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 1w76_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 XXXXXXFSFV 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 EPXXXXSKWP 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 0.000 174.639 174.600 0.066 0.000 1.055 4 S CA 0.000 58.226 58.200 0.043 0.000 1.107 4 S CB 0.000 63.227 63.200 0.045 0.000 0.593 5 E N 3.632 123.879 120.200 0.078 0.000 2.152 5 E HA 0.017 4.367 4.350 0.000 0.000 0.192 5 E C 1.088 177.811 176.600 0.206 0.000 0.983 5 E CA 0.934 57.406 56.400 0.118 0.000 0.818 5 E CB 0.017 29.780 29.700 0.104 0.000 0.758 5 E HN 0.785 nan 8.360 nan 0.000 0.467 6 L N 0.905 122.228 121.223 0.166 0.000 2.558 6 L HA 0.101 4.442 4.340 0.000 0.000 0.225 6 L C 0.555 177.630 176.870 0.341 0.000 1.128 6 L CA -0.243 54.720 54.840 0.205 0.000 0.868 6 L CB 0.157 42.231 42.059 0.025 0.000 1.006 6 L HN 0.187 nan 8.230 nan 0.000 0.454 7 L N 1.050 122.408 121.223 0.224 0.000 2.264 7 L HA 0.468 4.809 4.340 0.000 0.000 0.287 7 L C -0.570 176.367 176.870 0.111 0.000 1.039 7 L CA -0.120 54.832 54.840 0.187 0.000 0.829 7 L CB 1.160 43.283 42.059 0.106 0.000 1.211 7 L HN -0.313 nan 8.230 nan 0.000 0.427 8 V N 4.569 124.534 119.914 0.085 0.000 2.628 8 V HA 0.516 4.636 4.120 0.000 0.000 0.306 8 V C -0.372 175.641 176.094 -0.135 0.000 1.045 8 V CA -0.797 61.398 62.300 -0.175 0.000 0.905 8 V CB 2.011 33.447 31.823 -0.645 0.000 0.997 8 V HN 0.813 nan 8.190 nan 0.000 0.436 9 N N 2.329 120.881 118.700 -0.246 0.000 2.419 9 N HA 0.610 5.350 4.740 0.000 0.000 0.277 9 N C -0.354 174.892 175.510 -0.439 0.000 1.006 9 N CA -0.102 52.795 53.050 -0.255 0.000 0.923 9 N CB 1.705 40.028 38.487 -0.273 0.000 1.140 9 N HN 0.941 nan 8.380 nan 0.000 0.488 10 T N -0.092 114.301 114.554 -0.269 0.000 2.883 10 T HA 0.397 4.747 4.350 0.000 0.000 0.284 10 T C 0.819 175.351 174.700 -0.280 0.000 1.041 10 T CA -0.611 61.335 62.100 -0.256 0.000 1.007 10 T CB 0.998 69.952 68.868 0.143 0.000 1.220 10 T HN 0.408 nan 8.240 nan 0.000 0.552 11 K N 0.254 120.544 120.400 -0.183 0.000 2.442 11 K HA 0.042 4.363 4.320 0.000 0.000 0.198 11 K C 1.385 177.865 176.600 -0.200 0.000 1.044 11 K CA 1.003 57.192 56.287 -0.164 0.000 0.948 11 K CB -0.049 32.402 32.500 -0.082 0.000 0.762 11 K HN 0.488 nan 8.250 nan 0.000 0.472 12 S N -0.402 115.140 115.700 -0.263 0.000 2.559 12 S HA 0.262 4.732 4.470 0.000 0.000 0.226 12 S C 0.296 174.105 174.600 -1.318 0.000 1.000 12 S CA -0.093 57.790 58.200 -0.530 0.000 0.948 12 S CB 1.492 64.529 63.200 -0.273 0.000 0.870 12 S HN 0.468 nan 8.310 nan 0.000 0.497 13 G N 1.617 109.876 108.800 -0.902 0.000 2.347 13 G HA2 0.160 4.120 3.960 0.000 0.000 0.321 13 G HA3 0.160 4.120 3.960 0.000 0.000 0.321 13 G C -1.851 172.976 174.900 -0.122 0.000 1.412 13 G CA -1.180 43.352 45.100 -0.946 0.000 0.990 13 G HN -0.039 nan 8.290 nan 0.000 0.637 14 K N -0.584 119.926 120.400 0.183 0.000 2.258 14 K HA 0.646 4.966 4.320 0.000 0.000 0.264 14 K C -0.275 176.679 176.600 0.590 0.000 1.007 14 K CA -0.420 56.044 56.287 0.295 0.000 0.941 14 K CB 1.853 34.492 32.500 0.232 0.000 0.966 14 K HN 0.578 nan 8.250 nan 0.000 0.480 15 V N 2.702 122.886 119.914 0.450 0.000 2.760 15 V HA 0.286 4.406 4.120 0.000 0.000 0.309 15 V C -1.180 175.187 176.094 0.454 0.000 1.077 15 V CA -0.898 61.726 62.300 0.540 0.000 0.910 15 V CB 2.036 34.216 31.823 0.596 0.000 1.008 15 V HN 0.748 nan 8.190 nan 0.000 0.424 16 M N 4.834 124.683 119.600 0.415 0.000 2.043 16 M HA 0.736 5.216 4.480 0.000 0.000 0.322 16 M C 0.185 176.629 176.300 0.239 0.000 0.962 16 M CA 0.017 55.499 55.300 0.303 0.000 0.927 16 M CB 0.904 33.605 32.600 0.168 0.000 1.466 16 M HN 0.701 nan 8.290 nan 0.000 0.412 17 G N 1.601 110.499 108.800 0.163 0.000 2.508 17 G HA2 0.585 4.546 3.960 0.000 0.000 0.278 17 G HA3 0.585 4.546 3.960 0.000 0.000 0.278 17 G C -0.970 173.750 174.900 -0.300 0.000 1.389 17 G CA -0.314 44.555 45.100 -0.384 0.000 1.050 17 G HN 0.659 nan 8.290 nan 0.000 0.522 18 T N -1.631 112.685 114.554 -0.396 0.000 2.916 18 T HA 0.506 4.857 4.350 0.000 0.000 0.305 18 T C -0.640 173.931 174.700 -0.215 0.000 1.119 18 T CA -0.708 61.252 62.100 -0.232 0.000 1.008 18 T CB 1.463 70.224 68.868 -0.180 0.000 1.129 18 T HN 0.549 nan 8.240 nan 0.000 0.480 19 R N 2.859 123.282 120.500 -0.129 0.000 2.265 19 R HA 0.627 4.967 4.340 0.000 0.000 0.314 19 R C -0.234 176.051 176.300 -0.024 0.000 1.053 19 R CA -0.466 55.591 56.100 -0.072 0.000 0.931 19 R CB 0.446 30.697 30.300 -0.082 0.000 1.024 19 R HN 0.579 nan 8.270 nan 0.000 0.457 20 V N 2.159 122.095 119.914 0.036 0.000 2.960 20 V HA 0.742 4.862 4.120 0.000 0.000 0.315 20 V C -2.602 173.565 176.094 0.122 0.000 1.087 20 V CA -2.659 59.677 62.300 0.061 0.000 0.982 20 V CB 1.964 33.800 31.823 0.022 0.000 1.039 20 V HN 0.755 nan 8.190 nan 0.000 0.437 21 P HA 0.467 nan 4.420 nan 0.000 0.284 21 P C -1.067 176.111 177.300 -0.203 0.000 1.253 21 P CA -0.294 62.746 63.100 -0.099 0.000 0.800 21 P CB 1.707 33.370 31.700 -0.062 0.000 0.961 22 V N 4.549 124.258 119.914 -0.342 0.000 2.577 22 V HA 0.126 4.247 4.120 0.000 0.000 0.294 22 V C 0.668 176.502 176.094 -0.434 0.000 1.052 22 V CA -0.817 61.245 62.300 -0.396 0.000 0.891 22 V CB 1.173 32.676 31.823 -0.533 0.000 1.017 22 V HN 0.501 nan 8.190 nan 0.000 0.436 23 L N 4.330 125.427 121.223 -0.209 0.000 3.854 23 L HA -0.240 4.100 4.340 0.000 0.000 0.460 23 L C 0.815 177.559 176.870 -0.210 0.000 1.228 23 L CA 0.675 55.420 54.840 -0.159 0.000 0.760 23 L CB -1.684 40.300 42.059 -0.125 0.000 1.597 23 L HN 1.260 nan 8.230 nan 0.000 0.852 24 S N -2.114 113.457 115.700 -0.215 0.000 3.625 24 S HA -0.075 4.395 4.470 0.000 0.000 0.426 24 S C 0.049 174.491 174.600 -0.262 0.000 0.884 24 S CA 0.844 58.920 58.200 -0.207 0.000 1.322 24 S CB -1.189 61.951 63.200 -0.100 0.000 0.905 24 S HN 1.217 nan 8.310 nan 0.000 0.586 25 S N 0.292 115.703 115.700 -0.480 0.000 2.627 25 S HA 0.696 5.166 4.470 0.000 0.000 0.270 25 S C -1.794 172.341 174.600 -0.776 0.000 1.147 25 S CA -0.371 57.569 58.200 -0.434 0.000 0.944 25 S CB 0.481 63.553 63.200 -0.213 0.000 1.201 25 S HN 1.137 nan 8.310 nan 0.000 0.479 26 H N -0.228 118.824 119.070 -0.029 0.000 3.017 26 H HA 0.830 5.387 4.556 0.000 0.000 0.346 26 H C -0.669 174.704 175.328 0.075 0.000 1.286 26 H CA -0.197 55.844 56.048 -0.011 0.000 1.120 26 H CB 1.227 30.991 29.762 0.002 0.000 1.860 26 H HN 0.796 nan 8.280 nan 0.000 0.542 27 I N -2.458 118.238 120.570 0.210 0.000 3.181 27 I HA 0.658 4.828 4.170 0.000 0.000 0.311 27 I C -1.092 175.111 176.117 0.144 0.000 1.287 27 I CA -1.077 60.349 61.300 0.211 0.000 0.958 27 I CB 2.515 40.676 38.000 0.268 0.000 1.294 27 I HN 0.438 nan 8.210 nan 0.000 0.467 28 S N 1.637 117.418 115.700 0.135 0.000 2.562 28 S HA 0.814 5.284 4.470 0.000 0.000 0.275 28 S C -0.178 174.360 174.600 -0.104 0.000 1.281 28 S CA -0.475 57.707 58.200 -0.030 0.000 1.045 28 S CB 1.416 64.635 63.200 0.031 0.000 0.962 28 S HN 0.890 nan 8.310 nan 0.000 0.503 29 A N 2.149 124.721 122.820 -0.412 0.000 2.374 29 A HA 0.771 5.091 4.320 0.000 0.000 0.305 29 A C -1.267 175.895 177.584 -0.704 0.000 1.053 29 A CA -0.680 51.036 52.037 -0.534 0.000 0.726 29 A CB 0.494 19.200 19.000 -0.489 0.000 1.229 29 A HN 0.673 nan 8.150 nan 0.000 0.431 30 F N 2.970 122.758 119.950 -0.269 0.000 2.359 30 F HA 0.438 4.965 4.527 0.000 0.000 0.370 30 F C -0.160 175.509 175.800 -0.219 0.000 1.077 30 F CA -0.328 57.607 58.000 -0.107 0.000 1.136 30 F CB 1.100 40.145 39.000 0.074 0.000 1.387 30 F HN 0.359 nan 8.300 nan 0.000 0.468 31 L N 1.975 123.128 121.223 -0.116 0.000 2.325 31 L HA 0.681 5.022 4.340 0.000 0.000 0.279 31 L C 1.093 177.987 176.870 0.040 0.000 1.054 31 L CA -0.880 53.889 54.840 -0.119 0.000 0.804 31 L CB 1.319 43.207 42.059 -0.286 0.000 1.200 31 L HN 0.813 nan 8.230 nan 0.000 0.436 32 G N 2.918 111.771 108.800 0.089 0.000 2.221 32 G HA2 -0.264 3.697 3.960 0.000 0.000 0.265 32 G HA3 -0.264 3.697 3.960 0.000 0.000 0.265 32 G C -0.058 174.927 174.900 0.141 0.000 1.041 32 G CA -0.295 44.856 45.100 0.085 0.000 0.807 32 G HN 0.488 nan 8.290 nan 0.000 0.502 33 I N 2.267 122.852 120.570 0.024 0.000 2.452 33 I HA 0.214 4.384 4.170 0.000 0.000 0.287 33 I C -1.370 174.560 176.117 -0.312 0.000 1.079 33 I CA -2.057 59.087 61.300 -0.260 0.000 1.387 33 I CB 1.041 38.871 38.000 -0.283 0.000 1.404 33 I HN -0.012 nan 8.210 nan 0.000 0.522 34 P HA 0.041 nan 4.420 nan 0.000 0.276 34 P C -0.287 176.672 177.300 -0.569 0.000 1.230 34 P CA 0.025 62.658 63.100 -0.778 0.000 0.776 34 P CB 0.615 31.756 31.700 -0.931 0.000 0.888 35 F N 0.980 120.604 119.950 -0.542 0.000 2.767 35 F HA 0.715 5.242 4.527 0.000 0.000 0.323 35 F C 0.095 175.800 175.800 -0.160 0.000 1.091 35 F CA -0.777 56.976 58.000 -0.413 0.000 1.192 35 F CB 0.010 38.724 39.000 -0.477 0.000 1.056 35 F HN 0.349 nan 8.300 nan 0.000 0.571 36 A N 0.061 122.575 122.820 -0.511 0.000 2.564 36 A HA 0.650 4.970 4.320 0.000 0.000 0.288 36 A C -0.841 176.574 177.584 -0.282 0.000 1.164 36 A CA -0.772 51.108 52.037 -0.261 0.000 0.712 36 A CB 1.012 19.841 19.000 -0.285 0.000 1.303 36 A HN 0.054 nan 8.150 nan 0.000 0.418 37 E N 0.672 120.786 120.200 -0.142 0.000 2.366 37 E HA 0.326 4.676 4.350 0.000 0.000 0.266 37 E C -2.396 174.107 176.600 -0.161 0.000 1.051 37 E CA -1.537 54.797 56.400 -0.109 0.000 0.884 37 E CB 0.245 29.923 29.700 -0.038 0.000 1.006 37 E HN 0.228 nan 8.360 nan 0.000 0.417 38 P HA 0.031 nan 4.420 nan 0.000 0.261 38 P C -2.191 175.046 177.300 -0.106 0.000 1.203 38 P CA -0.823 62.198 63.100 -0.132 0.000 0.767 38 P CB -0.023 31.640 31.700 -0.061 0.000 0.785 39 P HA -0.018 nan 4.420 nan 0.000 0.232 39 P C -0.132 177.103 177.300 -0.109 0.000 1.738 39 P CA 0.205 63.244 63.100 -0.102 0.000 0.948 39 P CB -0.183 31.457 31.700 -0.099 0.000 1.943 40 V N -2.863 116.996 119.914 -0.092 0.000 3.267 40 V HA 0.887 5.007 4.120 0.000 0.000 0.317 40 V C 1.048 177.090 176.094 -0.087 0.000 1.131 40 V CA 0.082 62.327 62.300 -0.093 0.000 1.031 40 V CB 0.583 32.363 31.823 -0.071 0.000 1.159 40 V HN 0.516 nan 8.190 nan 0.000 0.454 41 G N 0.692 109.441 108.800 -0.086 0.000 2.611 41 G HA2 -0.391 3.569 3.960 0.000 0.000 0.301 41 G HA3 -0.391 3.569 3.960 0.000 0.000 0.301 41 G C 0.940 175.779 174.900 -0.102 0.000 1.233 41 G CA 1.623 46.674 45.100 -0.082 0.000 0.993 41 G HN 2.144 nan 8.290 nan 0.000 0.553 42 N N -0.102 118.548 118.700 -0.083 0.000 2.573 42 N HA 0.176 4.916 4.740 0.000 0.000 0.187 42 N C 2.232 177.704 175.510 -0.063 0.000 1.107 42 N CA 2.191 55.194 53.050 -0.079 0.000 0.918 42 N CB -0.404 38.050 38.487 -0.055 0.000 0.966 42 N HN 0.617 nan 8.380 nan 0.000 0.448 43 M N -0.498 119.057 119.600 -0.075 0.000 2.514 43 M HA 0.085 4.565 4.480 0.000 0.000 0.258 43 M C 1.127 177.363 176.300 -0.108 0.000 1.119 43 M CA -0.003 55.257 55.300 -0.066 0.000 1.111 43 M CB -0.148 32.417 32.600 -0.058 0.000 1.390 43 M HN 0.323 nan 8.290 nan 0.000 0.475 44 R N 0.930 121.308 120.500 -0.203 0.000 2.537 44 R HA -0.109 4.231 4.340 0.000 0.000 0.281 44 R C -0.393 175.637 176.300 -0.449 0.000 0.988 44 R CA 0.773 56.621 56.100 -0.420 0.000 1.077 44 R CB 0.102 30.033 30.300 -0.616 0.000 0.932 44 R HN 0.237 nan 8.270 nan 0.000 0.409 45 F N -0.552 119.388 119.950 -0.017 0.000 2.502 45 F HA -0.275 4.252 4.527 0.000 0.000 0.480 45 F C 0.555 176.326 175.800 -0.048 0.000 0.543 45 F CA 0.772 58.737 58.000 -0.057 0.000 1.350 45 F CB -1.357 37.597 39.000 -0.076 0.000 1.999 45 F HN 0.616 nan 8.300 nan 0.000 0.267 46 R N 1.359 121.916 120.500 0.095 0.000 2.528 46 R HA 0.528 4.868 4.340 0.000 0.000 0.271 46 R C 0.666 176.985 176.300 0.033 0.000 1.056 46 R CA -0.899 55.236 56.100 0.059 0.000 1.117 46 R CB 0.650 30.970 30.300 0.033 0.000 1.085 46 R HN 0.110 nan 8.270 nan 0.000 0.530 47 R N 1.886 122.407 120.500 0.035 0.000 2.758 47 R HA 0.011 4.352 4.340 0.000 0.000 0.263 47 R C -1.846 174.472 176.300 0.031 0.000 1.010 47 R CA -0.664 55.457 56.100 0.036 0.000 1.114 47 R CB -0.181 30.146 30.300 0.046 0.000 0.985 47 R HN 0.405 nan 8.270 nan 0.000 0.439 48 P HA 0.098 nan 4.420 nan 0.000 0.274 48 P C -0.919 176.408 177.300 0.045 0.000 1.237 48 P CA -0.095 63.028 63.100 0.040 0.000 0.793 48 P CB 0.907 32.658 31.700 0.085 0.000 0.977 49 E N 1.474 121.691 120.200 0.028 0.000 2.222 49 E HA 0.442 4.792 4.350 0.000 0.000 0.267 49 E C -2.421 174.206 176.600 0.046 0.000 0.884 49 E CA -2.872 53.548 56.400 0.035 0.000 0.764 49 E CB 0.911 30.621 29.700 0.017 0.000 1.169 49 E HN 0.269 nan 8.360 nan 0.000 0.413 50 P HA -0.001 nan 4.420 nan 0.000 0.266 50 P C -0.601 176.750 177.300 0.085 0.000 1.195 50 P CA -0.303 62.859 63.100 0.104 0.000 0.768 50 P CB 0.454 32.223 31.700 0.115 0.000 0.838 51 K N 3.787 124.248 120.400 0.101 0.000 2.484 51 K HA 0.002 4.322 4.320 0.000 0.000 0.280 51 K C 0.137 176.823 176.600 0.144 0.000 1.013 51 K CA 0.500 56.845 56.287 0.097 0.000 1.029 51 K CB 0.030 32.601 32.500 0.119 0.000 0.902 51 K HN 0.180 nan 8.250 nan 0.000 0.481 52 K N 5.811 126.297 120.400 0.143 0.000 2.249 52 K HA 0.230 4.550 4.320 0.000 0.000 0.280 52 K C -2.292 174.421 176.600 0.189 0.000 1.033 52 K CA -1.970 54.396 56.287 0.132 0.000 0.946 52 K CB 0.457 33.026 32.500 0.116 0.000 1.005 52 K HN 0.544 nan 8.250 nan 0.000 0.469 53 P HA -0.055 nan 4.420 nan 0.000 0.265 53 P C -0.833 176.517 177.300 0.083 0.000 1.187 53 P CA 0.171 63.228 63.100 -0.072 0.000 0.766 53 P CB 0.225 31.857 31.700 -0.114 0.000 0.820 54 W N 1.567 122.944 121.300 0.129 0.000 2.762 54 W HA 0.724 5.384 4.660 0.000 0.000 0.355 54 W C -0.647 175.947 176.519 0.124 0.000 1.124 54 W CA -0.861 56.575 57.345 0.152 0.000 1.141 54 W CB 0.013 29.628 29.460 0.258 0.000 1.432 54 W HN 0.371 nan 8.180 nan 0.000 0.586 55 S N 0.754 116.682 115.700 0.380 0.000 2.747 55 S HA 0.880 5.350 4.470 0.000 0.000 0.300 55 S C 0.415 175.221 174.600 0.344 0.000 1.121 55 S CA -0.172 58.171 58.200 0.239 0.000 0.995 55 S CB 0.825 64.111 63.200 0.144 0.000 1.113 55 S HN 2.142 nan 8.310 nan 0.000 0.547 56 G N -0.653 108.280 108.800 0.222 0.000 2.752 56 G HA2 -0.099 3.861 3.960 0.000 0.000 0.234 56 G HA3 -0.099 3.861 3.960 0.000 0.000 0.234 56 G C -0.764 174.328 174.900 0.320 0.000 1.367 56 G CA -0.369 44.857 45.100 0.210 0.000 0.879 56 G HN 1.636 nan 8.290 nan 0.000 0.563 57 V N 0.663 120.722 119.914 0.241 0.000 2.370 57 V HA 0.464 4.584 4.120 0.000 0.000 0.283 57 V C 0.482 176.710 176.094 0.223 0.000 1.023 57 V CA -0.609 61.863 62.300 0.287 0.000 0.857 57 V CB 1.655 33.585 31.823 0.177 0.000 0.985 57 V HN 0.723 nan 8.190 nan 0.000 0.443 58 W N 5.230 126.620 121.300 0.149 0.000 2.253 58 W HA 0.187 4.847 4.660 0.000 0.000 0.322 58 W C 0.205 176.720 176.519 -0.007 0.000 1.342 58 W CA -0.243 57.031 57.345 -0.118 0.000 1.218 58 W CB 0.769 30.013 29.460 -0.361 0.000 1.205 58 W HN 0.638 nan 8.180 nan 0.000 0.551 59 N N 4.420 122.928 118.700 -0.320 0.000 2.411 59 N HA 0.243 4.984 4.740 0.000 0.000 0.259 59 N C -0.542 175.019 175.510 0.085 0.000 1.103 59 N CA 0.181 53.167 53.050 -0.107 0.000 0.954 59 N CB 1.080 39.431 38.487 -0.226 0.000 1.085 59 N HN 0.383 nan 8.380 nan 0.000 0.485 60 A N 2.724 125.672 122.820 0.213 0.000 3.041 60 A HA 0.211 4.532 4.320 0.000 0.000 0.307 60 A C 0.906 178.509 177.584 0.032 0.000 1.116 60 A CA -0.384 51.792 52.037 0.232 0.000 1.001 60 A CB -0.465 18.762 19.000 0.378 0.000 1.112 60 A HN 0.638 nan 8.150 nan 0.000 0.556 61 S N -1.071 114.610 115.700 -0.032 0.000 2.523 61 S HA 0.184 4.654 4.470 0.000 0.000 0.217 61 S C 0.762 175.279 174.600 -0.140 0.000 0.996 61 S CA 0.647 58.783 58.200 -0.107 0.000 0.921 61 S CB -0.203 62.944 63.200 -0.089 0.000 0.829 61 S HN 0.793 nan 8.310 nan 0.000 0.495 62 T N -1.274 113.213 114.554 -0.112 0.000 2.901 62 T HA 0.660 5.010 4.350 0.000 0.000 0.293 62 T C -0.909 173.748 174.700 -0.073 0.000 1.084 62 T CA -0.743 61.285 62.100 -0.121 0.000 1.008 62 T CB 0.668 69.492 68.868 -0.073 0.000 1.170 62 T HN 0.053 nan 8.240 nan 0.000 0.509 63 Y N 2.500 122.774 120.300 -0.043 0.000 2.457 63 Y HA 0.381 4.932 4.550 0.000 0.000 0.341 63 Y C -1.374 174.471 175.900 -0.091 0.000 1.240 63 Y CA -1.467 56.611 58.100 -0.038 0.000 1.437 63 Y CB 0.255 38.713 38.460 -0.004 0.000 1.328 63 Y HN 0.543 nan 8.280 nan 0.000 0.588 64 P HA 0.138 nan 4.420 nan 0.000 0.297 64 P C -0.790 176.445 177.300 -0.108 0.000 1.307 64 P CA -0.526 62.472 63.100 -0.170 0.000 0.773 64 P CB 0.979 32.492 31.700 -0.311 0.000 1.265 65 N N -0.058 118.548 118.700 -0.156 0.000 2.467 65 N HA 0.155 4.895 4.740 0.000 0.000 0.262 65 N C -0.018 175.467 175.510 -0.042 0.000 1.234 65 N CA 0.070 53.072 53.050 -0.080 0.000 0.952 65 N CB -0.260 38.188 38.487 -0.066 0.000 1.158 65 N HN 0.384 nan 8.380 nan 0.000 0.463 66 N N -0.784 117.880 118.700 -0.060 0.000 2.492 66 N HA 0.321 5.061 4.740 0.000 0.000 0.289 66 N C -0.432 175.037 175.510 -0.070 0.000 1.133 66 N CA -0.658 52.349 53.050 -0.073 0.000 0.961 66 N CB 1.078 39.498 38.487 -0.112 0.000 1.186 66 N HN 0.390 nan 8.380 nan 0.000 0.493 67 c N 1.156 119.714 118.600 -0.070 0.000 2.700 67 c HA 0.046 4.617 4.570 0.000 0.000 0.397 67 c C 0.605 174.616 174.090 -0.132 0.000 1.301 67 c CA -0.535 55.733 56.329 -0.101 0.000 2.219 67 c CB -0.017 42.454 42.510 -0.065 0.000 2.699 67 c HN 0.533 nan 8.230 nan 0.000 0.669 68 Q N 2.468 122.116 119.800 -0.254 0.000 2.274 68 Q HA 0.220 4.560 4.340 0.000 0.000 0.280 68 Q C -0.112 175.870 176.000 -0.031 0.000 1.047 68 Q CA 0.929 56.583 55.803 -0.248 0.000 0.907 68 Q CB 0.454 28.796 28.738 -0.659 0.000 1.171 68 Q HN 0.863 nan 8.270 nan 0.000 0.381 69 Q N 1.345 121.206 119.800 0.101 0.000 2.575 69 Q HA 0.303 4.643 4.340 0.000 0.000 0.290 69 Q C -1.221 174.965 176.000 0.309 0.000 0.963 69 Q CA -1.042 54.913 55.803 0.252 0.000 0.783 69 Q CB 0.748 29.594 28.738 0.179 0.000 1.467 69 Q HN 0.449 nan 8.270 nan 0.000 0.402 70 Y N 1.170 121.676 120.300 0.343 0.000 2.717 70 Y HA 0.284 4.834 4.550 0.000 0.000 0.330 70 Y C -0.953 175.137 175.900 0.317 0.000 1.217 70 Y CA 0.349 58.675 58.100 0.377 0.000 1.506 70 Y CB 0.751 39.551 38.460 0.567 0.000 1.268 70 Y HN 0.443 nan 8.280 nan 0.000 0.561 71 V N 6.901 126.550 119.914 -0.442 0.000 2.435 71 V HA 0.150 4.270 4.120 0.000 0.000 0.290 71 V C -0.509 175.294 176.094 -0.484 0.000 1.030 71 V CA -0.984 61.146 62.300 -0.284 0.000 0.881 71 V CB 1.531 33.271 31.823 -0.138 0.000 0.983 71 V HN 0.795 nan 8.190 nan 0.000 0.445 72 D N 3.866 124.213 120.400 -0.089 0.000 2.308 72 D HA 0.296 4.937 4.640 0.000 0.000 0.251 72 D C 0.433 176.796 176.300 0.106 0.000 1.127 72 D CA -0.257 53.802 54.000 0.099 0.000 0.876 72 D CB 0.938 41.953 40.800 0.358 0.000 1.176 72 D HN 0.775 nan 8.370 nan 0.000 0.446 73 E N 3.386 123.634 120.200 0.079 0.000 3.843 73 E HA 0.019 4.369 4.350 0.000 0.000 0.189 73 E C 0.444 177.042 176.600 -0.003 0.000 1.013 73 E CA -0.464 55.974 56.400 0.063 0.000 1.395 73 E CB 0.396 30.108 29.700 0.020 0.000 1.136 73 E HN 0.357 nan 8.360 nan 0.000 0.444 74 Q N 0.084 119.852 119.800 -0.053 0.000 2.123 74 Q HA 0.043 4.384 4.340 0.000 0.000 0.199 74 Q C -0.246 175.346 176.000 -0.681 0.000 0.966 74 Q CA 1.039 56.578 55.803 -0.439 0.000 0.845 74 Q CB 0.128 28.450 28.738 -0.693 0.000 0.907 74 Q HN 0.339 nan 8.270 nan 0.000 0.439 75 F N 0.707 120.749 119.950 0.153 0.000 2.523 75 F HA 0.368 4.895 4.527 0.000 0.000 0.322 75 F C -2.132 173.763 175.800 0.158 0.000 1.361 75 F CA -2.952 55.125 58.000 0.130 0.000 1.151 75 F CB 0.893 39.983 39.000 0.150 0.000 1.391 75 F HN -0.161 nan 8.300 nan 0.000 0.566 76 P HA 0.109 nan 4.420 nan 0.000 0.258 76 P C 1.065 178.454 177.300 0.148 0.000 1.172 76 P CA 1.476 64.659 63.100 0.139 0.000 0.762 76 P CB 0.542 32.289 31.700 0.079 0.000 0.764 77 G N 3.111 111.980 108.800 0.115 0.000 2.320 77 G HA2 -0.310 3.650 3.960 0.000 0.000 0.242 77 G HA3 -0.310 3.650 3.960 0.000 0.000 0.242 77 G C 0.127 175.073 174.900 0.078 0.000 1.033 77 G CA -0.362 44.783 45.100 0.075 0.000 0.620 77 G HN 0.540 nan 8.290 nan 0.000 0.517 78 F N 3.468 123.415 119.950 -0.005 0.000 2.578 78 F HA 0.439 4.966 4.527 0.000 0.000 0.381 78 F C 1.774 177.500 175.800 -0.124 0.000 1.069 78 F CA 0.214 58.155 58.000 -0.099 0.000 1.231 78 F CB 1.112 40.036 39.000 -0.126 0.000 1.086 78 F HN 0.335 nan 8.300 nan 0.000 0.564 79 S N 3.115 118.235 115.700 -0.966 0.000 2.447 79 S HA -0.045 4.425 4.470 0.000 0.000 0.233 79 S C 2.033 176.139 174.600 -0.824 0.000 1.006 79 S CA 0.712 58.469 58.200 -0.739 0.000 0.957 79 S CB -0.827 62.038 63.200 -0.558 0.000 0.773 79 S HN 0.806 nan 8.310 nan 0.000 0.507 80 G N 1.164 108.996 108.800 -1.614 0.000 2.572 80 G HA2 0.028 3.988 3.960 0.000 0.000 0.216 80 G HA3 0.028 3.988 3.960 0.000 0.000 0.216 80 G C 1.557 176.626 174.900 0.281 0.000 1.133 80 G CA 0.808 45.385 45.100 -0.872 0.000 0.791 80 G HN 0.750 nan 8.290 nan 0.000 0.538 81 S N -0.362 115.503 115.700 0.276 0.000 2.545 81 S HA 0.152 4.622 4.470 0.000 0.000 0.232 81 S C 1.727 176.612 174.600 0.475 0.000 1.070 81 S CA 0.527 59.230 58.200 0.839 0.000 0.923 81 S CB 0.175 63.977 63.200 1.005 0.000 0.806 81 S HN 0.238 nan 8.310 nan 0.000 0.506 82 E N 2.154 122.454 120.200 0.168 0.000 2.204 82 E HA -0.026 4.324 4.350 0.000 0.000 0.194 82 E C 2.056 178.607 176.600 -0.081 0.000 0.989 82 E CA 1.302 57.733 56.400 0.053 0.000 0.824 82 E CB -0.461 29.226 29.700 -0.021 0.000 0.756 82 E HN 0.820 nan 8.360 nan 0.000 0.477 83 M N -1.967 117.484 119.600 -0.248 0.000 2.629 83 M HA -0.065 4.415 4.480 0.000 0.000 0.257 83 M C 0.727 176.636 176.300 -0.652 0.000 1.071 83 M CA 1.235 56.227 55.300 -0.515 0.000 1.077 83 M CB -0.246 31.923 32.600 -0.718 0.000 1.423 83 M HN 0.054 nan 8.290 nan 0.000 0.508 84 W N 0.517 121.787 121.300 -0.050 0.000 2.993 84 W HA 0.296 4.956 4.660 0.000 0.000 0.290 84 W C 0.415 176.881 176.519 -0.088 0.000 1.203 84 W CA -0.884 56.414 57.345 -0.080 0.000 1.582 84 W CB 0.128 29.598 29.460 0.017 0.000 1.033 84 W HN 0.091 nan 8.180 nan 0.000 0.594 85 N N 1.433 120.198 118.700 0.110 0.000 2.467 85 N HA 0.157 4.898 4.740 0.000 0.000 0.262 85 N C -2.517 172.966 175.510 -0.045 0.000 1.234 85 N CA -1.490 51.589 53.050 0.049 0.000 0.952 85 N CB -0.082 38.434 38.487 0.049 0.000 1.158 85 N HN -0.389 nan 8.380 nan 0.000 0.463 86 P HA 0.012 nan 4.420 nan 0.000 0.260 86 P C 0.047 177.292 177.300 -0.091 0.000 1.185 86 P CA 0.161 63.207 63.100 -0.089 0.000 0.763 86 P CB 0.115 31.775 31.700 -0.066 0.000 0.776 87 N N 3.090 121.718 118.700 -0.120 0.000 2.321 87 N HA 0.100 4.840 4.740 0.000 0.000 0.242 87 N C 0.119 175.582 175.510 -0.079 0.000 1.141 87 N CA -0.124 52.865 53.050 -0.101 0.000 0.864 87 N CB 0.293 38.705 38.487 -0.125 0.000 1.100 87 N HN 0.156 nan 8.380 nan 0.000 0.510 88 R N -0.164 120.290 120.500 -0.077 0.000 2.781 88 R HA 0.337 4.677 4.340 0.000 0.000 0.269 88 R C -0.516 175.750 176.300 -0.057 0.000 1.025 88 R CA -0.630 55.435 56.100 -0.057 0.000 0.914 88 R CB 1.077 31.339 30.300 -0.062 0.000 1.236 88 R HN 0.201 nan 8.270 nan 0.000 0.465 89 E N 1.086 121.256 120.200 -0.050 0.000 2.404 89 E HA 0.142 4.492 4.350 0.000 0.000 0.261 89 E C -0.190 176.376 176.600 -0.057 0.000 1.074 89 E CA 0.150 56.521 56.400 -0.049 0.000 0.917 89 E CB 0.705 30.378 29.700 -0.045 0.000 0.965 89 E HN 0.191 nan 8.360 nan 0.000 0.433 90 M N 1.890 121.456 119.600 -0.056 0.000 2.264 90 M HA 0.243 4.723 4.480 0.000 0.000 0.352 90 M C -0.231 176.021 176.300 -0.079 0.000 1.173 90 M CA -0.036 55.222 55.300 -0.069 0.000 1.075 90 M CB 1.628 34.189 32.600 -0.065 0.000 1.621 90 M HN 0.297 nan 8.290 nan 0.000 0.457 91 S N 1.163 116.806 115.700 -0.095 0.000 2.550 91 S HA 0.285 4.755 4.470 0.000 0.000 0.270 91 S C 0.159 174.671 174.600 -0.147 0.000 1.145 91 S CA -0.677 57.462 58.200 -0.102 0.000 0.852 91 S CB 1.652 64.818 63.200 -0.057 0.000 1.119 91 S HN 0.830 nan 8.310 nan 0.000 0.465 92 E N 0.779 120.870 120.200 -0.181 0.000 2.347 92 E HA -0.067 4.283 4.350 0.000 0.000 0.196 92 E C -0.374 176.150 176.600 -0.126 0.000 1.008 92 E CA 0.535 56.796 56.400 -0.231 0.000 0.852 92 E CB 0.100 29.660 29.700 -0.234 0.000 0.783 92 E HN 0.537 nan 8.360 nan 0.000 0.505 93 D N 0.189 120.556 120.400 -0.055 0.000 2.517 93 D HA -0.005 4.636 4.640 0.000 0.000 0.220 93 D C 0.086 176.476 176.300 0.151 0.000 1.158 93 D CA -0.256 53.760 54.000 0.026 0.000 0.992 93 D CB -0.092 40.748 40.800 0.067 0.000 1.058 93 D HN 0.133 nan 8.370 nan 0.000 0.516 94 c N 2.061 120.710 118.600 0.082 0.000 3.785 94 c HA 0.385 4.955 4.570 0.000 0.000 0.312 94 c C 0.762 174.919 174.090 0.111 0.000 1.566 94 c CA -0.674 55.765 56.329 0.184 0.000 1.837 94 c CB -1.286 41.251 42.510 0.044 0.000 2.826 94 c HN 0.401 nan 8.230 nan 0.000 0.667 95 L N 2.591 123.616 121.223 -0.330 0.000 2.415 95 L HA 0.364 4.704 4.340 0.000 0.000 0.269 95 L C -0.774 175.307 176.870 -1.315 0.000 1.244 95 L CA 0.605 54.994 54.840 -0.751 0.000 1.113 95 L CB -0.775 40.713 42.059 -0.951 0.000 1.352 95 L HN 0.385 nan 8.230 nan 0.000 0.433 96 Y N 2.088 122.223 120.300 -0.274 0.000 2.634 96 Y HA 0.704 5.254 4.550 0.000 0.000 0.340 96 Y C -0.114 175.942 175.900 0.260 0.000 1.058 96 Y CA -1.274 56.761 58.100 -0.108 0.000 1.081 96 Y CB 1.844 40.261 38.460 -0.072 0.000 1.295 96 Y HN 0.191 nan 8.280 nan 0.000 0.487 97 L N -0.309 121.094 121.223 0.300 0.000 2.359 97 L HA 0.776 5.116 4.340 0.000 0.000 0.256 97 L C -1.499 175.426 176.870 0.092 0.000 1.026 97 L CA -1.230 53.725 54.840 0.192 0.000 0.828 97 L CB 1.953 44.023 42.059 0.020 0.000 1.406 97 L HN 0.513 nan 8.230 nan 0.000 0.413 98 N N 1.397 120.159 118.700 0.103 0.000 2.238 98 N HA 0.754 5.494 4.740 0.000 0.000 0.302 98 N C -1.352 174.105 175.510 -0.088 0.000 1.072 98 N CA -0.255 52.768 53.050 -0.044 0.000 0.792 98 N CB 2.767 41.238 38.487 -0.027 0.000 1.425 98 N HN 0.696 nan 8.380 nan 0.000 0.478 99 I N 0.050 120.472 120.570 -0.248 0.000 2.533 99 I HA 0.428 4.598 4.170 0.000 0.000 0.290 99 I C -0.864 175.187 176.117 -0.110 0.000 1.056 99 I CA -0.716 60.553 61.300 -0.051 0.000 1.057 99 I CB 2.409 40.348 38.000 -0.103 0.000 1.240 99 I HN 0.232 nan 8.210 nan 0.000 0.423 100 W N 5.403 126.848 121.300 0.242 0.000 2.532 100 W HA 0.609 5.269 4.660 0.000 0.000 0.321 100 W C -1.082 175.588 176.519 0.250 0.000 1.037 100 W CA -0.703 56.773 57.345 0.219 0.000 1.220 100 W CB 2.295 31.852 29.460 0.163 0.000 1.361 100 W HN 0.092 nan 8.180 nan 0.000 0.468 101 V N 4.355 124.541 119.914 0.454 0.000 2.540 101 V HA 0.302 4.422 4.120 0.000 0.000 0.302 101 V C -2.110 174.177 176.094 0.323 0.000 1.035 101 V CA -2.505 60.034 62.300 0.399 0.000 0.873 101 V CB 1.936 34.062 31.823 0.507 0.000 0.992 101 V HN 0.255 nan 8.190 nan 0.000 0.428 102 P HA 0.114 nan 4.420 nan 0.000 0.267 102 P C -0.508 176.912 177.300 0.199 0.000 1.200 102 P CA 0.285 63.512 63.100 0.211 0.000 0.772 102 P CB 0.554 32.335 31.700 0.136 0.000 0.855 103 S N 2.170 117.987 115.700 0.196 0.000 2.498 103 S HA 0.534 5.004 4.470 0.000 0.000 0.317 103 S C -2.320 172.364 174.600 0.140 0.000 1.090 103 S CA -1.543 56.758 58.200 0.168 0.000 1.089 103 S CB 0.051 63.356 63.200 0.175 0.000 0.997 103 S HN 0.281 nan 8.310 nan 0.000 0.470 104 P HA 0.212 nan 4.420 nan 0.000 0.274 104 P C -0.600 176.766 177.300 0.110 0.000 1.231 104 P CA -0.656 62.506 63.100 0.103 0.000 0.790 104 P CB 0.452 32.198 31.700 0.078 0.000 0.951 105 R N 2.408 122.981 120.500 0.121 0.000 2.488 105 R HA 0.076 4.416 4.340 0.000 0.000 0.317 105 R C -1.817 174.542 176.300 0.098 0.000 0.941 105 R CA -0.842 55.337 56.100 0.131 0.000 1.076 105 R CB -0.675 29.705 30.300 0.134 0.000 0.917 105 R HN 0.361 nan 8.270 nan 0.000 0.407 106 P HA -0.030 nan 4.420 nan 0.000 0.269 106 P C 0.038 177.373 177.300 0.057 0.000 1.217 106 P CA -0.221 62.921 63.100 0.071 0.000 0.783 106 P CB 0.681 32.426 31.700 0.075 0.000 0.898 107 K N 0.027 120.449 120.400 0.037 0.000 2.021 107 K HA 0.048 4.368 4.320 0.000 0.000 0.205 107 K C 0.657 177.266 176.600 0.014 0.000 1.047 107 K CA 1.294 57.595 56.287 0.024 0.000 0.943 107 K CB -0.242 32.267 32.500 0.014 0.000 0.725 107 K HN 0.308 nan 8.250 nan 0.000 0.439 108 S N 1.008 116.715 115.700 0.011 0.000 2.708 108 S HA 0.096 4.566 4.470 0.000 0.000 0.141 108 S C -0.753 173.849 174.600 0.003 0.000 1.349 108 S CA -0.309 57.889 58.200 -0.002 0.000 1.206 108 S CB 0.432 63.619 63.200 -0.021 0.000 1.603 108 S HN 0.161 nan 8.310 nan 0.000 0.415 109 T N 1.663 116.230 114.554 0.022 0.000 2.847 109 T HA 0.450 4.800 4.350 0.000 0.000 0.279 109 T C 0.371 175.083 174.700 0.020 0.000 0.984 109 T CA 0.144 62.257 62.100 0.022 0.000 0.988 109 T CB 0.840 69.730 68.868 0.037 0.000 1.040 109 T HN 0.408 nan 8.240 nan 0.000 0.528 110 T N 2.460 117.020 114.554 0.010 0.000 2.908 110 T HA 0.273 4.623 4.350 0.000 0.000 0.301 110 T C -0.301 174.419 174.700 0.033 0.000 1.019 110 T CA -0.164 61.938 62.100 0.004 0.000 1.152 110 T CB 0.115 68.970 68.868 -0.022 0.000 0.966 110 T HN 0.387 nan 8.240 nan 0.000 0.540 111 V N 5.605 125.545 119.914 0.043 0.000 2.483 111 V HA 0.503 4.623 4.120 0.000 0.000 0.295 111 V C 0.050 176.202 176.094 0.096 0.000 1.035 111 V CA -0.723 61.629 62.300 0.085 0.000 0.896 111 V CB 1.605 33.482 31.823 0.091 0.000 0.986 111 V HN 0.834 nan 8.190 nan 0.000 0.447 112 M N 4.386 124.073 119.600 0.146 0.000 2.253 112 M HA 0.544 5.024 4.480 0.000 0.000 0.314 112 M C -1.246 175.310 176.300 0.425 0.000 1.019 112 M CA -0.600 54.809 55.300 0.182 0.000 0.932 112 M CB 2.275 34.863 32.600 -0.020 0.000 1.606 112 M HN 0.376 nan 8.290 nan 0.000 0.430 113 V N 3.195 123.401 119.914 0.486 0.000 2.347 113 V HA 0.290 4.411 4.120 0.000 0.000 0.280 113 V C -0.720 175.679 176.094 0.509 0.000 1.021 113 V CA -0.625 61.937 62.300 0.438 0.000 0.847 113 V CB 1.224 33.170 31.823 0.204 0.000 0.990 113 V HN 0.861 nan 8.190 nan 0.000 0.444 114 W N 6.975 128.357 121.300 0.137 0.000 2.287 114 W HA 0.577 5.237 4.660 0.000 0.000 0.313 114 W C -1.171 175.224 176.519 -0.207 0.000 1.267 114 W CA -0.666 56.476 57.345 -0.339 0.000 1.201 114 W CB 0.985 30.325 29.460 -0.201 0.000 1.196 114 W HN 0.444 nan 8.180 nan 0.000 0.536 115 I N 9.384 129.274 120.570 -1.133 0.000 2.420 115 I HA 0.052 4.222 4.170 0.000 0.000 0.282 115 I C -0.212 175.068 176.117 -1.395 0.000 1.019 115 I CA -1.118 59.592 61.300 -0.983 0.000 1.130 115 I CB 0.552 38.170 38.000 -0.638 0.000 1.262 115 I HN 0.311 nan 8.210 nan 0.000 0.454 116 Y N 4.714 124.469 120.300 -0.907 0.000 2.550 116 Y HA 0.584 5.134 4.550 0.000 0.000 0.343 116 Y C 0.740 176.493 175.900 -0.245 0.000 1.245 116 Y CA -0.603 57.150 58.100 -0.578 0.000 1.462 116 Y CB -0.039 38.373 38.460 -0.080 0.000 1.340 116 Y HN 0.514 nan 8.280 nan 0.000 0.604 117 G N -0.682 108.165 108.800 0.078 0.000 2.857 117 G HA2 0.509 4.469 3.960 0.000 0.000 0.217 117 G HA3 0.509 4.469 3.960 0.000 0.000 0.217 117 G C 0.247 175.133 174.900 -0.023 0.000 1.357 117 G CA -0.963 44.104 45.100 -0.054 0.000 1.033 117 G HN 1.721 nan 8.290 nan 0.000 0.571 118 G N -2.698 105.917 108.800 -0.307 0.000 2.192 118 G HA2 0.410 4.370 3.960 0.000 0.000 0.152 118 G HA3 0.410 4.370 3.960 0.000 0.000 0.152 118 G C 1.039 175.421 174.900 -0.864 0.000 1.057 118 G CA 0.722 45.524 45.100 -0.496 0.000 0.748 118 G HN 2.318 nan 8.290 nan 0.000 0.488 119 G N -0.505 107.782 108.800 -0.854 0.000 2.203 119 G HA2 -0.117 3.843 3.960 0.000 0.000 0.263 119 G HA3 -0.117 3.843 3.960 0.000 0.000 0.263 119 G C 0.927 175.547 174.900 -0.465 0.000 1.012 119 G CA 0.823 45.294 45.100 -1.049 0.000 0.749 119 G HN 1.772 nan 8.290 nan 0.000 0.512 120 F N -3.474 116.395 119.950 -0.136 0.000 2.825 120 F HA -0.306 4.221 4.527 0.000 0.000 0.358 120 F C 1.446 177.351 175.800 0.175 0.000 0.639 120 F CA 2.120 60.158 58.000 0.063 0.000 1.153 120 F CB -2.079 36.816 39.000 -0.176 0.000 1.610 120 F HN 0.954 nan 8.300 nan 0.000 0.305 121 Y N -0.771 119.607 120.300 0.131 0.000 2.500 121 Y HA 0.675 5.225 4.550 0.000 0.000 0.246 121 Y C 0.526 176.519 175.900 0.154 0.000 1.146 121 Y CA 0.097 58.288 58.100 0.153 0.000 1.230 121 Y CB 0.028 38.486 38.460 -0.003 0.000 1.214 121 Y HN 0.143 nan 8.280 nan 0.000 0.526 122 S N -0.877 114.628 115.700 -0.324 0.000 2.661 122 S HA 0.853 5.323 4.470 0.000 0.000 0.268 122 S C -0.333 174.142 174.600 -0.208 0.000 1.162 122 S CA -0.424 57.644 58.200 -0.219 0.000 0.817 122 S CB 1.331 64.365 63.200 -0.278 0.000 1.141 122 S HN 1.385 nan 8.310 nan 0.000 0.477 123 G N -0.139 108.516 108.800 -0.241 0.000 2.402 123 G HA2 0.442 4.402 3.960 0.000 0.000 0.666 123 G HA3 0.442 4.402 3.960 0.000 0.000 0.666 123 G C -1.009 173.300 174.900 -0.985 0.000 1.402 123 G CA -0.266 44.549 45.100 -0.475 0.000 0.920 123 G HN 1.467 nan 8.290 nan 0.000 0.651 124 S N -0.931 114.177 115.700 -0.986 0.000 2.564 124 S HA 0.732 5.202 4.470 0.000 0.000 0.274 124 S C 0.973 175.356 174.600 -0.361 0.000 1.124 124 S CA 0.045 57.812 58.200 -0.721 0.000 0.869 124 S CB 1.842 64.847 63.200 -0.324 0.000 1.105 124 S HN 1.922 nan 8.310 nan 0.000 0.472 125 S N -0.346 115.343 115.700 -0.018 0.000 2.528 125 S HA -0.038 4.432 4.470 0.000 0.000 0.219 125 S C 1.322 176.013 174.600 0.151 0.000 0.985 125 S CA 0.741 59.156 58.200 0.359 0.000 0.914 125 S CB -0.627 62.835 63.200 0.436 0.000 0.776 125 S HN 0.844 nan 8.310 nan 0.000 0.526 126 T N 0.477 114.904 114.554 -0.213 0.000 3.144 126 T HA 0.409 4.759 4.350 0.000 0.000 0.249 126 T C 0.485 174.875 174.700 -0.516 0.000 1.089 126 T CA -0.537 61.101 62.100 -0.770 0.000 0.989 126 T CB -0.638 67.662 68.868 -0.948 0.000 0.992 126 T HN 0.311 nan 8.240 nan 0.000 0.540 127 L N 1.868 122.888 121.223 -0.338 0.000 2.483 127 L HA 0.177 4.517 4.340 0.000 0.000 0.276 127 L C 1.305 177.930 176.870 -0.408 0.000 1.213 127 L CA -0.580 53.984 54.840 -0.460 0.000 0.843 127 L CB 0.330 41.906 42.059 -0.806 0.000 1.107 127 L HN 0.051 nan 8.230 nan 0.000 0.487 128 D N 1.087 121.273 120.400 -0.357 0.000 2.149 128 D HA -0.152 4.489 4.640 0.000 0.000 0.198 128 D C 1.991 178.088 176.300 -0.338 0.000 0.990 128 D CA 1.401 55.251 54.000 -0.250 0.000 0.839 128 D CB -0.137 40.532 40.800 -0.218 0.000 0.948 128 D HN 0.532 nan 8.370 nan 0.000 0.460 129 V N -1.424 118.146 119.914 -0.574 0.000 3.078 129 V HA -0.155 3.965 4.120 0.000 0.000 0.265 129 V C 1.037 176.679 176.094 -0.754 0.000 1.122 129 V CA 1.052 62.984 62.300 -0.613 0.000 1.141 129 V CB -1.141 30.246 31.823 -0.727 0.000 0.735 129 V HN 0.077 nan 8.190 nan 0.000 0.498 130 Y N 0.128 119.964 120.300 -0.773 0.000 2.607 130 Y HA 0.445 4.995 4.550 0.000 0.000 0.266 130 Y C 1.025 176.537 175.900 -0.646 0.000 1.178 130 Y CA -1.939 55.390 58.100 -1.285 0.000 1.226 130 Y CB -1.074 36.925 38.460 -0.769 0.000 1.144 130 Y HN 0.245 nan 8.280 nan 0.000 0.528 131 N N 1.670 120.240 118.700 -0.217 0.000 2.414 131 N HA -0.036 4.704 4.740 0.000 0.000 0.268 131 N C 1.226 176.486 175.510 -0.417 0.000 1.286 131 N CA 0.780 53.742 53.050 -0.147 0.000 0.896 131 N CB 1.198 39.693 38.487 0.013 0.000 1.093 131 N HN 0.519 nan 8.380 nan 0.000 0.480 132 G N 3.264 111.206 108.800 -1.430 0.000 3.042 132 G HA2 -0.119 3.841 3.960 0.000 0.000 0.212 132 G HA3 -0.119 3.841 3.960 0.000 0.000 0.212 132 G C 1.392 175.631 174.900 -1.102 0.000 1.166 132 G CA 0.095 44.458 45.100 -1.228 0.000 0.767 132 G HN 0.756 nan 8.290 nan 0.000 0.546 133 K N -0.271 119.389 120.400 -1.233 0.000 2.057 133 K HA -0.123 4.197 4.320 0.000 0.000 0.206 133 K C 1.728 178.136 176.600 -0.320 0.000 1.050 133 K CA 1.022 56.943 56.287 -0.609 0.000 0.935 133 K CB -0.579 31.637 32.500 -0.474 0.000 0.715 133 K HN 0.355 nan 8.250 nan 0.000 0.439 134 Y N 1.289 121.522 120.300 -0.111 0.000 2.145 134 Y HA -0.186 4.364 4.550 0.000 0.000 0.286 134 Y C 2.457 178.375 175.900 0.030 0.000 1.145 134 Y CA 0.857 58.945 58.100 -0.019 0.000 1.148 134 Y CB -0.422 37.999 38.460 -0.066 0.000 0.981 134 Y HN 0.050 nan 8.280 nan 0.000 0.507 135 L N 0.269 121.548 121.223 0.094 0.000 2.072 135 L HA -0.005 4.336 4.340 0.000 0.000 0.205 135 L C 2.400 179.298 176.870 0.046 0.000 1.079 135 L CA 1.799 56.649 54.840 0.017 0.000 0.752 135 L CB -1.090 40.901 42.059 -0.114 0.000 0.906 135 L HN 0.124 nan 8.230 nan 0.000 0.436 136 A N -1.111 121.749 122.820 0.067 0.000 1.908 136 A HA -0.305 4.015 4.320 0.000 0.000 0.218 136 A C 2.310 179.979 177.584 0.141 0.000 1.181 136 A CA 2.060 54.181 52.037 0.140 0.000 0.627 136 A CB -1.266 17.887 19.000 0.254 0.000 0.818 136 A HN 0.662 nan 8.150 nan 0.000 0.445 137 Y N 0.936 121.265 120.300 0.048 0.000 2.070 137 Y HA -0.199 4.352 4.550 0.000 0.000 0.279 137 Y C 2.745 178.674 175.900 0.049 0.000 1.134 137 Y CA 2.608 60.738 58.100 0.050 0.000 1.113 137 Y CB -0.701 37.773 38.460 0.023 0.000 0.981 137 Y HN 0.292 nan 8.280 nan 0.000 0.487 138 T N 0.434 115.011 114.554 0.039 0.000 2.746 138 T HA -0.149 4.202 4.350 0.000 0.000 0.267 138 T C 1.286 175.943 174.700 -0.072 0.000 1.039 138 T CA 1.733 63.805 62.100 -0.046 0.000 1.142 138 T CB -0.164 68.773 68.868 0.115 0.000 0.866 138 T HN 0.339 nan 8.240 nan 0.000 0.444 139 E N 0.368 120.554 120.200 -0.024 0.000 2.463 139 E HA 0.137 4.487 4.350 0.000 0.000 0.193 139 E C 0.331 176.915 176.600 -0.026 0.000 1.041 139 E CA 0.026 56.417 56.400 -0.015 0.000 0.879 139 E CB 0.169 29.854 29.700 -0.025 0.000 0.997 139 E HN 0.455 nan 8.360 nan 0.000 0.478 140 E N 0.105 120.280 120.200 -0.042 0.000 2.320 140 E HA -0.170 4.180 4.350 0.000 0.000 0.234 140 E C -0.761 175.853 176.600 0.023 0.000 1.183 140 E CA 0.477 56.866 56.400 -0.018 0.000 0.713 140 E CB -1.592 28.093 29.700 -0.025 0.000 1.226 140 E HN 0.139 nan 8.360 nan 0.000 0.382 141 V N -2.942 117.001 119.914 0.048 0.000 2.960 141 V HA 0.793 4.914 4.120 0.000 0.000 0.315 141 V C 0.424 176.598 176.094 0.132 0.000 1.087 141 V CA -0.949 61.392 62.300 0.068 0.000 0.982 141 V CB 2.309 34.157 31.823 0.042 0.000 1.039 141 V HN -0.029 nan 8.190 nan 0.000 0.437 142 V N 3.417 123.420 119.914 0.148 0.000 2.385 142 V HA 0.405 4.525 4.120 0.000 0.000 0.269 142 V C -0.121 176.119 176.094 0.243 0.000 1.043 142 V CA -0.094 62.333 62.300 0.212 0.000 0.906 142 V CB 1.006 32.940 31.823 0.186 0.000 0.995 142 V HN 0.779 nan 8.190 nan 0.000 0.467 143 L N 7.025 128.455 121.223 0.345 0.000 2.287 143 L HA 0.656 4.996 4.340 0.000 0.000 0.287 143 L C -0.549 176.653 176.870 0.552 0.000 1.022 143 L CA 0.027 55.122 54.840 0.424 0.000 0.814 143 L CB 1.580 43.880 42.059 0.402 0.000 1.217 143 L HN 0.432 nan 8.230 nan 0.000 0.420 144 V N 3.481 123.677 119.914 0.470 0.000 2.495 144 V HA 0.591 4.711 4.120 0.000 0.000 0.298 144 V C -0.313 176.077 176.094 0.494 0.000 1.031 144 V CA -0.526 62.023 62.300 0.414 0.000 0.871 144 V CB 1.875 33.850 31.823 0.253 0.000 0.988 144 V HN 0.855 nan 8.190 nan 0.000 0.432 145 S N 5.292 121.305 115.700 0.522 0.000 2.498 145 S HA 0.827 5.298 4.470 0.000 0.000 0.317 145 S C -0.653 174.153 174.600 0.343 0.000 1.090 145 S CA -0.798 57.718 58.200 0.526 0.000 1.089 145 S CB 1.505 65.123 63.200 0.696 0.000 0.997 145 S HN 0.598 nan 8.310 nan 0.000 0.470 146 L N 0.773 122.127 121.223 0.219 0.000 2.578 146 L HA 0.988 5.328 4.340 0.000 0.000 0.259 146 L C 0.174 177.215 176.870 0.284 0.000 1.082 146 L CA -0.744 54.185 54.840 0.148 0.000 0.843 146 L CB -0.028 41.977 42.059 -0.090 0.000 1.535 146 L HN 0.818 nan 8.230 nan 0.000 0.510 147 S N -1.909 114.015 115.700 0.373 0.000 2.651 147 S HA 0.891 5.361 4.470 0.000 0.000 0.279 147 S C -1.333 173.539 174.600 0.453 0.000 1.148 147 S CA -0.563 57.909 58.200 0.454 0.000 0.837 147 S CB 1.555 65.044 63.200 0.482 0.000 1.138 147 S HN 1.118 nan 8.310 nan 0.000 0.478 148 Y N -1.807 118.624 120.300 0.219 0.000 2.592 148 Y HA 0.701 5.251 4.550 0.000 0.000 0.334 148 Y C -0.757 175.276 175.900 0.222 0.000 1.136 148 Y CA -1.409 56.798 58.100 0.177 0.000 1.042 148 Y CB 0.649 39.158 38.460 0.081 0.000 1.325 148 Y HN 0.764 nan 8.280 nan 0.000 0.457 149 R N 1.632 122.231 120.500 0.164 0.000 2.643 149 R HA 0.570 4.910 4.340 0.000 0.000 0.270 149 R C -0.233 176.183 176.300 0.192 0.000 1.061 149 R CA -0.136 56.021 56.100 0.096 0.000 1.107 149 R CB 0.997 31.331 30.300 0.057 0.000 0.999 149 R HN 0.725 nan 8.270 nan 0.000 0.460 150 V N -0.873 119.192 119.914 0.252 0.000 3.164 150 V HA 0.899 5.019 4.120 0.000 0.000 0.313 150 V C 0.560 176.962 176.094 0.513 0.000 1.188 150 V CA -0.163 62.411 62.300 0.457 0.000 1.058 150 V CB 1.143 33.139 31.823 0.289 0.000 1.110 150 V HN 0.981 nan 8.190 nan 0.000 0.453 151 G N 0.187 109.336 108.800 0.582 0.000 2.641 151 G HA2 0.075 4.035 3.960 0.000 0.000 0.254 151 G HA3 0.075 4.035 3.960 0.000 0.000 0.254 151 G C 0.986 176.091 174.900 0.342 0.000 1.315 151 G CA 0.918 46.322 45.100 0.507 0.000 0.907 151 G HN 2.286 nan 8.290 nan 0.000 0.572 152 A N -1.312 121.448 122.820 -0.100 0.000 1.978 152 A HA 0.177 4.497 4.320 0.000 0.000 0.220 152 A C 2.227 179.682 177.584 -0.215 0.000 1.170 152 A CA 2.574 54.175 52.037 -0.727 0.000 0.636 152 A CB -0.539 17.807 19.000 -1.089 0.000 0.810 152 A HN 1.018 nan 8.150 nan 0.000 0.448 153 F N 0.034 120.038 119.950 0.090 0.000 2.192 153 F HA -0.086 4.441 4.527 0.000 0.000 0.301 153 F C 2.416 178.214 175.800 -0.003 0.000 1.079 153 F CA 1.298 59.324 58.000 0.044 0.000 1.303 153 F CB -0.623 38.357 39.000 -0.032 0.000 1.024 153 F HN 0.299 nan 8.300 nan 0.000 0.494 154 G N -2.690 106.164 108.800 0.092 0.000 2.939 154 G HA2 0.092 4.053 3.960 0.000 0.000 0.216 154 G HA3 0.092 4.053 3.960 0.000 0.000 0.216 154 G C 0.730 175.069 174.900 -0.936 0.000 1.125 154 G CA 0.062 44.944 45.100 -0.362 0.000 0.766 154 G HN 0.323 nan 8.290 nan 0.000 0.541 155 F N -0.445 119.577 119.950 0.121 0.000 2.838 155 F HA 0.431 4.958 4.527 0.000 0.000 0.329 155 F C 0.362 176.180 175.800 0.031 0.000 1.116 155 F CA -1.047 56.998 58.000 0.076 0.000 1.155 155 F CB 0.412 39.484 39.000 0.120 0.000 1.106 155 F HN -0.094 nan 8.300 nan 0.000 0.538 156 L N 2.293 123.460 121.223 -0.095 0.000 2.584 156 L HA 0.426 4.766 4.340 0.000 0.000 0.272 156 L C 0.162 176.954 176.870 -0.129 0.000 1.195 156 L CA 0.220 54.869 54.840 -0.319 0.000 0.920 156 L CB 0.102 41.670 42.059 -0.817 0.000 1.173 156 L HN 0.157 nan 8.230 nan 0.000 0.489 157 A N 6.840 129.654 122.820 -0.010 0.000 2.335 157 A HA 0.687 5.007 4.320 0.000 0.000 0.304 157 A C -0.835 176.754 177.584 0.010 0.000 1.118 157 A CA -0.502 51.546 52.037 0.018 0.000 0.757 157 A CB 0.783 19.829 19.000 0.078 0.000 1.188 157 A HN 0.710 nan 8.150 nan 0.000 0.460 158 L N 3.503 124.728 121.223 0.003 0.000 2.495 158 L HA 0.229 4.569 4.340 0.000 0.000 0.248 158 L C -0.170 176.737 176.870 0.063 0.000 1.229 158 L CA -0.706 54.142 54.840 0.012 0.000 0.942 158 L CB 0.563 42.595 42.059 -0.044 0.000 1.242 158 L HN 0.915 nan 8.230 nan 0.000 0.484 159 H N 1.510 120.578 119.070 -0.003 0.000 3.064 159 H HA 0.309 4.866 4.556 0.000 0.000 0.329 159 H C 1.059 176.391 175.328 0.007 0.000 1.020 159 H CA 1.697 57.751 56.048 0.009 0.000 1.402 159 H CB 0.920 30.692 29.762 0.017 0.000 1.379 159 H HN 0.674 nan 8.280 nan 0.000 0.594 160 G N 2.574 111.102 108.800 -0.454 0.000 2.784 160 G HA2 -0.281 3.680 3.960 0.000 0.000 0.204 160 G HA3 -0.281 3.680 3.960 0.000 0.000 0.204 160 G C 0.610 175.418 174.900 -0.154 0.000 1.300 160 G CA 0.127 45.036 45.100 -0.318 0.000 0.863 160 G HN 0.887 nan 8.290 nan 0.000 0.541 161 S N 0.290 115.943 115.700 -0.079 0.000 2.560 161 S HA 0.406 4.877 4.470 0.000 0.000 0.276 161 S C 0.992 175.580 174.600 -0.020 0.000 1.350 161 S CA 1.180 59.359 58.200 -0.034 0.000 1.024 161 S CB 0.980 64.170 63.200 -0.017 0.000 0.864 161 S HN 0.413 nan 8.310 nan 0.000 0.536 162 Q N 0.778 120.578 119.800 -0.001 0.000 2.164 162 Q HA 0.255 4.595 4.340 0.000 0.000 0.226 162 Q C 0.828 176.846 176.000 0.030 0.000 0.813 162 Q CA -0.043 55.768 55.803 0.013 0.000 0.978 162 Q CB 0.554 29.297 28.738 0.009 0.000 1.149 162 Q HN 0.667 nan 8.270 nan 0.000 0.489 163 E N 0.028 120.249 120.200 0.035 0.000 2.276 163 E HA 0.184 4.535 4.350 0.000 0.000 0.193 163 E C 0.004 176.658 176.600 0.091 0.000 0.983 163 E CA 0.370 56.806 56.400 0.060 0.000 0.861 163 E CB 0.863 30.600 29.700 0.062 0.000 0.817 163 E HN 0.094 nan 8.360 nan 0.000 0.485 164 A N 1.584 124.435 122.820 0.051 0.000 3.422 164 A HA 0.267 4.587 4.320 0.000 0.000 0.271 164 A C -2.119 175.470 177.584 0.008 0.000 1.104 164 A CA -0.772 51.282 52.037 0.029 0.000 0.899 164 A CB 0.548 19.479 19.000 -0.115 0.000 1.309 164 A HN -0.124 nan 8.150 nan 0.000 0.580 165 P HA 0.101 nan 4.420 nan 0.000 0.226 165 P C 0.921 178.274 177.300 0.088 0.000 1.153 165 P CA 1.834 64.978 63.100 0.074 0.000 0.777 165 P CB 0.117 31.863 31.700 0.076 0.000 0.794 166 G N 0.743 109.569 108.800 0.043 0.000 2.730 166 G HA2 -0.184 3.776 3.960 0.000 0.000 0.686 166 G HA3 -0.184 3.776 3.960 0.000 0.000 0.686 166 G C -0.092 174.815 174.900 0.012 0.000 1.343 166 G CA -0.280 44.846 45.100 0.044 0.000 0.826 166 G HN 0.142 nan 8.290 nan 0.000 0.582 167 N N -2.352 116.360 118.700 0.019 0.000 2.753 167 N HA -0.270 4.471 4.740 0.000 0.000 0.251 167 N C 1.846 177.226 175.510 -0.217 0.000 1.097 167 N CA 2.439 55.441 53.050 -0.080 0.000 0.786 167 N CB -1.596 36.782 38.487 -0.183 0.000 1.137 167 N HN 1.870 nan 8.380 nan 0.000 0.566 168 V N -3.222 116.537 119.914 -0.258 0.000 2.626 168 V HA 0.054 4.174 4.120 0.000 0.000 0.252 168 V C 2.324 178.286 176.094 -0.221 0.000 1.067 168 V CA 2.155 64.350 62.300 -0.176 0.000 1.081 168 V CB -0.807 30.962 31.823 -0.090 0.000 0.686 168 V HN 0.265 nan 8.190 nan 0.000 0.468 169 G N 0.314 108.777 108.800 -0.560 0.000 2.422 169 G HA2 -0.105 3.855 3.960 0.000 0.000 0.218 169 G HA3 -0.105 3.855 3.960 0.000 0.000 0.218 169 G C 1.547 176.466 174.900 0.033 0.000 1.140 169 G CA 1.018 45.960 45.100 -0.263 0.000 0.775 169 G HN 0.518 nan 8.290 nan 0.000 0.545 170 L N -0.285 120.906 121.223 -0.055 0.000 2.109 170 L HA 0.113 4.453 4.340 0.000 0.000 0.207 170 L C 2.762 179.701 176.870 0.115 0.000 1.086 170 L CA 0.377 55.161 54.840 -0.095 0.000 0.760 170 L CB -0.219 41.450 42.059 -0.650 0.000 0.910 170 L HN 0.189 nan 8.230 nan 0.000 0.437 171 L N -0.691 120.582 121.223 0.083 0.000 2.217 171 L HA -0.170 4.170 4.340 0.000 0.000 0.211 171 L C 2.084 179.048 176.870 0.157 0.000 1.107 171 L CA 0.679 55.628 54.840 0.181 0.000 0.783 171 L CB -0.515 41.623 42.059 0.131 0.000 0.919 171 L HN 0.247 nan 8.230 nan 0.000 0.442 172 D N -0.022 120.467 120.400 0.149 0.000 2.117 172 D HA -0.189 4.451 4.640 0.000 0.000 0.198 172 D C 2.253 178.649 176.300 0.161 0.000 0.982 172 D CA 1.110 55.258 54.000 0.247 0.000 0.828 172 D CB -0.174 40.809 40.800 0.306 0.000 0.967 172 D HN 0.384 nan 8.370 nan 0.000 0.464 173 Q N 0.223 120.084 119.800 0.102 0.000 2.096 173 Q HA -0.150 4.191 4.340 0.000 0.000 0.204 173 Q C 2.269 178.198 176.000 -0.118 0.000 0.982 173 Q CA 1.135 56.915 55.803 -0.039 0.000 0.850 173 Q CB -0.090 28.646 28.738 -0.004 0.000 0.901 173 Q HN 0.196 nan 8.270 nan 0.000 0.422 174 R N 0.463 120.977 120.500 0.023 0.000 2.120 174 R HA -0.124 4.217 4.340 0.000 0.000 0.234 174 R C 2.133 178.418 176.300 -0.025 0.000 1.123 174 R CA 1.317 57.406 56.100 -0.019 0.000 0.975 174 R CB -0.108 30.272 30.300 0.133 0.000 0.866 174 R HN 0.266 nan 8.270 nan 0.000 0.446 175 M N -0.058 119.555 119.600 0.022 0.000 2.229 175 M HA -0.042 4.438 4.480 0.000 0.000 0.264 175 M C 2.018 178.274 176.300 -0.072 0.000 1.063 175 M CA 1.787 57.128 55.300 0.069 0.000 1.114 175 M CB 0.078 32.819 32.600 0.234 0.000 1.387 175 M HN 0.282 nan 8.290 nan 0.000 0.420 176 A N 0.107 122.641 122.820 -0.477 0.000 1.929 176 A HA -0.066 4.254 4.320 0.000 0.000 0.216 176 A C 1.999 179.457 177.584 -0.210 0.000 1.176 176 A CA 1.195 52.759 52.037 -0.788 0.000 0.628 176 A CB -0.879 17.364 19.000 -1.262 0.000 0.816 176 A HN 0.552 nan 8.150 nan 0.000 0.444 177 L N -0.998 120.129 121.223 -0.159 0.000 2.093 177 L HA -0.216 4.124 4.340 0.000 0.000 0.208 177 L C 2.840 179.740 176.870 0.051 0.000 1.085 177 L CA 1.687 56.497 54.840 -0.050 0.000 0.755 177 L CB -0.434 41.556 42.059 -0.114 0.000 0.904 177 L HN 0.502 nan 8.230 nan 0.000 0.435 178 Q N -0.308 119.518 119.800 0.043 0.000 2.084 178 Q HA -0.266 4.074 4.340 0.000 0.000 0.202 178 Q C 2.008 178.102 176.000 0.157 0.000 0.978 178 Q CA 1.904 57.750 55.803 0.071 0.000 0.844 178 Q CB -0.487 28.284 28.738 0.054 0.000 0.898 178 Q HN 0.479 nan 8.270 nan 0.000 0.426 179 W N -0.774 120.533 121.300 0.011 0.000 2.374 179 W HA -0.129 4.531 4.660 0.000 0.000 0.288 179 W C 1.701 178.247 176.519 0.045 0.000 1.218 179 W CA 1.442 58.815 57.345 0.046 0.000 1.245 179 W CB 0.004 29.489 29.460 0.042 0.000 1.126 179 W HN 0.019 nan 8.180 nan 0.000 0.545 180 V N -0.163 119.925 119.914 0.290 0.000 2.307 180 V HA -0.356 3.765 4.120 0.000 0.000 0.245 180 V C 2.547 178.648 176.094 0.012 0.000 1.045 180 V CA 2.298 64.701 62.300 0.172 0.000 1.024 180 V CB -1.260 30.663 31.823 0.166 0.000 0.651 180 V HN 0.328 nan 8.190 nan 0.000 0.449 181 H N 0.371 119.416 119.070 -0.041 0.000 2.353 181 H HA -0.199 4.358 4.556 0.000 0.000 0.298 181 H C 1.855 177.091 175.328 -0.154 0.000 1.103 181 H CA 2.187 58.189 56.048 -0.077 0.000 1.293 181 H CB 0.068 29.804 29.762 -0.043 0.000 1.372 181 H HN 0.430 nan 8.280 nan 0.000 0.501 182 D N -0.633 119.701 120.400 -0.110 0.000 2.271 182 D HA -0.023 4.617 4.640 0.000 0.000 0.206 182 D C 1.455 177.524 176.300 -0.385 0.000 0.967 182 D CA 0.482 54.355 54.000 -0.210 0.000 0.867 182 D CB 0.074 40.794 40.800 -0.133 0.000 0.960 182 D HN 0.469 nan 8.370 nan 0.000 0.509 183 N N -0.213 118.177 118.700 -0.517 0.000 2.360 183 N HA 0.028 4.768 4.740 0.000 0.000 0.211 183 N C 1.597 176.899 175.510 -0.347 0.000 1.147 183 N CA -0.165 52.568 53.050 -0.529 0.000 0.866 183 N CB 0.979 38.852 38.487 -1.024 0.000 1.206 183 N HN -0.024 nan 8.380 nan 0.000 0.478 184 I N 3.509 123.941 120.570 -0.230 0.000 2.381 184 I HA -0.312 3.858 4.170 0.000 0.000 0.255 184 I C 2.628 178.715 176.117 -0.050 0.000 1.140 184 I CA 1.488 62.780 61.300 -0.013 0.000 1.404 184 I CB -0.259 37.737 38.000 -0.005 0.000 1.075 184 I HN 0.232 nan 8.210 nan 0.000 0.433 185 Q N -0.689 118.897 119.800 -0.358 0.000 2.181 185 Q HA -0.249 4.091 4.340 0.000 0.000 0.205 185 Q C 1.824 177.635 176.000 -0.315 0.000 0.980 185 Q CA 1.771 57.342 55.803 -0.387 0.000 0.862 185 Q CB -0.886 27.516 28.738 -0.560 0.000 0.905 185 Q HN 0.457 nan 8.270 nan 0.000 0.429 186 F N -0.525 119.391 119.950 -0.056 0.000 2.748 186 F HA 0.148 4.676 4.527 0.000 0.000 0.299 186 F C 0.834 176.412 175.800 -0.370 0.000 1.154 186 F CA 0.114 57.977 58.000 -0.229 0.000 1.446 186 F CB -0.107 38.673 39.000 -0.366 0.000 1.112 186 F HN -0.008 nan 8.300 nan 0.000 0.584 187 F N -0.706 119.251 119.950 0.011 0.000 2.678 187 F HA 0.441 4.969 4.527 0.000 0.000 0.305 187 F C 1.784 177.612 175.800 0.047 0.000 1.090 187 F CA 0.341 58.341 58.000 -0.000 0.000 1.272 187 F CB 0.312 39.291 39.000 -0.035 0.000 1.060 187 F HN 0.025 nan 8.300 nan 0.000 0.576 188 G N 0.074 108.965 108.800 0.151 0.000 2.179 188 G HA2 -0.147 3.813 3.960 0.000 0.000 0.220 188 G HA3 -0.147 3.813 3.960 0.000 0.000 0.220 188 G C 0.573 175.523 174.900 0.084 0.000 0.990 188 G CA -0.371 44.793 45.100 0.107 0.000 0.646 188 G HN 0.674 nan 8.290 nan 0.000 0.517 189 G N -0.203 108.649 108.800 0.087 0.000 2.420 189 G HA2 0.491 4.451 3.960 0.000 0.000 0.284 189 G HA3 0.491 4.451 3.960 0.000 0.000 0.284 189 G C -0.743 174.147 174.900 -0.017 0.000 1.177 189 G CA 0.328 45.458 45.100 0.050 0.000 0.841 189 G HN 0.263 nan 8.290 nan 0.000 0.527 190 D N 1.978 122.368 120.400 -0.017 0.000 2.380 190 D HA 0.245 4.885 4.640 0.000 0.000 0.230 190 D C -0.908 175.357 176.300 -0.058 0.000 1.154 190 D CA -2.426 51.544 54.000 -0.049 0.000 0.859 190 D CB 1.720 42.499 40.800 -0.035 0.000 1.045 190 D HN 0.075 nan 8.370 nan 0.000 0.495 191 P HA -0.157 nan 4.420 nan 0.000 0.223 191 P C 0.646 177.907 177.300 -0.065 0.000 1.144 191 P CA 0.886 63.913 63.100 -0.122 0.000 0.783 191 P CB 0.369 31.896 31.700 -0.287 0.000 0.771 192 K N -0.910 119.452 120.400 -0.064 0.000 2.426 192 K HA 0.091 4.411 4.320 0.000 0.000 0.193 192 K C 0.299 176.885 176.600 -0.024 0.000 1.028 192 K CA 0.638 56.903 56.287 -0.038 0.000 1.047 192 K CB 0.153 32.623 32.500 -0.049 0.000 0.821 192 K HN 0.069 nan 8.250 nan 0.000 0.513 193 T N 1.367 115.910 114.554 -0.018 0.000 3.532 193 T HA 0.128 4.478 4.350 0.000 0.000 0.241 193 T C -0.669 174.039 174.700 0.013 0.000 1.238 193 T CA -0.310 61.779 62.100 -0.018 0.000 1.405 193 T CB 0.591 69.438 68.868 -0.036 0.000 0.971 193 T HN -0.068 nan 8.240 nan 0.000 0.640 194 V N 0.929 120.877 119.914 0.056 0.000 2.483 194 V HA 0.765 4.885 4.120 0.000 0.000 0.295 194 V C -0.534 175.657 176.094 0.161 0.000 1.035 194 V CA -0.094 62.269 62.300 0.106 0.000 0.896 194 V CB 1.792 33.694 31.823 0.131 0.000 0.986 194 V HN 0.403 nan 8.190 nan 0.000 0.447 195 T N 8.307 122.943 114.554 0.138 0.000 2.779 195 T HA 0.564 4.914 4.350 0.000 0.000 0.280 195 T C -0.107 174.708 174.700 0.191 0.000 0.987 195 T CA -0.155 62.044 62.100 0.165 0.000 0.966 195 T CB 0.852 69.771 68.868 0.084 0.000 0.933 195 T HN 0.866 nan 8.240 nan 0.000 0.442 196 I N 1.678 122.324 120.570 0.127 0.000 2.396 196 I HA 0.854 5.024 4.170 0.000 0.000 0.292 196 I C -0.768 175.506 176.117 0.262 0.000 0.999 196 I CA -0.896 60.452 61.300 0.080 0.000 1.310 196 I CB 0.702 38.506 38.000 -0.327 0.000 1.404 196 I HN 0.505 nan 8.210 nan 0.000 0.496 197 F N 2.901 122.868 119.950 0.030 0.000 2.619 197 F HA 0.990 5.517 4.527 0.000 0.000 0.308 197 F C -0.481 175.307 175.800 -0.021 0.000 1.097 197 F CA -1.266 56.788 58.000 0.090 0.000 0.953 197 F CB 1.287 40.447 39.000 0.267 0.000 1.287 197 F HN 0.844 nan 8.300 nan 0.000 0.446 198 G N 1.085 109.773 108.800 -0.188 0.000 2.623 198 G HA2 0.492 4.452 3.960 0.000 0.000 0.290 198 G HA3 0.492 4.452 3.960 0.000 0.000 0.290 198 G C -2.530 172.152 174.900 -0.363 0.000 1.437 198 G CA -0.799 43.776 45.100 -0.874 0.000 0.798 198 G HN 0.865 nan 8.290 nan 0.000 0.488 199 E N 0.297 120.244 120.200 -0.421 0.000 2.212 199 E HA 0.619 4.970 4.350 0.000 0.000 0.268 199 E C 0.784 177.323 176.600 -0.102 0.000 0.902 199 E CA 0.365 56.752 56.400 -0.020 0.000 0.779 199 E CB 2.061 31.941 29.700 0.298 0.000 1.172 199 E HN 0.922 nan 8.360 nan 0.000 0.409 200 S N 3.148 118.823 115.700 -0.043 0.000 4.150 200 S HA -0.408 4.062 4.470 0.000 0.000 0.575 200 S C 1.529 176.157 174.600 0.046 0.000 1.878 200 S CA 2.505 60.725 58.200 0.034 0.000 4.245 200 S CB -1.673 61.522 63.200 -0.009 0.000 0.231 200 S HN 0.977 nan 8.310 nan 0.000 0.469 201 A N 1.192 123.929 122.820 -0.138 0.000 2.019 201 A HA 0.186 4.506 4.320 0.000 0.000 0.219 201 A C 2.505 179.826 177.584 -0.439 0.000 1.164 201 A CA 2.360 54.144 52.037 -0.423 0.000 0.644 201 A CB -1.530 16.867 19.000 -1.004 0.000 0.805 201 A HN 1.612 nan 8.150 nan 0.000 0.449 202 G N -0.851 107.743 108.800 -0.344 0.000 2.421 202 G HA2 0.117 4.077 3.960 0.000 0.000 0.217 202 G HA3 0.117 4.077 3.960 0.000 0.000 0.217 202 G C 1.399 176.106 174.900 -0.321 0.000 1.143 202 G CA 1.124 45.976 45.100 -0.412 0.000 0.784 202 G HN 0.649 nan 8.290 nan 0.000 0.541 203 G N 0.923 109.595 108.800 -0.213 0.000 2.396 203 G HA2 0.157 4.117 3.960 0.000 0.000 0.214 203 G HA3 0.157 4.117 3.960 0.000 0.000 0.214 203 G C 2.005 176.798 174.900 -0.178 0.000 1.166 203 G CA 1.274 46.284 45.100 -0.150 0.000 0.793 203 G HN 0.537 nan 8.290 nan 0.000 0.533 204 A N 0.928 123.666 122.820 -0.136 0.000 1.933 204 A HA 0.018 4.338 4.320 0.000 0.000 0.218 204 A C 2.676 180.185 177.584 -0.124 0.000 1.175 204 A CA 2.222 54.156 52.037 -0.170 0.000 0.628 204 A CB -0.573 18.349 19.000 -0.130 0.000 0.814 204 A HN 0.294 nan 8.150 nan 0.000 0.444 205 S N -0.502 115.146 115.700 -0.087 0.000 2.356 205 S HA -0.142 4.328 4.470 0.000 0.000 0.223 205 S C 1.906 176.413 174.600 -0.155 0.000 1.032 205 S CA 1.414 59.536 58.200 -0.131 0.000 1.005 205 S CB -0.528 62.553 63.200 -0.199 0.000 0.867 205 S HN 0.339 nan 8.310 nan 0.000 0.449 206 V N 1.600 121.434 119.914 -0.133 0.000 2.332 206 V HA -0.194 3.926 4.120 0.000 0.000 0.248 206 V C 2.542 178.568 176.094 -0.114 0.000 1.055 206 V CA 2.045 64.275 62.300 -0.116 0.000 1.038 206 V CB -1.358 30.376 31.823 -0.148 0.000 0.651 206 V HN 0.615 nan 8.190 nan 0.000 0.450 207 G N -1.343 107.335 108.800 -0.203 0.000 2.422 207 G HA2 -0.231 3.729 3.960 0.000 0.000 0.218 207 G HA3 -0.231 3.729 3.960 0.000 0.000 0.218 207 G C 1.584 176.449 174.900 -0.059 0.000 1.140 207 G CA 0.790 45.735 45.100 -0.258 0.000 0.775 207 G HN 0.453 nan 8.290 nan 0.000 0.545 208 M N -0.152 119.426 119.600 -0.037 0.000 2.254 208 M HA 0.043 4.523 4.480 0.000 0.000 0.265 208 M C 2.191 178.588 176.300 0.163 0.000 1.066 208 M CA 0.779 56.182 55.300 0.172 0.000 1.123 208 M CB -0.146 32.553 32.600 0.164 0.000 1.388 208 M HN 0.174 nan 8.290 nan 0.000 0.425 209 H N -0.370 118.798 119.070 0.164 0.000 2.462 209 H HA 0.055 4.612 4.556 0.000 0.000 0.292 209 H C 2.080 177.574 175.328 0.277 0.000 1.049 209 H CA 1.190 57.325 56.048 0.145 0.000 1.334 209 H CB -0.117 29.628 29.762 -0.030 0.000 1.404 209 H HN 0.402 nan 8.280 nan 0.000 0.544 210 I N 0.381 121.188 120.570 0.396 0.000 2.252 210 I HA -0.234 3.936 4.170 0.000 0.000 0.245 210 I C 2.162 178.503 176.117 0.373 0.000 1.102 210 I CA 0.780 62.359 61.300 0.465 0.000 1.385 210 I CB -0.011 38.205 38.000 0.359 0.000 1.064 210 I HN 0.102 nan 8.210 nan 0.000 0.414 211 L N -0.678 120.732 121.223 0.312 0.000 2.023 211 L HA -0.080 4.260 4.340 0.000 0.000 0.205 211 L C 1.565 178.555 176.870 0.200 0.000 1.073 211 L CA 0.398 55.430 54.840 0.320 0.000 0.745 211 L CB -0.498 41.776 42.059 0.360 0.000 0.900 211 L HN 0.055 nan 8.230 nan 0.000 0.435 212 S N 0.340 116.077 115.700 0.063 0.000 2.555 212 S HA 0.038 4.508 4.470 0.000 0.000 0.293 212 S C -1.452 173.037 174.600 -0.186 0.000 1.248 212 S CA -1.200 56.845 58.200 -0.258 0.000 1.096 212 S CB 0.717 63.321 63.200 -0.993 0.000 0.881 212 S HN -0.059 nan 8.310 nan 0.000 0.498 213 P HA -0.084 nan 4.420 nan 0.000 0.216 213 P C 1.368 178.586 177.300 -0.136 0.000 1.154 213 P CA 1.252 64.290 63.100 -0.103 0.000 0.865 213 P CB -0.084 31.563 31.700 -0.088 0.000 0.789 214 G N -1.827 106.839 108.800 -0.222 0.000 2.776 214 G HA2 -0.093 3.867 3.960 0.000 0.000 0.209 214 G HA3 -0.093 3.867 3.960 0.000 0.000 0.209 214 G C 1.293 176.095 174.900 -0.163 0.000 1.145 214 G CA 0.451 45.431 45.100 -0.199 0.000 0.791 214 G HN 0.227 nan 8.290 nan 0.000 0.530 215 S N -0.641 114.983 115.700 -0.127 0.000 2.524 215 S HA 0.126 4.596 4.470 0.000 0.000 0.222 215 S C 2.168 176.848 174.600 0.133 0.000 1.040 215 S CA -0.493 57.728 58.200 0.036 0.000 0.915 215 S CB 0.250 63.575 63.200 0.209 0.000 0.831 215 S HN 0.336 nan 8.310 nan 0.000 0.492 216 R N 1.991 122.520 120.500 0.048 0.000 2.140 216 R HA -0.124 4.217 4.340 0.000 0.000 0.250 216 R C 0.641 176.781 176.300 -0.268 0.000 1.150 216 R CA 1.614 57.664 56.100 -0.084 0.000 0.966 216 R CB -0.388 29.876 30.300 -0.060 0.000 0.869 216 R HN 0.327 nan 8.270 nan 0.000 0.445 217 D N 0.297 120.602 120.400 -0.158 0.000 2.328 217 D HA 0.018 4.659 4.640 0.000 0.000 0.226 217 D C 1.118 177.336 176.300 -0.136 0.000 1.066 217 D CA 0.519 54.419 54.000 -0.167 0.000 0.861 217 D CB 0.308 41.026 40.800 -0.135 0.000 0.912 217 D HN 0.265 nan 8.370 nan 0.000 0.521 218 L N 0.081 121.271 121.223 -0.054 0.000 2.628 218 L HA 0.180 4.520 4.340 0.000 0.000 0.229 218 L C -0.129 176.893 176.870 0.253 0.000 1.137 218 L CA -0.052 54.830 54.840 0.071 0.000 0.909 218 L CB -0.171 41.929 42.059 0.068 0.000 1.137 218 L HN -0.082 nan 8.230 nan 0.000 0.470 219 F N -4.142 115.814 119.950 0.010 0.000 2.719 219 F HA 0.494 5.022 4.527 0.000 0.000 0.309 219 F C 0.274 176.094 175.800 0.034 0.000 1.138 219 F CA -1.373 56.643 58.000 0.027 0.000 0.943 219 F CB 1.141 40.156 39.000 0.025 0.000 1.304 219 F HN -0.356 nan 8.300 nan 0.000 0.445 220 R N 0.900 121.427 120.500 0.046 0.000 2.074 220 R HA 0.467 4.807 4.340 0.000 0.000 0.218 220 R C -0.111 176.217 176.300 0.046 0.000 1.137 220 R CA 1.130 57.211 56.100 -0.032 0.000 0.998 220 R CB 0.276 30.573 30.300 -0.004 0.000 0.895 220 R HN 0.802 nan 8.270 nan 0.000 0.442 221 R N -1.370 119.270 120.500 0.234 0.000 2.888 221 R HA 0.747 5.087 4.340 0.000 0.000 0.264 221 R C -1.494 175.083 176.300 0.462 0.000 1.045 221 R CA -0.756 55.511 56.100 0.278 0.000 0.962 221 R CB 2.086 32.373 30.300 -0.022 0.000 1.210 221 R HN 0.179 nan 8.270 nan 0.000 0.479 222 A N 1.292 124.370 122.820 0.430 0.000 2.449 222 A HA 0.701 5.022 4.320 0.000 0.000 0.302 222 A C -1.062 176.613 177.584 0.152 0.000 1.048 222 A CA -0.667 51.525 52.037 0.258 0.000 0.708 222 A CB 1.183 20.298 19.000 0.192 0.000 1.274 222 A HN 0.588 nan 8.150 nan 0.000 0.410 223 I N 2.073 122.686 120.570 0.071 0.000 2.436 223 I HA 0.361 4.531 4.170 0.000 0.000 0.289 223 I C -1.442 174.694 176.117 0.032 0.000 1.010 223 I CA -0.628 60.628 61.300 -0.073 0.000 1.098 223 I CB 1.884 39.779 38.000 -0.175 0.000 1.266 223 I HN 0.424 nan 8.210 nan 0.000 0.434 224 L N 6.773 127.986 121.223 -0.017 0.000 2.316 224 L HA 0.409 4.749 4.340 0.000 0.000 0.280 224 L C -0.421 176.499 176.870 0.084 0.000 1.006 224 L CA -0.238 54.598 54.840 -0.007 0.000 0.836 224 L CB 1.395 43.380 42.059 -0.123 0.000 1.221 224 L HN 0.491 nan 8.230 nan 0.000 0.418 225 Q N 1.991 121.903 119.800 0.185 0.000 2.368 225 Q HA 0.467 4.807 4.340 0.000 0.000 0.256 225 Q C 0.102 176.194 176.000 0.154 0.000 0.980 225 Q CA -0.538 55.443 55.803 0.295 0.000 0.887 225 Q CB 1.296 30.324 28.738 0.484 0.000 1.221 225 Q HN 0.623 nan 8.270 nan 0.000 0.458 226 S N 1.061 116.830 115.700 0.116 0.000 3.631 226 S HA -0.155 4.315 4.470 0.000 0.000 0.366 226 S C 0.038 174.729 174.600 0.151 0.000 0.993 226 S CA 0.546 58.814 58.200 0.113 0.000 1.167 226 S CB -1.196 62.048 63.200 0.073 0.000 0.909 226 S HN 1.004 nan 8.310 nan 0.000 0.478 227 G N -0.440 108.408 108.800 0.080 0.000 2.556 227 G HA2 0.627 4.588 3.960 0.000 0.000 0.294 227 G HA3 0.627 4.588 3.960 0.000 0.000 0.294 227 G C -1.009 173.822 174.900 -0.115 0.000 1.516 227 G CA 0.127 45.281 45.100 0.089 0.000 0.824 227 G HN 1.128 nan 8.290 nan 0.000 0.535 228 S N 0.620 116.183 115.700 -0.228 0.000 2.596 228 S HA 0.786 5.256 4.470 0.000 0.000 0.270 228 S C -2.058 172.256 174.600 -0.477 0.000 1.155 228 S CA -0.994 56.925 58.200 -0.468 0.000 0.827 228 S CB 2.825 65.747 63.200 -0.464 0.000 1.130 228 S HN 0.458 nan 8.310 nan 0.000 0.467 229 P HA -0.186 nan 4.420 nan 0.000 0.216 229 P C 0.696 177.763 177.300 -0.388 0.000 1.153 229 P CA 1.626 64.489 63.100 -0.395 0.000 0.858 229 P CB -0.399 31.115 31.700 -0.310 0.000 0.789 230 N N -0.679 117.832 118.700 -0.314 0.000 2.434 230 N HA -0.030 4.710 4.740 0.000 0.000 0.196 230 N C 0.021 175.308 175.510 -0.371 0.000 1.183 230 N CA -0.109 52.780 53.050 -0.268 0.000 0.849 230 N CB -1.407 37.038 38.487 -0.069 0.000 0.992 230 N HN 0.063 nan 8.380 nan 0.000 0.460 231 C N 2.632 121.598 119.300 -0.556 0.000 2.657 231 C HA 0.085 4.545 4.460 0.000 0.000 0.420 231 C C -0.147 174.360 174.990 -0.804 0.000 1.323 231 C CA -0.972 57.593 59.018 -0.756 0.000 1.894 231 C CB 1.106 28.083 27.740 -1.271 0.000 2.681 231 C HN 0.361 nan 8.230 nan 0.000 0.613 232 P HA -0.123 nan 4.420 nan 0.000 0.218 232 P C 1.192 178.260 177.300 -0.386 0.000 1.148 232 P CA 1.893 64.715 63.100 -0.462 0.000 0.822 232 P CB -0.139 31.307 31.700 -0.423 0.000 0.784 233 W N -1.212 119.943 121.300 -0.241 0.000 3.290 233 W HA 0.579 5.239 4.660 0.000 0.000 0.287 233 W C 0.945 177.458 176.519 -0.010 0.000 1.288 233 W CA 0.288 57.530 57.345 -0.172 0.000 1.725 233 W CB -1.110 28.220 29.460 -0.216 0.000 1.103 233 W HN -0.101 nan 8.180 nan 0.000 0.670 234 A N 1.229 123.594 122.820 -0.758 0.000 2.238 234 A HA 0.257 4.578 4.320 0.000 0.000 0.210 234 A C 0.902 178.263 177.584 -0.372 0.000 1.179 234 A CA 0.917 52.621 52.037 -0.554 0.000 0.827 234 A CB -0.438 17.971 19.000 -0.984 0.000 0.856 234 A HN 0.212 nan 8.150 nan 0.000 0.488 235 S N -1.797 113.690 115.700 -0.353 0.000 2.587 235 S HA 0.637 5.108 4.470 0.000 0.000 0.269 235 S C -0.796 173.651 174.600 -0.254 0.000 1.154 235 S CA -0.078 57.915 58.200 -0.345 0.000 0.824 235 S CB 1.158 64.093 63.200 -0.441 0.000 1.118 235 S HN 1.354 nan 8.310 nan 0.000 0.462 236 V N -1.153 118.636 119.914 -0.209 0.000 3.167 236 V HA 0.962 5.083 4.120 0.000 0.000 0.310 236 V C 0.154 176.165 176.094 -0.137 0.000 1.207 236 V CA -0.411 61.795 62.300 -0.156 0.000 1.059 236 V CB 1.061 32.814 31.823 -0.116 0.000 1.079 236 V HN 1.586 nan 8.190 nan 0.000 0.446 237 S N 0.211 115.845 115.700 -0.109 0.000 2.645 237 S HA 0.435 4.905 4.470 0.000 0.000 0.266 237 S C 1.274 175.831 174.600 -0.073 0.000 1.258 237 S CA 0.025 58.169 58.200 -0.094 0.000 0.990 237 S CB 1.262 64.417 63.200 -0.076 0.000 0.967 237 S HN 2.128 nan 8.310 nan 0.000 0.556 238 V N -1.023 118.844 119.914 -0.078 0.000 2.407 238 V HA -0.014 4.106 4.120 0.000 0.000 0.248 238 V C 2.622 178.711 176.094 -0.008 0.000 1.055 238 V CA 1.787 64.053 62.300 -0.057 0.000 1.049 238 V CB -2.089 29.676 31.823 -0.097 0.000 0.662 238 V HN 1.012 nan 8.190 nan 0.000 0.455 239 A N 0.679 123.492 122.820 -0.012 0.000 1.865 239 A HA -0.252 4.068 4.320 0.000 0.000 0.217 239 A C 2.224 179.802 177.584 -0.011 0.000 1.191 239 A CA 2.242 54.277 52.037 -0.003 0.000 0.623 239 A CB -0.813 18.181 19.000 -0.009 0.000 0.826 239 A HN 0.635 nan 8.150 nan 0.000 0.444 240 E N 0.108 120.291 120.200 -0.028 0.000 2.110 240 E HA -0.062 4.288 4.350 0.000 0.000 0.193 240 E C 1.960 178.545 176.600 -0.026 0.000 0.988 240 E CA 1.575 57.952 56.400 -0.038 0.000 0.804 240 E CB -0.865 28.799 29.700 -0.060 0.000 0.745 240 E HN 0.420 nan 8.360 nan 0.000 0.458 241 G N 0.591 109.384 108.800 -0.012 0.000 2.421 241 G HA2 -0.350 3.610 3.960 0.000 0.000 0.216 241 G HA3 -0.350 3.610 3.960 0.000 0.000 0.216 241 G C 1.777 176.705 174.900 0.048 0.000 1.171 241 G CA 0.919 46.036 45.100 0.027 0.000 0.775 241 G HN 0.338 nan 8.290 nan 0.000 0.543 242 R N 0.196 120.715 120.500 0.032 0.000 2.066 242 R HA 0.018 4.359 4.340 0.000 0.000 0.232 242 R C 2.587 178.900 176.300 0.021 0.000 1.131 242 R CA 1.252 57.368 56.100 0.028 0.000 0.955 242 R CB -0.375 29.942 30.300 0.029 0.000 0.851 242 R HN 0.286 nan 8.270 nan 0.000 0.432 243 R N 0.658 121.164 120.500 0.010 0.000 2.094 243 R HA -0.181 4.159 4.340 0.000 0.000 0.239 243 R C 2.221 178.525 176.300 0.008 0.000 1.137 243 R CA 2.158 58.260 56.100 0.002 0.000 0.943 243 R CB -0.204 30.089 30.300 -0.012 0.000 0.850 243 R HN 0.286 nan 8.270 nan 0.000 0.433 244 R N -0.334 120.168 120.500 0.004 0.000 2.120 244 R HA -0.078 4.262 4.340 0.000 0.000 0.234 244 R C 2.322 178.709 176.300 0.145 0.000 1.123 244 R CA 1.204 57.307 56.100 0.006 0.000 0.975 244 R CB -0.285 29.939 30.300 -0.128 0.000 0.866 244 R HN 0.298 nan 8.270 nan 0.000 0.446 245 A N 0.694 123.604 122.820 0.149 0.000 1.873 245 A HA -0.107 4.213 4.320 0.000 0.000 0.215 245 A C 2.346 179.947 177.584 0.028 0.000 1.186 245 A CA 1.318 53.410 52.037 0.093 0.000 0.616 245 A CB -0.540 18.454 19.000 -0.009 0.000 0.823 245 A HN 0.103 nan 8.150 nan 0.000 0.442 246 V N 0.064 119.989 119.914 0.019 0.000 2.295 246 V HA -0.235 3.885 4.120 0.000 0.000 0.246 246 V C 2.581 178.687 176.094 0.021 0.000 1.049 246 V CA 2.402 64.706 62.300 0.008 0.000 1.024 246 V CB -0.734 31.093 31.823 0.006 0.000 0.648 246 V HN 0.702 nan 8.190 nan 0.000 0.447 247 E N 0.076 120.294 120.200 0.030 0.000 2.209 247 E HA -0.227 4.123 4.350 0.000 0.000 0.196 247 E C 1.845 178.476 176.600 0.052 0.000 0.993 247 E CA 1.005 57.424 56.400 0.031 0.000 0.819 247 E CB -0.347 29.363 29.700 0.017 0.000 0.745 247 E HN 0.472 nan 8.360 nan 0.000 0.477 248 L N -0.700 120.574 121.223 0.084 0.000 2.109 248 L HA 0.099 4.439 4.340 0.000 0.000 0.207 248 L C 2.091 178.987 176.870 0.043 0.000 1.086 248 L CA 2.042 56.941 54.840 0.098 0.000 0.760 248 L CB -0.813 41.328 42.059 0.137 0.000 0.910 248 L HN 0.224 nan 8.230 nan 0.000 0.437 249 G N -0.962 107.850 108.800 0.019 0.000 2.402 249 G HA2 -0.287 3.673 3.960 0.000 0.000 0.216 249 G HA3 -0.287 3.673 3.960 0.000 0.000 0.216 249 G C 1.763 176.678 174.900 0.024 0.000 1.162 249 G CA 0.710 45.819 45.100 0.014 0.000 0.777 249 G HN 0.370 nan 8.290 nan 0.000 0.539 250 R N 0.583 121.098 120.500 0.024 0.000 2.094 250 R HA -0.107 4.233 4.340 0.000 0.000 0.239 250 R C 2.286 178.605 176.300 0.031 0.000 1.137 250 R CA 1.702 57.817 56.100 0.025 0.000 0.943 250 R CB -0.468 29.845 30.300 0.022 0.000 0.850 250 R HN 0.308 nan 8.270 nan 0.000 0.433 251 N N 0.249 118.972 118.700 0.038 0.000 2.430 251 N HA -0.161 4.580 4.740 0.000 0.000 0.186 251 N C 0.887 176.424 175.510 0.046 0.000 1.032 251 N CA 1.012 54.089 53.050 0.045 0.000 0.893 251 N CB 0.071 38.591 38.487 0.056 0.000 0.957 251 N HN 0.346 nan 8.380 nan 0.000 0.442 252 L N 0.589 121.838 121.223 0.043 0.000 3.014 252 L HA 0.189 4.529 4.340 0.000 0.000 0.263 252 L C -0.478 176.415 176.870 0.039 0.000 1.207 252 L CA -0.255 54.612 54.840 0.044 0.000 1.017 252 L CB 0.015 42.102 42.059 0.047 0.000 1.360 252 L HN -0.008 nan 8.230 nan 0.000 0.560 253 N N 0.353 119.073 118.700 0.033 0.000 2.608 253 N HA -0.172 4.568 4.740 0.000 0.000 0.273 253 N C -0.655 174.872 175.510 0.028 0.000 1.133 253 N CA 0.559 53.626 53.050 0.028 0.000 0.726 253 N CB -1.502 37.002 38.487 0.028 0.000 0.890 253 N HN 0.233 nan 8.380 nan 0.000 0.548 254 c N 0.979 119.594 118.600 0.026 0.000 2.529 254 c HA 0.379 4.950 4.570 0.000 0.000 0.329 254 c C 1.057 175.157 174.090 0.018 0.000 1.194 254 c CA -1.090 55.255 56.329 0.026 0.000 1.779 254 c CB 1.711 44.238 42.510 0.028 0.000 2.322 254 c HN 0.574 nan 8.230 nan 0.000 0.500 255 N N 1.488 120.197 118.700 0.015 0.000 2.454 255 N HA 0.115 4.855 4.740 0.000 0.000 0.260 255 N C -0.047 175.467 175.510 0.007 0.000 1.218 255 N CA 0.447 53.501 53.050 0.007 0.000 0.904 255 N CB 0.420 38.906 38.487 -0.002 0.000 1.065 255 N HN 0.666 nan 8.380 nan 0.000 0.462 256 L N 2.576 123.802 121.223 0.004 0.000 2.959 256 L HA 0.199 4.540 4.340 0.000 0.000 0.259 256 L C 1.224 178.094 176.870 0.001 0.000 1.185 256 L CA -0.360 54.482 54.840 0.003 0.000 0.998 256 L CB -0.059 42.002 42.059 0.004 0.000 1.337 256 L HN 0.409 nan 8.230 nan 0.000 0.555 257 N N 1.011 119.710 118.700 -0.000 0.000 2.104 257 N HA -0.106 4.634 4.740 0.000 0.000 0.190 257 N C 0.854 176.363 175.510 -0.002 0.000 1.024 257 N CA 1.311 54.360 53.050 -0.002 0.000 0.853 257 N CB 0.025 38.509 38.487 -0.004 0.000 1.008 257 N HN 0.454 nan 8.380 nan 0.000 0.424 258 S N -1.492 114.207 115.700 -0.001 0.000 2.579 258 S HA 0.352 4.822 4.470 0.000 0.000 0.272 258 S C -0.043 174.558 174.600 0.001 0.000 1.141 258 S CA -0.886 57.313 58.200 -0.001 0.000 0.843 258 S CB 1.962 65.161 63.200 -0.000 0.000 1.122 258 S HN -0.182 nan 8.310 nan 0.000 0.468 259 D N 1.350 121.749 120.400 -0.002 0.000 2.149 259 D HA -0.130 4.510 4.640 0.000 0.000 0.194 259 D C 1.495 177.802 176.300 0.013 0.000 1.001 259 D CA 2.069 56.066 54.000 -0.005 0.000 0.849 259 D CB -0.242 40.551 40.800 -0.011 0.000 0.939 259 D HN 0.727 nan 8.370 nan 0.000 0.449 260 E N 0.993 121.208 120.200 0.025 0.000 2.077 260 E HA -0.129 4.222 4.350 0.000 0.000 0.193 260 E C 2.043 178.689 176.600 0.077 0.000 0.989 260 E CA 0.773 57.206 56.400 0.056 0.000 0.800 260 E CB -0.265 29.463 29.700 0.047 0.000 0.746 260 E HN 0.425 nan 8.360 nan 0.000 0.452 261 E N 0.455 120.676 120.200 0.036 0.000 2.031 261 E HA -0.189 4.161 4.350 0.000 0.000 0.193 261 E C 2.166 178.800 176.600 0.055 0.000 0.994 261 E CA 0.912 57.326 56.400 0.023 0.000 0.800 261 E CB -0.409 29.291 29.700 -0.000 0.000 0.752 261 E HN 0.171 nan 8.360 nan 0.000 0.447 262 L N 1.533 122.777 121.223 0.035 0.000 1.970 262 L HA -0.160 4.180 4.340 0.000 0.000 0.212 262 L C 2.336 179.233 176.870 0.044 0.000 1.071 262 L CA 1.531 56.385 54.840 0.024 0.000 0.751 262 L CB -0.672 41.379 42.059 -0.013 0.000 0.889 262 L HN 0.060 nan 8.230 nan 0.000 0.432 263 I N -0.939 119.658 120.570 0.044 0.000 2.163 263 I HA -0.359 3.811 4.170 0.000 0.000 0.243 263 I C 2.615 178.841 176.117 0.181 0.000 1.085 263 I CA 1.615 62.967 61.300 0.087 0.000 1.347 263 I CB -0.703 37.346 38.000 0.082 0.000 1.044 263 I HN 0.470 nan 8.210 nan 0.000 0.408 264 H N 0.277 119.390 119.070 0.071 0.000 2.387 264 H HA -0.243 4.314 4.556 0.000 0.000 0.299 264 H C 2.414 177.781 175.328 0.064 0.000 1.099 264 H CA 2.084 58.171 56.048 0.065 0.000 1.315 264 H CB -0.207 29.579 29.762 0.041 0.000 1.380 264 H HN 0.498 nan 8.280 nan 0.000 0.513 265 c N 0.443 119.186 118.600 0.239 0.000 2.453 265 c HA -0.047 4.523 4.570 0.000 0.000 0.277 265 c C 3.053 177.221 174.090 0.131 0.000 1.262 265 c CA 0.507 56.933 56.329 0.162 0.000 1.718 265 c CB -1.362 41.207 42.510 0.098 0.000 2.031 265 c HN 0.531 nan 8.230 nan 0.000 0.480 266 L N 0.206 121.513 121.223 0.139 0.000 2.131 266 L HA -0.103 4.237 4.340 0.000 0.000 0.210 266 L C 2.814 179.812 176.870 0.213 0.000 1.092 266 L CA 1.504 56.453 54.840 0.181 0.000 0.759 266 L CB -0.597 41.574 42.059 0.186 0.000 0.903 266 L HN 0.351 nan 8.230 nan 0.000 0.435 267 R N -0.679 119.924 120.500 0.170 0.000 2.307 267 R HA -0.064 4.276 4.340 0.000 0.000 0.199 267 R C 1.714 178.010 176.300 -0.006 0.000 1.000 267 R CA 0.306 56.418 56.100 0.021 0.000 1.023 267 R CB 0.137 30.398 30.300 -0.063 0.000 0.908 267 R HN 0.261 nan 8.270 nan 0.000 0.473 268 E N 0.334 120.561 120.200 0.045 0.000 2.307 268 E HA 0.036 4.386 4.350 0.000 0.000 0.195 268 E C 0.028 176.658 176.600 0.051 0.000 0.975 268 E CA 0.458 56.885 56.400 0.045 0.000 0.878 268 E CB 0.359 30.111 29.700 0.087 0.000 0.845 268 E HN 0.001 nan 8.360 nan 0.000 0.488 269 K N 2.053 122.492 120.400 0.066 0.000 2.401 269 K HA 0.085 4.405 4.320 0.000 0.000 0.278 269 K C 0.658 177.305 176.600 0.079 0.000 1.018 269 K CA -0.054 56.276 56.287 0.071 0.000 0.981 269 K CB 0.698 33.244 32.500 0.077 0.000 0.933 269 K HN -0.162 nan 8.250 nan 0.000 0.477 270 K N 2.703 123.150 120.400 0.078 0.000 2.180 270 K HA 0.049 4.370 4.320 0.000 0.000 0.251 270 K C -1.545 175.142 176.600 0.145 0.000 1.014 270 K CA -1.667 54.671 56.287 0.086 0.000 0.913 270 K CB -0.031 32.508 32.500 0.065 0.000 1.008 270 K HN 0.191 nan 8.250 nan 0.000 0.490 271 P HA -0.225 nan 4.420 nan 0.000 0.214 271 P C 1.171 178.657 177.300 0.311 0.000 1.169 271 P CA 1.552 64.837 63.100 0.308 0.000 0.908 271 P CB 0.255 32.008 31.700 0.088 0.000 0.791 272 Q N -0.020 119.891 119.800 0.186 0.000 2.234 272 Q HA -0.202 4.138 4.340 0.000 0.000 0.206 272 Q C 1.871 177.973 176.000 0.169 0.000 0.980 272 Q CA 1.672 57.578 55.803 0.172 0.000 0.869 272 Q CB -0.830 27.978 28.738 0.117 0.000 0.912 272 Q HN 0.376 nan 8.270 nan 0.000 0.436 273 E N -1.008 119.280 120.200 0.146 0.000 2.106 273 E HA -0.155 4.195 4.350 0.000 0.000 0.192 273 E C 1.537 178.209 176.600 0.120 0.000 0.984 273 E CA 0.798 57.270 56.400 0.121 0.000 0.806 273 E CB 0.024 29.783 29.700 0.097 0.000 0.750 273 E HN 0.240 nan 8.360 nan 0.000 0.458 274 L N 0.720 122.015 121.223 0.120 0.000 2.044 274 L HA -0.110 4.230 4.340 0.000 0.000 0.205 274 L C 2.202 179.137 176.870 0.108 0.000 1.075 274 L CA 1.345 56.215 54.840 0.051 0.000 0.747 274 L CB -0.579 41.413 42.059 -0.112 0.000 0.903 274 L HN 0.150 nan 8.230 nan 0.000 0.435 275 I N -0.445 120.247 120.570 0.203 0.000 2.163 275 I HA -0.313 3.857 4.170 0.000 0.000 0.243 275 I C 1.979 178.258 176.117 0.271 0.000 1.085 275 I CA 1.266 62.727 61.300 0.268 0.000 1.347 275 I CB -0.503 37.706 38.000 0.348 0.000 1.044 275 I HN 0.251 nan 8.210 nan 0.000 0.408 276 D N 0.494 121.037 120.400 0.239 0.000 2.228 276 D HA -0.138 4.502 4.640 0.000 0.000 0.203 276 D C 1.707 178.135 176.300 0.213 0.000 0.988 276 D CA 1.556 55.695 54.000 0.231 0.000 0.864 276 D CB 0.013 40.915 40.800 0.170 0.000 0.928 276 D HN 0.413 nan 8.370 nan 0.000 0.469 277 V N -2.703 117.314 119.914 0.172 0.000 3.253 277 V HA 0.232 4.353 4.120 0.000 0.000 0.320 277 V C 1.555 177.725 176.094 0.127 0.000 1.442 277 V CA -0.175 62.214 62.300 0.148 0.000 1.097 277 V CB 0.509 32.398 31.823 0.111 0.000 1.008 277 V HN -0.093 nan 8.190 nan 0.000 0.463 278 E N 0.729 120.989 120.200 0.100 0.000 2.085 278 E HA -0.241 4.109 4.350 0.000 0.000 0.194 278 E C 1.539 178.018 176.600 -0.201 0.000 0.994 278 E CA 2.544 58.930 56.400 -0.023 0.000 0.801 278 E CB -0.151 29.439 29.700 -0.185 0.000 0.743 278 E HN 0.829 nan 8.360 nan 0.000 0.453 279 W N 0.929 122.206 121.300 -0.039 0.000 2.519 279 W HA 0.007 4.667 4.660 0.000 0.000 0.266 279 W C 1.622 178.091 176.519 -0.083 0.000 1.253 279 W CA 0.051 57.328 57.345 -0.113 0.000 1.274 279 W CB -0.119 29.239 29.460 -0.169 0.000 1.114 279 W HN 0.049 nan 8.180 nan 0.000 0.596 280 N N 0.579 119.363 118.700 0.140 0.000 2.626 280 N HA -0.083 4.657 4.740 0.000 0.000 0.193 280 N C 1.429 176.956 175.510 0.027 0.000 1.213 280 N CA 1.266 54.364 53.050 0.081 0.000 0.914 280 N CB -0.287 38.249 38.487 0.082 0.000 0.994 280 N HN 0.291 nan 8.380 nan 0.000 0.447 281 V N -3.196 116.702 119.914 -0.027 0.000 3.528 281 V HA 0.303 4.423 4.120 0.000 0.000 0.294 281 V C 0.632 176.665 176.094 -0.103 0.000 1.404 281 V CA -0.200 62.058 62.300 -0.069 0.000 1.065 281 V CB -0.204 31.551 31.823 -0.113 0.000 0.904 281 V HN -0.055 nan 8.190 nan 0.000 0.435 282 L N 3.620 124.791 121.223 -0.086 0.000 2.410 282 L HA 0.345 4.686 4.340 0.000 0.000 0.273 282 L C -0.896 175.944 176.870 -0.050 0.000 1.152 282 L CA -1.234 53.556 54.840 -0.083 0.000 0.855 282 L CB 0.479 42.512 42.059 -0.043 0.000 1.129 282 L HN 0.298 nan 8.230 nan 0.000 0.463 291 S N 0.796 116.331 115.700 -0.274 0.000 2.365 291 S HA -0.097 4.374 4.470 0.000 0.000 0.221 291 S C 0.072 174.235 174.600 -0.729 0.000 1.037 291 S CA 1.498 59.331 58.200 -0.613 0.000 1.060 291 S CB -0.164 62.496 63.200 -0.900 0.000 0.974 291 S HN 0.357 nan 8.310 nan 0.000 0.427 292 F N 1.178 121.150 119.950 0.037 0.000 2.402 292 F HA 0.581 5.109 4.527 0.000 0.000 0.355 292 F C 0.075 175.925 175.800 0.084 0.000 1.123 292 F CA -0.963 57.094 58.000 0.095 0.000 1.021 292 F CB 1.228 40.318 39.000 0.151 0.000 1.160 292 F HN -0.045 nan 8.300 nan 0.000 0.451 293 V N 0.717 120.641 119.914 0.017 0.000 3.156 293 V HA 0.756 4.876 4.120 0.000 0.000 0.310 293 V C -2.909 172.853 176.094 -0.553 0.000 1.234 293 V CA -3.335 58.653 62.300 -0.519 0.000 1.065 293 V CB 1.915 33.604 31.823 -0.224 0.000 1.088 293 V HN 0.297 nan 8.190 nan 0.000 0.451 294 P HA 0.202 nan 4.420 nan 0.000 0.266 294 P C -0.675 176.532 177.300 -0.154 0.000 1.186 294 P CA 0.398 63.254 63.100 -0.406 0.000 0.767 294 P CB 0.335 31.715 31.700 -0.532 0.000 0.820 295 V N 1.744 121.668 119.914 0.016 0.000 2.628 295 V HA 0.398 4.519 4.120 0.000 0.000 0.306 295 V C 0.103 176.249 176.094 0.087 0.000 1.045 295 V CA -0.858 61.440 62.300 -0.003 0.000 0.905 295 V CB 1.798 33.620 31.823 -0.001 0.000 0.997 295 V HN 0.237 nan 8.190 nan 0.000 0.436 296 I N 4.706 125.250 120.570 -0.043 0.000 2.293 296 I HA 0.197 4.367 4.170 0.000 0.000 0.299 296 I C 0.848 176.952 176.117 -0.023 0.000 1.153 296 I CA 0.109 61.401 61.300 -0.012 0.000 1.302 296 I CB -0.044 37.864 38.000 -0.153 0.000 1.460 296 I HN 0.956 nan 8.210 nan 0.000 0.552 297 D N 3.219 123.647 120.400 0.046 0.000 2.367 297 D HA 0.074 4.715 4.640 0.000 0.000 0.207 297 D C 1.408 177.664 176.300 -0.074 0.000 1.034 297 D CA 0.823 54.722 54.000 -0.168 0.000 0.861 297 D CB 0.581 41.339 40.800 -0.070 0.000 0.943 297 D HN 0.628 nan 8.370 nan 0.000 0.515 298 G N 0.428 109.270 108.800 0.070 0.000 2.217 298 G HA2 -0.343 3.617 3.960 0.000 0.000 0.246 298 G HA3 -0.343 3.617 3.960 0.000 0.000 0.246 298 G C 0.922 175.885 174.900 0.105 0.000 0.990 298 G CA 0.559 45.712 45.100 0.089 0.000 0.627 298 G HN 0.476 nan 8.290 nan 0.000 0.522 299 E N -1.194 119.078 120.200 0.120 0.000 2.307 299 E HA 0.379 4.729 4.350 0.000 0.000 0.192 299 E C 1.878 178.509 176.600 0.052 0.000 0.967 299 E CA -0.020 56.436 56.400 0.093 0.000 1.042 299 E CB -0.073 29.700 29.700 0.122 0.000 1.126 299 E HN 0.246 nan 8.360 nan 0.000 0.484 300 F N 0.967 120.840 119.950 -0.128 0.000 2.171 300 F HA -0.006 4.522 4.527 0.000 0.000 0.300 300 F C 0.160 175.691 175.800 -0.449 0.000 1.090 300 F CA 1.029 58.827 58.000 -0.337 0.000 1.293 300 F CB 0.305 38.997 39.000 -0.512 0.000 1.013 300 F HN -0.150 nan 8.300 nan 0.000 0.486 301 F N 1.742 121.837 119.950 0.242 0.000 2.403 301 F HA 0.348 4.875 4.527 0.000 0.000 0.355 301 F C -1.418 174.417 175.800 0.059 0.000 1.119 301 F CA -2.955 55.124 58.000 0.132 0.000 1.007 301 F CB 0.610 39.675 39.000 0.108 0.000 1.194 301 F HN -0.235 nan 8.300 nan 0.000 0.443 302 P HA -0.098 nan 4.420 nan 0.000 0.215 302 P C 0.490 177.850 177.300 0.100 0.000 1.153 302 P CA 1.558 64.721 63.100 0.104 0.000 0.853 302 P CB 0.273 32.009 31.700 0.059 0.000 0.788 303 T N -4.068 110.550 114.554 0.107 0.000 2.645 303 T HA 0.438 4.788 4.350 0.000 0.000 0.273 303 T C 0.030 174.761 174.700 0.051 0.000 0.960 303 T CA -0.493 61.646 62.100 0.065 0.000 1.051 303 T CB 0.834 69.728 68.868 0.042 0.000 1.366 303 T HN 0.111 nan 8.240 nan 0.000 0.536 304 S N -0.045 115.660 115.700 0.009 0.000 2.566 304 S HA 0.137 4.607 4.470 0.000 0.000 0.280 304 S C 1.480 176.061 174.600 -0.032 0.000 1.343 304 S CA -0.676 57.502 58.200 -0.035 0.000 1.036 304 S CB -0.435 62.747 63.200 -0.029 0.000 0.866 304 S HN 0.645 nan 8.310 nan 0.000 0.526 305 L N 0.568 121.729 121.223 -0.104 0.000 2.083 305 L HA -0.102 4.239 4.340 0.000 0.000 0.209 305 L C 2.924 179.812 176.870 0.030 0.000 1.083 305 L CA 1.883 56.680 54.840 -0.071 0.000 0.752 305 L CB -0.785 41.169 42.059 -0.175 0.000 0.899 305 L HN 0.788 nan 8.230 nan 0.000 0.433 306 E N 0.722 120.939 120.200 0.029 0.000 2.031 306 E HA -0.203 4.147 4.350 0.000 0.000 0.193 306 E C 2.317 178.969 176.600 0.086 0.000 0.994 306 E CA 1.837 58.290 56.400 0.088 0.000 0.800 306 E CB -0.153 29.587 29.700 0.066 0.000 0.752 306 E HN 0.441 nan 8.360 nan 0.000 0.447 307 S N -0.414 115.319 115.700 0.054 0.000 2.399 307 S HA -0.174 4.296 4.470 0.000 0.000 0.231 307 S C 2.140 176.774 174.600 0.057 0.000 1.022 307 S CA 1.386 59.615 58.200 0.049 0.000 0.983 307 S CB -0.383 62.834 63.200 0.029 0.000 0.803 307 S HN 0.269 nan 8.310 nan 0.000 0.480 308 M N 0.818 120.466 119.600 0.081 0.000 2.132 308 M HA 0.056 4.536 4.480 0.000 0.000 0.263 308 M C 2.202 178.620 176.300 0.196 0.000 1.065 308 M CA 1.350 56.721 55.300 0.119 0.000 1.122 308 M CB -0.625 32.079 32.600 0.173 0.000 1.365 308 M HN 0.317 nan 8.290 nan 0.000 0.411 309 L N 0.025 121.374 121.223 0.210 0.000 2.141 309 L HA -0.210 4.130 4.340 0.000 0.000 0.209 309 L C 2.158 179.160 176.870 0.221 0.000 1.094 309 L CA 0.761 55.764 54.840 0.271 0.000 0.763 309 L CB -0.730 41.417 42.059 0.146 0.000 0.908 309 L HN 0.361 nan 8.230 nan 0.000 0.437 310 N N -0.247 118.534 118.700 0.134 0.000 2.135 310 N HA -0.125 4.615 4.740 0.000 0.000 0.186 310 N C 2.008 177.548 175.510 0.049 0.000 1.027 310 N CA 1.710 54.842 53.050 0.135 0.000 0.849 310 N CB -0.339 38.212 38.487 0.106 0.000 1.002 310 N HN 0.307 nan 8.380 nan 0.000 0.425 311 S N -0.391 115.268 115.700 -0.069 0.000 2.555 311 S HA 0.117 4.588 4.470 0.000 0.000 0.230 311 S C 1.446 175.657 174.600 -0.648 0.000 0.978 311 S CA 0.660 58.735 58.200 -0.208 0.000 0.934 311 S CB -0.357 62.764 63.200 -0.133 0.000 0.766 311 S HN 0.471 nan 8.310 nan 0.000 0.533 312 G N 1.809 110.020 108.800 -0.981 0.000 2.176 312 G HA2 -0.290 3.671 3.960 0.000 0.000 0.252 312 G HA3 -0.290 3.671 3.960 0.000 0.000 0.252 312 G C -0.022 174.100 174.900 -1.296 0.000 1.024 312 G CA 0.080 44.033 45.100 -1.912 0.000 0.755 312 G HN 0.595 nan 8.290 nan 0.000 0.507 313 N N 0.594 118.945 118.700 -0.582 0.000 3.050 313 N HA 0.503 5.243 4.740 0.000 0.000 0.289 313 N C -0.130 175.370 175.510 -0.016 0.000 1.209 313 N CA -0.026 52.869 53.050 -0.258 0.000 1.154 313 N CB -0.888 37.553 38.487 -0.077 0.000 1.444 313 N HN 0.789 nan 8.380 nan 0.000 0.529 314 F N -1.192 118.714 119.950 -0.073 0.000 2.842 314 F HA 0.370 4.898 4.527 0.000 0.000 0.319 314 F C -0.492 175.337 175.800 0.049 0.000 1.159 314 F CA -1.457 56.565 58.000 0.037 0.000 0.902 314 F CB 0.524 39.602 39.000 0.130 0.000 1.311 314 F HN -0.133 nan 8.300 nan 0.000 0.453 315 K N 1.613 122.298 120.400 0.476 0.000 2.451 315 K HA 0.184 4.504 4.320 0.000 0.000 0.280 315 K C -0.963 175.918 176.600 0.468 0.000 1.020 315 K CA -0.129 56.348 56.287 0.316 0.000 1.008 315 K CB 0.514 33.140 32.500 0.209 0.000 0.917 315 K HN 0.632 nan 8.250 nan 0.000 0.478 316 K N 2.633 123.160 120.400 0.212 0.000 2.264 316 K HA 0.222 4.542 4.320 0.000 0.000 0.277 316 K C -0.415 176.306 176.600 0.201 0.000 1.067 316 K CA -0.133 56.263 56.287 0.181 0.000 0.900 316 K CB 1.637 34.152 32.500 0.025 0.000 1.124 316 K HN 0.740 nan 8.250 nan 0.000 0.469 317 T N 1.370 116.126 114.554 0.337 0.000 2.646 317 T HA 0.312 4.663 4.350 0.000 0.000 0.297 317 T C -1.435 173.468 174.700 0.339 0.000 1.363 317 T CA -0.617 61.637 62.100 0.257 0.000 1.056 317 T CB 0.453 69.437 68.868 0.193 0.000 1.779 317 T HN 0.356 nan 8.240 nan 0.000 0.459 318 Q N 0.948 120.917 119.800 0.281 0.000 2.222 318 Q HA 0.762 5.102 4.340 0.000 0.000 0.252 318 Q C -0.415 175.882 176.000 0.496 0.000 0.926 318 Q CA -0.446 55.584 55.803 0.377 0.000 0.899 318 Q CB 1.311 30.241 28.738 0.321 0.000 1.250 318 Q HN 0.670 nan 8.270 nan 0.000 0.441 319 I N -1.421 119.395 120.570 0.410 0.000 2.722 319 I HA 0.661 4.831 4.170 0.000 0.000 0.295 319 I C -1.586 174.436 176.117 -0.158 0.000 1.161 319 I CA -1.317 60.071 61.300 0.146 0.000 1.032 319 I CB 1.778 39.712 38.000 -0.110 0.000 1.244 319 I HN 0.533 nan 8.210 nan 0.000 0.421 320 L N 7.426 128.290 121.223 -0.598 0.000 2.349 320 L HA 0.813 5.153 4.340 0.000 0.000 0.278 320 L C -1.249 175.398 176.870 -0.371 0.000 0.996 320 L CA -0.482 53.909 54.840 -0.749 0.000 0.825 320 L CB 1.539 42.585 42.059 -1.689 0.000 1.243 320 L HN 0.848 nan 8.230 nan 0.000 0.412 321 L N 2.608 123.759 121.223 -0.120 0.000 2.600 321 L HA 1.125 5.465 4.340 0.000 0.000 0.257 321 L C -0.738 175.918 176.870 -0.357 0.000 1.048 321 L CA -0.388 54.391 54.840 -0.103 0.000 0.869 321 L CB 1.938 43.935 42.059 -0.104 0.000 1.482 321 L HN 0.672 nan 8.230 nan 0.000 0.408 322 G N -0.090 108.281 108.800 -0.716 0.000 2.342 322 G HA2 0.553 4.513 3.960 0.000 0.000 0.297 322 G HA3 0.553 4.513 3.960 0.000 0.000 0.297 322 G C -1.556 172.975 174.900 -0.615 0.000 1.313 322 G CA -0.000 44.416 45.100 -1.141 0.000 0.830 322 G HN 1.468 nan 8.290 nan 0.000 0.506 323 V N -2.351 117.389 119.914 -0.291 0.000 3.141 323 V HA 0.879 4.999 4.120 0.000 0.000 0.312 323 V C -0.783 175.401 176.094 0.150 0.000 1.157 323 V CA -1.420 60.913 62.300 0.056 0.000 1.041 323 V CB 1.943 33.839 31.823 0.122 0.000 1.071 323 V HN 0.675 nan 8.190 nan 0.000 0.441 324 N N 0.788 119.573 118.700 0.142 0.000 2.472 324 N HA 0.421 5.162 4.740 0.000 0.000 0.289 324 N C 0.589 176.032 175.510 -0.112 0.000 1.156 324 N CA -0.536 52.563 53.050 0.081 0.000 0.940 324 N CB 1.742 40.366 38.487 0.228 0.000 1.200 324 N HN 0.922 nan 8.380 nan 0.000 0.511 325 K N 0.133 120.357 120.400 -0.292 0.000 2.057 325 K HA -0.065 4.255 4.320 0.000 0.000 0.207 325 K C -0.610 176.078 176.600 0.147 0.000 1.049 325 K CA 1.289 57.509 56.287 -0.111 0.000 0.931 325 K CB 0.177 32.642 32.500 -0.059 0.000 0.714 325 K HN 0.530 nan 8.250 nan 0.000 0.440 326 D N 1.464 121.932 120.400 0.113 0.000 2.683 326 D HA 0.029 4.670 4.640 0.000 0.000 0.309 326 D C 0.127 176.514 176.300 0.145 0.000 1.238 326 D CA -0.088 53.989 54.000 0.130 0.000 0.936 326 D CB 1.337 42.182 40.800 0.075 0.000 1.001 326 D HN 0.167 nan 8.370 nan 0.000 0.505 327 E N 0.596 120.909 120.200 0.188 0.000 2.153 327 E HA -0.109 4.241 4.350 0.000 0.000 0.194 327 E C 1.964 178.677 176.600 0.189 0.000 0.988 327 E CA 0.587 57.131 56.400 0.240 0.000 0.811 327 E CB 0.079 29.918 29.700 0.231 0.000 0.746 327 E HN 0.456 nan 8.360 nan 0.000 0.466 328 G N 0.763 109.648 108.800 0.143 0.000 2.939 328 G HA2 -0.109 3.851 3.960 0.000 0.000 0.210 328 G HA3 -0.109 3.851 3.960 0.000 0.000 0.210 328 G C 1.650 176.599 174.900 0.082 0.000 1.160 328 G CA 0.654 45.838 45.100 0.140 0.000 0.770 328 G HN 0.333 nan 8.290 nan 0.000 0.543 329 S N 0.619 116.330 115.700 0.019 0.000 2.368 329 S HA -0.112 4.359 4.470 0.000 0.000 0.225 329 S C 2.037 176.537 174.600 -0.167 0.000 1.030 329 S CA 0.724 58.884 58.200 -0.067 0.000 0.999 329 S CB -0.515 62.563 63.200 -0.203 0.000 0.844 329 S HN 0.110 nan 8.310 nan 0.000 0.459 330 F N 2.255 121.934 119.950 -0.452 0.000 2.091 330 F HA 0.023 4.550 4.527 0.000 0.000 0.299 330 F C 1.799 177.243 175.800 -0.594 0.000 1.103 330 F CA 0.451 58.062 58.000 -0.648 0.000 1.228 330 F CB -0.911 37.554 39.000 -0.891 0.000 0.984 330 F HN 0.195 nan 8.300 nan 0.000 0.477 331 F N -0.871 119.101 119.950 0.036 0.000 2.502 331 F HA -0.063 4.464 4.527 0.000 0.000 0.298 331 F C 2.150 177.943 175.800 -0.012 0.000 1.111 331 F CA 0.489 58.470 58.000 -0.031 0.000 1.445 331 F CB -0.738 38.171 39.000 -0.152 0.000 1.081 331 F HN -0.093 nan 8.300 nan 0.000 0.558 332 L N -0.890 120.302 121.223 -0.053 0.000 2.131 332 L HA -0.125 4.215 4.340 0.000 0.000 0.206 332 L C 2.388 179.129 176.870 -0.217 0.000 1.087 332 L CA 0.356 54.974 54.840 -0.370 0.000 0.767 332 L CB -0.515 40.913 42.059 -1.051 0.000 0.917 332 L HN 0.139 nan 8.230 nan 0.000 0.441 333 L N -0.816 120.426 121.223 0.032 0.000 2.012 333 L HA -0.267 4.073 4.340 0.000 0.000 0.210 333 L C 2.360 179.396 176.870 0.277 0.000 1.073 333 L CA 2.090 57.110 54.840 0.300 0.000 0.748 333 L CB -0.629 41.607 42.059 0.296 0.000 0.891 333 L HN 0.117 nan 8.230 nan 0.000 0.431 334 Y N -0.832 119.567 120.300 0.165 0.000 2.286 334 Y HA 0.123 4.673 4.550 0.000 0.000 0.293 334 Y C 2.297 178.243 175.900 0.077 0.000 1.124 334 Y CA 1.254 59.435 58.100 0.135 0.000 1.178 334 Y CB -0.412 38.104 38.460 0.094 0.000 1.010 334 Y HN 0.268 nan 8.280 nan 0.000 0.536 335 G N -1.662 107.267 108.800 0.215 0.000 3.528 335 G HA2 0.497 4.457 3.960 0.000 0.000 0.266 335 G HA3 0.497 4.457 3.960 0.000 0.000 0.266 335 G C -0.201 174.774 174.900 0.125 0.000 1.004 335 G CA 0.409 45.585 45.100 0.127 0.000 0.853 335 G HN 0.293 nan 8.290 nan 0.000 0.501 336 A N 1.224 124.164 122.820 0.200 0.000 2.355 336 A HA 0.844 5.165 4.320 0.000 0.000 0.324 336 A C -2.672 175.106 177.584 0.324 0.000 1.117 336 A CA -1.627 50.574 52.037 0.272 0.000 0.785 336 A CB 1.627 20.845 19.000 0.362 0.000 1.254 336 A HN 0.038 nan 8.150 nan 0.000 0.453 337 P HA 0.297 nan 4.420 nan 0.000 0.271 337 P C 0.798 178.058 177.300 -0.067 0.000 1.220 337 P CA 1.412 64.546 63.100 0.056 0.000 0.768 337 P CB 1.053 32.765 31.700 0.019 0.000 0.848 338 G N 1.875 110.600 108.800 -0.124 0.000 2.194 338 G HA2 -0.216 3.744 3.960 0.000 0.000 0.236 338 G HA3 -0.216 3.744 3.960 0.000 0.000 0.236 338 G C -0.260 174.353 174.900 -0.479 0.000 0.987 338 G CA -0.514 44.397 45.100 -0.316 0.000 0.635 338 G HN 0.419 nan 8.290 nan 0.000 0.520 339 F N 1.819 121.741 119.950 -0.048 0.000 2.399 339 F HA 0.750 5.277 4.527 0.000 0.000 0.334 339 F C 0.729 176.566 175.800 0.062 0.000 1.097 339 F CA -0.327 57.644 58.000 -0.048 0.000 1.076 339 F CB 2.187 41.224 39.000 0.061 0.000 1.162 339 F HN 0.040 nan 8.300 nan 0.000 0.495 340 S N 1.160 117.034 115.700 0.289 0.000 2.556 340 S HA 0.253 4.723 4.470 0.000 0.000 0.271 340 S C 0.420 175.254 174.600 0.389 0.000 1.135 340 S CA -1.119 57.246 58.200 0.276 0.000 0.858 340 S CB 2.196 65.474 63.200 0.129 0.000 1.114 340 S HN 0.716 nan 8.310 nan 0.000 0.468 341 K N 0.678 121.214 120.400 0.227 0.000 2.296 341 K HA 0.028 4.348 4.320 0.000 0.000 0.200 341 K C -0.096 176.512 176.600 0.013 0.000 1.048 341 K CA 1.116 57.438 56.287 0.057 0.000 0.966 341 K CB 0.079 32.326 32.500 -0.423 0.000 0.754 341 K HN 0.525 nan 8.250 nan 0.000 0.466 342 D N 0.301 120.718 120.400 0.029 0.000 2.398 342 D HA 0.012 4.652 4.640 0.000 0.000 0.210 342 D C 0.037 176.370 176.300 0.056 0.000 1.094 342 D CA 0.133 54.136 54.000 0.005 0.000 0.839 342 D CB 0.973 41.752 40.800 -0.036 0.000 0.963 342 D HN 0.042 nan 8.370 nan 0.000 0.506 343 S N 0.009 115.775 115.700 0.110 0.000 2.689 343 S HA 0.178 4.648 4.470 0.000 0.000 0.306 343 S C 0.766 175.424 174.600 0.097 0.000 1.104 343 S CA -0.569 57.669 58.200 0.062 0.000 0.973 343 S CB 2.727 65.926 63.200 -0.002 0.000 1.121 343 S HN -0.050 nan 8.310 nan 0.000 0.523 344 E N 0.915 121.114 120.200 -0.002 0.000 2.427 344 E HA 0.064 4.414 4.350 0.000 0.000 0.196 344 E C -0.394 175.967 176.600 -0.398 0.000 1.028 344 E CA 0.533 56.911 56.400 -0.036 0.000 0.864 344 E CB -0.084 29.605 29.700 -0.018 0.000 0.813 344 E HN 0.708 nan 8.360 nan 0.000 0.514 345 S N 0.779 116.233 115.700 -0.409 0.000 3.697 345 S HA -0.158 4.312 4.470 0.000 0.000 0.388 345 S C -0.440 173.834 174.600 -0.543 0.000 0.941 345 S CA 0.655 58.501 58.200 -0.590 0.000 1.247 345 S CB -1.136 61.427 63.200 -1.061 0.000 0.904 345 S HN 0.303 nan 8.310 nan 0.000 0.518 346 K N 1.022 121.217 120.400 -0.341 0.000 2.350 346 K HA 0.322 4.642 4.320 0.000 0.000 0.279 346 K C 0.318 176.732 176.600 -0.310 0.000 1.027 346 K CA -0.156 55.972 56.287 -0.265 0.000 0.969 346 K CB 0.377 32.777 32.500 -0.167 0.000 0.954 346 K HN 0.208 nan 8.250 nan 0.000 0.474 347 I N 2.742 123.146 120.570 -0.276 0.000 2.339 347 I HA 0.084 4.255 4.170 0.000 0.000 0.290 347 I C 0.871 176.908 176.117 -0.133 0.000 0.994 347 I CA -0.534 60.606 61.300 -0.265 0.000 1.191 347 I CB 0.756 38.604 38.000 -0.253 0.000 1.343 347 I HN 0.688 nan 8.210 nan 0.000 0.458 348 S N 6.191 121.822 115.700 -0.116 0.000 2.606 348 S HA 0.145 4.615 4.470 0.000 0.000 0.257 348 S C 1.186 175.779 174.600 -0.011 0.000 1.327 348 S CA -0.114 58.047 58.200 -0.065 0.000 0.984 348 S CB 1.228 64.394 63.200 -0.056 0.000 0.941 348 S HN 0.657 nan 8.310 nan 0.000 0.576 349 R N 0.455 120.952 120.500 -0.005 0.000 2.119 349 R HA 0.055 4.395 4.340 0.000 0.000 0.222 349 R C 2.254 178.612 176.300 0.097 0.000 1.088 349 R CA 1.825 57.944 56.100 0.032 0.000 0.984 349 R CB -0.741 29.556 30.300 -0.004 0.000 0.884 349 R HN 0.915 nan 8.270 nan 0.000 0.447 350 E N -0.149 120.083 120.200 0.053 0.000 2.072 350 E HA -0.179 4.171 4.350 0.000 0.000 0.191 350 E C 0.719 177.349 176.600 0.049 0.000 0.985 350 E CA 1.491 57.922 56.400 0.051 0.000 0.801 350 E CB 0.007 29.720 29.700 0.022 0.000 0.750 350 E HN 0.342 nan 8.360 nan 0.000 0.452 351 D N -0.106 120.313 120.400 0.030 0.000 2.149 351 D HA -0.117 4.523 4.640 0.000 0.000 0.201 351 D C 1.618 177.942 176.300 0.040 0.000 0.972 351 D CA 0.528 54.531 54.000 0.006 0.000 0.835 351 D CB -0.336 40.425 40.800 -0.064 0.000 0.966 351 D HN 0.219 nan 8.370 nan 0.000 0.476 352 F N 1.320 121.246 119.950 -0.039 0.000 2.134 352 F HA -0.222 4.305 4.527 0.000 0.000 0.299 352 F C 2.117 177.927 175.800 0.016 0.000 1.097 352 F CA 1.186 59.180 58.000 -0.010 0.000 1.264 352 F CB -0.060 38.917 39.000 -0.037 0.000 1.001 352 F HN -0.207 nan 8.300 nan 0.000 0.479 353 M N 0.614 120.294 119.600 0.133 0.000 2.084 353 M HA -0.209 4.271 4.480 0.000 0.000 0.259 353 M C 2.724 178.992 176.300 -0.054 0.000 1.072 353 M CA 2.129 57.463 55.300 0.057 0.000 1.107 353 M CB -1.991 30.681 32.600 0.119 0.000 1.299 353 M HN 0.397 nan 8.290 nan 0.000 0.413 354 S N -0.126 115.562 115.700 -0.020 0.000 2.399 354 S HA -0.083 4.388 4.470 0.000 0.000 0.231 354 S C 2.095 176.664 174.600 -0.052 0.000 1.022 354 S CA 1.411 59.597 58.200 -0.024 0.000 0.983 354 S CB -1.304 61.895 63.200 -0.002 0.000 0.803 354 S HN 0.542 nan 8.310 nan 0.000 0.480 355 G N 1.362 110.110 108.800 -0.087 0.000 2.432 355 G HA2 -0.110 3.850 3.960 0.000 0.000 0.219 355 G HA3 -0.110 3.850 3.960 0.000 0.000 0.219 355 G C 1.567 176.366 174.900 -0.168 0.000 1.135 355 G CA 0.986 46.032 45.100 -0.089 0.000 0.767 355 G HN 0.881 nan 8.290 nan 0.000 0.550 356 V N -0.688 119.056 119.914 -0.283 0.000 2.591 356 V HA 0.108 4.229 4.120 0.000 0.000 0.249 356 V C 2.451 178.486 176.094 -0.099 0.000 1.053 356 V CA 2.235 64.401 62.300 -0.224 0.000 1.068 356 V CB -0.234 31.435 31.823 -0.258 0.000 0.689 356 V HN 0.117 nan 8.190 nan 0.000 0.462 357 K N 0.265 120.618 120.400 -0.080 0.000 2.063 357 K HA -0.109 4.211 4.320 0.000 0.000 0.208 357 K C 1.990 178.567 176.600 -0.038 0.000 1.048 357 K CA 1.898 58.158 56.287 -0.045 0.000 0.928 357 K CB -0.850 31.633 32.500 -0.029 0.000 0.713 357 K HN 0.501 nan 8.250 nan 0.000 0.442 358 L N 0.608 121.809 121.223 -0.035 0.000 2.179 358 L HA 0.019 4.359 4.340 0.000 0.000 0.208 358 L C 2.171 179.031 176.870 -0.016 0.000 1.096 358 L CA 1.364 56.191 54.840 -0.021 0.000 0.779 358 L CB -0.937 41.116 42.059 -0.010 0.000 0.922 358 L HN 0.035 nan 8.230 nan 0.000 0.443 359 S N -1.325 114.362 115.700 -0.023 0.000 2.428 359 S HA 0.008 4.479 4.470 0.000 0.000 0.230 359 S C 1.008 175.634 174.600 0.044 0.000 1.014 359 S CA 0.467 58.667 58.200 0.001 0.000 0.957 359 S CB 0.171 63.357 63.200 -0.023 0.000 0.784 359 S HN 0.155 nan 8.310 nan 0.000 0.499 360 V N 3.411 123.318 119.914 -0.011 0.000 2.361 360 V HA 0.193 4.313 4.120 0.000 0.000 0.252 360 V C -1.633 174.397 176.094 -0.107 0.000 0.986 360 V CA -1.360 60.885 62.300 -0.092 0.000 1.033 360 V CB 0.896 32.627 31.823 -0.153 0.000 1.282 360 V HN 0.199 nan 8.190 nan 0.000 0.514 361 P HA -0.219 nan 4.420 nan 0.000 0.216 361 P C 1.257 178.581 177.300 0.039 0.000 1.150 361 P CA 1.693 64.818 63.100 0.042 0.000 0.843 361 P CB 0.024 31.765 31.700 0.067 0.000 0.787 362 H N -0.748 118.322 119.070 0.001 0.000 2.551 362 H HA 0.401 4.957 4.556 0.000 0.000 0.266 362 H C 0.591 175.913 175.328 -0.011 0.000 0.977 362 H CA 0.068 56.113 56.048 -0.005 0.000 1.163 362 H CB -0.637 29.128 29.762 0.006 0.000 1.381 362 H HN 0.005 nan 8.280 nan 0.000 0.581 363 A N 2.128 124.707 122.820 -0.403 0.000 2.302 363 A HA 0.304 4.624 4.320 0.000 0.000 0.285 363 A C 0.342 177.852 177.584 -0.122 0.000 1.105 363 A CA -0.371 51.502 52.037 -0.273 0.000 0.816 363 A CB 0.528 19.343 19.000 -0.308 0.000 1.067 363 A HN 0.660 nan 8.150 nan 0.000 0.489 364 N N 0.344 118.994 118.700 -0.083 0.000 2.374 364 N HA 0.137 4.877 4.740 0.000 0.000 0.284 364 N C 0.335 175.824 175.510 -0.034 0.000 1.280 364 N CA 0.155 53.177 53.050 -0.046 0.000 0.963 364 N CB -0.287 38.179 38.487 -0.035 0.000 1.141 364 N HN 0.340 nan 8.380 nan 0.000 0.565 365 D N -1.415 118.975 120.400 -0.015 0.000 2.178 365 D HA -0.097 4.543 4.640 0.000 0.000 0.202 365 D C 1.806 178.115 176.300 0.014 0.000 0.974 365 D CA 0.703 54.704 54.000 0.002 0.000 0.841 365 D CB -0.300 40.505 40.800 0.007 0.000 0.953 365 D HN 0.435 nan 8.370 nan 0.000 0.478 366 L N 1.033 122.261 121.223 0.007 0.000 2.056 366 L HA 0.143 4.483 4.340 0.000 0.000 0.207 366 L C 2.572 179.462 176.870 0.033 0.000 1.078 366 L CA 2.005 56.858 54.840 0.023 0.000 0.749 366 L CB -1.147 40.917 42.059 0.007 0.000 0.901 366 L HN 0.191 nan 8.230 nan 0.000 0.433 367 G N -0.686 108.110 108.800 -0.008 0.000 2.408 367 G HA2 -0.203 3.757 3.960 0.000 0.000 0.217 367 G HA3 -0.203 3.757 3.960 0.000 0.000 0.217 367 G C 1.607 176.527 174.900 0.032 0.000 1.150 367 G CA 0.931 46.020 45.100 -0.018 0.000 0.776 367 G HN 0.411 nan 8.290 nan 0.000 0.542 368 L N 0.327 121.561 121.223 0.018 0.000 2.056 368 L HA -0.047 4.293 4.340 0.000 0.000 0.207 368 L C 2.514 179.440 176.870 0.094 0.000 1.078 368 L CA 1.080 55.944 54.840 0.040 0.000 0.749 368 L CB -0.372 41.697 42.059 0.017 0.000 0.901 368 L HN 0.091 nan 8.230 nan 0.000 0.433 369 D N 0.274 120.732 120.400 0.098 0.000 2.117 369 D HA -0.164 4.476 4.640 0.000 0.000 0.197 369 D C 2.218 178.616 176.300 0.162 0.000 0.987 369 D CA 1.489 55.567 54.000 0.129 0.000 0.829 369 D CB -0.049 40.813 40.800 0.104 0.000 0.961 369 D HN 0.295 nan 8.370 nan 0.000 0.460 370 A N 0.607 123.536 122.820 0.183 0.000 1.865 370 A HA -0.187 4.133 4.320 0.000 0.000 0.217 370 A C 2.574 180.295 177.584 0.228 0.000 1.191 370 A CA 1.740 53.942 52.037 0.275 0.000 0.623 370 A CB -0.925 18.319 19.000 0.405 0.000 0.826 370 A HN 0.154 nan 8.150 nan 0.000 0.444 371 V N -0.173 119.887 119.914 0.243 0.000 2.295 371 V HA -0.254 3.866 4.120 0.000 0.000 0.246 371 V C 2.766 178.971 176.094 0.186 0.000 1.049 371 V CA 2.536 64.927 62.300 0.151 0.000 1.024 371 V CB -1.430 30.490 31.823 0.162 0.000 0.648 371 V HN 0.644 nan 8.190 nan 0.000 0.447 372 T N 0.611 115.293 114.554 0.213 0.000 2.635 372 T HA -0.247 4.104 4.350 0.000 0.000 0.267 372 T C 1.908 176.771 174.700 0.272 0.000 1.040 372 T CA 2.052 64.342 62.100 0.316 0.000 1.156 372 T CB -0.455 68.601 68.868 0.314 0.000 0.863 372 T HN 0.293 nan 8.240 nan 0.000 0.430 373 L N 1.245 122.605 121.223 0.228 0.000 2.042 373 L HA -0.084 4.256 4.340 0.000 0.000 0.210 373 L C 2.469 179.366 176.870 0.044 0.000 1.076 373 L CA 1.844 56.819 54.840 0.224 0.000 0.749 373 L CB -0.871 41.292 42.059 0.173 0.000 0.893 373 L HN 0.148 nan 8.230 nan 0.000 0.432 374 Q N -1.645 118.085 119.800 -0.116 0.000 2.364 374 Q HA -0.174 4.167 4.340 0.000 0.000 0.209 374 Q C 0.581 176.313 176.000 -0.445 0.000 0.977 374 Q CA 1.617 57.170 55.803 -0.417 0.000 0.885 374 Q CB -0.110 28.039 28.738 -0.981 0.000 0.941 374 Q HN 0.702 nan 8.270 nan 0.000 0.464 375 Y N -1.637 118.608 120.300 -0.092 0.000 2.707 375 Y HA 0.350 4.900 4.550 0.000 0.000 0.249 375 Y C -0.439 175.398 175.900 -0.105 0.000 1.166 375 Y CA -0.403 57.693 58.100 -0.007 0.000 1.184 375 Y CB 1.185 39.749 38.460 0.174 0.000 1.240 375 Y HN -0.201 nan 8.280 nan 0.000 0.547 376 T N 0.702 115.172 114.554 -0.139 0.000 2.779 376 T HA 0.107 4.457 4.350 0.000 0.000 0.280 376 T C -0.962 173.443 174.700 -0.492 0.000 0.987 376 T CA -0.666 61.136 62.100 -0.498 0.000 0.966 376 T CB 1.263 69.616 68.868 -0.857 0.000 0.933 376 T HN -0.003 nan 8.240 nan 0.000 0.442 377 D N 1.916 122.048 120.400 -0.446 0.000 2.365 377 D HA 0.085 4.726 4.640 0.000 0.000 0.237 377 D C 0.037 176.130 176.300 -0.346 0.000 1.190 377 D CA -0.582 53.255 54.000 -0.272 0.000 0.867 377 D CB 0.498 41.185 40.800 -0.188 0.000 1.050 377 D HN 0.625 nan 8.370 nan 0.000 0.491 378 W N 3.289 124.550 121.300 -0.065 0.000 2.961 378 W HA -0.026 4.634 4.660 0.000 0.000 0.240 378 W C 2.016 178.506 176.519 -0.047 0.000 1.305 378 W CA 0.012 57.324 57.345 -0.056 0.000 1.465 378 W CB 0.053 29.486 29.460 -0.046 0.000 1.135 378 W HN 0.504 nan 8.180 nan 0.000 0.688 379 M N -1.622 118.042 119.600 0.108 0.000 2.431 379 M HA 0.298 4.778 4.480 0.000 0.000 0.237 379 M C -0.291 176.016 176.300 0.012 0.000 1.130 379 M CA 0.939 56.282 55.300 0.072 0.000 1.002 379 M CB 0.358 32.986 32.600 0.047 0.000 1.524 379 M HN -0.209 nan 8.290 nan 0.000 0.482 380 D N 1.627 121.997 120.400 -0.050 0.000 3.404 380 D HA 0.015 4.655 4.640 0.000 0.000 0.329 380 D C 0.295 176.486 176.300 -0.183 0.000 1.421 380 D CA 0.070 54.017 54.000 -0.087 0.000 0.742 380 D CB 0.252 41.005 40.800 -0.078 0.000 1.290 380 D HN 0.346 nan 8.370 nan 0.000 0.600 381 D N -0.787 119.475 120.400 -0.231 0.000 2.309 381 D HA -0.129 4.511 4.640 0.000 0.000 0.212 381 D C 0.671 176.790 176.300 -0.300 0.000 0.968 381 D CA 0.419 54.165 54.000 -0.424 0.000 0.882 381 D CB 0.085 40.506 40.800 -0.632 0.000 0.918 381 D HN 0.180 nan 8.370 nan 0.000 0.503 382 N N 0.448 119.047 118.700 -0.168 0.000 2.268 382 N HA -0.025 4.715 4.740 0.000 0.000 0.204 382 N C -0.165 175.273 175.510 -0.120 0.000 1.124 382 N CA -0.163 52.812 53.050 -0.126 0.000 0.838 382 N CB 0.022 38.468 38.487 -0.067 0.000 0.994 382 N HN 0.403 nan 8.380 nan 0.000 0.489 383 N N 0.237 118.854 118.700 -0.139 0.000 2.431 383 N HA 0.043 4.783 4.740 0.000 0.000 0.265 383 N C 1.432 176.870 175.510 -0.121 0.000 1.184 383 N CA -0.268 52.716 53.050 -0.111 0.000 0.943 383 N CB 0.822 39.247 38.487 -0.103 0.000 1.080 383 N HN 0.033 nan 8.380 nan 0.000 0.477 384 G N 3.904 112.643 108.800 -0.101 0.000 2.422 384 G HA2 -0.195 3.765 3.960 0.000 0.000 0.218 384 G HA3 -0.195 3.765 3.960 0.000 0.000 0.218 384 G C 1.334 176.173 174.900 -0.101 0.000 1.146 384 G CA 0.478 45.512 45.100 -0.110 0.000 0.769 384 G HN 0.674 nan 8.290 nan 0.000 0.547 385 I N 0.008 120.533 120.570 -0.074 0.000 2.353 385 I HA -0.089 4.082 4.170 0.000 0.000 0.248 385 I C 2.744 178.854 176.117 -0.013 0.000 1.119 385 I CA 0.992 62.268 61.300 -0.039 0.000 1.417 385 I CB -0.093 37.897 38.000 -0.016 0.000 1.078 385 I HN 0.135 nan 8.210 nan 0.000 0.421 386 K N 0.504 120.877 120.400 -0.045 0.000 2.148 386 K HA -0.115 4.205 4.320 0.000 0.000 0.204 386 K C 1.816 178.384 176.600 -0.052 0.000 1.050 386 K CA 1.002 57.261 56.287 -0.047 0.000 0.942 386 K CB -0.097 32.341 32.500 -0.104 0.000 0.724 386 K HN 0.296 nan 8.250 nan 0.000 0.446 387 N N 0.946 119.586 118.700 -0.100 0.000 2.142 387 N HA -0.157 4.584 4.740 0.000 0.000 0.186 387 N C 1.733 177.378 175.510 0.225 0.000 1.023 387 N CA 0.918 53.940 53.050 -0.046 0.000 0.852 387 N CB -0.182 38.250 38.487 -0.092 0.000 0.998 387 N HN 0.204 nan 8.380 nan 0.000 0.424 388 R N 1.243 121.811 120.500 0.114 0.000 2.080 388 R HA -0.145 4.195 4.340 0.000 0.000 0.236 388 R C 0.864 177.343 176.300 0.298 0.000 1.137 388 R CA 1.919 58.137 56.100 0.196 0.000 0.943 388 R CB -0.175 30.136 30.300 0.019 0.000 0.846 388 R HN 0.061 nan 8.270 nan 0.000 0.431 389 D N -0.658 119.876 120.400 0.223 0.000 2.178 389 D HA -0.092 4.548 4.640 0.000 0.000 0.201 389 D C 1.698 178.154 176.300 0.259 0.000 0.980 389 D CA 1.468 55.609 54.000 0.235 0.000 0.842 389 D CB -0.486 40.423 40.800 0.181 0.000 0.948 389 D HN 0.553 nan 8.370 nan 0.000 0.472 390 G N 0.227 109.199 108.800 0.287 0.000 2.394 390 G HA2 -0.171 3.789 3.960 0.000 0.000 0.215 390 G HA3 -0.171 3.789 3.960 0.000 0.000 0.215 390 G C 1.470 176.558 174.900 0.313 0.000 1.165 390 G CA 0.101 45.430 45.100 0.381 0.000 0.784 390 G HN 0.163 nan 8.290 nan 0.000 0.535 391 L N 1.074 122.505 121.223 0.347 0.000 2.093 391 L HA 0.016 4.357 4.340 0.000 0.000 0.208 391 L C 2.262 179.194 176.870 0.103 0.000 1.085 391 L CA 1.527 56.453 54.840 0.144 0.000 0.755 391 L CB -0.572 41.621 42.059 0.223 0.000 0.904 391 L HN 0.227 nan 8.230 nan 0.000 0.435 392 D N -0.579 119.930 120.400 0.181 0.000 2.097 392 D HA -0.216 4.424 4.640 0.000 0.000 0.195 392 D C 1.387 177.766 176.300 0.131 0.000 0.989 392 D CA 1.383 55.475 54.000 0.154 0.000 0.827 392 D CB 0.252 41.190 40.800 0.230 0.000 0.966 392 D HN 0.327 nan 8.370 nan 0.000 0.456 393 D N 0.236 120.738 120.400 0.171 0.000 2.144 393 D HA -0.080 4.560 4.640 0.000 0.000 0.200 393 D C 2.330 178.678 176.300 0.079 0.000 0.978 393 D CA 0.280 54.405 54.000 0.208 0.000 0.833 393 D CB -0.146 40.881 40.800 0.379 0.000 0.961 393 D HN 0.374 nan 8.370 nan 0.000 0.470 394 I N 0.459 120.937 120.570 -0.154 0.000 2.179 394 I HA -0.244 3.926 4.170 0.000 0.000 0.242 394 I C 2.433 178.471 176.117 -0.133 0.000 1.088 394 I CA 0.707 61.849 61.300 -0.262 0.000 1.357 394 I CB -0.057 37.766 38.000 -0.296 0.000 1.051 394 I HN -0.119 nan 8.210 nan 0.000 0.409 395 V N 0.644 120.514 119.914 -0.072 0.000 2.307 395 V HA -0.183 3.937 4.120 0.000 0.000 0.245 395 V C 2.525 178.568 176.094 -0.085 0.000 1.045 395 V CA 2.132 64.390 62.300 -0.069 0.000 1.024 395 V CB -1.338 30.474 31.823 -0.019 0.000 0.651 395 V HN 0.571 nan 8.190 nan 0.000 0.449 396 G N -0.437 108.358 108.800 -0.008 0.000 2.408 396 G HA2 -0.217 3.744 3.960 0.000 0.000 0.217 396 G HA3 -0.217 3.744 3.960 0.000 0.000 0.217 396 G C 1.227 176.122 174.900 -0.009 0.000 1.150 396 G CA 0.965 46.083 45.100 0.030 0.000 0.776 396 G HN 0.502 nan 8.290 nan 0.000 0.542 397 D N -0.381 119.996 120.400 -0.039 0.000 2.123 397 D HA -0.047 4.593 4.640 0.000 0.000 0.200 397 D C 2.087 178.098 176.300 -0.482 0.000 0.976 397 D CA 1.080 55.019 54.000 -0.101 0.000 0.831 397 D CB -0.388 40.504 40.800 0.154 0.000 0.974 397 D HN 0.393 nan 8.370 nan 0.000 0.469 398 H N 1.062 119.542 119.070 -0.984 0.000 2.357 398 H HA 0.052 4.608 4.556 0.000 0.000 0.301 398 H C 1.453 176.530 175.328 -0.417 0.000 1.082 398 H CA 1.595 56.970 56.048 -1.121 0.000 1.342 398 H CB 0.074 29.011 29.762 -1.375 0.000 1.389 398 H HN -0.001 nan 8.280 nan 0.000 0.511 399 N N -0.669 117.765 118.700 -0.443 0.000 2.409 399 N HA -0.006 4.734 4.740 0.000 0.000 0.174 399 N C 1.295 176.824 175.510 0.030 0.000 1.037 399 N CA 1.019 53.931 53.050 -0.230 0.000 0.898 399 N CB 0.990 39.359 38.487 -0.196 0.000 1.010 399 N HN 0.251 nan 8.380 nan 0.000 0.445 400 V N 0.848 120.757 119.914 -0.009 0.000 3.097 400 V HA 0.144 4.265 4.120 0.000 0.000 0.223 400 V C 2.154 178.281 176.094 0.055 0.000 1.199 400 V CA 0.010 62.365 62.300 0.091 0.000 1.260 400 V CB -0.083 31.829 31.823 0.149 0.000 1.155 400 V HN -0.058 nan 8.190 nan 0.000 0.509 401 I N 0.548 121.155 120.570 0.062 0.000 2.099 401 I HA -0.304 3.866 4.170 0.000 0.000 0.239 401 I C 2.587 178.744 176.117 0.068 0.000 1.066 401 I CA 1.974 63.321 61.300 0.078 0.000 1.324 401 I CB -0.467 37.611 38.000 0.129 0.000 1.037 401 I HN 0.398 nan 8.210 nan 0.000 0.401 402 c N 0.508 119.146 118.600 0.064 0.000 2.446 402 c HA -0.034 4.537 4.570 0.000 0.000 0.277 402 c C 0.278 174.430 174.090 0.104 0.000 1.275 402 c CA 0.619 57.022 56.329 0.123 0.000 1.727 402 c CB -1.899 40.732 42.510 0.202 0.000 2.010 402 c HN 0.345 nan 8.230 nan 0.000 0.486 403 P HA -0.128 nan 4.420 nan 0.000 0.215 403 P C 1.763 179.113 177.300 0.084 0.000 1.153 403 P CA 1.247 64.357 63.100 0.016 0.000 0.853 403 P CB -0.220 31.418 31.700 -0.104 0.000 0.788 404 L N -1.957 119.296 121.223 0.050 0.000 2.056 404 L HA -0.153 4.188 4.340 0.000 0.000 0.207 404 L C 2.122 179.051 176.870 0.098 0.000 1.078 404 L CA 1.662 56.538 54.840 0.060 0.000 0.749 404 L CB -0.518 41.544 42.059 0.005 0.000 0.901 404 L HN -0.101 nan 8.230 nan 0.000 0.433 405 M N -1.039 118.608 119.600 0.079 0.000 2.159 405 M HA -0.221 4.259 4.480 0.000 0.000 0.263 405 M C 2.247 178.614 176.300 0.112 0.000 1.063 405 M CA 1.643 56.978 55.300 0.057 0.000 1.110 405 M CB -1.577 31.074 32.600 0.086 0.000 1.374 405 M HN 0.429 nan 8.290 nan 0.000 0.411 406 H N -0.079 119.042 119.070 0.084 0.000 2.321 406 H HA -0.187 4.370 4.556 0.000 0.000 0.300 406 H C 1.849 177.234 175.328 0.096 0.000 1.087 406 H CA 2.121 58.225 56.048 0.094 0.000 1.319 406 H CB -0.388 29.429 29.762 0.092 0.000 1.379 406 H HN 0.229 nan 8.280 nan 0.000 0.501 407 F N 0.179 120.110 119.950 -0.032 0.000 2.069 407 F HA -0.219 4.308 4.527 0.000 0.000 0.298 407 F C 2.488 178.220 175.800 -0.113 0.000 1.113 407 F CA 1.625 59.560 58.000 -0.107 0.000 1.214 407 F CB -1.042 37.893 39.000 -0.108 0.000 0.978 407 F HN 0.113 nan 8.300 nan 0.000 0.474 408 V N 1.218 121.054 119.914 -0.130 0.000 2.287 408 V HA -0.354 3.766 4.120 0.000 0.000 0.248 408 V C 2.302 178.258 176.094 -0.230 0.000 1.053 408 V CA 2.540 64.657 62.300 -0.306 0.000 1.027 408 V CB -0.649 30.929 31.823 -0.409 0.000 0.646 408 V HN 0.445 nan 8.190 nan 0.000 0.447 409 N N -0.420 118.219 118.700 -0.102 0.000 2.188 409 N HA -0.115 4.625 4.740 0.000 0.000 0.184 409 N C 1.816 177.311 175.510 -0.025 0.000 1.018 409 N CA 0.996 54.077 53.050 0.051 0.000 0.858 409 N CB -0.205 38.346 38.487 0.106 0.000 0.989 409 N HN 0.400 nan 8.380 nan 0.000 0.426 410 K N 0.323 120.626 120.400 -0.162 0.000 2.103 410 K HA -0.083 4.237 4.320 0.000 0.000 0.204 410 K C 1.856 178.455 176.600 -0.002 0.000 1.052 410 K CA 0.540 56.767 56.287 -0.101 0.000 0.945 410 K CB -0.517 31.859 32.500 -0.206 0.000 0.722 410 K HN 0.291 nan 8.250 nan 0.000 0.443 411 Y N 2.049 122.140 120.300 -0.349 0.000 2.220 411 Y HA -0.161 4.389 4.550 0.000 0.000 0.291 411 Y C 2.140 178.048 175.900 0.013 0.000 1.129 411 Y CA 1.637 59.544 58.100 -0.323 0.000 1.161 411 Y CB -0.205 37.719 38.460 -0.894 0.000 0.997 411 Y HN -0.006 nan 8.280 nan 0.000 0.522 412 T N -0.597 113.999 114.554 0.070 0.000 2.849 412 T HA -0.199 4.151 4.350 0.000 0.000 0.270 412 T C 2.006 176.706 174.700 0.001 0.000 1.066 412 T CA 1.453 63.616 62.100 0.106 0.000 1.130 412 T CB -0.232 68.801 68.868 0.275 0.000 0.864 412 T HN 0.109 nan 8.240 nan 0.000 0.481 413 K N 0.322 120.704 120.400 -0.030 0.000 2.103 413 K HA 0.005 4.325 4.320 0.000 0.000 0.207 413 K C 1.592 177.922 176.600 -0.450 0.000 1.048 413 K CA 1.038 57.192 56.287 -0.223 0.000 0.930 413 K CB -0.459 31.896 32.500 -0.242 0.000 0.716 413 K HN 0.660 nan 8.250 nan 0.000 0.444 414 F N -1.204 118.674 119.950 -0.120 0.000 2.746 414 F HA 0.351 4.878 4.527 0.000 0.000 0.313 414 F C 1.568 177.227 175.800 -0.235 0.000 1.095 414 F CA -0.271 57.614 58.000 -0.192 0.000 1.224 414 F CB 0.074 38.886 39.000 -0.315 0.000 1.060 414 F HN 0.164 nan 8.300 nan 0.000 0.584 415 G N -0.042 108.654 108.800 -0.173 0.000 2.611 415 G HA2 -0.033 3.927 3.960 0.000 0.000 0.273 415 G HA3 -0.033 3.927 3.960 0.000 0.000 0.273 415 G C 0.292 175.208 174.900 0.027 0.000 1.305 415 G CA -0.315 44.678 45.100 -0.178 0.000 1.010 415 G HN 0.297 nan 8.290 nan 0.000 0.509 416 N N -0.635 118.143 118.700 0.130 0.000 2.282 416 N HA 0.311 5.051 4.740 0.000 0.000 0.240 416 N C 0.168 175.754 175.510 0.126 0.000 1.182 416 N CA 0.390 53.503 53.050 0.104 0.000 0.874 416 N CB 0.414 38.960 38.487 0.098 0.000 1.126 416 N HN 0.875 nan 8.380 nan 0.000 0.516 417 G N 0.775 109.662 108.800 0.145 0.000 2.177 417 G HA2 -0.024 3.936 3.960 0.000 0.000 0.202 417 G HA3 -0.024 3.936 3.960 0.000 0.000 0.202 417 G C -1.184 173.766 174.900 0.084 0.000 1.581 417 G CA -0.742 44.413 45.100 0.092 0.000 0.983 417 G HN 0.008 nan 8.290 nan 0.000 0.689 418 T N 2.063 116.560 114.554 -0.096 0.000 2.792 418 T HA 0.617 4.968 4.350 0.000 0.000 0.280 418 T C -1.044 173.430 174.700 -0.376 0.000 0.990 418 T CA -0.217 61.835 62.100 -0.081 0.000 0.960 418 T CB 1.038 69.951 68.868 0.076 0.000 0.939 418 T HN 0.384 nan 8.240 nan 0.000 0.439 419 Y N 2.690 122.928 120.300 -0.103 0.000 2.338 419 Y HA 0.554 5.105 4.550 0.000 0.000 0.328 419 Y C -0.326 175.640 175.900 0.110 0.000 0.965 419 Y CA -1.118 56.839 58.100 -0.239 0.000 1.208 419 Y CB 1.139 38.989 38.460 -1.017 0.000 1.132 419 Y HN 0.400 nan 8.280 nan 0.000 0.469 420 L N 6.128 127.725 121.223 0.623 0.000 2.309 420 L HA 0.544 4.884 4.340 0.000 0.000 0.282 420 L C -1.013 176.349 176.870 0.821 0.000 1.036 420 L CA -1.117 54.046 54.840 0.539 0.000 0.806 420 L CB 0.336 42.571 42.059 0.295 0.000 1.220 420 L HN 0.513 nan 8.230 nan 0.000 0.429 421 Y N 3.230 123.852 120.300 0.537 0.000 2.581 421 Y HA 0.711 5.261 4.550 0.000 0.000 0.345 421 Y C -1.837 174.333 175.900 0.451 0.000 1.036 421 Y CA -2.094 56.259 58.100 0.422 0.000 1.042 421 Y CB 1.283 39.957 38.460 0.357 0.000 1.289 421 Y HN 0.509 nan 8.280 nan 0.000 0.471 422 F N 4.599 124.887 119.950 0.563 0.000 2.577 422 F HA 0.497 5.024 4.527 0.000 0.000 0.344 422 F C -2.021 174.093 175.800 0.524 0.000 1.145 422 F CA -1.864 56.395 58.000 0.432 0.000 0.996 422 F CB 0.856 40.089 39.000 0.388 0.000 1.248 422 F HN 0.577 nan 8.300 nan 0.000 0.447 423 F N 7.849 127.840 119.950 0.069 0.000 2.390 423 F HA 0.327 4.854 4.527 0.000 0.000 0.361 423 F C 0.047 175.669 175.800 -0.297 0.000 1.124 423 F CA -0.372 57.619 58.000 -0.015 0.000 1.149 423 F CB 0.569 39.642 39.000 0.121 0.000 1.160 423 F HN 0.526 nan 8.300 nan 0.000 0.501 424 N N 3.057 121.391 118.700 -0.610 0.000 2.497 424 N HA 0.104 4.844 4.740 0.000 0.000 0.284 424 N C -1.177 174.087 175.510 -0.410 0.000 1.459 424 N CA -0.522 52.270 53.050 -0.430 0.000 0.899 424 N CB -0.557 37.848 38.487 -0.137 0.000 1.316 424 N HN 0.573 nan 8.380 nan 0.000 0.500 425 H N 0.586 119.105 119.070 -0.918 0.000 2.467 425 H HA 0.540 5.097 4.556 0.000 0.000 0.326 425 H C -0.473 174.691 175.328 -0.274 0.000 1.094 425 H CA -0.751 54.940 56.048 -0.596 0.000 1.253 425 H CB 1.071 30.368 29.762 -0.776 0.000 1.439 425 H HN 0.138 nan 8.280 nan 0.000 0.479 426 R N 4.297 124.364 120.500 -0.722 0.000 2.230 426 R HA 0.517 4.857 4.340 0.000 0.000 0.337 426 R C -0.696 175.311 176.300 -0.488 0.000 1.063 426 R CA -0.325 55.533 56.100 -0.404 0.000 0.935 426 R CB -0.186 29.973 30.300 -0.235 0.000 1.121 426 R HN 0.767 nan 8.270 nan 0.000 0.486 427 A N 3.240 126.014 122.820 -0.076 0.000 2.616 427 A HA -0.034 4.286 4.320 0.000 0.000 0.234 427 A C 1.309 178.950 177.584 0.096 0.000 1.024 427 A CA 0.840 53.024 52.037 0.245 0.000 0.758 427 A CB -0.022 19.264 19.000 0.476 0.000 0.939 427 A HN 1.063 nan 8.150 nan 0.000 0.510 428 S N 1.511 117.317 115.700 0.177 0.000 2.423 428 S HA -0.160 4.310 4.470 0.000 0.000 0.231 428 S C 0.907 175.507 174.600 -0.001 0.000 1.014 428 S CA 1.091 59.340 58.200 0.081 0.000 0.965 428 S CB -0.408 62.867 63.200 0.125 0.000 0.785 428 S HN 0.964 nan 8.310 nan 0.000 0.495 429 N N 0.969 119.634 118.700 -0.059 0.000 2.279 429 N HA 0.215 4.955 4.740 0.000 0.000 0.226 429 N C -0.152 175.286 175.510 -0.119 0.000 1.126 429 N CA -0.350 52.609 53.050 -0.151 0.000 0.846 429 N CB -0.492 37.790 38.487 -0.341 0.000 1.050 429 N HN 0.375 nan 8.380 nan 0.000 0.502 430 L N 1.698 122.894 121.223 -0.045 0.000 2.513 430 L HA 0.002 4.342 4.340 0.000 0.000 0.272 430 L C 1.482 178.318 176.870 -0.056 0.000 1.187 430 L CA -0.061 54.765 54.840 -0.024 0.000 0.895 430 L CB 1.060 43.107 42.059 -0.019 0.000 1.147 430 L HN 0.159 nan 8.230 nan 0.000 0.483 431 V N 1.070 120.926 119.914 -0.096 0.000 3.461 431 V HA 0.002 4.123 4.120 0.000 0.000 0.267 431 V C 0.514 176.589 176.094 -0.032 0.000 1.186 431 V CA -0.271 61.960 62.300 -0.115 0.000 1.154 431 V CB -0.747 30.908 31.823 -0.279 0.000 0.802 431 V HN 0.601 nan 8.190 nan 0.000 0.474 432 W N 1.559 122.817 121.300 -0.070 0.000 2.303 432 W HA 0.549 5.209 4.660 0.000 0.000 0.334 432 W C -1.894 174.464 176.519 -0.268 0.000 1.197 432 W CA -2.419 54.814 57.345 -0.186 0.000 1.262 432 W CB 0.134 29.347 29.460 -0.412 0.000 1.153 432 W HN -0.031 nan 8.180 nan 0.000 0.596 433 P HA -0.084 nan 4.420 nan 0.000 0.269 433 P C 0.313 177.471 177.300 -0.237 0.000 1.209 433 P CA 0.333 63.354 63.100 -0.132 0.000 0.776 433 P CB 1.073 32.722 31.700 -0.086 0.000 0.876 434 E N 3.260 123.409 120.200 -0.085 0.000 2.171 434 E HA -0.189 4.161 4.350 0.000 0.000 0.197 434 E C 1.607 178.203 176.600 -0.006 0.000 0.997 434 E CA 1.585 57.959 56.400 -0.042 0.000 0.810 434 E CB -0.431 29.287 29.700 0.029 0.000 0.738 434 E HN 0.653 nan 8.360 nan 0.000 0.467 435 W N -0.428 120.884 121.300 0.019 0.000 2.421 435 W HA -0.108 4.552 4.660 0.000 0.000 0.270 435 W C 1.183 177.716 176.519 0.023 0.000 1.233 435 W CA 0.375 57.742 57.345 0.035 0.000 1.226 435 W CB -0.597 28.900 29.460 0.062 0.000 1.121 435 W HN 0.089 nan 8.180 nan 0.000 0.579 436 M N 1.327 120.490 119.600 -0.729 0.000 2.562 436 M HA 0.147 4.628 4.480 0.000 0.000 0.257 436 M C 1.725 177.829 176.300 -0.327 0.000 1.099 436 M CA 1.447 56.265 55.300 -0.803 0.000 1.099 436 M CB -0.566 31.343 32.600 -1.152 0.000 1.427 436 M HN 0.153 nan 8.290 nan 0.000 0.489 437 G N 0.502 109.189 108.800 -0.188 0.000 2.574 437 G HA2 -0.285 3.675 3.960 0.000 0.000 0.286 437 G HA3 -0.285 3.675 3.960 0.000 0.000 0.286 437 G C -0.183 174.654 174.900 -0.105 0.000 1.212 437 G CA -0.242 44.805 45.100 -0.089 0.000 0.979 437 G HN 0.192 nan 8.290 nan 0.000 0.557 438 V N 2.131 122.024 119.914 -0.034 0.000 2.267 438 V HA 0.371 4.491 4.120 0.000 0.000 0.254 438 V C 1.134 177.281 176.094 0.087 0.000 1.144 438 V CA -0.050 62.274 62.300 0.041 0.000 0.992 438 V CB -0.262 31.591 31.823 0.049 0.000 1.199 438 V HN 0.536 nan 8.190 nan 0.000 0.493 439 I N 2.375 122.958 120.570 0.021 0.000 2.836 439 I HA 0.088 4.258 4.170 0.000 0.000 0.285 439 I C 0.965 177.294 176.117 0.354 0.000 1.174 439 I CA -0.384 60.950 61.300 0.058 0.000 1.405 439 I CB 0.087 37.895 38.000 -0.320 0.000 1.385 439 I HN 0.521 nan 8.210 nan 0.000 0.594 440 H N 3.383 122.598 119.070 0.241 0.000 3.070 440 H HA 0.181 4.737 4.556 0.000 0.000 0.313 440 H C 1.002 176.507 175.328 0.295 0.000 0.997 440 H CA 1.259 57.442 56.048 0.225 0.000 1.438 440 H CB 0.216 30.059 29.762 0.135 0.000 1.455 440 H HN 0.748 nan 8.280 nan 0.000 0.575 441 G N 3.536 112.285 108.800 -0.085 0.000 2.268 441 G HA2 -0.357 3.603 3.960 0.000 0.000 0.240 441 G HA3 -0.357 3.603 3.960 0.000 0.000 0.240 441 G C 0.776 175.732 174.900 0.093 0.000 1.010 441 G CA 0.456 45.547 45.100 -0.016 0.000 0.618 441 G HN 0.634 nan 8.290 nan 0.000 0.516 442 Y N 1.983 122.444 120.300 0.268 0.000 2.578 442 Y HA 0.193 4.743 4.550 0.000 0.000 0.297 442 Y C 2.410 178.433 175.900 0.206 0.000 1.176 442 Y CA 1.228 59.508 58.100 0.300 0.000 1.315 442 Y CB 0.285 38.931 38.460 0.309 0.000 1.031 442 Y HN 0.540 nan 8.280 nan 0.000 0.524 443 E N 0.020 120.204 120.200 -0.026 0.000 2.474 443 E HA -0.038 4.312 4.350 0.000 0.000 0.194 443 E C 1.542 178.092 176.600 -0.083 0.000 1.041 443 E CA 0.498 56.600 56.400 -0.496 0.000 0.874 443 E CB -0.490 28.512 29.700 -1.163 0.000 0.914 443 E HN 0.521 nan 8.360 nan 0.000 0.498 444 I N 2.409 123.024 120.570 0.076 0.000 2.179 444 I HA -0.284 3.886 4.170 0.000 0.000 0.242 444 I C 2.508 178.697 176.117 0.120 0.000 1.088 444 I CA 1.879 63.279 61.300 0.166 0.000 1.357 444 I CB -0.446 37.704 38.000 0.250 0.000 1.051 444 I HN 0.162 nan 8.210 nan 0.000 0.409 445 E N 0.991 121.201 120.200 0.018 0.000 2.219 445 E HA -0.249 4.101 4.350 0.000 0.000 0.198 445 E C 2.016 178.457 176.600 -0.265 0.000 0.998 445 E CA 1.554 57.880 56.400 -0.123 0.000 0.818 445 E CB -0.540 29.092 29.700 -0.113 0.000 0.741 445 E HN 0.439 nan 8.360 nan 0.000 0.477 446 F N 1.157 121.027 119.950 -0.134 0.000 2.149 446 F HA -0.058 4.469 4.527 0.000 0.000 0.294 446 F C 2.463 178.094 175.800 -0.281 0.000 1.095 446 F CA 0.653 58.526 58.000 -0.211 0.000 1.276 446 F CB -0.348 38.565 39.000 -0.145 0.000 1.023 446 F HN -0.158 nan 8.300 nan 0.000 0.480 447 V N -0.765 119.063 119.914 -0.144 0.000 2.392 447 V HA -0.300 3.820 4.120 0.000 0.000 0.249 447 V C 1.703 177.592 176.094 -0.341 0.000 1.059 447 V CA 1.706 63.766 62.300 -0.399 0.000 1.051 447 V CB -0.689 30.953 31.823 -0.302 0.000 0.658 447 V HN 0.219 nan 8.190 nan 0.000 0.455 448 F N 0.282 120.100 119.950 -0.219 0.000 2.773 448 F HA 0.401 4.929 4.527 0.000 0.000 0.304 448 F C 1.807 177.500 175.800 -0.178 0.000 1.129 448 F CA 0.621 58.513 58.000 -0.180 0.000 1.378 448 F CB -0.257 38.621 39.000 -0.203 0.000 1.095 448 F HN 0.256 nan 8.300 nan 0.000 0.565 449 G N 0.350 109.057 108.800 -0.155 0.000 2.153 449 G HA2 -0.295 3.665 3.960 0.000 0.000 0.252 449 G HA3 -0.295 3.665 3.960 0.000 0.000 0.252 449 G C 1.163 175.749 174.900 -0.523 0.000 0.994 449 G CA 0.413 45.351 45.100 -0.270 0.000 0.698 449 G HN 0.389 nan 8.290 nan 0.000 0.521 450 L N -0.605 120.289 121.223 -0.548 0.000 2.265 450 L HA -0.043 4.298 4.340 0.000 0.000 0.215 450 L C -0.244 176.218 176.870 -0.680 0.000 1.117 450 L CA 1.562 56.028 54.840 -0.623 0.000 0.782 450 L CB -1.127 40.712 42.059 -0.367 0.000 0.914 450 L HN 0.194 nan 8.230 nan 0.000 0.441 451 P HA -0.067 nan 4.420 nan 0.000 0.242 451 P C 1.662 178.696 177.300 -0.443 0.000 1.197 451 P CA 0.807 63.287 63.100 -1.034 0.000 0.765 451 P CB 0.175 31.148 31.700 -1.211 0.000 0.936 452 L N -1.583 119.399 121.223 -0.402 0.000 2.446 452 L HA 0.080 4.420 4.340 0.000 0.000 0.219 452 L C 1.002 177.755 176.870 -0.196 0.000 1.116 452 L CA 0.371 55.065 54.840 -0.244 0.000 0.844 452 L CB -0.094 41.848 42.059 -0.195 0.000 0.970 452 L HN -0.095 nan 8.230 nan 0.000 0.457 453 V N 0.037 119.797 119.914 -0.257 0.000 2.368 453 V HA 0.143 4.263 4.120 0.000 0.000 0.266 453 V C 1.198 177.253 176.094 -0.066 0.000 1.045 453 V CA -0.443 61.767 62.300 -0.151 0.000 0.899 453 V CB 1.486 33.194 31.823 -0.192 0.000 1.006 453 V HN 0.128 nan 8.190 nan 0.000 0.470 454 K N 4.298 124.674 120.400 -0.040 0.000 2.059 454 K HA -0.185 4.135 4.320 0.000 0.000 0.212 454 K C 1.674 178.262 176.600 -0.019 0.000 1.050 454 K CA 2.446 58.722 56.287 -0.019 0.000 0.927 454 K CB -0.244 32.245 32.500 -0.018 0.000 0.714 454 K HN 0.909 nan 8.250 nan 0.000 0.447 455 E N 0.200 120.383 120.200 -0.029 0.000 2.396 455 E HA -0.125 4.226 4.350 0.000 0.000 0.200 455 E C 1.364 177.931 176.600 -0.055 0.000 1.023 455 E CA 0.607 56.984 56.400 -0.038 0.000 0.857 455 E CB -0.161 29.517 29.700 -0.038 0.000 0.775 455 E HN 0.245 nan 8.360 nan 0.000 0.525 456 L N 0.237 121.435 121.223 -0.043 0.000 2.552 456 L HA 0.030 4.370 4.340 0.000 0.000 0.227 456 L C -0.220 176.555 176.870 -0.158 0.000 1.146 456 L CA 0.237 55.033 54.840 -0.073 0.000 0.858 456 L CB -0.733 41.344 42.059 0.029 0.000 0.969 456 L HN 0.252 nan 8.230 nan 0.000 0.451 457 N N -1.463 117.190 118.700 -0.078 0.000 2.738 457 N HA -0.243 4.497 4.740 0.000 0.000 0.249 457 N C -0.609 174.830 175.510 -0.118 0.000 1.047 457 N CA 0.157 53.152 53.050 -0.091 0.000 0.707 457 N CB -1.267 37.147 38.487 -0.121 0.000 0.937 457 N HN 0.289 nan 8.380 nan 0.000 0.545 458 Y N 0.194 120.464 120.300 -0.050 0.000 2.408 458 Y HA 0.386 4.937 4.550 0.000 0.000 0.324 458 Y C 1.689 177.594 175.900 0.008 0.000 1.302 458 Y CA -0.207 57.884 58.100 -0.014 0.000 1.384 458 Y CB 0.681 39.106 38.460 -0.058 0.000 1.367 458 Y HN 0.083 nan 8.280 nan 0.000 0.525 459 T N -2.036 112.664 114.554 0.243 0.000 2.847 459 T HA 0.472 4.822 4.350 0.000 0.000 0.279 459 T C 0.983 175.749 174.700 0.110 0.000 0.984 459 T CA -0.254 61.931 62.100 0.141 0.000 0.988 459 T CB 1.249 70.198 68.868 0.136 0.000 1.040 459 T HN 0.725 nan 8.240 nan 0.000 0.528 460 A N 0.495 123.353 122.820 0.062 0.000 2.066 460 A HA 0.026 4.346 4.320 0.000 0.000 0.218 460 A C 2.107 179.704 177.584 0.022 0.000 1.157 460 A CA 0.763 52.819 52.037 0.032 0.000 0.670 460 A CB -0.577 18.433 19.000 0.018 0.000 0.804 460 A HN 0.911 nan 8.150 nan 0.000 0.453 461 E N 0.354 120.571 120.200 0.029 0.000 2.502 461 E HA -0.054 4.296 4.350 0.000 0.000 0.194 461 E C 0.886 177.478 176.600 -0.013 0.000 1.062 461 E CA 0.572 56.970 56.400 -0.003 0.000 0.867 461 E CB -0.179 29.513 29.700 -0.014 0.000 0.888 461 E HN 0.769 nan 8.360 nan 0.000 0.510 462 E N 1.256 121.495 120.200 0.065 0.000 2.127 462 E HA -0.070 4.281 4.350 0.000 0.000 0.191 462 E C 1.937 178.601 176.600 0.107 0.000 0.964 462 E CA 0.313 56.830 56.400 0.196 0.000 0.832 462 E CB 0.108 30.036 29.700 0.380 0.000 0.790 462 E HN 0.287 nan 8.360 nan 0.000 0.465 463 E N 1.222 121.416 120.200 -0.011 0.000 2.118 463 E HA -0.210 4.140 4.350 0.000 0.000 0.195 463 E C 1.951 178.521 176.600 -0.049 0.000 0.992 463 E CA 1.062 57.411 56.400 -0.085 0.000 0.804 463 E CB 0.007 29.667 29.700 -0.066 0.000 0.741 463 E HN 0.179 nan 8.360 nan 0.000 0.458 464 A N 1.199 124.003 122.820 -0.027 0.000 1.873 464 A HA -0.134 4.186 4.320 0.000 0.000 0.215 464 A C 2.139 179.696 177.584 -0.044 0.000 1.186 464 A CA 1.203 53.216 52.037 -0.041 0.000 0.616 464 A CB -0.732 18.245 19.000 -0.040 0.000 0.823 464 A HN 0.381 nan 8.150 nan 0.000 0.442 465 L N 0.310 121.517 121.223 -0.026 0.000 1.990 465 L HA -0.182 4.158 4.340 0.000 0.000 0.213 465 L C 2.580 179.462 176.870 0.021 0.000 1.072 465 L CA 2.838 57.654 54.840 -0.041 0.000 0.755 465 L CB -1.135 40.845 42.059 -0.131 0.000 0.889 465 L HN 0.386 nan 8.230 nan 0.000 0.432 466 S N -0.706 115.088 115.700 0.158 0.000 2.372 466 S HA -0.290 4.180 4.470 0.000 0.000 0.227 466 S C 2.199 176.762 174.600 -0.061 0.000 1.044 466 S CA 1.826 60.080 58.200 0.090 0.000 1.050 466 S CB -0.326 62.831 63.200 -0.071 0.000 0.901 466 S HN 0.581 nan 8.310 nan 0.000 0.447 467 R N 0.661 121.120 120.500 -0.067 0.000 2.096 467 R HA -0.068 4.272 4.340 0.000 0.000 0.235 467 R C 2.672 178.915 176.300 -0.096 0.000 1.127 467 R CA 1.718 57.775 56.100 -0.071 0.000 0.968 467 R CB -0.306 29.956 30.300 -0.063 0.000 0.861 467 R HN 0.643 nan 8.270 nan 0.000 0.440 468 R N 0.129 120.533 120.500 -0.160 0.000 2.153 468 R HA 0.023 4.363 4.340 0.000 0.000 0.218 468 R C 2.034 178.104 176.300 -0.383 0.000 1.072 468 R CA 0.933 56.828 56.100 -0.340 0.000 0.990 468 R CB -0.462 29.568 30.300 -0.450 0.000 0.889 468 R HN 0.161 nan 8.270 nan 0.000 0.452 469 I N 1.645 122.108 120.570 -0.179 0.000 2.142 469 I HA -0.263 3.907 4.170 0.000 0.000 0.240 469 I C 2.679 178.682 176.117 -0.190 0.000 1.078 469 I CA 1.577 62.779 61.300 -0.164 0.000 1.343 469 I CB -0.202 37.570 38.000 -0.380 0.000 1.046 469 I HN 0.139 nan 8.210 nan 0.000 0.405 470 M N -0.644 118.826 119.600 -0.216 0.000 2.073 470 M HA -0.312 4.168 4.480 0.000 0.000 0.258 470 M C 2.488 178.807 176.300 0.030 0.000 1.070 470 M CA 2.045 57.265 55.300 -0.134 0.000 1.103 470 M CB -1.080 31.456 32.600 -0.107 0.000 1.321 470 M HN 0.302 nan 8.290 nan 0.000 0.405 471 H N -0.331 118.725 119.070 -0.023 0.000 2.353 471 H HA -0.176 4.380 4.556 0.000 0.000 0.300 471 H C 1.669 177.109 175.328 0.186 0.000 1.090 471 H CA 2.062 58.123 56.048 0.022 0.000 1.327 471 H CB -0.043 29.677 29.762 -0.070 0.000 1.383 471 H HN 0.286 nan 8.280 nan 0.000 0.508 472 Y N -0.941 119.513 120.300 0.257 0.000 2.181 472 Y HA -0.258 4.293 4.550 0.000 0.000 0.288 472 Y C 2.515 178.632 175.900 0.361 0.000 1.146 472 Y CA 1.006 59.316 58.100 0.350 0.000 1.164 472 Y CB -1.009 37.828 38.460 0.630 0.000 0.982 472 Y HN 0.391 nan 8.280 nan 0.000 0.515 473 W N -0.499 120.889 121.300 0.147 0.000 2.354 473 W HA -0.208 4.452 4.660 0.000 0.000 0.315 473 W C 2.610 179.118 176.519 -0.018 0.000 1.206 473 W CA 1.102 58.465 57.345 0.030 0.000 1.290 473 W CB -0.494 28.920 29.460 -0.076 0.000 1.152 473 W HN 0.046 nan 8.180 nan 0.000 0.489 474 A N 0.129 123.030 122.820 0.136 0.000 1.902 474 A HA -0.178 4.142 4.320 0.000 0.000 0.217 474 A C 1.810 179.346 177.584 -0.079 0.000 1.181 474 A CA 2.360 54.379 52.037 -0.030 0.000 0.623 474 A CB -1.264 17.677 19.000 -0.098 0.000 0.818 474 A HN 0.221 nan 8.150 nan 0.000 0.443 475 T N -0.661 113.814 114.554 -0.132 0.000 2.746 475 T HA -0.141 4.209 4.350 0.000 0.000 0.267 475 T C 1.618 176.275 174.700 -0.070 0.000 1.039 475 T CA 1.601 63.626 62.100 -0.125 0.000 1.142 475 T CB -0.416 68.386 68.868 -0.110 0.000 0.866 475 T HN 0.518 nan 8.240 nan 0.000 0.444 476 F N 2.327 122.190 119.950 -0.145 0.000 2.134 476 F HA 0.012 4.540 4.527 0.000 0.000 0.299 476 F C 2.416 178.129 175.800 -0.146 0.000 1.097 476 F CA 0.990 58.865 58.000 -0.209 0.000 1.264 476 F CB -0.652 38.162 39.000 -0.310 0.000 1.001 476 F HN 0.136 nan 8.300 nan 0.000 0.479 477 A N 0.297 123.018 122.820 -0.165 0.000 1.902 477 A HA -0.241 4.079 4.320 0.000 0.000 0.217 477 A C 2.312 179.747 177.584 -0.249 0.000 1.181 477 A CA 1.932 53.832 52.037 -0.229 0.000 0.623 477 A CB -0.850 18.102 19.000 -0.081 0.000 0.818 477 A HN 0.516 nan 8.150 nan 0.000 0.443 478 K N -0.903 119.387 120.400 -0.183 0.000 2.167 478 K HA -0.089 4.232 4.320 0.000 0.000 0.203 478 K C 1.693 178.194 176.600 -0.164 0.000 1.052 478 K CA 1.770 57.972 56.287 -0.142 0.000 0.956 478 K CB -0.036 32.408 32.500 -0.093 0.000 0.735 478 K HN 0.603 nan 8.250 nan 0.000 0.451 479 T N -5.075 109.349 114.554 -0.217 0.000 2.975 479 T HA 0.246 4.596 4.350 0.000 0.000 0.261 479 T C 1.077 175.634 174.700 -0.238 0.000 0.984 479 T CA 0.492 62.484 62.100 -0.181 0.000 0.911 479 T CB 0.905 69.708 68.868 -0.107 0.000 1.127 479 T HN 0.273 nan 8.240 nan 0.000 0.514 480 G N 1.509 110.024 108.800 -0.476 0.000 2.141 480 G HA2 -0.184 3.776 3.960 0.000 0.000 0.242 480 G HA3 -0.184 3.776 3.960 0.000 0.000 0.242 480 G C -0.206 174.607 174.900 -0.145 0.000 0.982 480 G CA 0.056 44.857 45.100 -0.498 0.000 0.662 480 G HN 0.858 nan 8.290 nan 0.000 0.527 481 N N -0.300 118.289 118.700 -0.186 0.000 2.478 481 N HA 0.404 5.145 4.740 0.000 0.000 0.291 481 N C -1.967 173.392 175.510 -0.252 0.000 1.090 481 N CA -1.339 51.563 53.050 -0.247 0.000 0.911 481 N CB 2.454 40.905 38.487 -0.061 0.000 1.546 481 N HN -0.064 nan 8.380 nan 0.000 0.500 482 P HA 0.002 nan 4.420 nan 0.000 0.233 482 P C -0.585 176.796 177.300 0.135 0.000 1.167 482 P CA 0.498 63.507 63.100 -0.151 0.000 0.770 482 P CB 0.332 31.745 31.700 -0.479 0.000 0.837 483 N N 1.274 120.005 118.700 0.050 0.000 2.438 483 N HA 0.158 4.898 4.740 0.000 0.000 0.282 483 N C -0.077 175.526 175.510 0.155 0.000 1.037 483 N CA -0.299 52.868 53.050 0.196 0.000 0.942 483 N CB 1.414 40.007 38.487 0.177 0.000 1.136 483 N HN 0.106 nan 8.380 nan 0.000 0.481 484 E N 2.533 122.851 120.200 0.196 0.000 2.316 484 E HA 0.150 4.500 4.350 0.000 0.000 0.275 484 E C -1.373 175.295 176.600 0.112 0.000 1.029 484 E CA -1.236 55.253 56.400 0.148 0.000 0.871 484 E CB 0.626 30.426 29.700 0.167 0.000 1.022 484 E HN 0.398 nan 8.360 nan 0.000 0.418 491 K N 2.445 122.947 120.400 0.169 0.000 2.159 491 K HA 0.338 4.659 4.320 0.000 0.000 0.266 491 K C -0.856 175.911 176.600 0.279 0.000 0.975 491 K CA -0.725 55.698 56.287 0.228 0.000 0.865 491 K CB 0.950 33.568 32.500 0.197 0.000 1.087 491 K HN 0.513 nan 8.250 nan 0.000 0.446 492 W N 7.040 128.408 121.300 0.113 0.000 2.437 492 W HA 0.167 4.827 4.660 0.000 0.000 0.312 492 W C -2.402 174.257 176.519 0.233 0.000 1.242 492 W CA -2.497 54.921 57.345 0.122 0.000 1.340 492 W CB 0.078 29.544 29.460 0.008 0.000 1.327 492 W HN 0.429 nan 8.180 nan 0.000 0.476 493 P HA 0.057 nan 4.420 nan 0.000 0.276 493 P C -0.457 177.071 177.300 0.380 0.000 1.244 493 P CA -0.545 62.795 63.100 0.400 0.000 0.801 493 P CB 1.601 33.440 31.700 0.232 0.000 1.006 494 L N 2.278 123.561 121.223 0.100 0.000 2.467 494 L HA 0.202 4.542 4.340 0.000 0.000 0.270 494 L C 0.059 176.936 176.870 0.011 0.000 1.205 494 L CA -0.104 54.596 54.840 -0.234 0.000 0.828 494 L CB -0.675 41.271 42.059 -0.189 0.000 1.101 494 L HN 0.258 nan 8.230 nan 0.000 0.479 495 F N 3.098 122.974 119.950 -0.124 0.000 2.410 495 F HA 0.541 5.068 4.527 0.000 0.000 0.349 495 F C 0.133 175.923 175.800 -0.016 0.000 1.117 495 F CA -0.332 57.680 58.000 0.019 0.000 1.104 495 F CB 0.878 39.918 39.000 0.068 0.000 1.122 495 F HN 0.600 nan 8.300 nan 0.000 0.483 496 T N 0.645 114.908 114.554 -0.484 0.000 2.908 496 T HA 0.260 4.610 4.350 0.000 0.000 0.290 496 T C 0.984 175.411 174.700 -0.456 0.000 1.034 496 T CA -0.023 61.900 62.100 -0.296 0.000 1.010 496 T CB 1.356 70.123 68.868 -0.169 0.000 1.068 496 T HN 0.698 nan 8.240 nan 0.000 0.481 497 T N -1.856 112.587 114.554 -0.184 0.000 3.025 497 T HA 0.019 4.370 4.350 0.000 0.000 0.270 497 T C 1.846 176.455 174.700 -0.153 0.000 1.126 497 T CA 1.406 63.428 62.100 -0.130 0.000 1.105 497 T CB -0.750 68.104 68.868 -0.023 0.000 0.884 497 T HN 0.933 nan 8.240 nan 0.000 0.522 498 K N 1.655 121.958 120.400 -0.163 0.000 2.019 498 K HA 0.232 4.552 4.320 0.000 0.000 0.209 498 K C 2.114 178.631 176.600 -0.138 0.000 1.032 498 K CA 1.187 57.405 56.287 -0.116 0.000 0.947 498 K CB -1.178 31.271 32.500 -0.085 0.000 0.757 498 K HN 0.448 nan 8.250 nan 0.000 0.444 499 E N 0.262 120.365 120.200 -0.161 0.000 2.274 499 E HA -0.014 4.336 4.350 0.000 0.000 0.194 499 E C 0.036 176.529 176.600 -0.178 0.000 0.996 499 E CA 0.477 56.797 56.400 -0.132 0.000 0.840 499 E CB 0.076 29.719 29.700 -0.094 0.000 0.772 499 E HN 0.524 nan 8.360 nan 0.000 0.491 500 Q N 0.076 119.612 119.800 -0.440 0.000 2.434 500 Q HA -0.252 4.088 4.340 0.000 0.000 0.299 500 Q C -0.809 175.164 176.000 -0.045 0.000 1.286 500 Q CA 0.595 56.008 55.803 -0.651 0.000 0.872 500 Q CB -1.342 27.268 28.738 -0.214 0.000 1.193 500 Q HN 0.227 nan 8.270 nan 0.000 0.466 501 K N 0.519 120.918 120.400 -0.001 0.000 2.295 501 K HA 0.500 4.820 4.320 0.000 0.000 0.270 501 K C 0.036 176.957 176.600 0.535 0.000 1.011 501 K CA 0.254 56.670 56.287 0.215 0.000 0.953 501 K CB 0.452 33.016 32.500 0.107 0.000 0.956 501 K HN 0.217 nan 8.250 nan 0.000 0.477 502 F N -0.129 119.996 119.950 0.292 0.000 2.711 502 F HA 0.591 5.119 4.527 0.000 0.000 0.313 502 F C -1.054 174.840 175.800 0.158 0.000 1.141 502 F CA -1.490 56.705 58.000 0.325 0.000 0.941 502 F CB 0.808 40.015 39.000 0.344 0.000 1.349 502 F HN 0.403 nan 8.300 nan 0.000 0.464 503 I N -0.862 119.762 120.570 0.091 0.000 2.957 503 I HA 0.659 4.829 4.170 0.000 0.000 0.310 503 I C -1.197 175.020 176.117 0.166 0.000 1.063 503 I CA -0.908 60.304 61.300 -0.146 0.000 1.033 503 I CB 2.018 39.718 38.000 -0.499 0.000 1.230 503 I HN 0.455 nan 8.210 nan 0.000 0.447 504 D N 2.738 123.231 120.400 0.155 0.000 2.253 504 D HA 0.509 5.149 4.640 0.000 0.000 0.249 504 D C -0.973 175.400 176.300 0.122 0.000 1.049 504 D CA -0.047 54.134 54.000 0.302 0.000 0.929 504 D CB 2.429 43.406 40.800 0.296 0.000 1.176 504 D HN 0.225 nan 8.370 nan 0.000 0.437 505 L N 2.823 124.117 121.223 0.119 0.000 2.388 505 L HA 0.287 4.627 4.340 0.000 0.000 0.267 505 L C -0.775 175.980 176.870 -0.190 0.000 0.995 505 L CA -0.430 54.427 54.840 0.027 0.000 0.864 505 L CB 0.124 42.291 42.059 0.179 0.000 1.216 505 L HN 0.463 nan 8.230 nan 0.000 0.430 506 N N -0.727 117.874 118.700 -0.164 0.000 3.277 506 N HA 0.366 5.106 4.740 0.000 0.000 0.278 506 N C 0.588 175.965 175.510 -0.222 0.000 1.544 506 N CA -0.147 52.749 53.050 -0.256 0.000 0.869 506 N CB 0.330 38.738 38.487 -0.131 0.000 1.584 506 N HN 0.085 nan 8.380 nan 0.000 0.564 507 T N -3.762 110.632 114.554 -0.267 0.000 2.951 507 T HA 0.025 4.375 4.350 0.000 0.000 0.268 507 T C 0.489 175.139 174.700 -0.083 0.000 1.073 507 T CA 0.743 62.724 62.100 -0.200 0.000 1.134 507 T CB -0.477 68.268 68.868 -0.206 0.000 0.884 507 T HN 0.432 nan 8.240 nan 0.000 0.479 508 E N 2.072 122.244 120.200 -0.046 0.000 2.416 508 E HA 0.316 4.666 4.350 0.000 0.000 0.254 508 E C -2.517 174.078 176.600 -0.009 0.000 1.241 508 E CA -1.438 54.955 56.400 -0.012 0.000 0.969 508 E CB -0.580 29.126 29.700 0.010 0.000 0.999 508 E HN 0.452 nan 8.360 nan 0.000 0.481 509 P HA 0.076 nan 4.420 nan 0.000 0.271 509 P C -0.031 177.272 177.300 0.005 0.000 1.216 509 P CA -0.010 63.093 63.100 0.006 0.000 0.771 509 P CB 0.272 31.975 31.700 0.006 0.000 0.864 510 M N 3.548 123.157 119.600 0.015 0.000 2.409 510 M HA -0.059 4.421 4.480 0.000 0.000 0.376 510 M C -0.678 175.591 176.300 -0.052 0.000 1.631 510 M CA 0.913 56.211 55.300 -0.003 0.000 0.987 510 M CB -0.222 32.395 32.600 0.029 0.000 2.090 510 M HN 0.229 nan 8.290 nan 0.000 0.474 511 K N 3.944 124.285 120.400 -0.098 0.000 2.156 511 K HA 0.620 4.941 4.320 0.000 0.000 0.254 511 K C -1.132 175.221 176.600 -0.411 0.000 0.950 511 K CA -0.826 55.320 56.287 -0.234 0.000 0.849 511 K CB 2.303 34.661 32.500 -0.236 0.000 1.100 511 K HN 0.508 nan 8.250 nan 0.000 0.434 512 V N 3.791 123.420 119.914 -0.475 0.000 2.435 512 V HA 0.304 4.424 4.120 0.000 0.000 0.290 512 V C -0.233 175.431 176.094 -0.717 0.000 1.030 512 V CA -0.657 61.365 62.300 -0.463 0.000 0.881 512 V CB 0.885 32.583 31.823 -0.207 0.000 0.983 512 V HN 0.713 nan 8.190 nan 0.000 0.445 513 H N 3.220 121.940 119.070 -0.583 0.000 2.824 513 H HA 0.677 5.234 4.556 0.000 0.000 0.345 513 H C -1.012 174.046 175.328 -0.449 0.000 1.252 513 H CA -0.817 54.858 56.048 -0.622 0.000 1.246 513 H CB 2.218 31.378 29.762 -1.004 0.000 1.908 513 H HN 0.565 nan 8.280 nan 0.000 0.601 514 Q N 0.255 120.095 119.800 0.066 0.000 2.379 514 Q HA 0.364 4.704 4.340 0.000 0.000 0.278 514 Q C -0.708 175.542 176.000 0.417 0.000 1.068 514 Q CA -0.923 55.034 55.803 0.256 0.000 0.816 514 Q CB 2.963 31.767 28.738 0.109 0.000 1.387 514 Q HN 0.488 nan 8.270 nan 0.000 0.413 515 R N 0.764 121.509 120.500 0.408 0.000 3.084 515 R HA -0.203 4.137 4.340 0.000 0.000 0.258 515 R C -0.645 175.803 176.300 0.247 0.000 0.914 515 R CA -0.137 56.138 56.100 0.290 0.000 0.646 515 R CB -1.673 28.737 30.300 0.183 0.000 1.330 515 R HN 0.505 nan 8.270 nan 0.000 0.465 516 L N 1.917 123.192 121.223 0.087 0.000 2.584 516 L HA -0.002 4.338 4.340 0.000 0.000 0.272 516 L C 0.958 177.777 176.870 -0.086 0.000 1.195 516 L CA 0.724 55.388 54.840 -0.294 0.000 0.920 516 L CB 0.036 41.533 42.059 -0.936 0.000 1.173 516 L HN 0.424 nan 8.230 nan 0.000 0.489 517 R N 2.384 122.854 120.500 -0.050 0.000 3.266 517 R HA -0.206 4.134 4.340 0.000 0.000 0.245 517 R C 1.178 177.542 176.300 0.108 0.000 0.941 517 R CA 0.566 56.691 56.100 0.041 0.000 0.638 517 R CB -1.682 28.662 30.300 0.074 0.000 1.019 517 R HN 0.749 nan 8.270 nan 0.000 0.462 518 V N -1.957 118.021 119.914 0.106 0.000 2.287 518 V HA -0.344 3.777 4.120 0.000 0.000 0.248 518 V C 2.334 178.509 176.094 0.135 0.000 1.053 518 V CA 2.184 64.561 62.300 0.129 0.000 1.027 518 V CB -0.480 31.412 31.823 0.115 0.000 0.646 518 V HN 0.353 nan 8.190 nan 0.000 0.447 519 Q N 0.049 119.910 119.800 0.101 0.000 1.985 519 Q HA -0.200 4.140 4.340 0.000 0.000 0.207 519 Q C 2.197 178.269 176.000 0.121 0.000 0.996 519 Q CA 2.273 58.123 55.803 0.078 0.000 0.851 519 Q CB -0.439 28.315 28.738 0.026 0.000 0.921 519 Q HN 0.500 nan 8.270 nan 0.000 0.418 520 M N -0.971 118.718 119.600 0.149 0.000 2.213 520 M HA -0.148 4.332 4.480 0.000 0.000 0.263 520 M C 2.383 178.985 176.300 0.504 0.000 1.062 520 M CA 0.934 56.399 55.300 0.275 0.000 1.105 520 M CB -1.223 31.600 32.600 0.372 0.000 1.385 520 M HN 0.351 nan 8.290 nan 0.000 0.417 521 c N -0.355 118.482 118.600 0.396 0.000 2.446 521 c HA -0.024 4.546 4.570 0.000 0.000 0.279 521 c C 2.927 177.220 174.090 0.339 0.000 1.366 521 c CA 0.241 56.815 56.329 0.408 0.000 1.763 521 c CB -0.788 41.893 42.510 0.285 0.000 1.929 521 c HN 0.326 nan 8.230 nan 0.000 0.509 522 V N 0.431 120.506 119.914 0.269 0.000 2.427 522 V HA -0.198 3.922 4.120 0.000 0.000 0.248 522 V C 2.006 178.243 176.094 0.239 0.000 1.051 522 V CA 2.084 64.515 62.300 0.218 0.000 1.048 522 V CB -0.796 31.126 31.823 0.165 0.000 0.666 522 V HN 0.562 nan 8.190 nan 0.000 0.456 523 F N 0.126 120.138 119.950 0.103 0.000 2.075 523 F HA -0.189 4.338 4.527 0.000 0.000 0.297 523 F C 2.030 177.865 175.800 0.060 0.000 1.113 523 F CA 1.760 59.779 58.000 0.032 0.000 1.218 523 F CB -0.450 38.447 39.000 -0.172 0.000 0.984 523 F HN 0.156 nan 8.300 nan 0.000 0.472 524 W N 0.655 122.090 121.300 0.224 0.000 2.388 524 W HA -0.129 4.532 4.660 0.000 0.000 0.294 524 W C 2.103 178.629 176.519 0.011 0.000 1.212 524 W CA 0.966 58.365 57.345 0.091 0.000 1.271 524 W CB -0.545 29.092 29.460 0.294 0.000 1.126 524 W HN 0.003 nan 8.180 nan 0.000 0.535 525 N N -0.691 118.169 118.700 0.267 0.000 2.409 525 N HA -0.029 4.712 4.740 0.000 0.000 0.174 525 N C 1.355 176.898 175.510 0.055 0.000 1.037 525 N CA 0.930 54.052 53.050 0.119 0.000 0.898 525 N CB -0.093 38.489 38.487 0.158 0.000 1.010 525 N HN 0.217 nan 8.380 nan 0.000 0.445 526 Q N -0.994 118.855 119.800 0.081 0.000 2.619 526 Q HA 0.300 4.640 4.340 0.000 0.000 0.230 526 Q C 1.360 177.378 176.000 0.030 0.000 0.871 526 Q CA 0.074 55.918 55.803 0.068 0.000 0.934 526 Q CB -0.229 28.581 28.738 0.120 0.000 1.183 526 Q HN 0.196 nan 8.270 nan 0.000 0.631 527 F N 0.586 120.465 119.950 -0.119 0.000 2.128 527 F HA -0.059 4.469 4.527 0.000 0.000 0.295 527 F C 1.703 177.328 175.800 -0.292 0.000 1.100 527 F CA 0.794 58.687 58.000 -0.177 0.000 1.260 527 F CB -0.144 38.773 39.000 -0.138 0.000 1.009 527 F HN 0.150 nan 8.300 nan 0.000 0.476 528 L N 1.472 122.326 121.223 -0.614 0.000 2.046 528 L HA -0.006 4.334 4.340 0.000 0.000 0.208 528 L C -0.961 175.661 176.870 -0.413 0.000 1.077 528 L CA 2.021 56.446 54.840 -0.690 0.000 0.747 528 L CB -1.968 39.630 42.059 -0.769 0.000 0.896 528 L HN -0.024 nan 8.230 nan 0.000 0.432 529 P HA -0.198 nan 4.420 nan 0.000 0.217 529 P C 1.470 178.660 177.300 -0.183 0.000 1.150 529 P CA 1.602 64.616 63.100 -0.142 0.000 0.832 529 P CB -0.031 31.616 31.700 -0.089 0.000 0.787 530 K N -0.533 119.719 120.400 -0.247 0.000 2.103 530 K HA -0.108 4.212 4.320 0.000 0.000 0.204 530 K C 1.897 178.309 176.600 -0.313 0.000 1.052 530 K CA 0.771 56.919 56.287 -0.231 0.000 0.945 530 K CB -0.647 31.736 32.500 -0.195 0.000 0.722 530 K HN -0.063 nan 8.250 nan 0.000 0.443 531 L N 1.802 122.703 121.223 -0.538 0.000 1.976 531 L HA -0.158 4.183 4.340 0.000 0.000 0.209 531 L C 1.802 178.516 176.870 -0.260 0.000 1.071 531 L CA 1.715 56.260 54.840 -0.493 0.000 0.746 531 L CB -1.111 40.524 42.059 -0.708 0.000 0.890 531 L HN 0.253 nan 8.230 nan 0.000 0.432 532 L N 0.074 121.161 121.223 -0.225 0.000 2.042 532 L HA -0.240 4.100 4.340 0.000 0.000 0.210 532 L C 2.391 179.206 176.870 -0.091 0.000 1.076 532 L CA 1.724 56.488 54.840 -0.126 0.000 0.749 532 L CB -0.825 41.185 42.059 -0.081 0.000 0.893 532 L HN 0.431 nan 8.230 nan 0.000 0.432 533 N N 0.261 118.903 118.700 -0.098 0.000 2.364 533 N HA -0.145 4.596 4.740 0.000 0.000 0.183 533 N C 1.338 176.810 175.510 -0.063 0.000 1.022 533 N CA 1.226 54.234 53.050 -0.069 0.000 0.883 533 N CB 0.081 38.529 38.487 -0.066 0.000 0.965 533 N HN 0.306 nan 8.380 nan 0.000 0.438 534 A N -1.320 121.452 122.820 -0.081 0.000 2.348 534 A HA 0.292 4.612 4.320 0.000 0.000 0.224 534 A C 0.258 177.810 177.584 -0.053 0.000 1.227 534 A CA 0.474 52.474 52.037 -0.062 0.000 0.885 534 A CB -0.075 18.884 19.000 -0.068 0.000 0.933 534 A HN 0.371 nan 8.150 nan 0.000 0.506 535 T N 0.000 114.519 114.554 -0.058 0.000 3.816 535 T HA 0.000 4.350 4.350 0.000 0.000 0.228 535 T CA 0.000 62.073 62.100 -0.045 0.000 1.349 535 T CB 0.000 68.839 68.868 -0.049 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658