136 0.000 1.347 444 I CB -0.431 37.695 38.000 0.210 0.000 1.044 444 I HN 0.220 nan 8.210 nan 0.000 0.408 445 E N 0.903 121.123 120.200 0.034 0.000 2.160 445 E HA -0.237 4.112 4.350 -0.001 0.000 0.195 445 E C 2.029 178.495 176.600 -0.222 0.000 0.991 445 E CA 1.491 57.830 56.400 -0.102 0.000 0.810 445 E CB -0.525 29.109 29.700 -0.111 0.000 0.742 445 E HN 0.430 nan 8.360 nan 0.000 0.466 446 F N 1.109 120.971 119.950 -0.147 0.000 2.293 446 F HA -0.025 4.502 4.527 -0.001 0.000 0.297 446 F C 2.329 177.961 175.800 -0.280 0.000 1.089 446 F CA 0.514 58.385 58.000 -0.216 0.000 1.377 446 F CB -0.113 38.797 39.000 -0.150 0.000 1.051 446 F HN -0.129 nan 8.300 nan 0.000 0.511 447 V N -1.116 118.723 119.914 -0.125 0.000 2.427 447 V HA -0.252 3.868 4.120 -0.001 0.000 0.248 447 V C 1.602 177.532 176.094 -0.272 0.000 1.051 447 V CA 1.530 63.629 62.300 -0.335 0.000 1.048 447 V CB -0.621 31.027 31.823 -0.292 0.000 0.666 447 V HN 0.189 nan 8.190 nan 0.000 0.456 448 F N 0.635 120.460 119.950 -0.208 0.000 2.773 448 F HA 0.410 4.937 4.527 -0.001 0.000 0.304 448 F C 1.784 177.494 175.800 -0.149 0.000 1.129 448 F CA 0.503 58.407 58.000 -0.161 0.000 1.378 448 F CB -0.429 38.460 39.000 -0.186 0.000 1.095 448 F HN 0.257 nan 8.300 nan 0.000 0.565 449 G N 0.476 109.201 108.800 -0.125 0.000 2.249 449 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.273 449 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.273 449 G C 1.087 175.689 174.900 -0.496 0.000 1.036 449 G CA 0.329 45.274 45.100 -0.259 0.000 0.824 449 G HN 0.270 nan 8.290 nan 0.000 0.504 450 L N -0.532 120.376 121.223 -0.525 0.000 2.191 450 L HA -0.026 4.314 4.340 -0.001 0.000 0.212 450 L C 0.173 176.629 176.870 -0.690 0.000 1.103 450 L CA 2.200 56.674 54.840 -0.611 0.000 0.769 450 L CB -1.829 40.006 42.059 -0.374 0.000 0.908 450 L HN 0.192 nan 8.230 nan 0.000 0.438 451 P HA -0.085 nan 4.420 nan 0.000 0.230 451 P C 1.849 178.899 177.300 -0.417 0.000 1.158 451 P CA 0.795 63.307 63.100 -0.981 0.000 0.769 451 P CB 0.085 31.106 31.700 -1.130 0.000 0.807 452 L N -1.718 119.269 121.223 -0.393 0.000 2.552 452 L HA 0.038 4.378 4.340 -0.001 0.000 0.227 452 L C 1.021 177.771 176.870 -0.201 0.000 1.146 452 L CA 0.301 54.995 54.840 -0.243 0.000 0.858 452 L CB -0.231 41.707 42.059 -0.202 0.000 0.969 452 L HN -0.115 nan 8.230 nan 0.000 0.451 453 V N 1.512 121.272 119.914 -0.256 0.000 2.304 453 V HA 0.130 4.250 4.120 -0.001 0.000 0.269 453 V C 1.272 177.329 176.094 -0.062 0.000 1.036 453 V CA -0.637 61.570 62.300 -0.156 0.000 0.840 453 V CB 0.819 32.518 31.823 -0.206 0.000 1.036 453 V HN 0.185 nan 8.190 nan 0.000 0.466 454 K N 4.652 125.029 120.400 -0.038 0.000 2.052 454 K HA -0.217 4.102 4.320 -0.001 0.000 0.215 454 K C 1.686 178.277 176.600 -0.015 0.000 1.053 454 K CA 2.191 58.469 56.287 -0.015 0.000 0.934 454 K CB -0.468 32.022 32.500 -0.016 0.000 0.717 454 K HN 0.915 nan 8.250 nan 0.000 0.450 455 E N 1.293 121.478 120.200 -0.025 0.000 2.393 455 E HA -0.169 4.181 4.350 -0.001 0.000 0.201 455 E C 1.944 178.518 176.600 -0.045 0.000 1.025 455 E CA 0.805 57.185 56.400 -0.033 0.000 0.856 455 E CB -0.605 29.076 29.700 -0.031 0.000 0.771 455 E HN 0.410 nan 8.360 nan 0.000 0.526 456 L N 0.276 121.482 121.223 -0.029 0.000 2.558 456 L HA 0.046 4.386 4.340 -0.001 0.000 0.225 456 L C -0.161 176.616 176.870 -0.155 0.000 1.128 456 L CA 0.024 54.831 54.840 -0.055 0.000 0.868 456 L CB -0.439 41.654 42.059 0.056 0.000 1.006 456 L HN -0.010 nan 8.230 nan 0.000 0.454 457 N N -1.175 117.471 118.700 -0.090 0.000 2.816 457 N HA -0.202 4.537 4.740 -0.001 0.000 0.247 457 N C -0.739 174.666 175.510 -0.177 0.000 1.100 457 N CA 0.755 53.729 53.050 -0.126 0.000 0.687 457 N CB -1.839 36.552 38.487 -0.160 0.000 1.003 457 N HN 0.274 nan 8.380 nan 0.000 0.554 458 Y N 0.200 120.464 120.300 -0.060 0.000 2.458 458 Y HA 0.454 5.004 4.550 -0.001 0.000 0.322 458 Y C 1.843 177.738 175.900 -0.008 0.000 1.259 458 Y CA -0.121 57.960 58.100 -0.032 0.000 1.302 458 Y CB 0.642 39.052 38.460 -0.083 0.000 1.314 458 Y HN 0.111 nan 8.280 nan 0.000 0.509 459 T N -2.095 112.584 114.554 0.209 0.000 2.824 459 T HA 0.467 4.816 4.350 -0.001 0.000 0.277 459 T C 1.139 175.897 174.700 0.097 0.000 0.975 459 T CA -0.240 61.934 62.100 0.124 0.000 0.966 459 T CB 1.157 70.100 68.868 0.124 0.000 1.054 459 T HN 0.740 nan 8.240 nan 0.000 0.533 460 A N 0.792 123.646 122.820 0.056 0.000 1.930 460 A HA -0.069 4.251 4.320 -0.001 0.000 0.217 460 A C 2.303 179.901 177.584 0.024 0.000 1.175 460 A CA 1.283 53.338 52.037 0.030 0.000 0.627 460 A CB -0.784 18.226 19.000 0.018 0.000 0.815 460 A HN 0.934 nan 8.150 nan 0.000 0.443 461 E N 0.693 120.912 120.200 0.031 0.000 2.204 461 E HA -0.204 4.146 4.350 -0.001 0.000 0.194 461 E C 1.412 178.017 176.600 0.008 0.000 0.989 461 E CA 1.298 57.702 56.400 0.005 0.000 0.824 461 E CB -0.569 29.128 29.700 -0.005 0.000 0.756 461 E HN 0.800 nan 8.360 nan 0.000 0.477 462 E N 0.951 121.201 120.200 0.083 0.000 2.216 462 E HA -0.118 4.232 4.350 -0.001 0.000 0.192 462 E C 2.055 178.706 176.600 0.085 0.000 0.988 462 E CA 0.630 57.152 56.400 0.204 0.000 0.834 462 E CB 0.028 29.966 29.700 0.396 0.000 0.772 462 E HN 0.385 nan 8.360 nan 0.000 0.479 463 E N 0.930 121.126 120.200 -0.006 0.000 2.072 463 E HA -0.142 4.208 4.350 -0.001 0.000 0.190 463 E C 2.041 178.608 176.600 -0.055 0.000 0.982 463 E CA 0.836 57.186 56.400 -0.083 0.000 0.803 463 E CB 0.003 29.663 29.700 -0.067 0.000 0.755 463 E HN 0.187 nan 8.360 nan 0.000 0.453 464 A N 1.197 123.998 122.820 -0.030 0.000 1.933 464 A HA -0.148 4.171 4.320 -0.001 0.000 0.218 464 A C 2.118 179.676 177.584 -0.042 0.000 1.175 464 A CA 1.150 53.162 52.037 -0.042 0.000 0.628 464 A CB -0.570 18.408 19.000 -0.036 0.000 0.814 464 A HN 0.383 nan 8.150 nan 0.000 0.444 465 L N -0.317 120.900 121.223 -0.010 0.000 2.093 465 L HA -0.068 4.271 4.340 -0.001 0.000 0.208 465 L C 2.532 179.430 176.870 0.047 0.000 1.085 465 L CA 2.511 57.350 54.840 -0.003 0.000 0.755 465 L CB -0.797 41.241 42.059 -0.035 0.000 0.904 465 L HN 0.327 nan 8.230 nan 0.000 0.435 466 S N -0.684 115.081 115.700 0.108 0.000 2.368 466 S HA -0.189 4.281 4.470 -0.001 0.000 0.225 466 S C 2.188 176.741 174.600 -0.078 0.000 1.030 466 S CA 1.293 59.512 58.200 0.032 0.000 0.999 466 S CB -0.197 62.922 63.200 -0.135 0.000 0.844 466 S HN 0.538 nan 8.310 nan 0.000 0.459 467 R N 0.345 120.793 120.500 -0.087 0.000 2.081 467 R HA 0.024 4.364 4.340 -0.001 0.000 0.235 467 R C 2.731 178.963 176.300 -0.114 0.000 1.131 467 R CA 1.487 57.530 56.100 -0.096 0.000 0.960 467 R CB -0.257 29.984 30.300 -0.097 0.000 0.856 467 R HN 0.397 nan 8.270 nan 0.000 0.436 468 R N 0.433 120.836 120.500 -0.162 0.000 2.080 468 R HA -0.109 4.231 4.340 -0.001 0.000 0.236 468 R C 2.338 178.397 176.300 -0.402 0.000 1.137 468 R CA 1.547 57.450 56.100 -0.329 0.000 0.943 468 R CB -0.457 29.644 30.300 -0.332 0.000 0.846 468 R HN 0.207 nan 8.270 nan 0.000 0.431 469 I N 0.627 121.075 120.570 -0.202 0.000 2.179 469 I HA -0.320 3.850 4.170 -0.001 0.000 0.242 469 I C 2.529 178.560 176.117 -0.143 0.000 1.088 469 I CA 1.468 62.680 61.300 -0.146 0.000 1.357 469 I CB -0.198 37.601 38.000 -0.335 0.000 1.051 469 I HN 0.218 nan 8.210 nan 0.000 0.409 470 M N -0.669 118.838 119.600 -0.156 0.000 2.149 470 M HA -0.266 4.213 4.480 -0.001 0.000 0.261 470 M C 2.406 178.753 176.300 0.078 0.000 1.064 470 M CA 1.769 57.016 55.300 -0.088 0.000 1.102 470 M CB -0.687 31.860 32.600 -0.087 0.000 1.369 470 M HN 0.278 nan 8.290 nan 0.000 0.408 471 H N -0.525 118.526 119.070 -0.032 0.000 2.428 471 H HA -0.123 4.433 4.556 -0.001 0.000 0.296 471 H C 1.504 176.941 175.328 0.180 0.000 1.062 471 H CA 1.734 57.791 56.048 0.015 0.000 1.350 471 H CB 0.081 29.797 29.762 -0.075 0.000 1.403 471 H HN 0.271 nan 8.280 nan 0.000 0.533 472 Y N -0.880 119.567 120.300 0.244 0.000 2.133 472 Y HA -0.218 4.332 4.550 -0.001 0.000 0.287 472 Y C 2.501 178.606 175.900 0.341 0.000 1.134 472 Y CA 0.971 59.267 58.100 0.326 0.000 1.133 472 Y CB -1.078 37.790 38.460 0.679 0.000 0.987 472 Y HN 0.343 nan 8.280 nan 0.000 0.502 473 W N -0.398 121.009 121.300 0.179 0.000 2.335 473 W HA -0.246 4.413 4.660 -0.001 0.000 0.311 473 W C 2.583 179.105 176.519 0.006 0.000 1.213 473 W CA 1.159 58.545 57.345 0.068 0.000 1.274 473 W CB -0.505 28.939 29.460 -0.026 0.000 1.148 473 W HN 0.057 nan 8.180 nan 0.000 0.498 474 A N -0.086 122.841 122.820 0.180 0.000 1.930 474 A HA -0.152 4.168 4.320 -0.001 0.000 0.217 474 A C 1.799 179.360 177.584 -0.038 0.000 1.175 474 A CA 2.153 54.206 52.037 0.025 0.000 0.627 474 A CB -1.159 17.845 19.000 0.007 0.000 0.815 474 A HN 0.205 nan 8.150 nan 0.000 0.443 475 T N -0.791 113.704 114.554 -0.098 0.000 2.867 475 T HA -0.085 4.264 4.350 -0.001 0.000 0.268 475 T C 1.566 176.222 174.700 -0.074 0.000 1.057 475 T CA 1.425 63.436 62.100 -0.148 0.000 1.136 475 T CB -0.344 68.364 68.868 -0.266 0.000 0.874 475 T HN 0.512 nan 8.240 nan 0.000 0.466 476 F N 2.407 122.255 119.950 -0.170 0.000 2.146 476 F HA 0.115 4.642 4.527 -0.001 0.000 0.298 476 F C 2.416 178.127 175.800 -0.147 0.000 1.096 476 F CA 0.832 58.700 58.000 -0.221 0.000 1.275 476 F CB -0.718 38.090 39.000 -0.319 0.000 1.008 476 F HN 0.129 nan 8.300 nan 0.000 0.480 477 A N 0.407 123.096 122.820 -0.219 0.000 1.940 477 A HA -0.207 4.112 4.320 -0.001 0.000 0.219 477 A C 2.230 179.662 177.584 -0.252 0.000 1.176 477 A CA 2.013 53.884 52.037 -0.276 0.000 0.631 477 A CB -0.646 18.283 19.000 -0.119 0.000 0.814 477 A HN 0.510 nan 8.150 nan 0.000 0.446 478 K N -1.211 119.081 120.400 -0.180 0.000 2.044 478 K HA -0.053 4.266 4.320 -0.001 0.000 0.204 478 K C 2.098 178.610 176.600 -0.147 0.000 1.049 478 K CA 1.720 57.929 56.287 -0.130 0.000 0.945 478 K CB -0.159 32.291 32.500 -0.082 0.000 0.724 478 K HN 0.669 nan 8.250 nan 0.000 0.440 479 T N -4.000 110.451 114.554 -0.172 0.000 2.990 479 T HA 0.224 4.574 4.350 -0.001 0.000 0.249 479 T C 1.317 175.908 174.700 -0.181 0.000 1.039 479 T CA 0.433 62.448 62.100 -0.141 0.000 1.036 479 T CB 0.884 69.698 68.868 -0.090 0.000 0.994 479 T HN 0.309 nan 8.240 nan 0.000 0.489 480 G N 1.475 110.064 108.800 -0.352 0.000 2.141 480 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.231 480 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.231 480 G C -0.201 174.696 174.900 -0.005 0.000 0.984 480 G CA 0.001 44.872 45.100 -0.383 0.000 0.660 480 G HN 0.855 nan 8.290 nan 0.000 0.525 481 N N -0.334 118.336 118.700 -0.050 0.000 2.503 481 N HA 0.406 5.145 4.740 -0.001 0.000 0.287 481 N C -1.595 173.768 175.510 -0.244 0.000 1.096 481 N CA -1.380 51.568 53.050 -0.170 0.000 0.936 481 N CB 2.355 40.815 38.487 -0.045 0.000 1.570 481 N HN -0.068 nan 8.380 nan 0.000 0.504 482 P HA -0.065 nan 4.420 nan 0.000 0.225 482 P C -0.393 176.913 177.300 0.011 0.000 1.148 482 P CA 0.711 63.660 63.100 -0.251 0.000 0.779 482 P CB 0.346 31.674 31.700 -0.620 0.000 0.780 483 N N 1.292 119.962 118.700 -0.050 0.000 2.524 483 N HA 0.100 4.840 4.740 -0.001 0.000 0.283 483 N C 0.288 175.843 175.510 0.075 0.000 1.142 483 N CA -0.155 52.959 53.050 0.106 0.000 0.984 483 N CB 0.909 39.456 38.487 0.099 0.000 1.155 483 N HN 0.054 nan 8.380 nan 0.000 0.467 484 E N 1.853 122.134 120.200 0.134 0.000 2.223 484 E HA 0.115 4.464 4.350 -0.001 0.000 0.282 484 E C -1.382 175.245 176.600 0.046 0.000 1.046 484 E CA -1.533 54.934 56.400 0.111 0.000 0.857 484 E CB 1.002 30.811 29.700 0.182 0.000 1.055 484 E HN 0.312 nan 8.360 nan 0.000 0.409 485 P HA -0.200 nan 4.420 nan 0.000 0.219 485 P C 0.488 177.607 177.300 -0.302 0.000 1.159 485 P CA 1.620 64.596 63.100 -0.207 0.000 0.944 485 P CB 0.153 31.691 31.700 -0.270 0.000 0.792 486 H N -2.111 116.996 119.070 0.062 0.000 2.503 486 H HA 0.318 4.874 4.556 -0.001 0.000 0.296 486 H C 0.611 175.976 175.328 0.061 0.000 1.097 486 H CA -0.212 55.870 56.048 0.056 0.000 1.055 486 H CB -0.074 29.715 29.762 0.044 0.000 1.580 486 H HN 0.103 nan 8.280 nan 0.000 0.546 487 S N 0.489 116.271 115.700 0.137 0.000 2.600 487 S HA 0.023 4.493 4.470 -0.001 0.000 0.265 487 S C 1.269 175.934 174.600 0.109 0.000 1.325 487 S CA -0.216 58.058 58.200 0.123 0.000 1.002 487 S CB 1.108 64.386 63.200 0.130 0.000 0.921 487 S HN 0.330 nan 8.310 nan 0.000 0.554 488 Q N 0.539 120.393 119.800 0.091 0.000 2.247 488 Q HA 0.272 4.611 4.340 -0.001 0.000 0.211 488 Q C -0.102 175.945 176.000 0.077 0.000 0.861 488 Q CA 0.094 55.943 55.803 0.077 0.000 0.949 488 Q CB 0.170 28.944 28.738 0.060 0.000 1.115 488 Q HN 0.625 nan 8.270 nan 0.000 0.507 489 E N 0.926 121.181 120.200 0.091 0.000 2.410 489 E HA 0.072 4.421 4.350 -0.001 0.000 0.255 489 E C -0.190 176.481 176.600 0.118 0.000 1.194 489 E CA -0.047 56.414 56.400 0.101 0.000 0.955 489 E CB 0.522 30.295 29.700 0.121 0.000 0.988 489 E HN -0.133 nan 8.360 nan 0.000 0.461 490 S N 0.882 116.656 115.700 0.122 0.000 2.533 490 S HA 0.042 4.511 4.470 -0.001 0.000 0.282 490 S C -0.201 174.505 174.600 0.177 0.000 1.304 490 S CA -0.412 57.861 58.200 0.122 0.000 1.063 490 S CB 0.166 63.425 63.200 0.097 0.000 0.881 490 S HN 0.118 nan 8.310 nan 0.000 0.493 491 K N 3.471 123.967 120.400 0.161 0.000 2.234 491 K HA 0.123 4.442 4.320 -0.001 0.000 0.282 491 K C -0.380 176.374 176.600 0.257 0.000 1.039 491 K CA -0.398 56.013 56.287 0.206 0.000 0.928 491 K CB 0.614 33.214 32.500 0.165 0.000 1.039 491 K HN 0.686 nan 8.250 nan 0.000 0.470 492 W N 7.513 128.854 121.300 0.069 0.000 2.507 492 W HA 0.141 4.801 4.660 -0.001 0.000 0.334 492 W C -2.186 174.433 176.519 0.167 0.000 1.165 492 W CA -2.542 54.834 57.345 0.053 0.000 1.460 492 W CB -0.272 29.118 29.460 -0.116 0.000 1.404 492 W HN 0.392 nan 8.180 nan 0.000 0.435 493 P HA -0.026 nan 4.420 nan 0.000 0.269 493 P C -0.557 176.966 177.300 0.373 0.000 1.215 493 P CA -0.346 62.971 63.100 0.361 0.000 0.780 493 P CB 1.419 33.252 31.700 0.222 0.000 0.898 494 L N 3.212 124.527 121.223 0.154 0.000 2.367 494 L HA 0.284 4.624 4.340 -0.001 0.000 0.275 494 L C -0.149 176.725 176.870 0.007 0.000 1.129 494 L CA -0.461 54.301 54.840 -0.129 0.000 0.839 494 L CB -0.503 41.467 42.059 -0.149 0.000 1.133 494 L HN 0.206 nan 8.230 nan 0.000 0.453 495 F N 4.843 124.708 119.950 -0.141 0.000 2.445 495 F HA 0.470 4.997 4.527 -0.001 0.000 0.359 495 F C 0.310 176.084 175.800 -0.044 0.000 1.101 495 F CA -0.095 57.900 58.000 -0.008 0.000 1.177 495 F CB 0.464 39.486 39.000 0.037 0.000 1.110 495 F HN 0.666 nan 8.300 nan 0.000 0.522 496 T N 1.245 115.536 114.554 -0.439 0.000 2.924 496 T HA 0.267 4.617 4.350 -0.001 0.000 0.291 496 T C 0.914 175.349 174.700 -0.442 0.000 1.045 496 T CA -0.433 61.498 62.100 -0.282 0.000 1.015 496 T CB 1.510 70.278 68.868 -0.166 0.000 1.103 496 T HN 0.525 nan 8.240 nan 0.000 0.496 497 T N 0.622 115.066 114.554 -0.184 0.000 2.803 497 T HA -0.103 4.247 4.350 -0.001 0.000 0.269 497 T C 1.710 176.314 174.700 -0.159 0.000 1.052 497 T CA 1.668 63.691 62.100 -0.127 0.000 1.136 497 T CB -0.243 68.591 68.868 -0.057 0.000 0.864 497 T HN 0.718 nan 8.240 nan 0.000 0.467 498 K N 0.396 120.703 120.400 -0.155 0.000 2.029 498 K HA -0.055 4.265 4.320 -0.001 0.000 0.205 498 K C 2.206 178.724 176.600 -0.137 0.000 1.042 498 K CA 0.940 57.157 56.287 -0.117 0.000 0.949 498 K CB 0.167 32.617 32.500 -0.084 0.000 0.740 498 K HN 0.121 nan 8.250 nan 0.000 0.442 499 E N 0.693 120.787 120.200 -0.177 0.000 2.122 499 E HA -0.101 4.249 4.350 -0.001 0.000 0.190 499 E C 0.087 176.561 176.600 -0.210 0.000 0.977 499 E CA 0.470 56.780 56.400 -0.149 0.000 0.820 499 E CB -0.013 29.620 29.700 -0.110 0.000 0.770 499 E HN 0.327 nan 8.360 nan 0.000 0.462 500 Q N 0.686 120.181 119.800 -0.508 0.000 2.453 500 Q HA -0.197 4.143 4.340 -0.001 0.000 0.294 500 Q C -0.640 175.305 176.000 -0.093 0.000 1.295 500 Q CA 0.656 55.990 55.803 -0.782 0.000 0.853 500 Q CB -1.636 26.932 28.738 -0.283 0.000 1.193 500 Q HN 0.200 nan 8.270 nan 0.000 0.461 501 K N 0.562 120.947 120.400 -0.027 0.000 2.202 501 K HA 0.544 4.864 4.320 -0.001 0.000 0.264 501 K C 0.011 176.924 176.600 0.522 0.000 1.010 501 K CA 0.159 56.568 56.287 0.204 0.000 0.940 501 K CB 0.450 33.011 32.500 0.101 0.000 0.983 501 K HN 0.225 nan 8.250 nan 0.000 0.475 502 F N -0.014 120.111 119.950 0.291 0.000 2.711 502 F HA 0.600 5.126 4.527 -0.001 0.000 0.313 502 F C -1.130 174.782 175.800 0.187 0.000 1.141 502 F CA -1.492 56.711 58.000 0.338 0.000 0.941 502 F CB 0.781 39.988 39.000 0.345 0.000 1.349 502 F HN 0.426 nan 8.300 nan 0.000 0.464 503 I N -0.730 119.937 120.570 0.162 0.000 2.957 503 I HA 0.653 4.823 4.170 -0.001 0.000 0.310 503 I C -1.151 175.074 176.117 0.180 0.000 1.063 503 I CA -0.837 60.388 61.300 -0.125 0.000 1.033 503 I CB 2.083 39.826 38.000 -0.427 0.000 1.230 503 I HN 0.478 nan 8.210 nan 0.000 0.447 504 D N 2.808 123.288 120.400 0.134 0.000 2.294 504 D HA 0.490 5.129 4.640 -0.001 0.000 0.250 504 D C -0.988 175.401 176.300 0.148 0.000 1.058 504 D CA -0.007 54.185 54.000 0.319 0.000 0.950 504 D CB 2.313 43.304 40.800 0.318 0.000 1.158 504 D HN 0.248 nan 8.370 nan 0.000 0.453 505 L N 2.743 124.068 121.223 0.170 0.000 2.401 505 L HA 0.273 4.613 4.340 -0.001 0.000 0.263 505 L C -0.618 176.205 176.870 -0.077 0.000 1.004 505 L CA -0.356 54.537 54.840 0.089 0.000 0.881 505 L CB 0.134 42.331 42.059 0.230 0.000 1.219 505 L HN 0.494 nan 8.230 nan 0.000 0.441 506 N N -0.571 118.077 118.700 -0.086 0.000 3.449 506 N HA 0.326 5.066 4.740 -0.001 0.000 0.312 506 N C 0.245 175.657 175.510 -0.163 0.000 1.582 506 N CA -0.072 52.871 53.050 -0.178 0.000 0.850 506 N CB 0.435 38.871 38.487 -0.084 0.000 1.822 506 N HN 0.038 nan 8.380 nan 0.000 0.577 507 T N -3.531 110.905 114.554 -0.198 0.000 3.169 507 T HA 0.265 4.615 4.350 -0.001 0.000 0.250 507 T C -0.186 174.484 174.700 -0.051 0.000 1.111 507 T CA 0.117 62.129 62.100 -0.147 0.000 1.010 507 T CB -0.594 68.159 68.868 -0.190 0.000 0.984 507 T HN 0.475 nan 8.240 nan 0.000 0.537 508 E N 1.820 122.006 120.200 -0.022 0.000 2.250 508 E HA 0.418 4.768 4.350 -0.001 0.000 0.265 508 E C -2.644 173.960 176.600 0.006 0.000 1.033 508 E CA -2.693 53.710 56.400 0.005 0.000 0.888 508 E CB 0.564 30.279 29.700 0.026 0.000 1.151 508 E HN 0.136 nan 8.360 nan 0.000 0.412 509 P HA -0.084 nan 4.420 nan 0.000 0.265 509 P C -0.451 176.852 177.300 0.005 0.000 1.193 509 P CA 0.341 63.448 63.100 0.011 0.000 0.765 509 P CB 0.349 32.056 31.700 0.011 0.000 0.823 510 M N 3.595 123.200 119.600 0.009 0.000 2.255 510 M HA -0.067 4.413 4.480 -0.001 0.000 0.356 510 M C -0.423 175.838 176.300 -0.065 0.000 1.338 510 M CA 1.241 56.532 55.300 -0.015 0.000 0.962 510 M CB -0.079 32.528 32.600 0.011 0.000 1.877 510 M HN 0.227 nan 8.290 nan 0.000 0.463 511 K N 4.406 124.728 120.400 -0.130 0.000 2.426 511 K HA 0.521 4.841 4.320 -0.001 0.000 0.254 511 K C -1.426 174.868 176.600 -0.510 0.000 0.936 511 K CA -0.871 55.253 56.287 -0.272 0.000 0.801 511 K CB 2.415 34.770 32.500 -0.243 0.000 1.139 511 K HN 0.488 nan 8.250 nan 0.000 0.424 512 V N 4.167 123.784 119.914 -0.496 0.000 2.567 512 V HA 0.298 4.418 4.120 -0.001 0.000 0.289 512 V C 0.036 175.673 176.094 -0.761 0.000 1.049 512 V CA -0.406 61.591 62.300 -0.506 0.000 0.969 512 V CB 1.019 32.710 31.823 -0.220 0.000 0.995 512 V HN 0.721 nan 8.190 nan 0.000 0.471 513 H N 2.842 121.574 119.070 -0.562 0.000 2.949 513 H HA 0.668 5.224 4.556 -0.001 0.000 0.310 513 H C -1.035 174.081 175.328 -0.353 0.000 1.405 513 H CA -0.840 54.868 56.048 -0.566 0.000 1.253 513 H CB 2.009 31.217 29.762 -0.922 0.000 1.932 513 H HN 0.564 nan 8.280 nan 0.000 0.602 514 Q N 0.200 120.074 119.800 0.125 0.000 2.379 514 Q HA 0.363 4.703 4.340 -0.001 0.000 0.278 514 Q C -0.776 175.451 176.000 0.378 0.000 1.068 514 Q CA -0.874 55.088 55.803 0.264 0.000 0.816 514 Q CB 2.985 31.793 28.738 0.116 0.000 1.387 514 Q HN 0.466 nan 8.270 nan 0.000 0.413 515 R N 0.948 121.660 120.500 0.353 0.000 3.079 515 R HA -0.206 4.134 4.340 -0.001 0.000 0.254 515 R C -0.589 175.838 176.300 0.211 0.000 0.900 515 R CA -0.137 56.114 56.100 0.251 0.000 0.641 515 R CB -1.454 28.940 30.300 0.156 0.000 1.307 515 R HN 0.470 nan 8.270 nan 0.000 0.477 516 L N 2.443 123.727 121.223 0.100 0.000 2.660 516 L HA -0.047 4.293 4.340 -0.001 0.000 0.272 516 L C 0.834 177.659 176.870 -0.076 0.000 1.194 516 L CA 0.810 55.506 54.840 -0.239 0.000 0.945 516 L CB -0.160 41.453 42.059 -0.743 0.000 1.212 516 L HN 0.452 nan 8.230 nan 0.000 0.490 517 R N 2.199 122.668 120.500 -0.052 0.000 3.301 517 R HA -0.207 4.132 4.340 -0.001 0.000 0.249 517 R C 1.253 177.607 176.300 0.090 0.000 0.964 517 R CA 0.583 56.699 56.100 0.028 0.000 0.653 517 R CB -1.979 28.355 30.300 0.056 0.000 1.043 517 R HN 0.757 nan 8.270 nan 0.000 0.454 518 V N -2.799 117.168 119.914 0.088 0.000 2.287 518 V HA -0.351 3.768 4.120 -0.001 0.000 0.248 518 V C 2.297 178.461 176.094 0.116 0.000 1.053 518 V CA 2.127 64.493 62.300 0.110 0.000 1.027 518 V CB -0.496 31.385 31.823 0.097 0.000 0.646 518 V HN 0.326 nan 8.190 nan 0.000 0.447 519 Q N -0.178 119.672 119.800 0.082 0.000 2.045 519 Q HA -0.204 4.135 4.340 -0.001 0.000 0.206 519 Q C 2.179 178.241 176.000 0.104 0.000 0.991 519 Q CA 2.434 58.273 55.803 0.060 0.000 0.851 519 Q CB -0.443 28.299 28.738 0.007 0.000 0.911 519 Q HN 0.565 nan 8.270 nan 0.000 0.418 520 M N -1.011 118.676 119.600 0.145 0.000 2.132 520 M HA -0.086 4.393 4.480 -0.001 0.000 0.263 520 M C 2.627 179.217 176.300 0.484 0.000 1.065 520 M CA 1.531 57.007 55.300 0.293 0.000 1.122 520 M CB -1.861 30.975 32.600 0.393 0.000 1.365 520 M HN 0.605 nan 8.290 nan 0.000 0.411 521 C N -0.232 119.288 119.300 0.368 0.000 2.422 521 C HA 0.009 4.468 4.460 -0.001 0.000 0.279 521 C C 2.893 178.067 174.990 0.306 0.000 1.305 521 C CA 0.986 60.218 59.018 0.357 0.000 1.757 521 C CB -1.300 26.584 27.740 0.239 0.000 1.962 521 C HN 0.301 nan 8.230 nan 0.000 0.499 522 V N -0.258 119.800 119.914 0.240 0.000 2.515 522 V HA -0.148 3.972 4.120 -0.001 0.000 0.250 522 V C 2.286 178.505 176.094 0.208 0.000 1.058 522 V CA 2.100 64.515 62.300 0.192 0.000 1.064 522 V CB -0.841 31.066 31.823 0.141 0.000 0.675 522 V HN 0.701 nan 8.190 nan 0.000 0.461 523 F N -0.088 119.906 119.950 0.073 0.000 2.113 523 F HA -0.152 4.374 4.527 -0.001 0.000 0.297 523 F C 1.937 177.721 175.800 -0.027 0.000 1.103 523 F CA 1.594 59.584 58.000 -0.018 0.000 1.248 523 F CB -0.337 38.533 39.000 -0.216 0.000 0.999 523 F HN 0.168 nan 8.300 nan 0.000 0.475 524 W N 0.525 121.928 121.300 0.172 0.000 2.476 524 W HA -0.054 4.606 4.660 -0.001 0.000 0.281 524 W C 1.973 178.475 176.519 -0.028 0.000 1.230 524 W CA 0.693 58.067 57.345 0.048 0.000 1.287 524 W CB -0.372 29.229 29.460 0.234 0.000 1.108 524 W HN -0.032 nan 8.180 nan 0.000 0.567 525 N N -0.777 118.044 118.700 0.202 0.000 2.415 525 N HA -0.002 4.738 4.740 -0.001 0.000 0.174 525 N C 1.391 176.908 175.510 0.011 0.000 1.048 525 N CA 0.839 53.923 53.050 0.058 0.000 0.895 525 N CB -0.031 38.507 38.487 0.085 0.000 1.036 525 N HN 0.362 nan 8.380 nan 0.000 0.449 526 Q N -0.926 118.901 119.800 0.044 0.000 2.606 526 Q HA 0.190 4.530 4.340 -0.001 0.000 0.215 526 Q C 1.285 177.290 176.000 0.008 0.000 0.908 526 Q CA -0.069 55.760 55.803 0.042 0.000 0.908 526 Q CB 0.041 28.836 28.738 0.096 0.000 1.120 526 Q HN 0.104 nan 8.270 nan 0.000 0.628 527 F N 2.011 121.872 119.950 -0.149 0.000 2.060 527 F HA -0.188 4.339 4.527 -0.001 0.000 0.295 527 F C 2.024 177.631 175.800 -0.322 0.000 1.120 527 F CA 1.047 58.923 58.000 -0.207 0.000 1.205 527 F CB -0.386 38.505 39.000 -0.183 0.000 0.986 527 F HN 0.041 nan 8.300 nan 0.000 0.470 528 L N 1.209 122.014 121.223 -0.697 0.000 2.013 528 L HA -0.116 4.223 4.340 -0.001 0.000 0.212 528 L C -0.837 175.749 176.870 -0.473 0.000 1.073 528 L CA 2.280 56.653 54.840 -0.779 0.000 0.753 528 L CB -2.012 39.502 42.059 -0.908 0.000 0.890 528 L HN 0.022 nan 8.230 nan 0.000 0.432 529 P HA -0.210 nan 4.420 nan 0.000 0.215 529 P C 1.485 178.662 177.300 -0.205 0.000 1.153 529 P CA 1.648 64.644 63.100 -0.174 0.000 0.853 529 P CB -0.064 31.572 31.700 -0.107 0.000 0.788 530 K N -0.128 120.120 120.400 -0.255 0.000 2.057 530 K HA -0.135 4.184 4.320 -0.001 0.000 0.207 530 K C 2.026 178.447 176.600 -0.298 0.000 1.049 530 K CA 1.015 57.164 56.287 -0.230 0.000 0.931 530 K CB -0.772 31.608 32.500 -0.199 0.000 0.714 530 K HN 0.053 nan 8.250 nan 0.000 0.440 531 L N 0.942 121.866 121.223 -0.499 0.000 2.017 531 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 531 L C 2.090 178.800 176.870 -0.268 0.000 1.073 531 L CA 1.272 55.836 54.840 -0.459 0.000 0.745 531 L CB -0.199 41.443 42.059 -0.694 0.000 0.894 531 L HN 0.248 nan 8.230 nan 0.000 0.432 532 L N -0.014 121.061 121.223 -0.247 0.000 2.131 532 L HA -0.246 4.094 4.340 -0.001 0.000 0.210 532 L C 2.400 179.205 176.870 -0.108 0.000 1.092 532 L CA 1.623 56.369 54.840 -0.158 0.000 0.759 532 L CB -0.819 41.161 42.059 -0.131 0.000 0.903 532 L HN 0.508 nan 8.230 nan 0.000 0.435 533 N N 0.110 118.743 118.700 -0.111 0.000 2.300 533 N HA -0.103 4.637 4.740 -0.001 0.000 0.179 533 N C 1.810 177.278 175.510 -0.070 0.000 1.016 533 N CA 0.969 53.974 53.050 -0.076 0.000 0.876 533 N CB 0.271 38.716 38.487 -0.071 0.000 0.979 533 N HN 0.299 nan 8.380 nan 0.000 0.432 534 A N 0.271 123.037 122.820 -0.090 0.000 1.935 534 A HA 0.036 4.355 4.320 -0.001 0.000 0.214 534 A C 1.394 178.942 177.584 -0.061 0.000 1.178 534 A CA 1.220 53.214 52.037 -0.070 0.000 0.640 534 A CB -0.432 18.520 19.000 -0.079 0.000 0.825 534 A HN 0.506 nan 8.150 nan 0.000 0.447 535 T N 0.000 114.509 114.554 -0.075 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.064 62.100 -0.059 0.000 1.349 535 T CB 0.000 68.829 68.868 -0.065 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658