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 1w6r_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN 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 0.000 174.650 174.600 0.083 0.000 1.055 4 S CA 0.000 58.232 58.200 0.053 0.000 1.107 4 S CB 0.000 63.230 63.200 0.050 0.000 0.593 5 E N 2.387 122.640 120.200 0.089 0.000 2.265 5 E HA 0.001 4.350 4.350 -0.001 0.000 0.196 5 E C 0.947 177.674 176.600 0.212 0.000 0.996 5 E CA 1.007 57.487 56.400 0.133 0.000 0.832 5 E CB -0.070 29.696 29.700 0.110 0.000 0.756 5 E HN 0.718 nan 8.360 nan 0.000 0.491 6 L N 0.967 122.283 121.223 0.156 0.000 2.611 6 L HA 0.182 4.521 4.340 -0.001 0.000 0.229 6 L C 0.081 177.145 176.870 0.322 0.000 1.137 6 L CA -0.378 54.561 54.840 0.164 0.000 0.901 6 L CB 0.359 42.415 42.059 -0.005 0.000 1.098 6 L HN 0.103 nan 8.230 nan 0.000 0.456 7 L N 0.706 122.088 121.223 0.264 0.000 2.313 7 L HA 0.594 4.934 4.340 -0.001 0.000 0.283 7 L C -0.690 176.264 176.870 0.139 0.000 1.013 7 L CA -0.376 54.599 54.840 0.224 0.000 0.816 7 L CB 1.730 43.864 42.059 0.124 0.000 1.236 7 L HN -0.309 nan 8.230 nan 0.000 0.419 8 V N 4.371 124.329 119.914 0.073 0.000 2.686 8 V HA 0.464 4.584 4.120 -0.001 0.000 0.306 8 V C -0.707 175.282 176.094 -0.174 0.000 1.065 8 V CA -0.812 61.361 62.300 -0.212 0.000 0.894 8 V CB 2.006 33.362 31.823 -0.778 0.000 1.004 8 V HN 0.769 nan 8.190 nan 0.000 0.424 9 N N 2.893 121.440 118.700 -0.255 0.000 2.422 9 N HA 0.585 5.324 4.740 -0.001 0.000 0.266 9 N C -0.154 175.036 175.510 -0.533 0.000 1.007 9 N CA -0.058 52.825 53.050 -0.278 0.000 0.941 9 N CB 1.543 39.867 38.487 -0.271 0.000 1.115 9 N HN 0.927 nan 8.380 nan 0.000 0.492 10 T N -0.023 114.318 114.554 -0.354 0.000 2.938 10 T HA 0.387 4.736 4.350 -0.001 0.000 0.285 10 T C 0.979 175.437 174.700 -0.403 0.000 1.028 10 T CA -0.597 61.265 62.100 -0.397 0.000 1.005 10 T CB 1.091 69.998 68.868 0.065 0.000 1.157 10 T HN 0.380 nan 8.240 nan 0.000 0.550 11 K N 0.240 120.452 120.400 -0.313 0.000 2.360 11 K HA 0.021 4.341 4.320 -0.001 0.000 0.201 11 K C 1.855 178.307 176.600 -0.246 0.000 1.046 11 K CA 0.957 57.100 56.287 -0.240 0.000 0.945 11 K CB -0.068 32.349 32.500 -0.138 0.000 0.750 11 K HN 0.451 nan 8.250 nan 0.000 0.464 12 S N -0.307 115.234 115.700 -0.266 0.000 2.535 12 S HA 0.210 4.679 4.470 -0.001 0.000 0.214 12 S C 0.496 174.386 174.600 -1.184 0.000 0.980 12 S CA 0.154 58.071 58.200 -0.471 0.000 0.907 12 S CB 1.047 64.161 63.200 -0.143 0.000 0.790 12 S HN 0.531 nan 8.310 nan 0.000 0.510 13 G N 1.126 109.435 108.800 -0.819 0.000 2.369 13 G HA2 0.112 4.071 3.960 -0.001 0.000 0.307 13 G HA3 0.112 4.071 3.960 -0.001 0.000 0.307 13 G C -1.758 173.080 174.900 -0.103 0.000 1.327 13 G CA -1.103 43.504 45.100 -0.823 0.000 0.963 13 G HN 0.025 nan 8.290 nan 0.000 0.590 14 K N -0.699 119.825 120.400 0.205 0.000 2.185 14 K HA 0.636 4.956 4.320 -0.001 0.000 0.271 14 K C -0.675 176.290 176.600 0.609 0.000 1.013 14 K CA -0.496 55.977 56.287 0.310 0.000 0.943 14 K CB 2.052 34.688 32.500 0.227 0.000 0.998 14 K HN 0.389 nan 8.250 nan 0.000 0.468 15 V N 3.307 123.501 119.914 0.468 0.000 2.841 15 V HA 0.364 4.483 4.120 -0.001 0.000 0.310 15 V C -1.208 175.178 176.094 0.487 0.000 1.090 15 V CA -0.906 61.730 62.300 0.560 0.000 0.930 15 V CB 2.072 34.266 31.823 0.618 0.000 1.014 15 V HN 0.768 nan 8.190 nan 0.000 0.425 16 M N 4.778 124.642 119.600 0.441 0.000 2.190 16 M HA 0.787 5.267 4.480 -0.001 0.000 0.312 16 M C 0.073 176.516 176.300 0.239 0.000 0.990 16 M CA 0.168 55.660 55.300 0.321 0.000 0.927 16 M CB 1.411 34.112 32.600 0.167 0.000 1.571 16 M HN 0.696 nan 8.290 nan 0.000 0.427 17 G N 1.448 110.277 108.800 0.048 0.000 2.641 17 G HA2 0.675 4.635 3.960 -0.001 0.000 0.239 17 G HA3 0.675 4.635 3.960 -0.001 0.000 0.239 17 G C -1.086 173.617 174.900 -0.329 0.000 1.402 17 G CA -0.343 44.469 45.100 -0.481 0.000 1.046 17 G HN 0.695 nan 8.290 nan 0.000 0.565 18 T N -1.681 112.630 114.554 -0.406 0.000 2.894 18 T HA 0.530 4.879 4.350 -0.001 0.000 0.309 18 T C -0.814 173.760 174.700 -0.210 0.000 1.208 18 T CA -0.677 61.282 62.100 -0.234 0.000 1.016 18 T CB 1.690 70.449 68.868 -0.182 0.000 1.192 18 T HN 0.630 nan 8.240 nan 0.000 0.491 19 R N 2.155 122.584 120.500 -0.118 0.000 2.357 19 R HA 0.700 5.040 4.340 -0.001 0.000 0.296 19 R C -0.650 175.652 176.300 0.003 0.000 1.052 19 R CA -0.485 55.585 56.100 -0.050 0.000 0.988 19 R CB 0.734 31.005 30.300 -0.047 0.000 1.025 19 R HN 0.536 nan 8.270 nan 0.000 0.469 20 V N 2.294 122.243 119.914 0.058 0.000 2.709 20 V HA 0.688 4.807 4.120 -0.001 0.000 0.308 20 V C -2.640 173.481 176.094 0.045 0.000 1.062 20 V CA -2.609 59.721 62.300 0.050 0.000 0.901 20 V CB 1.807 33.646 31.823 0.026 0.000 1.003 20 V HN 0.821 nan 8.190 nan 0.000 0.425 21 P HA 0.456 nan 4.420 nan 0.000 0.275 21 P C -0.930 176.193 177.300 -0.295 0.000 1.228 21 P CA -0.158 62.752 63.100 -0.316 0.000 0.786 21 P CB 1.638 33.185 31.700 -0.255 0.000 0.927 22 V N 3.127 122.790 119.914 -0.418 0.000 2.653 22 V HA 0.147 4.267 4.120 -0.001 0.000 0.298 22 V C 0.525 176.331 176.094 -0.479 0.000 1.097 22 V CA -0.961 61.087 62.300 -0.420 0.000 0.908 22 V CB 1.213 32.688 31.823 -0.581 0.000 1.024 22 V HN 0.463 nan 8.190 nan 0.000 0.435 23 L N 4.089 125.175 121.223 -0.228 0.000 3.854 23 L HA -0.285 4.055 4.340 -0.001 0.000 0.460 23 L C 1.253 178.000 176.870 -0.205 0.000 1.228 23 L CA 0.966 55.707 54.840 -0.165 0.000 0.760 23 L CB -1.357 40.639 42.059 -0.104 0.000 1.597 23 L HN 1.578 nan 8.230 nan 0.000 0.852 24 S N -3.230 112.347 115.700 -0.206 0.000 3.380 24 S HA -0.254 4.215 4.470 -0.001 0.000 0.300 24 S C 0.265 174.743 174.600 -0.202 0.000 1.255 24 S CA 1.450 59.547 58.200 -0.173 0.000 0.963 24 S CB -1.119 62.036 63.200 -0.075 0.000 1.106 24 S HN 1.043 nan 8.310 nan 0.000 0.629 25 S N -0.658 114.828 115.700 -0.356 0.000 2.971 25 S HA 0.888 5.357 4.470 -0.001 0.000 0.320 25 S C -1.081 173.228 174.600 -0.486 0.000 1.111 25 S CA -0.222 57.829 58.200 -0.249 0.000 0.870 25 S CB 1.248 64.378 63.200 -0.118 0.000 1.331 25 S HN 0.767 nan 8.310 nan 0.000 0.635 26 H N -0.529 118.495 119.070 -0.077 0.000 3.037 26 H HA 0.714 5.269 4.556 -0.001 0.000 0.355 26 H C -0.649 174.703 175.328 0.040 0.000 1.263 26 H CA -0.347 55.674 56.048 -0.045 0.000 1.129 26 H CB 1.433 31.187 29.762 -0.012 0.000 1.861 26 H HN 0.728 nan 8.280 nan 0.000 0.546 27 I N -2.242 118.435 120.570 0.178 0.000 3.354 27 I HA 0.720 4.890 4.170 -0.001 0.000 0.316 27 I C -1.024 175.182 176.117 0.149 0.000 1.182 27 I CA -1.051 60.370 61.300 0.201 0.000 0.942 27 I CB 2.440 40.591 38.000 0.251 0.000 1.299 27 I HN 0.404 nan 8.210 nan 0.000 0.473 28 S N 1.109 116.900 115.700 0.152 0.000 2.617 28 S HA 0.859 5.329 4.470 -0.001 0.000 0.283 28 S C -0.323 174.256 174.600 -0.035 0.000 1.189 28 S CA -0.547 57.659 58.200 0.011 0.000 1.036 28 S CB 1.600 64.838 63.200 0.064 0.000 1.014 28 S HN 0.888 nan 8.310 nan 0.000 0.522 29 A N 1.710 124.330 122.820 -0.334 0.000 2.422 29 A HA 0.786 5.105 4.320 -0.001 0.000 0.302 29 A C -1.495 175.716 177.584 -0.623 0.000 1.041 29 A CA -0.646 51.138 52.037 -0.422 0.000 0.708 29 A CB 0.606 19.349 19.000 -0.428 0.000 1.257 29 A HN 0.652 nan 8.150 nan 0.000 0.414 30 F N 2.724 122.552 119.950 -0.205 0.000 2.434 30 F HA 0.455 4.981 4.527 -0.001 0.000 0.367 30 F C -0.168 175.527 175.800 -0.175 0.000 1.093 30 F CA -0.320 57.641 58.000 -0.065 0.000 1.085 30 F CB 1.236 40.301 39.000 0.109 0.000 1.322 30 F HN 0.368 nan 8.300 nan 0.000 0.452 31 L N 2.022 123.203 121.223 -0.070 0.000 2.325 31 L HA 0.698 5.038 4.340 -0.001 0.000 0.279 31 L C 1.046 177.949 176.870 0.056 0.000 1.054 31 L CA -0.932 53.861 54.840 -0.078 0.000 0.804 31 L CB 1.418 43.346 42.059 -0.219 0.000 1.200 31 L HN 0.816 nan 8.230 nan 0.000 0.436 32 G N 2.867 111.722 108.800 0.092 0.000 2.225 32 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.264 32 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.264 32 G C -0.080 174.900 174.900 0.133 0.000 1.060 32 G CA -0.333 44.813 45.100 0.075 0.000 0.833 32 G HN 0.485 nan 8.290 nan 0.000 0.498 33 I N 2.253 122.832 120.570 0.016 0.000 2.471 33 I HA 0.221 4.390 4.170 -0.001 0.000 0.286 33 I C -1.334 174.583 176.117 -0.333 0.000 1.079 33 I CA -2.037 59.097 61.300 -0.278 0.000 1.398 33 I CB 1.050 38.867 38.000 -0.305 0.000 1.403 33 I HN -0.002 nan 8.210 nan 0.000 0.530 34 P HA 0.068 nan 4.420 nan 0.000 0.280 34 P C -0.369 176.541 177.300 -0.650 0.000 1.244 34 P CA -0.009 62.579 63.100 -0.854 0.000 0.784 34 P CB 0.708 31.828 31.700 -0.968 0.000 0.913 35 F N 0.546 120.165 119.950 -0.552 0.000 2.798 35 F HA 0.732 5.258 4.527 -0.001 0.000 0.328 35 F C 0.004 175.699 175.800 -0.174 0.000 1.098 35 F CA -0.882 56.872 58.000 -0.410 0.000 1.172 35 F CB 0.005 38.743 39.000 -0.437 0.000 1.072 35 F HN 0.356 nan 8.300 nan 0.000 0.555 36 A N 0.019 122.496 122.820 -0.572 0.000 2.593 36 A HA 0.646 4.965 4.320 -0.001 0.000 0.290 36 A C -0.864 176.538 177.584 -0.303 0.000 1.126 36 A CA -0.750 51.116 52.037 -0.286 0.000 0.695 36 A CB 1.085 19.914 19.000 -0.284 0.000 1.290 36 A HN 0.045 nan 8.150 nan 0.000 0.414 37 E N 0.825 120.939 120.200 -0.144 0.000 2.383 37 E HA 0.299 4.649 4.350 -0.001 0.000 0.264 37 E C -2.341 174.167 176.600 -0.154 0.000 1.050 37 E CA -1.444 54.890 56.400 -0.110 0.000 0.896 37 E CB 0.153 29.832 29.700 -0.035 0.000 0.982 37 E HN 0.239 nan 8.360 nan 0.000 0.424 38 P HA 0.004 nan 4.420 nan 0.000 0.261 38 P C -2.266 174.981 177.300 -0.089 0.000 1.183 38 P CA -0.587 62.442 63.100 -0.117 0.000 0.761 38 P CB 0.069 31.739 31.700 -0.050 0.000 0.785 39 P HA 0.059 nan 4.420 nan 0.000 0.219 39 P C -0.590 176.663 177.300 -0.079 0.000 1.847 39 P CA -0.080 62.975 63.100 -0.074 0.000 1.059 39 P CB 0.129 31.789 31.700 -0.066 0.000 1.900 40 V N -1.348 118.525 119.914 -0.068 0.000 3.019 40 V HA 0.920 5.040 4.120 -0.001 0.000 0.317 40 V C 0.824 176.880 176.094 -0.064 0.000 1.094 40 V CA 0.125 62.384 62.300 -0.069 0.000 1.000 40 V CB 0.933 32.725 31.823 -0.052 0.000 1.060 40 V HN 0.627 nan 8.190 nan 0.000 0.443 41 G N 1.630 110.388 108.800 -0.070 0.000 2.591 41 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.298 41 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.298 41 G C 0.906 175.762 174.900 -0.073 0.000 1.195 41 G CA 1.374 46.437 45.100 -0.062 0.000 0.989 41 G HN 2.140 nan 8.290 nan 0.000 0.551 42 N N -0.087 118.588 118.700 -0.042 0.000 2.573 42 N HA 0.236 4.976 4.740 -0.001 0.000 0.187 42 N C 2.274 177.771 175.510 -0.022 0.000 1.107 42 N CA 2.086 55.121 53.050 -0.024 0.000 0.918 42 N CB -0.355 38.134 38.487 0.003 0.000 0.966 42 N HN 0.654 nan 8.380 nan 0.000 0.448 43 M N -0.362 119.214 119.600 -0.040 0.000 2.556 43 M HA 0.074 4.554 4.480 -0.001 0.000 0.245 43 M C 1.109 177.365 176.300 -0.074 0.000 1.128 43 M CA -0.134 55.145 55.300 -0.035 0.000 1.069 43 M CB 0.195 32.776 32.600 -0.031 0.000 1.469 43 M HN 0.309 nan 8.290 nan 0.000 0.494 44 R N 0.714 121.117 120.500 -0.161 0.000 2.522 44 R HA -0.062 4.277 4.340 -0.001 0.000 0.284 44 R C -0.434 175.639 176.300 -0.378 0.000 1.032 44 R CA 0.673 56.550 56.100 -0.370 0.000 1.049 44 R CB 0.164 30.107 30.300 -0.596 0.000 0.956 44 R HN 0.240 nan 8.270 nan 0.000 0.422 45 F N -0.445 119.498 119.950 -0.012 0.000 2.502 45 F HA -0.284 4.242 4.527 -0.001 0.000 0.480 45 F C 0.495 176.272 175.800 -0.038 0.000 0.543 45 F CA 0.840 58.808 58.000 -0.054 0.000 1.350 45 F CB -1.389 37.563 39.000 -0.079 0.000 1.999 45 F HN 0.625 nan 8.300 nan 0.000 0.267 46 R N 1.652 122.216 120.500 0.107 0.000 2.615 46 R HA 0.460 4.800 4.340 -0.001 0.000 0.270 46 R C 0.714 177.042 176.300 0.046 0.000 1.081 46 R CA -0.819 55.323 56.100 0.070 0.000 1.154 46 R CB 0.513 30.840 30.300 0.044 0.000 1.063 46 R HN 0.139 nan 8.270 nan 0.000 0.519 47 R N 2.078 122.606 120.500 0.046 0.000 2.698 47 R HA 0.037 4.377 4.340 -0.001 0.000 0.266 47 R C -1.845 174.481 176.300 0.043 0.000 1.026 47 R CA -0.885 55.242 56.100 0.046 0.000 1.102 47 R CB -0.187 30.146 30.300 0.054 0.000 0.978 47 R HN 0.423 nan 8.270 nan 0.000 0.436 48 P HA 0.066 nan 4.420 nan 0.000 0.274 48 P C -0.898 176.434 177.300 0.055 0.000 1.231 48 P CA -0.034 63.096 63.100 0.050 0.000 0.790 48 P CB 0.886 32.640 31.700 0.091 0.000 0.951 49 E N 2.177 122.398 120.200 0.035 0.000 2.191 49 E HA 0.368 4.718 4.350 -0.001 0.000 0.274 49 E C -2.161 174.471 176.600 0.053 0.000 0.948 49 E CA -2.391 54.035 56.400 0.043 0.000 0.802 49 E CB 0.925 30.641 29.700 0.027 0.000 1.137 49 E HN 0.384 nan 8.360 nan 0.000 0.397 50 P HA 0.009 nan 4.420 nan 0.000 0.269 50 P C -0.195 177.159 177.300 0.091 0.000 1.209 50 P CA -0.352 62.818 63.100 0.117 0.000 0.776 50 P CB 0.651 32.428 31.700 0.127 0.000 0.876 51 K N 3.548 124.011 120.400 0.105 0.000 2.416 51 K HA 0.053 4.373 4.320 -0.001 0.000 0.283 51 K C 0.173 176.867 176.600 0.156 0.000 1.037 51 K CA 0.104 56.449 56.287 0.095 0.000 0.995 51 K CB -0.030 32.522 32.500 0.086 0.000 0.938 51 K HN 0.159 nan 8.250 nan 0.000 0.475 52 K N 5.840 126.327 120.400 0.144 0.000 2.451 52 K HA 0.122 4.441 4.320 -0.001 0.000 0.280 52 K C -2.247 174.461 176.600 0.180 0.000 1.020 52 K CA -1.720 54.648 56.287 0.135 0.000 1.008 52 K CB -0.032 32.540 32.500 0.121 0.000 0.917 52 K HN 0.560 nan 8.250 nan 0.000 0.478 53 P HA -0.027 nan 4.420 nan 0.000 0.267 53 P C -0.821 176.503 177.300 0.040 0.000 1.201 53 P CA 0.063 63.091 63.100 -0.119 0.000 0.775 53 P CB 0.237 31.828 31.700 -0.180 0.000 0.854 54 W N 0.950 122.328 121.300 0.131 0.000 2.781 54 W HA 0.690 5.349 4.660 -0.001 0.000 0.345 54 W C -0.592 176.002 176.519 0.124 0.000 1.085 54 W CA -0.932 56.505 57.345 0.153 0.000 1.198 54 W CB 0.145 29.762 29.460 0.262 0.000 1.423 54 W HN 0.384 nan 8.180 nan 0.000 0.532 55 S N 1.849 117.719 115.700 0.284 0.000 2.730 55 S HA 0.884 5.354 4.470 -0.001 0.000 0.284 55 S C 0.502 175.292 174.600 0.316 0.000 1.153 55 S CA 0.007 58.317 58.200 0.184 0.000 0.995 55 S CB 0.839 64.106 63.200 0.112 0.000 1.058 55 S HN 2.209 nan 8.310 nan 0.000 0.552 56 G N -0.750 108.182 108.800 0.219 0.000 2.741 56 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.222 56 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.222 56 G C -0.860 174.237 174.900 0.328 0.000 1.364 56 G CA -0.400 44.830 45.100 0.216 0.000 0.866 56 G HN 1.596 nan 8.290 nan 0.000 0.555 57 V N 0.827 120.885 119.914 0.240 0.000 2.417 57 V HA 0.505 4.625 4.120 -0.001 0.000 0.291 57 V C 0.355 176.559 176.094 0.183 0.000 1.024 57 V CA -0.581 61.883 62.300 0.273 0.000 0.861 57 V CB 1.764 33.687 31.823 0.166 0.000 0.985 57 V HN 0.722 nan 8.190 nan 0.000 0.436 58 W N 5.365 126.728 121.300 0.105 0.000 2.304 58 W HA 0.228 4.888 4.660 -0.001 0.000 0.313 58 W C 0.208 176.709 176.519 -0.030 0.000 1.323 58 W CA -0.375 56.869 57.345 -0.167 0.000 1.223 58 W CB 0.921 30.099 29.460 -0.470 0.000 1.237 58 W HN 0.640 nan 8.180 nan 0.000 0.535 59 N N 4.675 123.127 118.700 -0.413 0.000 2.402 59 N HA 0.205 4.944 4.740 -0.001 0.000 0.252 59 N C -0.460 175.062 175.510 0.021 0.000 1.118 59 N CA 0.192 53.142 53.050 -0.167 0.000 0.945 59 N CB 0.912 39.236 38.487 -0.270 0.000 1.147 59 N HN 0.377 nan 8.380 nan 0.000 0.495 60 A N 2.762 125.704 122.820 0.204 0.000 3.106 60 A HA 0.191 4.511 4.320 -0.001 0.000 0.306 60 A C 1.068 178.675 177.584 0.039 0.000 1.192 60 A CA -0.387 51.794 52.037 0.239 0.000 0.994 60 A CB -0.479 18.758 19.000 0.395 0.000 1.107 60 A HN 0.639 nan 8.150 nan 0.000 0.585 61 S N -0.869 114.811 115.700 -0.034 0.000 2.517 61 S HA 0.138 4.608 4.470 -0.001 0.000 0.214 61 S C 0.830 175.346 174.600 -0.140 0.000 0.991 61 S CA 0.644 58.778 58.200 -0.110 0.000 0.906 61 S CB -0.287 62.854 63.200 -0.099 0.000 0.789 61 S HN 0.832 nan 8.310 nan 0.000 0.513 62 T N -1.072 113.419 114.554 -0.106 0.000 2.906 62 T HA 0.635 4.984 4.350 -0.001 0.000 0.295 62 T C -0.829 173.843 174.700 -0.047 0.000 1.061 62 T CA -0.791 61.240 62.100 -0.116 0.000 1.000 62 T CB 0.713 69.535 68.868 -0.078 0.000 1.103 62 T HN 0.056 nan 8.240 nan 0.000 0.486 63 Y N 2.890 123.155 120.300 -0.059 0.000 2.683 63 Y HA 0.303 4.852 4.550 -0.001 0.000 0.340 63 Y C -1.359 174.477 175.900 -0.107 0.000 1.245 63 Y CA -1.366 56.700 58.100 -0.057 0.000 1.485 63 Y CB 0.052 38.501 38.460 -0.018 0.000 1.328 63 Y HN 0.547 nan 8.280 nan 0.000 0.603 64 P HA 0.091 nan 4.420 nan 0.000 0.279 64 P C -0.640 176.587 177.300 -0.121 0.000 1.276 64 P CA -0.518 62.462 63.100 -0.200 0.000 0.801 64 P CB 0.928 32.430 31.700 -0.330 0.000 1.127 65 N N 0.300 118.906 118.700 -0.157 0.000 2.371 65 N HA 0.098 4.838 4.740 -0.001 0.000 0.243 65 N C 0.057 175.541 175.510 -0.043 0.000 1.287 65 N CA 0.224 53.225 53.050 -0.080 0.000 0.911 65 N CB -0.204 38.246 38.487 -0.062 0.000 1.142 65 N HN 0.428 nan 8.380 nan 0.000 0.451 66 N N -0.834 117.832 118.700 -0.057 0.000 2.466 66 N HA 0.313 5.053 4.740 -0.001 0.000 0.294 66 N C -0.432 175.040 175.510 -0.063 0.000 1.129 66 N CA -0.701 52.309 53.050 -0.067 0.000 0.931 66 N CB 1.064 39.487 38.487 -0.108 0.000 1.193 66 N HN 0.406 nan 8.380 nan 0.000 0.500 67 c N 1.109 119.674 118.600 -0.060 0.000 2.700 67 c HA 0.051 4.621 4.570 -0.001 0.000 0.397 67 c C 0.697 174.704 174.090 -0.139 0.000 1.301 67 c CA -0.586 55.686 56.329 -0.095 0.000 2.219 67 c CB -0.085 42.394 42.510 -0.053 0.000 2.699 67 c HN 0.533 nan 8.230 nan 0.000 0.669 68 Q N 2.304 121.938 119.800 -0.276 0.000 2.330 68 Q HA 0.242 4.582 4.340 -0.001 0.000 0.279 68 Q C -0.081 175.854 176.000 -0.107 0.000 1.024 68 Q CA 0.946 56.568 55.803 -0.302 0.000 0.900 68 Q CB 0.574 28.884 28.738 -0.715 0.000 1.221 68 Q HN 0.891 nan 8.270 nan 0.000 0.396 69 Q N 1.145 120.979 119.800 0.056 0.000 2.633 69 Q HA 0.262 4.602 4.340 -0.001 0.000 0.289 69 Q C -1.369 174.818 176.000 0.311 0.000 0.940 69 Q CA -0.982 54.962 55.803 0.236 0.000 0.785 69 Q CB 0.620 29.469 28.738 0.185 0.000 1.467 69 Q HN 0.490 nan 8.270 nan 0.000 0.401 70 Y N 1.339 121.851 120.300 0.352 0.000 2.544 70 Y HA 0.316 4.866 4.550 -0.001 0.000 0.330 70 Y C -0.850 175.255 175.900 0.341 0.000 1.136 70 Y CA 0.211 58.545 58.100 0.390 0.000 1.417 70 Y CB 0.766 39.569 38.460 0.572 0.000 1.229 70 Y HN 0.448 nan 8.280 nan 0.000 0.532 71 V N 6.759 126.528 119.914 -0.241 0.000 2.439 71 V HA 0.079 4.199 4.120 -0.001 0.000 0.282 71 V C -0.220 175.730 176.094 -0.240 0.000 1.039 71 V CA -0.900 61.325 62.300 -0.126 0.000 0.913 71 V CB 1.386 33.158 31.823 -0.085 0.000 0.983 71 V HN 0.720 nan 8.190 nan 0.000 0.460 72 D N 3.921 124.371 120.400 0.083 0.000 2.358 72 D HA 0.094 4.734 4.640 -0.001 0.000 0.258 72 D C 0.656 177.027 176.300 0.119 0.000 1.223 72 D CA 0.118 54.248 54.000 0.216 0.000 0.886 72 D CB 0.900 41.953 40.800 0.423 0.000 1.120 72 D HN 0.590 nan 8.370 nan 0.000 0.482 73 E N 3.086 123.312 120.200 0.043 0.000 2.603 73 E HA -0.062 4.288 4.350 -0.001 0.000 0.211 73 E C 1.011 177.567 176.600 -0.073 0.000 0.995 73 E CA -0.092 56.307 56.400 -0.000 0.000 0.990 73 E CB 0.588 30.261 29.700 -0.045 0.000 1.036 73 E HN 0.466 nan 8.360 nan 0.000 0.475 74 Q N 0.221 119.945 119.800 -0.125 0.000 2.135 74 Q HA -0.097 4.243 4.340 -0.001 0.000 0.204 74 Q C -0.131 175.314 176.000 -0.924 0.000 0.981 74 Q CA 1.381 56.828 55.803 -0.594 0.000 0.856 74 Q CB 0.049 28.234 28.738 -0.921 0.000 0.902 74 Q HN 0.100 nan 8.270 nan 0.000 0.425 75 F N 0.114 120.108 119.950 0.074 0.000 2.646 75 F HA 0.404 4.930 4.527 -0.001 0.000 0.336 75 F C -2.263 173.617 175.800 0.132 0.000 1.437 75 F CA -2.952 55.094 58.000 0.077 0.000 1.142 75 F CB 1.081 40.149 39.000 0.113 0.000 1.530 75 F HN -0.132 nan 8.300 nan 0.000 0.591 76 P HA 0.067 nan 4.420 nan 0.000 0.257 76 P C 1.061 178.448 177.300 0.145 0.000 1.162 76 P CA 1.568 64.741 63.100 0.121 0.000 0.762 76 P CB 0.440 32.176 31.700 0.059 0.000 0.753 77 G N 2.711 111.583 108.800 0.119 0.000 2.212 77 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.266 77 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.266 77 G C 0.093 175.057 174.900 0.107 0.000 0.978 77 G CA -0.253 44.897 45.100 0.083 0.000 0.632 77 G HN 0.558 nan 8.290 nan 0.000 0.537 78 F N 3.048 122.999 119.950 0.002 0.000 2.504 78 F HA 0.501 5.028 4.527 -0.001 0.000 0.369 78 F C 1.663 177.387 175.800 -0.127 0.000 1.082 78 F CA -0.143 57.801 58.000 -0.092 0.000 1.216 78 F CB 1.091 40.023 39.000 -0.113 0.000 1.108 78 F HN 0.259 nan 8.300 nan 0.000 0.554 79 S N 3.525 118.710 115.700 -0.858 0.000 2.382 79 S HA -0.101 4.368 4.470 -0.001 0.000 0.228 79 S C 2.177 176.259 174.600 -0.863 0.000 1.027 79 S CA 0.925 58.688 58.200 -0.728 0.000 0.991 79 S CB -1.288 61.580 63.200 -0.554 0.000 0.823 79 S HN 0.852 nan 8.310 nan 0.000 0.469 80 G N 0.882 108.666 108.800 -1.693 0.000 2.450 80 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.220 80 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.220 80 G C 1.627 176.638 174.900 0.186 0.000 1.130 80 G CA 1.112 45.654 45.100 -0.930 0.000 0.760 80 G HN 0.649 nan 8.290 nan 0.000 0.557 81 S N -0.342 115.449 115.700 0.152 0.000 2.427 81 S HA 0.020 4.490 4.470 -0.001 0.000 0.224 81 S C 2.140 176.973 174.600 0.388 0.000 1.047 81 S CA 0.911 59.538 58.200 0.711 0.000 0.953 81 S CB -0.155 63.573 63.200 0.881 0.000 0.824 81 S HN 0.246 nan 8.310 nan 0.000 0.502 82 E N 2.087 122.348 120.200 0.102 0.000 2.268 82 E HA -0.109 4.241 4.350 -0.001 0.000 0.195 82 E C 2.012 178.550 176.600 -0.104 0.000 0.995 82 E CA 1.109 57.520 56.400 0.018 0.000 0.836 82 E CB -0.523 29.148 29.700 -0.049 0.000 0.763 82 E HN 0.866 nan 8.360 nan 0.000 0.491 83 M N -2.489 116.950 119.600 -0.269 0.000 2.446 83 M HA -0.072 4.407 4.480 -0.001 0.000 0.263 83 M C 1.228 177.148 176.300 -0.635 0.000 1.066 83 M CA 1.371 56.355 55.300 -0.527 0.000 1.087 83 M CB -0.478 31.674 32.600 -0.746 0.000 1.406 83 M HN 0.003 nan 8.290 nan 0.000 0.459 84 W N 0.720 121.966 121.300 -0.089 0.000 3.013 84 W HA 0.287 4.946 4.660 -0.001 0.000 0.280 84 W C 0.520 176.973 176.519 -0.110 0.000 1.249 84 W CA -0.941 56.324 57.345 -0.133 0.000 1.577 84 W CB -0.075 29.343 29.460 -0.071 0.000 1.057 84 W HN 0.090 nan 8.180 nan 0.000 0.613 85 N N 1.671 120.437 118.700 0.110 0.000 2.444 85 N HA 0.113 4.853 4.740 -0.001 0.000 0.255 85 N C -2.445 173.046 175.510 -0.032 0.000 1.255 85 N CA -1.305 51.781 53.050 0.059 0.000 0.933 85 N CB -0.091 38.434 38.487 0.064 0.000 1.143 85 N HN -0.339 nan 8.380 nan 0.000 0.453 86 P HA 0.050 nan 4.420 nan 0.000 0.265 86 P C 0.191 177.444 177.300 -0.080 0.000 1.193 86 P CA 0.044 63.096 63.100 -0.081 0.000 0.765 86 P CB 0.296 31.958 31.700 -0.063 0.000 0.823 87 N N 2.231 120.868 118.700 -0.104 0.000 2.204 87 N HA 0.075 4.815 4.740 -0.001 0.000 0.219 87 N C 0.203 175.674 175.510 -0.065 0.000 1.151 87 N CA 0.037 53.035 53.050 -0.086 0.000 0.867 87 N CB 0.375 38.799 38.487 -0.104 0.000 1.043 87 N HN 0.167 nan 8.380 nan 0.000 0.516 88 R N 0.002 120.460 120.500 -0.071 0.000 2.905 88 R HA 0.314 4.653 4.340 -0.001 0.000 0.260 88 R C -0.426 175.842 176.300 -0.052 0.000 1.086 88 R CA -0.658 55.411 56.100 -0.053 0.000 0.978 88 R CB 1.082 31.346 30.300 -0.061 0.000 1.215 88 R HN 0.193 nan 8.270 nan 0.000 0.480 89 E N 1.496 121.668 120.200 -0.047 0.000 2.392 89 E HA 0.079 4.428 4.350 -0.001 0.000 0.264 89 E C -0.350 176.217 176.600 -0.055 0.000 1.024 89 E CA 0.118 56.490 56.400 -0.046 0.000 0.903 89 E CB 0.705 30.379 29.700 -0.043 0.000 0.963 89 E HN 0.249 nan 8.360 nan 0.000 0.432 90 M N 1.900 121.467 119.600 -0.056 0.000 2.274 90 M HA 0.180 4.660 4.480 -0.001 0.000 0.344 90 M C 0.034 176.286 176.300 -0.080 0.000 1.161 90 M CA 0.111 55.368 55.300 -0.072 0.000 1.126 90 M CB 1.544 34.101 32.600 -0.072 0.000 1.522 90 M HN 0.308 nan 8.290 nan 0.000 0.461 91 S N 0.405 116.047 115.700 -0.097 0.000 2.537 91 S HA 0.229 4.699 4.470 -0.001 0.000 0.271 91 S C 0.035 174.551 174.600 -0.140 0.000 1.148 91 S CA -0.679 57.462 58.200 -0.099 0.000 0.868 91 S CB 1.501 64.669 63.200 -0.053 0.000 1.115 91 S HN 0.827 nan 8.310 nan 0.000 0.461 92 E N 0.955 121.053 120.200 -0.170 0.000 2.338 92 E HA -0.071 4.278 4.350 -0.001 0.000 0.197 92 E C -0.312 176.226 176.600 -0.104 0.000 1.007 92 E CA 0.497 56.777 56.400 -0.199 0.000 0.849 92 E CB 0.134 29.719 29.700 -0.190 0.000 0.774 92 E HN 0.501 nan 8.360 nan 0.000 0.506 93 D N 0.311 120.684 120.400 -0.046 0.000 2.453 93 D HA 0.003 4.642 4.640 -0.001 0.000 0.223 93 D C -0.083 176.295 176.300 0.129 0.000 1.183 93 D CA -0.318 53.697 54.000 0.024 0.000 0.933 93 D CB 0.052 40.888 40.800 0.060 0.000 1.038 93 D HN 0.130 nan 8.370 nan 0.000 0.513 94 c N 2.623 121.269 118.600 0.077 0.000 3.798 94 c HA 0.376 4.945 4.570 -0.001 0.000 0.285 94 c C 0.444 174.587 174.090 0.088 0.000 1.968 94 c CA -0.699 55.739 56.329 0.182 0.000 1.685 94 c CB -1.321 41.221 42.510 0.054 0.000 3.276 94 c HN 0.430 nan 8.230 nan 0.000 0.525 95 L N 2.600 123.610 121.223 -0.355 0.000 2.375 95 L HA 0.447 4.787 4.340 -0.001 0.000 0.276 95 L C -0.843 175.210 176.870 -1.362 0.000 1.162 95 L CA 0.455 54.839 54.840 -0.760 0.000 0.991 95 L CB -0.512 40.993 42.059 -0.924 0.000 1.315 95 L HN 0.375 nan 8.230 nan 0.000 0.431 96 Y N 2.231 122.369 120.300 -0.269 0.000 2.605 96 Y HA 0.684 5.234 4.550 -0.001 0.000 0.343 96 Y C -0.163 175.889 175.900 0.253 0.000 1.036 96 Y CA -1.249 56.785 58.100 -0.111 0.000 1.065 96 Y CB 1.941 40.350 38.460 -0.085 0.000 1.288 96 Y HN 0.210 nan 8.280 nan 0.000 0.481 97 L N -0.243 121.157 121.223 0.295 0.000 2.350 97 L HA 0.774 5.114 4.340 -0.001 0.000 0.260 97 L C -1.369 175.551 176.870 0.083 0.000 1.015 97 L CA -1.144 53.808 54.840 0.186 0.000 0.821 97 L CB 1.872 43.958 42.059 0.045 0.000 1.370 97 L HN 0.464 nan 8.230 nan 0.000 0.416 98 N N 1.589 120.340 118.700 0.085 0.000 2.238 98 N HA 0.725 5.465 4.740 -0.001 0.000 0.302 98 N C -1.331 174.119 175.510 -0.100 0.000 1.072 98 N CA -0.235 52.779 53.050 -0.060 0.000 0.792 98 N CB 2.740 41.178 38.487 -0.082 0.000 1.425 98 N HN 0.668 nan 8.380 nan 0.000 0.478 99 I N 0.337 120.773 120.570 -0.224 0.000 2.499 99 I HA 0.395 4.564 4.170 -0.001 0.000 0.288 99 I C -0.728 175.356 176.117 -0.056 0.000 1.048 99 I CA -0.731 60.538 61.300 -0.052 0.000 1.062 99 I CB 2.212 40.124 38.000 -0.146 0.000 1.238 99 I HN 0.233 nan 8.210 nan 0.000 0.426 100 W N 5.679 127.115 121.300 0.225 0.000 2.429 100 W HA 0.588 5.247 4.660 -0.001 0.000 0.314 100 W C -0.972 175.688 176.519 0.236 0.000 1.062 100 W CA -0.656 56.815 57.345 0.210 0.000 1.211 100 W CB 2.206 31.761 29.460 0.159 0.000 1.305 100 W HN 0.102 nan 8.180 nan 0.000 0.476 101 V N 5.131 125.317 119.914 0.453 0.000 2.483 101 V HA 0.252 4.372 4.120 -0.001 0.000 0.297 101 V C -2.005 174.284 176.094 0.325 0.000 1.027 101 V CA -2.329 60.210 62.300 0.398 0.000 0.855 101 V CB 1.909 34.041 31.823 0.515 0.000 0.995 101 V HN 0.262 nan 8.190 nan 0.000 0.424 102 P HA 0.063 nan 4.420 nan 0.000 0.267 102 P C -0.483 176.941 177.300 0.208 0.000 1.201 102 P CA 0.387 63.618 63.100 0.219 0.000 0.775 102 P CB 0.500 32.291 31.700 0.152 0.000 0.854 103 S N 1.583 117.402 115.700 0.197 0.000 2.561 103 S HA 0.573 5.043 4.470 -0.001 0.000 0.303 103 S C -2.447 172.237 174.600 0.139 0.000 1.110 103 S CA -1.537 56.763 58.200 0.168 0.000 1.034 103 S CB 0.212 63.514 63.200 0.169 0.000 1.010 103 S HN 0.256 nan 8.310 nan 0.000 0.482 104 P HA 0.211 nan 4.420 nan 0.000 0.272 104 P C -0.577 176.793 177.300 0.117 0.000 1.230 104 P CA -0.640 62.523 63.100 0.104 0.000 0.788 104 P CB 0.427 32.174 31.700 0.078 0.000 0.949 105 R N 2.021 122.598 120.500 0.129 0.000 2.486 105 R HA 0.075 4.415 4.340 -0.001 0.000 0.303 105 R C -1.873 174.492 176.300 0.109 0.000 0.958 105 R CA -0.818 55.368 56.100 0.143 0.000 1.077 105 R CB -0.529 29.859 30.300 0.146 0.000 0.921 105 R HN 0.370 nan 8.270 nan 0.000 0.406 106 P HA 0.042 nan 4.420 nan 0.000 0.273 106 P C -0.177 177.162 177.300 0.063 0.000 1.250 106 P CA -0.333 62.815 63.100 0.080 0.000 0.793 106 P CB 0.687 32.438 31.700 0.085 0.000 1.011 107 K N -0.613 119.811 120.400 0.040 0.000 2.214 107 K HA 0.160 4.480 4.320 -0.001 0.000 0.201 107 K C 0.523 177.126 176.600 0.004 0.000 1.049 107 K CA 0.958 57.257 56.287 0.021 0.000 0.978 107 K CB -0.211 32.297 32.500 0.012 0.000 0.842 107 K HN 0.296 nan 8.250 nan 0.000 0.474 108 S N 0.928 116.632 115.700 0.007 0.000 2.592 108 S HA 0.173 4.642 4.470 -0.001 0.000 0.151 108 S C -1.023 173.580 174.600 0.004 0.000 1.280 108 S CA -0.330 57.866 58.200 -0.008 0.000 1.187 108 S CB 0.430 63.614 63.200 -0.026 0.000 1.471 108 S HN 0.151 nan 8.310 nan 0.000 0.409 109 T N 1.633 116.201 114.554 0.022 0.000 2.937 109 T HA 0.556 4.906 4.350 -0.001 0.000 0.283 109 T C 0.094 174.809 174.700 0.025 0.000 1.012 109 T CA -0.100 62.015 62.100 0.026 0.000 0.997 109 T CB 1.133 70.027 68.868 0.043 0.000 1.136 109 T HN 0.402 nan 8.240 nan 0.000 0.551 110 T N 2.212 116.777 114.554 0.018 0.000 2.905 110 T HA 0.267 4.616 4.350 -0.001 0.000 0.299 110 T C -0.282 174.441 174.700 0.039 0.000 1.024 110 T CA -0.066 62.041 62.100 0.012 0.000 1.151 110 T CB 0.035 68.899 68.868 -0.007 0.000 0.987 110 T HN 0.381 nan 8.240 nan 0.000 0.535 111 V N 5.682 125.624 119.914 0.047 0.000 2.459 111 V HA 0.494 4.613 4.120 -0.001 0.000 0.295 111 V C 0.042 176.193 176.094 0.095 0.000 1.029 111 V CA -0.718 61.634 62.300 0.085 0.000 0.874 111 V CB 1.593 33.471 31.823 0.091 0.000 0.985 111 V HN 0.836 nan 8.190 nan 0.000 0.438 112 M N 4.776 124.456 119.600 0.134 0.000 2.321 112 M HA 0.598 5.077 4.480 -0.001 0.000 0.315 112 M C -1.309 175.229 176.300 0.396 0.000 1.052 112 M CA -0.701 54.701 55.300 0.170 0.000 0.936 112 M CB 2.314 34.880 32.600 -0.056 0.000 1.639 112 M HN 0.338 nan 8.290 nan 0.000 0.433 113 V N 2.775 122.974 119.914 0.475 0.000 2.378 113 V HA 0.334 4.453 4.120 -0.001 0.000 0.288 113 V C -0.855 175.537 176.094 0.498 0.000 1.016 113 V CA -0.658 61.896 62.300 0.423 0.000 0.840 113 V CB 1.588 33.527 31.823 0.193 0.000 0.994 113 V HN 0.883 nan 8.190 nan 0.000 0.431 114 W N 6.933 128.326 121.300 0.154 0.000 2.316 114 W HA 0.617 5.277 4.660 -0.001 0.000 0.311 114 W C -1.284 175.105 176.519 -0.216 0.000 1.217 114 W CA -0.668 56.470 57.345 -0.344 0.000 1.199 114 W CB 1.099 30.406 29.460 -0.255 0.000 1.202 114 W HN 0.446 nan 8.180 nan 0.000 0.528 115 I N 9.200 129.147 120.570 -1.037 0.000 2.382 115 I HA 0.064 4.234 4.170 -0.001 0.000 0.285 115 I C -0.246 175.090 176.117 -1.303 0.000 1.007 115 I CA -1.135 59.627 61.300 -0.897 0.000 1.142 115 I CB 0.696 38.332 38.000 -0.606 0.000 1.289 115 I HN 0.299 nan 8.210 nan 0.000 0.453 116 Y N 4.703 124.518 120.300 -0.808 0.000 2.457 116 Y HA 0.640 5.190 4.550 -0.001 0.000 0.341 116 Y C 0.735 176.455 175.900 -0.300 0.000 1.240 116 Y CA -0.877 56.851 58.100 -0.620 0.000 1.437 116 Y CB -0.082 38.267 38.460 -0.184 0.000 1.328 116 Y HN 0.529 nan 8.280 nan 0.000 0.588 117 G N -0.553 108.245 108.800 -0.004 0.000 2.531 117 G HA2 0.492 4.452 3.960 -0.001 0.000 0.281 117 G HA3 0.492 4.452 3.960 -0.001 0.000 0.281 117 G C 0.267 175.122 174.900 -0.074 0.000 1.382 117 G CA -0.902 44.131 45.100 -0.112 0.000 1.045 117 G HN 1.729 nan 8.290 nan 0.000 0.533 118 G N -2.867 105.732 108.800 -0.335 0.000 2.321 118 G HA2 0.415 4.375 3.960 -0.001 0.000 0.219 118 G HA3 0.415 4.375 3.960 -0.001 0.000 0.219 118 G C 0.999 175.433 174.900 -0.778 0.000 1.057 118 G CA 0.690 45.486 45.100 -0.507 0.000 0.849 118 G HN 2.280 nan 8.290 nan 0.000 0.520 119 G N -0.414 107.921 108.800 -0.774 0.000 2.233 119 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.270 119 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.270 119 G C 0.944 175.707 174.900 -0.229 0.000 1.011 119 G CA 0.820 45.346 45.100 -0.957 0.000 0.762 119 G HN 1.734 nan 8.290 nan 0.000 0.511 120 F N -3.495 116.410 119.950 -0.074 0.000 2.825 120 F HA -0.331 4.196 4.527 -0.001 0.000 0.358 120 F C 1.502 177.440 175.800 0.230 0.000 0.639 120 F CA 2.281 60.330 58.000 0.082 0.000 1.153 120 F CB -2.019 36.879 39.000 -0.170 0.000 1.610 120 F HN 0.881 nan 8.300 nan 0.000 0.305 121 Y N -1.119 119.294 120.300 0.189 0.000 2.500 121 Y HA 0.654 5.204 4.550 -0.001 0.000 0.246 121 Y C 0.630 176.654 175.900 0.206 0.000 1.146 121 Y CA 0.274 58.506 58.100 0.220 0.000 1.230 121 Y CB -0.011 38.509 38.460 0.101 0.000 1.214 121 Y HN 0.081 nan 8.280 nan 0.000 0.526 122 S N -0.739 114.832 115.700 -0.215 0.000 2.752 122 S HA 0.899 5.368 4.470 -0.001 0.000 0.284 122 S C -0.217 174.259 174.600 -0.207 0.000 1.189 122 S CA -0.522 57.579 58.200 -0.166 0.000 0.835 122 S CB 1.474 64.512 63.200 -0.270 0.000 1.192 122 S HN 1.301 nan 8.310 nan 0.000 0.506 123 G N -0.385 108.254 108.800 -0.269 0.000 2.465 123 G HA2 0.424 4.384 3.960 -0.001 0.000 0.681 123 G HA3 0.424 4.384 3.960 -0.001 0.000 0.681 123 G C -1.027 173.256 174.900 -1.029 0.000 1.340 123 G CA -0.315 44.459 45.100 -0.544 0.000 0.884 123 G HN 1.366 nan 8.290 nan 0.000 0.650 124 S N -0.965 114.071 115.700 -1.106 0.000 2.541 124 S HA 0.687 5.157 4.470 -0.001 0.000 0.271 124 S C 0.923 175.314 174.600 -0.348 0.000 1.133 124 S CA 0.116 57.876 58.200 -0.734 0.000 0.876 124 S CB 1.792 64.800 63.200 -0.319 0.000 1.105 124 S HN 1.971 nan 8.310 nan 0.000 0.470 125 S N -0.120 115.585 115.700 0.009 0.000 2.562 125 S HA -0.044 4.426 4.470 -0.001 0.000 0.221 125 S C 1.353 176.043 174.600 0.149 0.000 0.975 125 S CA 0.859 59.272 58.200 0.355 0.000 0.918 125 S CB -0.575 62.869 63.200 0.407 0.000 0.772 125 S HN 0.843 nan 8.310 nan 0.000 0.531 126 T N -0.028 114.415 114.554 -0.185 0.000 3.086 126 T HA 0.401 4.751 4.350 -0.001 0.000 0.250 126 T C 0.502 174.959 174.700 -0.405 0.000 1.074 126 T CA -0.543 61.159 62.100 -0.663 0.000 0.988 126 T CB -0.584 67.760 68.868 -0.874 0.000 0.988 126 T HN 0.319 nan 8.240 nan 0.000 0.530 127 L N 2.202 123.264 121.223 -0.269 0.000 2.514 127 L HA 0.138 4.477 4.340 -0.001 0.000 0.280 127 L C 1.316 177.973 176.870 -0.356 0.000 1.223 127 L CA -0.469 54.133 54.840 -0.395 0.000 0.864 127 L CB 0.335 41.954 42.059 -0.734 0.000 1.118 127 L HN 0.079 nan 8.230 nan 0.000 0.494 128 D N 1.330 121.542 120.400 -0.312 0.000 2.149 128 D HA -0.139 4.500 4.640 -0.001 0.000 0.198 128 D C 1.960 178.063 176.300 -0.327 0.000 0.990 128 D CA 1.314 55.181 54.000 -0.222 0.000 0.839 128 D CB -0.025 40.658 40.800 -0.194 0.000 0.948 128 D HN 0.529 nan 8.370 nan 0.000 0.460 129 V N -1.185 118.389 119.914 -0.567 0.000 3.241 129 V HA -0.147 3.973 4.120 -0.001 0.000 0.269 129 V C 1.103 176.738 176.094 -0.764 0.000 1.151 129 V CA 0.983 62.909 62.300 -0.624 0.000 1.158 129 V CB -1.113 30.237 31.823 -0.788 0.000 0.764 129 V HN 0.070 nan 8.190 nan 0.000 0.508 130 Y N -0.096 119.753 120.300 -0.752 0.000 2.555 130 Y HA 0.433 4.982 4.550 -0.001 0.000 0.259 130 Y C 1.067 176.532 175.900 -0.724 0.000 1.179 130 Y CA -1.858 55.459 58.100 -1.306 0.000 1.230 130 Y CB -0.873 37.146 38.460 -0.735 0.000 1.146 130 Y HN 0.242 nan 8.280 nan 0.000 0.526 131 N N 1.594 120.140 118.700 -0.258 0.000 2.417 131 N HA -0.034 4.706 4.740 -0.001 0.000 0.272 131 N C 1.324 176.540 175.510 -0.490 0.000 1.304 131 N CA 0.680 53.596 53.050 -0.224 0.000 0.906 131 N CB 1.103 39.553 38.487 -0.062 0.000 1.135 131 N HN 0.497 nan 8.380 nan 0.000 0.483 132 G N 3.486 111.393 108.800 -1.487 0.000 2.848 132 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.208 132 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.208 132 G C 1.446 175.695 174.900 -1.086 0.000 1.152 132 G CA 0.368 44.757 45.100 -1.186 0.000 0.789 132 G HN 0.758 nan 8.290 nan 0.000 0.531 133 K N -0.178 119.415 120.400 -1.346 0.000 2.103 133 K HA -0.178 4.141 4.320 -0.001 0.000 0.207 133 K C 1.785 178.132 176.600 -0.421 0.000 1.048 133 K CA 1.233 57.094 56.287 -0.709 0.000 0.930 133 K CB -0.612 31.560 32.500 -0.547 0.000 0.716 133 K HN 0.395 nan 8.250 nan 0.000 0.444 134 Y N 0.973 121.184 120.300 -0.148 0.000 2.200 134 Y HA -0.163 4.387 4.550 -0.001 0.000 0.290 134 Y C 2.446 178.336 175.900 -0.017 0.000 1.137 134 Y CA 0.621 58.694 58.100 -0.045 0.000 1.163 134 Y CB -0.331 38.076 38.460 -0.089 0.000 0.988 134 Y HN 0.031 nan 8.280 nan 0.000 0.518 135 L N 0.263 121.501 121.223 0.024 0.000 2.072 135 L HA -0.041 4.299 4.340 -0.001 0.000 0.205 135 L C 2.410 179.282 176.870 0.003 0.000 1.079 135 L CA 1.791 56.603 54.840 -0.046 0.000 0.752 135 L CB -1.191 40.744 42.059 -0.207 0.000 0.906 135 L HN 0.148 nan 8.230 nan 0.000 0.436 136 A N -1.283 121.551 122.820 0.023 0.000 1.883 136 A HA -0.317 4.003 4.320 -0.001 0.000 0.217 136 A C 2.342 180.003 177.584 0.128 0.000 1.186 136 A CA 2.068 54.171 52.037 0.110 0.000 0.624 136 A CB -1.248 17.879 19.000 0.212 0.000 0.822 136 A HN 0.628 nan 8.150 nan 0.000 0.444 137 Y N 0.917 121.229 120.300 0.020 0.000 2.133 137 Y HA -0.193 4.357 4.550 -0.001 0.000 0.287 137 Y C 2.717 178.637 175.900 0.033 0.000 1.134 137 Y CA 2.500 60.619 58.100 0.032 0.000 1.133 137 Y CB -0.524 37.940 38.460 0.006 0.000 0.987 137 Y HN 0.303 nan 8.280 nan 0.000 0.502 138 T N 0.300 114.847 114.554 -0.012 0.000 2.788 138 T HA -0.127 4.222 4.350 -0.001 0.000 0.268 138 T C 1.234 175.868 174.700 -0.110 0.000 1.044 138 T CA 1.654 63.685 62.100 -0.115 0.000 1.139 138 T CB -0.111 68.775 68.868 0.030 0.000 0.867 138 T HN 0.357 nan 8.240 nan 0.000 0.454 139 E N 0.535 120.713 120.200 -0.038 0.000 2.481 139 E HA 0.111 4.461 4.350 -0.001 0.000 0.198 139 E C -0.015 176.586 176.600 0.001 0.000 1.027 139 E CA 0.021 56.425 56.400 0.007 0.000 0.900 139 E CB 0.197 29.919 29.700 0.036 0.000 0.993 139 E HN 0.591 nan 8.360 nan 0.000 0.482 140 E N 0.179 120.364 120.200 -0.024 0.000 2.271 140 E HA -0.160 4.190 4.350 -0.001 0.000 0.223 140 E C -0.143 176.483 176.600 0.042 0.000 1.223 140 E CA 0.466 56.869 56.400 0.004 0.000 0.704 140 E CB -1.958 27.735 29.700 -0.012 0.000 1.194 140 E HN 0.136 nan 8.360 nan 0.000 0.375 141 V N -3.654 116.297 119.914 0.062 0.000 2.960 141 V HA 0.676 4.796 4.120 -0.001 0.000 0.315 141 V C 0.415 176.590 176.094 0.135 0.000 1.087 141 V CA -1.091 61.255 62.300 0.077 0.000 0.982 141 V CB 2.275 34.126 31.823 0.047 0.000 1.039 141 V HN -0.025 nan 8.190 nan 0.000 0.437 142 V N 3.969 123.971 119.914 0.148 0.000 2.408 142 V HA 0.352 4.472 4.120 -0.001 0.000 0.267 142 V C 0.028 176.259 176.094 0.229 0.000 1.047 142 V CA -0.087 62.335 62.300 0.204 0.000 0.937 142 V CB 0.938 32.869 31.823 0.181 0.000 0.999 142 V HN 0.799 nan 8.190 nan 0.000 0.472 143 L N 6.850 128.267 121.223 0.324 0.000 2.282 143 L HA 0.651 4.990 4.340 -0.001 0.000 0.288 143 L C -0.713 176.463 176.870 0.511 0.000 1.033 143 L CA -0.275 54.804 54.840 0.399 0.000 0.807 143 L CB 1.569 43.856 42.059 0.381 0.000 1.209 143 L HN 0.401 nan 8.230 nan 0.000 0.423 144 V N 3.310 123.494 119.914 0.449 0.000 2.555 144 V HA 0.541 4.660 4.120 -0.001 0.000 0.302 144 V C -0.239 176.144 176.094 0.482 0.000 1.038 144 V CA -0.512 62.024 62.300 0.393 0.000 0.887 144 V CB 2.038 34.002 31.823 0.234 0.000 0.991 144 V HN 0.860 nan 8.190 nan 0.000 0.434 145 S N 4.917 120.908 115.700 0.484 0.000 2.519 145 S HA 0.826 5.296 4.470 -0.001 0.000 0.309 145 S C -0.756 174.026 174.600 0.303 0.000 1.100 145 S CA -0.788 57.703 58.200 0.484 0.000 1.059 145 S CB 1.542 65.139 63.200 0.662 0.000 1.008 145 S HN 0.640 nan 8.310 nan 0.000 0.478 146 L N 0.904 122.234 121.223 0.178 0.000 2.544 146 L HA 0.991 5.331 4.340 -0.001 0.000 0.256 146 L C 0.177 177.171 176.870 0.208 0.000 1.097 146 L CA -0.685 54.217 54.840 0.103 0.000 0.812 146 L CB 0.020 42.004 42.059 -0.125 0.000 1.440 146 L HN 0.869 nan 8.230 nan 0.000 0.496 147 S N -1.879 114.003 115.700 0.304 0.000 2.651 147 S HA 0.904 5.374 4.470 -0.001 0.000 0.279 147 S C -1.307 173.533 174.600 0.401 0.000 1.148 147 S CA -0.530 57.884 58.200 0.357 0.000 0.837 147 S CB 1.556 65.024 63.200 0.445 0.000 1.138 147 S HN 1.173 nan 8.310 nan 0.000 0.478 148 Y N -2.004 118.400 120.300 0.173 0.000 2.604 148 Y HA 0.675 5.225 4.550 -0.001 0.000 0.331 148 Y C -0.836 175.194 175.900 0.217 0.000 1.158 148 Y CA -1.401 56.798 58.100 0.164 0.000 1.056 148 Y CB 0.609 39.114 38.460 0.074 0.000 1.330 148 Y HN 0.765 nan 8.280 nan 0.000 0.457 149 R N 1.733 122.367 120.500 0.224 0.000 2.537 149 R HA 0.545 4.885 4.340 -0.001 0.000 0.280 149 R C -0.214 176.249 176.300 0.271 0.000 1.058 149 R CA -0.140 56.049 56.100 0.149 0.000 1.057 149 R CB 0.915 31.275 30.300 0.100 0.000 0.973 149 R HN 0.698 nan 8.270 nan 0.000 0.438 150 V N -0.239 119.863 119.914 0.314 0.000 3.158 150 V HA 0.894 5.013 4.120 -0.001 0.000 0.315 150 V C 0.697 177.148 176.094 0.595 0.000 1.148 150 V CA -0.142 62.484 62.300 0.543 0.000 1.042 150 V CB 1.171 33.206 31.823 0.354 0.000 1.101 150 V HN 0.975 nan 8.190 nan 0.000 0.448 151 G N 0.432 109.635 108.800 0.672 0.000 2.575 151 G HA2 0.033 3.993 3.960 -0.001 0.000 0.267 151 G HA3 0.033 3.993 3.960 -0.001 0.000 0.267 151 G C 1.014 176.137 174.900 0.372 0.000 1.264 151 G CA 1.010 46.454 45.100 0.574 0.000 0.935 151 G HN 2.227 nan 8.290 nan 0.000 0.568 152 A N -1.192 121.538 122.820 -0.149 0.000 1.917 152 A HA 0.145 4.465 4.320 -0.001 0.000 0.219 152 A C 2.253 179.682 177.584 -0.259 0.000 1.182 152 A CA 2.669 54.214 52.037 -0.820 0.000 0.633 152 A CB -0.588 17.741 19.000 -1.119 0.000 0.819 152 A HN 1.050 nan 8.150 nan 0.000 0.448 153 F N 0.008 120.015 119.950 0.094 0.000 2.250 153 F HA -0.035 4.491 4.527 -0.001 0.000 0.301 153 F C 2.425 178.237 175.800 0.020 0.000 1.077 153 F CA 1.021 59.054 58.000 0.055 0.000 1.348 153 F CB -0.567 38.413 39.000 -0.033 0.000 1.040 153 F HN 0.295 nan 8.300 nan 0.000 0.509 154 G N -2.036 106.855 108.800 0.152 0.000 2.762 154 G HA2 0.055 4.015 3.960 -0.001 0.000 0.209 154 G HA3 0.055 4.015 3.960 -0.001 0.000 0.209 154 G C 0.808 175.222 174.900 -0.810 0.000 1.134 154 G CA 0.116 45.030 45.100 -0.310 0.000 0.781 154 G HN 0.340 nan 8.290 nan 0.000 0.528 155 F N -0.387 119.661 119.950 0.163 0.000 2.838 155 F HA 0.438 4.964 4.527 -0.001 0.000 0.329 155 F C 0.341 176.198 175.800 0.095 0.000 1.116 155 F CA -1.016 57.059 58.000 0.125 0.000 1.155 155 F CB 0.403 39.501 39.000 0.164 0.000 1.106 155 F HN -0.091 nan 8.300 nan 0.000 0.538 156 L N 2.299 123.521 121.223 -0.003 0.000 2.559 156 L HA 0.439 4.779 4.340 -0.001 0.000 0.274 156 L C 0.153 176.984 176.870 -0.065 0.000 1.205 156 L CA 0.234 54.959 54.840 -0.191 0.000 0.907 156 L CB 0.273 41.913 42.059 -0.699 0.000 1.153 156 L HN 0.156 nan 8.230 nan 0.000 0.490 157 A N 6.965 129.804 122.820 0.032 0.000 2.340 157 A HA 0.622 4.942 4.320 -0.001 0.000 0.297 157 A C -0.805 176.792 177.584 0.023 0.000 1.195 157 A CA -0.496 51.565 52.037 0.039 0.000 0.769 157 A CB 0.633 19.689 19.000 0.094 0.000 1.163 157 A HN 0.716 nan 8.150 nan 0.000 0.472 158 L N 3.567 124.792 121.223 0.003 0.000 2.506 158 L HA 0.238 4.578 4.340 -0.001 0.000 0.247 158 L C 0.039 176.945 176.870 0.060 0.000 1.141 158 L CA -0.742 54.105 54.840 0.011 0.000 0.973 158 L CB 0.299 42.331 42.059 -0.044 0.000 1.319 158 L HN 0.886 nan 8.230 nan 0.000 0.455 159 H N 1.797 120.866 119.070 -0.002 0.000 3.094 159 H HA 0.237 4.792 4.556 -0.001 0.000 0.320 159 H C 1.165 176.498 175.328 0.008 0.000 1.000 159 H CA 1.585 57.639 56.048 0.010 0.000 1.413 159 H CB 0.772 30.544 29.762 0.018 0.000 1.405 159 H HN 0.696 nan 8.280 nan 0.000 0.586 160 G N 2.686 111.192 108.800 -0.489 0.000 2.284 160 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.216 160 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.216 160 G C 0.398 175.203 174.900 -0.159 0.000 1.009 160 G CA 0.204 45.104 45.100 -0.334 0.000 0.625 160 G HN 0.935 nan 8.290 nan 0.000 0.501 161 S N 0.130 115.771 115.700 -0.098 0.000 2.562 161 S HA 0.603 5.073 4.470 -0.001 0.000 0.275 161 S C 1.051 175.633 174.600 -0.031 0.000 1.281 161 S CA 0.099 58.271 58.200 -0.047 0.000 1.045 161 S CB 1.595 64.780 63.200 -0.026 0.000 0.962 161 S HN 0.169 nan 8.310 nan 0.000 0.503 162 Q N 1.717 121.510 119.800 -0.012 0.000 2.356 162 Q HA 0.182 4.522 4.340 -0.001 0.000 0.205 162 Q C 1.149 177.165 176.000 0.026 0.000 0.901 162 Q CA 0.431 56.237 55.803 0.005 0.000 0.938 162 Q CB 0.155 28.896 28.738 0.006 0.000 1.081 162 Q HN 0.721 nan 8.270 nan 0.000 0.517 163 E N 0.284 120.503 120.200 0.031 0.000 2.170 163 E HA 0.078 4.428 4.350 -0.001 0.000 0.191 163 E C 0.143 176.795 176.600 0.086 0.000 0.981 163 E CA 0.571 57.007 56.400 0.061 0.000 0.830 163 E CB 0.475 30.215 29.700 0.066 0.000 0.775 163 E HN 0.104 nan 8.360 nan 0.000 0.470 164 A N 1.779 124.624 122.820 0.041 0.000 3.266 164 A HA 0.297 4.617 4.320 -0.001 0.000 0.310 164 A C -2.092 175.493 177.584 0.002 0.000 1.066 164 A CA -0.934 51.113 52.037 0.016 0.000 0.839 164 A CB 0.698 19.608 19.000 -0.151 0.000 1.192 164 A HN -0.111 nan 8.150 nan 0.000 0.496 165 P HA 0.162 nan 4.420 nan 0.000 0.229 165 P C 0.870 178.224 177.300 0.090 0.000 1.160 165 P CA 1.660 64.797 63.100 0.061 0.000 0.777 165 P CB 0.240 31.977 31.700 0.061 0.000 0.814 166 G N 0.699 109.532 108.800 0.055 0.000 2.707 166 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.686 166 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.686 166 G C -0.108 174.810 174.900 0.030 0.000 1.315 166 G CA -0.289 44.851 45.100 0.067 0.000 0.832 166 G HN 0.104 nan 8.290 nan 0.000 0.573 167 N N -2.438 116.284 118.700 0.037 0.000 2.778 167 N HA -0.286 4.453 4.740 -0.001 0.000 0.249 167 N C 1.955 177.335 175.510 -0.216 0.000 1.069 167 N CA 2.571 55.580 53.050 -0.068 0.000 0.831 167 N CB -1.635 36.742 38.487 -0.184 0.000 1.142 167 N HN 1.935 nan 8.380 nan 0.000 0.573 168 V N -2.710 117.063 119.914 -0.236 0.000 2.594 168 V HA -0.009 4.111 4.120 -0.001 0.000 0.253 168 V C 2.294 178.265 176.094 -0.206 0.000 1.069 168 V CA 2.328 64.532 62.300 -0.160 0.000 1.082 168 V CB -0.926 30.855 31.823 -0.070 0.000 0.680 168 V HN 0.282 nan 8.190 nan 0.000 0.469 169 G N 0.390 108.862 108.800 -0.546 0.000 2.422 169 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.218 169 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.218 169 G C 1.551 176.460 174.900 0.015 0.000 1.146 169 G CA 1.130 46.064 45.100 -0.275 0.000 0.769 169 G HN 0.535 nan 8.290 nan 0.000 0.547 170 L N -0.155 121.040 121.223 -0.047 0.000 2.093 170 L HA 0.074 4.413 4.340 -0.001 0.000 0.208 170 L C 2.818 179.750 176.870 0.103 0.000 1.085 170 L CA 0.398 55.197 54.840 -0.069 0.000 0.755 170 L CB -0.267 41.439 42.059 -0.587 0.000 0.904 170 L HN 0.179 nan 8.230 nan 0.000 0.435 171 L N -0.631 120.637 121.223 0.074 0.000 2.141 171 L HA -0.197 4.143 4.340 -0.001 0.000 0.209 171 L C 2.132 179.094 176.870 0.152 0.000 1.094 171 L CA 0.786 55.730 54.840 0.174 0.000 0.763 171 L CB -0.579 41.558 42.059 0.130 0.000 0.908 171 L HN 0.276 nan 8.230 nan 0.000 0.437 172 D N -0.005 120.482 120.400 0.145 0.000 2.097 172 D HA -0.198 4.442 4.640 -0.001 0.000 0.195 172 D C 2.282 178.654 176.300 0.120 0.000 0.989 172 D CA 1.181 55.327 54.000 0.244 0.000 0.827 172 D CB -0.183 40.804 40.800 0.311 0.000 0.966 172 D HN 0.393 nan 8.370 nan 0.000 0.456 173 Q N 0.138 119.972 119.800 0.056 0.000 2.096 173 Q HA -0.139 4.201 4.340 -0.001 0.000 0.204 173 Q C 2.282 178.179 176.000 -0.172 0.000 0.982 173 Q CA 1.028 56.769 55.803 -0.103 0.000 0.850 173 Q CB -0.076 28.614 28.738 -0.080 0.000 0.901 173 Q HN 0.208 nan 8.270 nan 0.000 0.422 174 R N 0.649 121.144 120.500 -0.008 0.000 2.081 174 R HA -0.137 4.203 4.340 -0.001 0.000 0.235 174 R C 2.202 178.475 176.300 -0.044 0.000 1.131 174 R CA 1.412 57.489 56.100 -0.038 0.000 0.960 174 R CB -0.157 30.234 30.300 0.151 0.000 0.856 174 R HN 0.261 nan 8.270 nan 0.000 0.436 175 M N 0.192 119.794 119.600 0.004 0.000 2.159 175 M HA -0.114 4.365 4.480 -0.001 0.000 0.263 175 M C 2.081 178.327 176.300 -0.091 0.000 1.063 175 M CA 2.060 57.391 55.300 0.052 0.000 1.110 175 M CB -0.033 32.697 32.600 0.216 0.000 1.374 175 M HN 0.296 nan 8.290 nan 0.000 0.411 176 A N 0.052 122.554 122.820 -0.530 0.000 1.930 176 A HA -0.084 4.236 4.320 -0.001 0.000 0.217 176 A C 2.009 179.472 177.584 -0.201 0.000 1.175 176 A CA 1.314 52.883 52.037 -0.779 0.000 0.627 176 A CB -0.942 17.302 19.000 -1.259 0.000 0.815 176 A HN 0.578 nan 8.150 nan 0.000 0.443 177 L N -1.092 120.031 121.223 -0.167 0.000 2.141 177 L HA -0.191 4.149 4.340 -0.001 0.000 0.209 177 L C 2.792 179.700 176.870 0.063 0.000 1.094 177 L CA 1.526 56.334 54.840 -0.052 0.000 0.763 177 L CB -0.384 41.598 42.059 -0.128 0.000 0.908 177 L HN 0.463 nan 8.230 nan 0.000 0.437 178 Q N -0.377 119.459 119.800 0.061 0.000 2.079 178 Q HA -0.241 4.099 4.340 -0.001 0.000 0.200 178 Q C 1.992 178.101 176.000 0.180 0.000 0.974 178 Q CA 1.771 57.637 55.803 0.104 0.000 0.840 178 Q CB -0.404 28.385 28.738 0.086 0.000 0.898 178 Q HN 0.469 nan 8.270 nan 0.000 0.430 179 W N -0.772 120.545 121.300 0.029 0.000 2.358 179 W HA -0.138 4.522 4.660 -0.001 0.000 0.303 179 W C 1.816 178.378 176.519 0.073 0.000 1.208 179 W CA 1.576 58.962 57.345 0.067 0.000 1.274 179 W CB -0.111 29.391 29.460 0.069 0.000 1.138 179 W HN -0.002 nan 8.180 nan 0.000 0.515 180 V N -0.210 119.920 119.914 0.359 0.000 2.295 180 V HA -0.356 3.764 4.120 -0.001 0.000 0.246 180 V C 2.154 178.293 176.094 0.075 0.000 1.049 180 V CA 2.440 64.878 62.300 0.231 0.000 1.024 180 V CB -1.298 30.642 31.823 0.195 0.000 0.648 180 V HN 0.284 nan 8.190 nan 0.000 0.447 181 H N 0.647 119.723 119.070 0.010 0.000 2.319 181 H HA -0.181 4.375 4.556 -0.001 0.000 0.299 181 H C 1.976 177.245 175.328 -0.098 0.000 1.092 181 H CA 2.235 58.265 56.048 -0.030 0.000 1.302 181 H CB -0.074 29.681 29.762 -0.011 0.000 1.373 181 H HN 0.417 nan 8.280 nan 0.000 0.497 182 D N -0.843 119.517 120.400 -0.065 0.000 2.234 182 D HA -0.060 4.580 4.640 -0.001 0.000 0.205 182 D C 1.034 177.165 176.300 -0.282 0.000 0.962 182 D CA 0.805 54.703 54.000 -0.170 0.000 0.855 182 D CB 0.074 40.791 40.800 -0.138 0.000 0.951 182 D HN 0.519 nan 8.370 nan 0.000 0.500 183 N N -0.338 118.132 118.700 -0.385 0.000 2.168 183 N HA 0.038 4.778 4.740 -0.001 0.000 0.216 183 N C 1.472 176.913 175.510 -0.114 0.000 1.259 183 N CA -0.161 52.700 53.050 -0.314 0.000 0.902 183 N CB 1.039 39.014 38.487 -0.853 0.000 1.079 183 N HN 0.016 nan 8.380 nan 0.000 0.507 184 I N 3.174 123.690 120.570 -0.089 0.000 2.530 184 I HA -0.263 3.907 4.170 -0.001 0.000 0.257 184 I C 2.575 178.702 176.117 0.016 0.000 1.179 184 I CA 1.334 62.691 61.300 0.096 0.000 1.440 184 I CB -0.131 37.900 38.000 0.052 0.000 1.087 184 I HN 0.192 nan 8.210 nan 0.000 0.440 185 Q N -0.685 118.931 119.800 -0.306 0.000 2.181 185 Q HA -0.250 4.090 4.340 -0.001 0.000 0.205 185 Q C 1.908 177.670 176.000 -0.397 0.000 0.980 185 Q CA 1.743 57.301 55.803 -0.409 0.000 0.862 185 Q CB -0.897 27.461 28.738 -0.634 0.000 0.905 185 Q HN 0.416 nan 8.270 nan 0.000 0.429 186 F N -0.019 119.890 119.950 -0.069 0.000 2.502 186 F HA 0.059 4.586 4.527 -0.001 0.000 0.298 186 F C 1.064 176.646 175.800 -0.364 0.000 1.111 186 F CA 0.351 58.203 58.000 -0.247 0.000 1.445 186 F CB -0.193 38.572 39.000 -0.393 0.000 1.081 186 F HN 0.004 nan 8.300 nan 0.000 0.558 187 F N -0.627 119.336 119.950 0.022 0.000 2.693 187 F HA 0.415 4.942 4.527 -0.001 0.000 0.303 187 F C 1.802 177.624 175.800 0.036 0.000 1.097 187 F CA 0.369 58.369 58.000 0.000 0.000 1.330 187 F CB -0.072 38.911 39.000 -0.028 0.000 1.067 187 F HN 0.048 nan 8.300 nan 0.000 0.565 188 G N 0.068 108.948 108.800 0.133 0.000 2.175 188 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.244 188 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.244 188 G C 0.611 175.556 174.900 0.076 0.000 0.982 188 G CA -0.283 44.873 45.100 0.093 0.000 0.641 188 G HN 0.716 nan 8.290 nan 0.000 0.527 189 G N -0.293 108.558 108.800 0.084 0.000 2.400 189 G HA2 0.483 4.443 3.960 -0.001 0.000 0.301 189 G HA3 0.483 4.443 3.960 -0.001 0.000 0.301 189 G C -0.674 174.216 174.900 -0.016 0.000 1.154 189 G CA 0.276 45.407 45.100 0.052 0.000 0.852 189 G HN 0.222 nan 8.290 nan 0.000 0.511 190 D N 2.255 122.645 120.400 -0.016 0.000 2.393 190 D HA 0.193 4.833 4.640 -0.001 0.000 0.232 190 D C -0.980 175.288 176.300 -0.053 0.000 1.192 190 D CA -2.329 51.643 54.000 -0.047 0.000 0.882 190 D CB 1.672 42.453 40.800 -0.032 0.000 1.038 190 D HN 0.095 nan 8.370 nan 0.000 0.499 191 P HA -0.106 nan 4.420 nan 0.000 0.231 191 P C 0.624 177.892 177.300 -0.054 0.000 1.158 191 P CA 0.465 63.496 63.100 -0.115 0.000 0.763 191 P CB 0.423 31.942 31.700 -0.302 0.000 0.805 192 K N -0.590 119.780 120.400 -0.049 0.000 2.404 192 K HA 0.150 4.469 4.320 -0.001 0.000 0.194 192 K C 0.470 177.067 176.600 -0.006 0.000 1.023 192 K CA 0.469 56.746 56.287 -0.016 0.000 1.094 192 K CB -0.102 32.378 32.500 -0.033 0.000 0.841 192 K HN 0.077 nan 8.250 nan 0.000 0.523 193 T N 0.810 115.363 114.554 -0.002 0.000 3.624 193 T HA 0.234 4.583 4.350 -0.001 0.000 0.244 193 T C -0.406 174.310 174.700 0.027 0.000 1.063 193 T CA -0.319 61.778 62.100 -0.006 0.000 1.252 193 T CB 0.670 69.522 68.868 -0.026 0.000 1.021 193 T HN -0.318 nan 8.240 nan 0.000 0.590 194 V N 2.343 122.303 119.914 0.076 0.000 2.383 194 V HA 0.394 4.514 4.120 -0.001 0.000 0.275 194 V C 0.418 176.615 176.094 0.171 0.000 1.036 194 V CA -0.289 62.087 62.300 0.127 0.000 0.889 194 V CB 1.290 33.218 31.823 0.175 0.000 0.985 194 V HN 0.494 nan 8.190 nan 0.000 0.459 195 T N 6.791 121.429 114.554 0.140 0.000 2.758 195 T HA 0.554 4.903 4.350 -0.001 0.000 0.285 195 T C -0.053 174.766 174.700 0.198 0.000 0.981 195 T CA -0.171 62.026 62.100 0.162 0.000 0.965 195 T CB 0.676 69.594 68.868 0.084 0.000 0.927 195 T HN 0.600 nan 8.240 nan 0.000 0.448 196 I N 1.828 122.484 120.570 0.145 0.000 2.396 196 I HA 0.831 5.001 4.170 -0.001 0.000 0.292 196 I C -0.704 175.566 176.117 0.256 0.000 0.999 196 I CA -0.898 60.461 61.300 0.098 0.000 1.310 196 I CB 0.676 38.504 38.000 -0.286 0.000 1.404 196 I HN 0.488 nan 8.210 nan 0.000 0.496 197 F N 3.213 123.188 119.950 0.042 0.000 2.601 197 F HA 1.004 5.531 4.527 -0.001 0.000 0.309 197 F C -0.443 175.345 175.800 -0.019 0.000 1.089 197 F CA -1.148 56.919 58.000 0.112 0.000 0.940 197 F CB 1.438 40.621 39.000 0.304 0.000 1.273 197 F HN 0.842 nan 8.300 nan 0.000 0.450 198 G N 1.245 109.940 108.800 -0.176 0.000 2.601 198 G HA2 0.472 4.432 3.960 -0.001 0.000 0.291 198 G HA3 0.472 4.432 3.960 -0.001 0.000 0.291 198 G C -2.579 172.103 174.900 -0.364 0.000 1.456 198 G CA -0.814 43.784 45.100 -0.837 0.000 0.804 198 G HN 0.869 nan 8.290 nan 0.000 0.499 199 E N 0.467 120.397 120.200 -0.449 0.000 2.212 199 E HA 0.629 4.978 4.350 -0.001 0.000 0.268 199 E C 0.754 177.277 176.600 -0.128 0.000 0.902 199 E CA 0.372 56.733 56.400 -0.064 0.000 0.779 199 E CB 2.057 31.883 29.700 0.209 0.000 1.172 199 E HN 0.950 nan 8.360 nan 0.000 0.409 200 S N 3.139 118.826 115.700 -0.022 0.000 4.139 200 S HA -0.400 4.070 4.470 -0.001 0.000 0.603 200 S C 1.477 176.158 174.600 0.136 0.000 1.897 200 S CA 2.239 60.508 58.200 0.116 0.000 4.241 200 S CB -1.619 61.554 63.200 -0.045 0.000 0.221 200 S HN 0.978 nan 8.310 nan 0.000 0.488 201 A N 1.065 123.874 122.820 -0.018 0.000 2.076 201 A HA 0.185 4.505 4.320 -0.001 0.000 0.220 201 A C 2.420 179.727 177.584 -0.462 0.000 1.160 201 A CA 2.297 54.119 52.037 -0.358 0.000 0.653 201 A CB -1.477 16.909 19.000 -1.024 0.000 0.801 201 A HN 1.574 nan 8.150 nan 0.000 0.455 202 G N -0.841 107.746 108.800 -0.355 0.000 2.430 202 G HA2 0.138 4.098 3.960 -0.001 0.000 0.216 202 G HA3 0.138 4.098 3.960 -0.001 0.000 0.216 202 G C 1.398 176.095 174.900 -0.338 0.000 1.146 202 G CA 1.064 45.905 45.100 -0.431 0.000 0.793 202 G HN 0.630 nan 8.290 nan 0.000 0.537 203 G N 0.959 109.627 108.800 -0.219 0.000 2.408 203 G HA2 0.156 4.115 3.960 -0.001 0.000 0.215 203 G HA3 0.156 4.115 3.960 -0.001 0.000 0.215 203 G C 2.001 176.791 174.900 -0.184 0.000 1.156 203 G CA 1.318 46.324 45.100 -0.156 0.000 0.793 203 G HN 0.537 nan 8.290 nan 0.000 0.535 204 A N 1.068 123.798 122.820 -0.150 0.000 1.877 204 A HA -0.013 4.307 4.320 -0.001 0.000 0.216 204 A C 2.692 180.199 177.584 -0.127 0.000 1.186 204 A CA 2.291 54.221 52.037 -0.180 0.000 0.620 204 A CB -0.730 18.189 19.000 -0.135 0.000 0.822 204 A HN 0.293 nan 8.150 nan 0.000 0.443 205 S N -0.434 115.211 115.700 -0.091 0.000 2.359 205 S HA -0.162 4.308 4.470 -0.001 0.000 0.224 205 S C 1.912 176.432 174.600 -0.133 0.000 1.035 205 S CA 1.490 59.623 58.200 -0.111 0.000 1.018 205 S CB -0.596 62.483 63.200 -0.201 0.000 0.876 205 S HN 0.346 nan 8.310 nan 0.000 0.448 206 V N 1.599 121.429 119.914 -0.140 0.000 2.282 206 V HA -0.208 3.912 4.120 -0.001 0.000 0.249 206 V C 2.604 178.631 176.094 -0.112 0.000 1.057 206 V CA 2.074 64.299 62.300 -0.125 0.000 1.032 206 V CB -1.463 30.265 31.823 -0.157 0.000 0.645 206 V HN 0.614 nan 8.190 nan 0.000 0.447 207 G N -1.209 107.471 108.800 -0.200 0.000 2.432 207 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.219 207 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.219 207 G C 1.588 176.461 174.900 -0.045 0.000 1.135 207 G CA 0.892 45.843 45.100 -0.249 0.000 0.767 207 G HN 0.457 nan 8.290 nan 0.000 0.550 208 M N -0.166 119.422 119.600 -0.020 0.000 2.229 208 M HA 0.015 4.495 4.480 -0.001 0.000 0.264 208 M C 2.204 178.594 176.300 0.149 0.000 1.063 208 M CA 0.859 56.279 55.300 0.199 0.000 1.114 208 M CB -0.209 32.530 32.600 0.232 0.000 1.387 208 M HN 0.189 nan 8.290 nan 0.000 0.420 209 H N -0.348 118.838 119.070 0.192 0.000 2.502 209 H HA 0.078 4.633 4.556 -0.001 0.000 0.283 209 H C 2.078 177.622 175.328 0.359 0.000 1.015 209 H CA 1.127 57.288 56.048 0.188 0.000 1.298 209 H CB -0.086 29.666 29.762 -0.018 0.000 1.411 209 H HN 0.412 nan 8.280 nan 0.000 0.556 210 I N 0.401 121.241 120.570 0.449 0.000 2.315 210 I HA -0.226 3.944 4.170 -0.001 0.000 0.248 210 I C 2.108 178.470 176.117 0.408 0.000 1.117 210 I CA 0.826 62.450 61.300 0.539 0.000 1.404 210 I CB 0.005 38.266 38.000 0.434 0.000 1.071 210 I HN 0.112 nan 8.210 nan 0.000 0.419 211 L N -0.700 120.725 121.223 0.336 0.000 2.127 211 L HA -0.028 4.312 4.340 -0.001 0.000 0.203 211 L C 1.518 178.497 176.870 0.181 0.000 1.080 211 L CA 0.307 55.341 54.840 0.323 0.000 0.768 211 L CB -0.280 41.998 42.059 0.366 0.000 0.924 211 L HN 0.033 nan 8.230 nan 0.000 0.444 212 S N 0.220 115.939 115.700 0.033 0.000 2.481 212 S HA 0.072 4.541 4.470 -0.001 0.000 0.282 212 S C -1.473 173.005 174.600 -0.204 0.000 1.243 212 S CA -1.290 56.726 58.200 -0.307 0.000 1.078 212 S CB 0.773 63.334 63.200 -1.064 0.000 0.916 212 S HN -0.067 nan 8.310 nan 0.000 0.495 213 P HA -0.084 nan 4.420 nan 0.000 0.216 213 P C 1.353 178.567 177.300 -0.143 0.000 1.154 213 P CA 1.172 64.203 63.100 -0.115 0.000 0.865 213 P CB -0.073 31.567 31.700 -0.101 0.000 0.789 214 G N -1.768 106.897 108.800 -0.225 0.000 2.776 214 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.209 214 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.209 214 G C 1.247 176.068 174.900 -0.132 0.000 1.145 214 G CA 0.461 45.449 45.100 -0.186 0.000 0.791 214 G HN 0.232 nan 8.290 nan 0.000 0.530 215 S N -0.640 115.008 115.700 -0.086 0.000 2.575 215 S HA 0.115 4.585 4.470 -0.001 0.000 0.230 215 S C 2.152 176.846 174.600 0.157 0.000 1.062 215 S CA -0.475 57.779 58.200 0.091 0.000 0.913 215 S CB 0.265 63.665 63.200 0.334 0.000 0.837 215 S HN 0.347 nan 8.310 nan 0.000 0.487 216 R N 2.000 122.531 120.500 0.052 0.000 2.133 216 R HA -0.134 4.205 4.340 -0.001 0.000 0.247 216 R C 0.868 176.960 176.300 -0.347 0.000 1.151 216 R CA 1.757 57.774 56.100 -0.137 0.000 0.971 216 R CB -0.479 29.758 30.300 -0.105 0.000 0.866 216 R HN 0.295 nan 8.270 nan 0.000 0.447 217 D N 0.439 120.715 120.400 -0.208 0.000 2.348 217 D HA -0.042 4.597 4.640 -0.001 0.000 0.216 217 D C 1.528 177.674 176.300 -0.256 0.000 0.970 217 D CA 0.743 54.605 54.000 -0.231 0.000 0.889 217 D CB 0.032 40.720 40.800 -0.186 0.000 0.912 217 D HN 0.254 nan 8.370 nan 0.000 0.524 218 L N -0.261 120.862 121.223 -0.166 0.000 2.599 218 L HA 0.122 4.461 4.340 -0.001 0.000 0.230 218 L C 0.134 177.112 176.870 0.181 0.000 1.141 218 L CA 0.068 54.870 54.840 -0.063 0.000 0.877 218 L CB -0.380 41.699 42.059 0.033 0.000 1.009 218 L HN -0.031 nan 8.230 nan 0.000 0.447 219 F N -4.143 115.808 119.950 0.002 0.000 2.711 219 F HA 0.595 5.122 4.527 -0.001 0.000 0.313 219 F C 0.484 176.310 175.800 0.043 0.000 1.141 219 F CA -1.334 56.690 58.000 0.039 0.000 0.941 219 F CB 1.121 40.140 39.000 0.031 0.000 1.349 219 F HN -0.425 nan 8.300 nan 0.000 0.464 220 R N 0.702 121.290 120.500 0.147 0.000 2.103 220 R HA 0.437 4.776 4.340 -0.001 0.000 0.212 220 R C -0.064 176.287 176.300 0.085 0.000 1.107 220 R CA 1.237 57.349 56.100 0.020 0.000 1.025 220 R CB 0.195 30.509 30.300 0.023 0.000 0.929 220 R HN 0.857 nan 8.270 nan 0.000 0.456 221 R N -1.521 119.133 120.500 0.256 0.000 2.810 221 R HA 0.810 5.150 4.340 -0.001 0.000 0.266 221 R C -1.576 174.973 176.300 0.415 0.000 1.061 221 R CA -0.782 55.483 56.100 0.276 0.000 0.943 221 R CB 1.223 31.523 30.300 -0.001 0.000 1.237 221 R HN 0.050 nan 8.270 nan 0.000 0.459 222 A N 0.834 123.899 122.820 0.407 0.000 2.515 222 A HA 0.730 5.050 4.320 -0.001 0.000 0.298 222 A C -1.199 176.495 177.584 0.182 0.000 1.059 222 A CA -0.903 51.295 52.037 0.268 0.000 0.698 222 A CB 1.595 20.710 19.000 0.191 0.000 1.289 222 A HN 0.609 nan 8.150 nan 0.000 0.404 223 I N 1.506 122.134 120.570 0.096 0.000 2.466 223 I HA 0.407 4.576 4.170 -0.001 0.000 0.289 223 I C -1.526 174.615 176.117 0.040 0.000 1.026 223 I CA -0.610 60.668 61.300 -0.037 0.000 1.078 223 I CB 1.951 39.911 38.000 -0.067 0.000 1.249 223 I HN 0.435 nan 8.210 nan 0.000 0.429 224 L N 6.543 127.758 121.223 -0.013 0.000 2.349 224 L HA 0.449 4.789 4.340 -0.001 0.000 0.278 224 L C -0.545 176.383 176.870 0.096 0.000 0.996 224 L CA -0.284 54.554 54.840 -0.003 0.000 0.825 224 L CB 1.631 43.620 42.059 -0.117 0.000 1.243 224 L HN 0.483 nan 8.230 nan 0.000 0.412 225 Q N 1.842 121.755 119.800 0.188 0.000 2.368 225 Q HA 0.476 4.816 4.340 -0.001 0.000 0.263 225 Q C 0.028 176.144 176.000 0.194 0.000 1.009 225 Q CA -0.503 55.492 55.803 0.318 0.000 0.818 225 Q CB 1.440 30.469 28.738 0.486 0.000 1.239 225 Q HN 0.662 nan 8.270 nan 0.000 0.464 226 S N 0.994 116.801 115.700 0.179 0.000 3.614 226 S HA -0.176 4.294 4.470 -0.001 0.000 0.360 226 S C 0.038 174.785 174.600 0.244 0.000 1.023 226 S CA 0.600 58.928 58.200 0.213 0.000 1.114 226 S CB -1.119 62.234 63.200 0.255 0.000 0.907 226 S HN 0.947 nan 8.310 nan 0.000 0.470 227 G N -0.343 108.530 108.800 0.121 0.000 2.667 227 G HA2 0.675 4.635 3.960 -0.001 0.000 0.294 227 G HA3 0.675 4.635 3.960 -0.001 0.000 0.294 227 G C -0.993 173.838 174.900 -0.116 0.000 1.467 227 G CA 0.149 45.310 45.100 0.102 0.000 0.852 227 G HN 1.135 nan 8.290 nan 0.000 0.521 228 S N 0.584 116.140 115.700 -0.239 0.000 2.570 228 S HA 0.755 5.224 4.470 -0.001 0.000 0.270 228 S C -2.210 172.099 174.600 -0.484 0.000 1.149 228 S CA -0.988 56.931 58.200 -0.468 0.000 0.837 228 S CB 2.877 65.808 63.200 -0.449 0.000 1.124 228 S HN 0.427 nan 8.310 nan 0.000 0.465 229 P HA -0.133 nan 4.420 nan 0.000 0.218 229 P C 0.638 177.698 177.300 -0.399 0.000 1.148 229 P CA 1.398 64.253 63.100 -0.408 0.000 0.822 229 P CB -0.326 31.186 31.700 -0.313 0.000 0.784 230 N N -0.810 117.691 118.700 -0.331 0.000 2.383 230 N HA -0.021 4.719 4.740 -0.001 0.000 0.192 230 N C 0.063 175.353 175.510 -0.368 0.000 1.141 230 N CA -0.172 52.717 53.050 -0.270 0.000 0.851 230 N CB -1.389 37.056 38.487 -0.070 0.000 0.976 230 N HN 0.038 nan 8.380 nan 0.000 0.465 231 C N 2.966 121.939 119.300 -0.545 0.000 2.634 231 C HA 0.060 4.520 4.460 -0.001 0.000 0.417 231 C C -0.113 174.432 174.990 -0.742 0.000 1.334 231 C CA -0.892 57.684 59.018 -0.737 0.000 1.829 231 C CB 0.974 27.959 27.740 -1.258 0.000 2.665 231 C HN 0.368 nan 8.230 nan 0.000 0.614 232 P HA -0.119 nan 4.420 nan 0.000 0.221 232 P C 1.172 178.297 177.300 -0.293 0.000 1.145 232 P CA 1.857 64.710 63.100 -0.411 0.000 0.795 232 P CB -0.085 31.363 31.700 -0.421 0.000 0.775 233 W N -1.299 119.885 121.300 -0.193 0.000 3.211 233 W HA 0.555 5.215 4.660 -0.000 0.000 0.292 233 W C 1.173 177.733 176.519 0.068 0.000 1.268 233 W CA 0.346 57.660 57.345 -0.051 0.000 1.702 233 W CB -1.126 28.388 29.460 0.091 0.000 1.092 233 W HN -0.112 nan 8.180 nan 0.000 0.643 234 A N 1.386 123.864 122.820 -0.571 0.000 2.208 234 A HA 0.201 4.520 4.320 -0.001 0.000 0.209 234 A C 0.969 178.291 177.584 -0.436 0.000 1.161 234 A CA 1.087 52.841 52.037 -0.470 0.000 0.782 234 A CB -0.545 17.960 19.000 -0.826 0.000 0.816 234 A HN 0.226 nan 8.150 nan 0.000 0.477 235 S N -1.849 113.635 115.700 -0.361 0.000 2.587 235 S HA 0.635 5.105 4.470 -0.001 0.000 0.269 235 S C -0.830 173.626 174.600 -0.241 0.000 1.154 235 S CA -0.086 57.902 58.200 -0.352 0.000 0.824 235 S CB 1.246 64.176 63.200 -0.450 0.000 1.118 235 S HN 1.322 nan 8.310 nan 0.000 0.462 236 V N -0.995 118.801 119.914 -0.197 0.000 3.160 236 V HA 0.941 5.061 4.120 -0.001 0.000 0.310 236 V C 0.199 176.217 176.094 -0.126 0.000 1.181 236 V CA -0.468 61.746 62.300 -0.144 0.000 1.047 236 V CB 1.112 32.866 31.823 -0.114 0.000 1.068 236 V HN 1.529 nan 8.190 nan 0.000 0.441 237 S N 0.592 116.230 115.700 -0.104 0.000 2.608 237 S HA 0.336 4.806 4.470 -0.001 0.000 0.261 237 S C 1.301 175.850 174.600 -0.084 0.000 1.314 237 S CA 0.030 58.174 58.200 -0.094 0.000 0.992 237 S CB 1.234 64.390 63.200 -0.074 0.000 0.935 237 S HN 2.115 nan 8.310 nan 0.000 0.564 238 V N -1.342 118.509 119.914 -0.104 0.000 2.515 238 V HA 0.028 4.148 4.120 -0.001 0.000 0.250 238 V C 2.507 178.579 176.094 -0.036 0.000 1.058 238 V CA 1.571 63.813 62.300 -0.096 0.000 1.064 238 V CB -1.998 29.685 31.823 -0.234 0.000 0.675 238 V HN 0.995 nan 8.190 nan 0.000 0.461 239 A N 0.718 123.515 122.820 -0.038 0.000 1.898 239 A HA -0.191 4.129 4.320 -0.001 0.000 0.216 239 A C 2.217 179.781 177.584 -0.032 0.000 1.181 239 A CA 1.987 54.011 52.037 -0.021 0.000 0.620 239 A CB -0.637 18.351 19.000 -0.021 0.000 0.819 239 A HN 0.629 nan 8.150 nan 0.000 0.442 240 E N 0.150 120.320 120.200 -0.049 0.000 2.072 240 E HA -0.023 4.326 4.350 -0.001 0.000 0.191 240 E C 1.978 178.540 176.600 -0.063 0.000 0.985 240 E CA 1.546 57.906 56.400 -0.068 0.000 0.801 240 E CB -0.865 28.785 29.700 -0.082 0.000 0.750 240 E HN 0.376 nan 8.360 nan 0.000 0.452 241 G N 0.800 109.574 108.800 -0.042 0.000 2.440 241 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.218 241 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.218 241 G C 1.762 176.673 174.900 0.018 0.000 1.154 241 G CA 0.960 46.057 45.100 -0.004 0.000 0.767 241 G HN 0.345 nan 8.290 nan 0.000 0.552 242 R N 0.256 120.762 120.500 0.010 0.000 2.073 242 R HA -0.012 4.328 4.340 -0.001 0.000 0.234 242 R C 2.564 178.862 176.300 -0.002 0.000 1.134 242 R CA 1.411 57.518 56.100 0.012 0.000 0.952 242 R CB -0.405 29.906 30.300 0.019 0.000 0.850 242 R HN 0.284 nan 8.270 nan 0.000 0.433 243 R N 0.591 121.079 120.500 -0.020 0.000 2.105 243 R HA -0.147 4.193 4.340 -0.001 0.000 0.239 243 R C 2.114 178.392 176.300 -0.038 0.000 1.135 243 R CA 1.872 57.951 56.100 -0.035 0.000 0.967 243 R CB -0.104 30.161 30.300 -0.057 0.000 0.861 243 R HN 0.318 nan 8.270 nan 0.000 0.442 244 R N -0.472 120.001 120.500 -0.045 0.000 2.115 244 R HA -0.003 4.336 4.340 -0.001 0.000 0.226 244 R C 2.294 178.648 176.300 0.090 0.000 1.100 244 R CA 1.042 57.111 56.100 -0.052 0.000 0.980 244 R CB -0.181 29.998 30.300 -0.202 0.000 0.875 244 R HN 0.220 nan 8.270 nan 0.000 0.445 245 A N 0.778 123.665 122.820 0.113 0.000 1.898 245 A HA -0.083 4.236 4.320 -0.001 0.000 0.216 245 A C 2.313 179.904 177.584 0.012 0.000 1.181 245 A CA 1.139 53.224 52.037 0.079 0.000 0.620 245 A CB -0.437 18.548 19.000 -0.024 0.000 0.819 245 A HN 0.089 nan 8.150 nan 0.000 0.442 246 V N 0.073 119.988 119.914 0.001 0.000 2.343 246 V HA -0.224 3.896 4.120 -0.001 0.000 0.247 246 V C 2.580 178.676 176.094 0.004 0.000 1.051 246 V CA 2.371 64.667 62.300 -0.006 0.000 1.036 246 V CB -0.676 31.142 31.823 -0.009 0.000 0.654 246 V HN 0.687 nan 8.190 nan 0.000 0.451 247 E N 0.163 120.367 120.200 0.006 0.000 2.150 247 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 247 E C 1.891 178.511 176.600 0.033 0.000 0.985 247 E CA 1.045 57.449 56.400 0.007 0.000 0.814 247 E CB -0.344 29.345 29.700 -0.017 0.000 0.752 247 E HN 0.452 nan 8.360 nan 0.000 0.466 248 L N -0.299 120.964 121.223 0.067 0.000 1.994 248 L HA 0.028 4.368 4.340 -0.001 0.000 0.208 248 L C 2.213 179.104 176.870 0.036 0.000 1.071 248 L CA 2.346 57.238 54.840 0.087 0.000 0.745 248 L CB -1.067 41.072 42.059 0.133 0.000 0.892 248 L HN 0.243 nan 8.230 nan 0.000 0.431 249 G N -0.985 107.821 108.800 0.010 0.000 2.440 249 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.218 249 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.218 249 G C 1.803 176.714 174.900 0.019 0.000 1.154 249 G CA 0.864 45.968 45.100 0.006 0.000 0.767 249 G HN 0.408 nan 8.290 nan 0.000 0.552 250 R N 0.347 120.858 120.500 0.018 0.000 2.127 250 R HA -0.034 4.305 4.340 -0.001 0.000 0.238 250 R C 2.156 178.472 176.300 0.027 0.000 1.134 250 R CA 1.290 57.401 56.100 0.019 0.000 0.975 250 R CB -0.260 30.048 30.300 0.013 0.000 0.865 250 R HN 0.322 nan 8.270 nan 0.000 0.447 251 N N 0.057 118.778 118.700 0.034 0.000 2.457 251 N HA -0.068 4.671 4.740 -0.001 0.000 0.180 251 N C 0.782 176.320 175.510 0.046 0.000 1.050 251 N CA 0.750 53.826 53.050 0.044 0.000 0.906 251 N CB 0.270 38.791 38.487 0.057 0.000 0.968 251 N HN 0.273 nan 8.380 nan 0.000 0.445 252 L N 0.709 121.957 121.223 0.042 0.000 2.910 252 L HA 0.214 4.553 4.340 -0.001 0.000 0.252 252 L C -0.301 176.593 176.870 0.040 0.000 1.195 252 L CA -0.138 54.729 54.840 0.044 0.000 1.003 252 L CB -0.014 42.072 42.059 0.045 0.000 1.328 252 L HN 0.002 nan 8.230 nan 0.000 0.540 253 N N -0.472 118.249 118.700 0.035 0.000 2.738 253 N HA -0.175 4.565 4.740 -0.001 0.000 0.249 253 N C -0.201 175.329 175.510 0.033 0.000 1.047 253 N CA 0.502 53.571 53.050 0.032 0.000 0.707 253 N CB -1.881 36.625 38.487 0.032 0.000 0.937 253 N HN 0.279 nan 8.380 nan 0.000 0.545 254 c N 0.922 119.541 118.600 0.032 0.000 2.459 254 c HA 0.252 4.821 4.570 -0.001 0.000 0.374 254 c C 1.371 175.479 174.090 0.029 0.000 1.241 254 c CA -0.938 55.412 56.329 0.036 0.000 2.352 254 c CB 1.012 43.541 42.510 0.032 0.000 2.490 254 c HN 0.400 nan 8.230 nan 0.000 0.583 255 N N 1.810 120.530 118.700 0.034 0.000 2.452 255 N HA 0.109 4.848 4.740 -0.001 0.000 0.266 255 N C 0.032 175.553 175.510 0.019 0.000 1.209 255 N CA 0.256 53.320 53.050 0.024 0.000 0.929 255 N CB 0.443 38.943 38.487 0.023 0.000 1.063 255 N HN 0.619 nan 8.380 nan 0.000 0.472 256 L N 2.330 123.560 121.223 0.012 0.000 2.818 256 L HA 0.137 4.476 4.340 -0.001 0.000 0.243 256 L C 2.139 179.012 176.870 0.004 0.000 1.185 256 L CA -0.006 54.838 54.840 0.007 0.000 0.988 256 L CB -0.913 41.148 42.059 0.005 0.000 1.292 256 L HN 0.605 nan 8.230 nan 0.000 0.519 257 N N 0.771 119.473 118.700 0.004 0.000 2.289 257 N HA -0.089 4.650 4.740 -0.001 0.000 0.184 257 N C 0.942 176.452 175.510 0.001 0.000 1.016 257 N CA 1.298 54.349 53.050 0.002 0.000 0.872 257 N CB 0.077 38.564 38.487 0.000 0.000 0.973 257 N HN 0.514 nan 8.380 nan 0.000 0.433 258 S N -2.911 112.790 115.700 0.002 0.000 2.596 258 S HA 0.435 4.905 4.470 -0.001 0.000 0.270 258 S C -0.601 173.999 174.600 0.001 0.000 1.155 258 S CA -0.298 57.902 58.200 0.001 0.000 0.827 258 S CB 1.266 64.467 63.200 0.000 0.000 1.130 258 S HN 0.026 nan 8.310 nan 0.000 0.467 259 D N 1.132 121.531 120.400 -0.002 0.000 2.123 259 D HA -0.065 4.574 4.640 -0.001 0.000 0.196 259 D C 1.572 177.877 176.300 0.007 0.000 0.992 259 D CA 1.974 55.970 54.000 -0.007 0.000 0.833 259 D CB -0.267 40.526 40.800 -0.012 0.000 0.954 259 D HN 0.709 nan 8.370 nan 0.000 0.455 260 E N 0.937 121.147 120.200 0.017 0.000 2.085 260 E HA -0.150 4.199 4.350 -0.001 0.000 0.194 260 E C 2.005 178.643 176.600 0.063 0.000 0.994 260 E CA 0.845 57.269 56.400 0.039 0.000 0.801 260 E CB -0.234 29.481 29.700 0.026 0.000 0.743 260 E HN 0.345 nan 8.360 nan 0.000 0.453 261 E N 0.236 120.459 120.200 0.038 0.000 2.031 261 E HA -0.151 4.199 4.350 -0.001 0.000 0.193 261 E C 2.149 178.794 176.600 0.075 0.000 0.994 261 E CA 0.688 57.116 56.400 0.046 0.000 0.800 261 E CB -0.374 29.336 29.700 0.017 0.000 0.752 261 E HN 0.178 nan 8.360 nan 0.000 0.447 262 L N 1.375 122.621 121.223 0.039 0.000 1.989 262 L HA -0.163 4.177 4.340 -0.001 0.000 0.211 262 L C 2.262 179.147 176.870 0.025 0.000 1.071 262 L CA 1.539 56.391 54.840 0.019 0.000 0.749 262 L CB -0.607 41.441 42.059 -0.019 0.000 0.890 262 L HN 0.062 nan 8.230 nan 0.000 0.431 263 I N -1.101 119.485 120.570 0.027 0.000 2.226 263 I HA -0.320 3.850 4.170 -0.001 0.000 0.245 263 I C 2.610 178.809 176.117 0.135 0.000 1.100 263 I CA 1.476 62.809 61.300 0.055 0.000 1.374 263 I CB -0.683 37.352 38.000 0.058 0.000 1.057 263 I HN 0.479 nan 8.210 nan 0.000 0.413 264 H N 0.547 119.654 119.070 0.061 0.000 2.319 264 H HA -0.266 4.290 4.556 -0.001 0.000 0.299 264 H C 2.464 177.830 175.328 0.063 0.000 1.092 264 H CA 2.308 58.392 56.048 0.061 0.000 1.302 264 H CB -0.245 29.540 29.762 0.038 0.000 1.373 264 H HN 0.497 nan 8.280 nan 0.000 0.497 265 c N 0.889 119.594 118.600 0.175 0.000 2.432 265 c HA -0.110 4.460 4.570 -0.001 0.000 0.277 265 c C 3.098 177.221 174.090 0.057 0.000 1.249 265 c CA 0.938 57.338 56.329 0.119 0.000 1.725 265 c CB -1.415 41.158 42.510 0.106 0.000 2.028 265 c HN 0.576 nan 8.230 nan 0.000 0.477 266 L N 0.211 121.484 121.223 0.083 0.000 2.191 266 L HA -0.103 4.236 4.340 -0.001 0.000 0.212 266 L C 2.923 179.891 176.870 0.163 0.000 1.103 266 L CA 1.456 56.380 54.840 0.139 0.000 0.769 266 L CB -0.634 41.516 42.059 0.152 0.000 0.908 266 L HN 0.380 nan 8.230 nan 0.000 0.438 267 R N -0.588 119.969 120.500 0.094 0.000 2.236 267 R HA -0.056 4.283 4.340 -0.001 0.000 0.208 267 R C 1.763 178.005 176.300 -0.097 0.000 1.036 267 R CA 0.412 56.487 56.100 -0.041 0.000 1.001 267 R CB 0.102 30.353 30.300 -0.082 0.000 0.896 267 R HN 0.283 nan 8.270 nan 0.000 0.464 268 E N 0.626 120.765 120.200 -0.103 0.000 2.385 268 E HA 0.016 4.365 4.350 -0.001 0.000 0.194 268 E C 0.073 176.666 176.600 -0.012 0.000 1.013 268 E CA 0.486 56.841 56.400 -0.076 0.000 0.866 268 E CB 0.273 29.930 29.700 -0.072 0.000 0.832 268 E HN 0.055 nan 8.360 nan 0.000 0.500 269 K N 1.931 122.339 120.400 0.014 0.000 2.382 269 K HA 0.088 4.408 4.320 -0.001 0.000 0.275 269 K C 0.671 177.304 176.600 0.056 0.000 1.009 269 K CA -0.056 56.256 56.287 0.042 0.000 0.970 269 K CB 0.726 33.260 32.500 0.057 0.000 0.934 269 K HN -0.154 nan 8.250 nan 0.000 0.479 270 K N 2.488 122.926 120.400 0.065 0.000 2.219 270 K HA 0.053 4.373 4.320 -0.001 0.000 0.258 270 K C -1.601 175.082 176.600 0.139 0.000 1.008 270 K CA -1.597 54.735 56.287 0.075 0.000 0.928 270 K CB -0.011 32.523 32.500 0.058 0.000 0.983 270 K HN 0.201 nan 8.250 nan 0.000 0.484 271 P HA -0.217 nan 4.420 nan 0.000 0.215 271 P C 1.222 178.715 177.300 0.321 0.000 1.163 271 P CA 1.405 64.696 63.100 0.319 0.000 0.894 271 P CB 0.270 31.995 31.700 0.041 0.000 0.791 272 Q N 0.082 119.991 119.800 0.181 0.000 2.297 272 Q HA -0.203 4.136 4.340 -0.001 0.000 0.208 272 Q C 1.845 177.949 176.000 0.174 0.000 0.981 272 Q CA 1.655 57.561 55.803 0.170 0.000 0.876 272 Q CB -0.824 27.980 28.738 0.109 0.000 0.921 272 Q HN 0.381 nan 8.270 nan 0.000 0.446 273 E N -1.113 119.177 120.200 0.150 0.000 2.152 273 E HA -0.139 4.211 4.350 -0.001 0.000 0.192 273 E C 1.529 178.207 176.600 0.130 0.000 0.983 273 E CA 0.735 57.209 56.400 0.125 0.000 0.818 273 E CB 0.042 29.799 29.700 0.095 0.000 0.758 273 E HN 0.230 nan 8.360 nan 0.000 0.467 274 L N 0.608 121.915 121.223 0.139 0.000 2.072 274 L HA -0.111 4.229 4.340 -0.001 0.000 0.205 274 L C 2.161 179.120 176.870 0.148 0.000 1.079 274 L CA 1.377 56.265 54.840 0.081 0.000 0.752 274 L CB -0.392 41.625 42.059 -0.069 0.000 0.906 274 L HN 0.144 nan 8.230 nan 0.000 0.436 275 I N -0.512 120.208 120.570 0.250 0.000 2.286 275 I HA -0.281 3.889 4.170 -0.001 0.000 0.248 275 I C 1.846 178.159 176.117 0.326 0.000 1.115 275 I CA 0.995 62.488 61.300 0.322 0.000 1.392 275 I CB -0.413 37.820 38.000 0.388 0.000 1.065 275 I HN 0.246 nan 8.210 nan 0.000 0.418 276 D N 0.416 120.973 120.400 0.262 0.000 2.221 276 D HA -0.123 4.516 4.640 -0.001 0.000 0.204 276 D C 1.857 178.295 176.300 0.230 0.000 0.982 276 D CA 1.494 55.642 54.000 0.247 0.000 0.857 276 D CB 0.068 40.972 40.800 0.173 0.000 0.934 276 D HN 0.405 nan 8.370 nan 0.000 0.475 277 V N -2.789 117.240 119.914 0.192 0.000 3.477 277 V HA 0.195 4.314 4.120 -0.001 0.000 0.297 277 V C 1.790 177.976 176.094 0.153 0.000 1.433 277 V CA -0.068 62.329 62.300 0.162 0.000 1.052 277 V CB 0.369 32.262 31.823 0.117 0.000 0.895 277 V HN -0.073 nan 8.190 nan 0.000 0.438 278 E N 0.984 121.273 120.200 0.149 0.000 2.086 278 E HA -0.287 4.063 4.350 -0.001 0.000 0.200 278 E C 1.528 178.057 176.600 -0.117 0.000 1.012 278 E CA 2.725 59.165 56.400 0.067 0.000 0.812 278 E CB -0.236 29.439 29.700 -0.041 0.000 0.743 278 E HN 0.804 nan 8.360 nan 0.000 0.453 279 W N 0.711 121.994 121.300 -0.030 0.000 2.825 279 W HA 0.036 4.696 4.660 -0.001 0.000 0.243 279 W C 1.420 177.895 176.519 -0.074 0.000 1.293 279 W CA -0.061 57.218 57.345 -0.110 0.000 1.403 279 W CB 0.109 29.462 29.460 -0.179 0.000 1.134 279 W HN 0.094 nan 8.180 nan 0.000 0.666 280 N N 0.050 118.836 118.700 0.143 0.000 2.461 280 N HA -0.066 4.673 4.740 -0.001 0.000 0.188 280 N C 1.601 177.121 175.510 0.016 0.000 1.134 280 N CA 1.080 54.180 53.050 0.084 0.000 0.878 280 N CB -0.212 38.322 38.487 0.079 0.000 0.972 280 N HN 0.250 nan 8.380 nan 0.000 0.456 281 V N -2.491 117.399 119.914 -0.041 0.000 3.621 281 V HA 0.282 4.402 4.120 -0.001 0.000 0.285 281 V C 0.760 176.757 176.094 -0.162 0.000 1.346 281 V CA -0.196 62.041 62.300 -0.106 0.000 1.104 281 V CB -0.484 31.253 31.823 -0.143 0.000 0.913 281 V HN -0.031 nan 8.190 nan 0.000 0.432 282 L N 2.410 123.556 121.223 -0.129 0.000 2.514 282 L HA 0.168 4.508 4.340 -0.001 0.000 0.280 282 L C -0.300 176.457 176.870 -0.189 0.000 1.223 282 L CA -0.652 54.105 54.840 -0.137 0.000 0.864 282 L CB 0.600 42.643 42.059 -0.026 0.000 1.118 282 L HN 0.180 nan 8.230 nan 0.000 0.494 283 P HA -0.016 nan 4.420 nan 0.000 0.224 283 P C -0.215 176.680 177.300 -0.675 0.000 1.157 283 P CA 1.047 63.775 63.100 -0.620 0.000 0.799 283 P CB 0.338 31.446 31.700 -0.986 0.000 0.809 284 F N -0.473 119.477 119.950 0.000 0.000 2.611 284 F HA 0.406 4.933 4.527 -0.001 0.000 0.324 284 F C 0.355 176.163 175.800 0.012 0.000 1.061 284 F CA -1.631 56.376 58.000 0.011 0.000 0.954 284 F CB 0.172 39.185 39.000 0.023 0.000 1.301 284 F HN -0.360 nan 8.300 nan 0.000 0.482 285 D N 1.167 121.709 120.400 0.236 0.000 2.343 285 D HA 0.449 5.089 4.640 -0.001 0.000 0.255 285 D C -0.720 175.656 176.300 0.126 0.000 1.187 285 D CA 0.440 54.517 54.000 0.127 0.000 0.875 285 D CB 0.484 41.337 40.800 0.089 0.000 1.136 285 D HN 0.632 nan 8.370 nan 0.000 0.469 286 S N 2.488 118.248 115.700 0.100 0.000 2.611 286 S HA 0.665 5.135 4.470 -0.001 0.000 0.268 286 S C -0.411 174.223 174.600 0.057 0.000 1.156 286 S CA -1.029 57.224 58.200 0.088 0.000 0.817 286 S CB 0.488 63.770 63.200 0.136 0.000 1.122 286 S HN 0.475 nan 8.310 nan 0.000 0.466 287 I N -2.715 117.890 120.570 0.057 0.000 2.957 287 I HA 0.823 4.993 4.170 -0.001 0.000 0.310 287 I C -0.196 175.956 176.117 0.059 0.000 1.063 287 I CA -1.154 60.184 61.300 0.064 0.000 1.033 287 I CB 1.074 39.131 38.000 0.095 0.000 1.230 287 I HN 0.788 nan 8.210 nan 0.000 0.447 288 F N 1.498 121.330 119.950 -0.197 0.000 3.080 288 F HA -0.174 4.353 4.527 -0.001 0.000 0.292 288 F C -0.331 174.969 175.800 -0.833 0.000 0.891 288 F CA 0.599 58.260 58.000 -0.565 0.000 1.086 288 F CB -0.619 38.017 39.000 -0.605 0.000 1.095 288 F HN 0.593 nan 8.300 nan 0.000 0.633 289 R N 0.370 120.413 120.500 -0.760 0.000 2.621 289 R HA 0.641 4.980 4.340 -0.001 0.000 0.284 289 R C -1.024 174.771 176.300 -0.841 0.000 0.998 289 R CA -0.568 55.136 56.100 -0.660 0.000 0.895 289 R CB 1.354 31.561 30.300 -0.154 0.000 1.195 289 R HN -0.018 nan 8.270 nan 0.000 0.450 290 F N -0.692 119.359 119.950 0.168 0.000 2.563 290 F HA 0.390 4.916 4.527 -0.001 0.000 0.316 290 F C 1.574 177.259 175.800 -0.191 0.000 1.076 290 F CA -0.873 57.123 58.000 -0.006 0.000 0.921 290 F CB 1.724 40.852 39.000 0.214 0.000 1.209 290 F HN 0.350 nan 8.300 nan 0.000 0.462 291 S N 0.711 116.205 115.700 -0.344 0.000 2.344 291 S HA -0.050 4.420 4.470 -0.001 0.000 0.217 291 S C 0.087 174.214 174.600 -0.788 0.000 1.033 291 S CA 1.261 59.060 58.200 -0.668 0.000 1.017 291 S CB -0.246 62.374 63.200 -0.966 0.000 0.941 291 S HN 0.341 nan 8.310 nan 0.000 0.430 292 F N 1.604 121.559 119.950 0.008 0.000 2.361 292 F HA 0.563 5.089 4.527 -0.001 0.000 0.364 292 F C 0.091 175.926 175.800 0.060 0.000 1.117 292 F CA -0.958 57.091 58.000 0.081 0.000 1.071 292 F CB 1.123 40.212 39.000 0.149 0.000 1.188 292 F HN -0.058 nan 8.300 nan 0.000 0.464 293 V N 0.947 120.865 119.914 0.008 0.000 3.167 293 V HA 0.751 4.870 4.120 -0.001 0.000 0.310 293 V C -2.909 172.926 176.094 -0.431 0.000 1.207 293 V CA -3.312 58.698 62.300 -0.483 0.000 1.059 293 V CB 1.927 33.551 31.823 -0.332 0.000 1.079 293 V HN 0.277 nan 8.190 nan 0.000 0.446 294 P HA 0.223 nan 4.420 nan 0.000 0.266 294 P C -0.645 176.575 177.300 -0.133 0.000 1.186 294 P CA 0.363 63.285 63.100 -0.296 0.000 0.767 294 P CB 0.361 31.799 31.700 -0.438 0.000 0.820 295 V N 1.084 121.019 119.914 0.034 0.000 2.628 295 V HA 0.425 4.544 4.120 -0.001 0.000 0.306 295 V C -0.025 176.121 176.094 0.087 0.000 1.045 295 V CA -0.915 61.389 62.300 0.008 0.000 0.905 295 V CB 1.844 33.684 31.823 0.028 0.000 0.997 295 V HN 0.224 nan 8.190 nan 0.000 0.436 296 I N 4.840 125.391 120.570 -0.031 0.000 2.311 296 I HA 0.218 4.388 4.170 -0.001 0.000 0.297 296 I C 0.773 176.903 176.117 0.021 0.000 1.131 296 I CA 0.190 61.497 61.300 0.011 0.000 1.289 296 I CB 0.193 38.121 38.000 -0.119 0.000 1.446 296 I HN 0.980 nan 8.210 nan 0.000 0.524 297 D N 3.405 123.886 120.400 0.135 0.000 2.407 297 D HA 0.098 4.738 4.640 -0.001 0.000 0.208 297 D C 1.331 177.651 176.300 0.033 0.000 1.083 297 D CA 0.641 54.628 54.000 -0.023 0.000 0.844 297 D CB 0.652 41.510 40.800 0.096 0.000 0.967 297 D HN 0.648 nan 8.370 nan 0.000 0.506 298 G N -0.340 108.527 108.800 0.111 0.000 2.176 298 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.253 298 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.253 298 G C 0.898 175.869 174.900 0.119 0.000 0.979 298 G CA 0.704 45.868 45.100 0.108 0.000 0.641 298 G HN 0.395 nan 8.290 nan 0.000 0.530 299 E N -1.240 119.044 120.200 0.139 0.000 2.592 299 E HA 0.419 4.768 4.350 -0.001 0.000 0.184 299 E C 1.713 178.338 176.600 0.042 0.000 1.056 299 E CA 0.365 56.823 56.400 0.097 0.000 1.151 299 E CB -0.703 29.073 29.700 0.126 0.000 1.435 299 E HN 0.469 nan 8.360 nan 0.000 0.496 300 F N 0.813 120.688 119.950 -0.125 0.000 2.134 300 F HA 0.120 4.646 4.527 -0.001 0.000 0.299 300 F C 0.304 175.808 175.800 -0.494 0.000 1.097 300 F CA 1.023 58.813 58.000 -0.351 0.000 1.264 300 F CB 0.110 38.814 39.000 -0.493 0.000 1.001 300 F HN 0.052 nan 8.300 nan 0.000 0.479 301 F N 1.899 122.006 119.950 0.262 0.000 2.347 301 F HA 0.345 4.871 4.527 -0.001 0.000 0.366 301 F C -1.431 174.409 175.800 0.068 0.000 1.107 301 F CA -3.021 55.064 58.000 0.143 0.000 1.058 301 F CB 0.463 39.539 39.000 0.128 0.000 1.236 301 F HN -0.204 nan 8.300 nan 0.000 0.456 302 P HA -0.083 nan 4.420 nan 0.000 0.217 302 P C 0.454 177.813 177.300 0.099 0.000 1.150 302 P CA 1.419 64.579 63.100 0.100 0.000 0.832 302 P CB 0.280 32.009 31.700 0.050 0.000 0.787 303 T N -4.336 110.284 114.554 0.110 0.000 2.669 303 T HA 0.439 4.789 4.350 -0.001 0.000 0.283 303 T C -0.103 174.636 174.700 0.066 0.000 1.019 303 T CA -0.543 61.599 62.100 0.071 0.000 1.039 303 T CB 0.888 69.784 68.868 0.048 0.000 1.374 303 T HN 0.078 nan 8.240 nan 0.000 0.523 304 S N 0.012 115.727 115.700 0.026 0.000 2.566 304 S HA 0.159 4.629 4.470 -0.001 0.000 0.280 304 S C 1.464 176.062 174.600 -0.003 0.000 1.343 304 S CA -0.689 57.504 58.200 -0.011 0.000 1.036 304 S CB -0.376 62.815 63.200 -0.015 0.000 0.866 304 S HN 0.650 nan 8.310 nan 0.000 0.526 305 L N 0.574 121.759 121.223 -0.064 0.000 2.046 305 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 305 L C 2.921 179.817 176.870 0.042 0.000 1.077 305 L CA 1.846 56.662 54.840 -0.039 0.000 0.747 305 L CB -0.764 41.205 42.059 -0.150 0.000 0.896 305 L HN 0.793 nan 8.230 nan 0.000 0.432 306 E N 0.673 120.896 120.200 0.037 0.000 2.077 306 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 306 E C 2.256 178.913 176.600 0.095 0.000 0.989 306 E CA 1.730 58.185 56.400 0.093 0.000 0.800 306 E CB -0.070 29.677 29.700 0.077 0.000 0.746 306 E HN 0.491 nan 8.360 nan 0.000 0.452 307 S N -0.660 115.080 115.700 0.066 0.000 2.406 307 S HA -0.106 4.364 4.470 -0.001 0.000 0.228 307 S C 2.110 176.751 174.600 0.070 0.000 1.020 307 S CA 1.035 59.272 58.200 0.061 0.000 0.965 307 S CB -0.311 62.913 63.200 0.039 0.000 0.798 307 S HN 0.227 nan 8.310 nan 0.000 0.488 308 M N 1.044 120.699 119.600 0.093 0.000 2.086 308 M HA 0.040 4.519 4.480 -0.001 0.000 0.261 308 M C 2.214 178.642 176.300 0.214 0.000 1.067 308 M CA 1.417 56.794 55.300 0.129 0.000 1.116 308 M CB -0.664 32.043 32.600 0.179 0.000 1.348 308 M HN 0.301 nan 8.290 nan 0.000 0.407 309 L N -0.018 121.339 121.223 0.224 0.000 2.046 309 L HA -0.237 4.102 4.340 -0.001 0.000 0.208 309 L C 2.220 179.251 176.870 0.268 0.000 1.077 309 L CA 0.948 55.952 54.840 0.273 0.000 0.747 309 L CB -0.816 41.314 42.059 0.119 0.000 0.896 309 L HN 0.364 nan 8.230 nan 0.000 0.432 310 N N -0.231 118.570 118.700 0.168 0.000 2.166 310 N HA -0.139 4.601 4.740 -0.001 0.000 0.186 310 N C 1.888 177.479 175.510 0.135 0.000 1.019 310 N CA 1.715 54.863 53.050 0.163 0.000 0.856 310 N CB -0.124 38.435 38.487 0.120 0.000 0.993 310 N HN 0.343 nan 8.380 nan 0.000 0.426 311 S N -1.208 114.489 115.700 -0.004 0.000 2.575 311 S HA 0.275 4.745 4.470 -0.001 0.000 0.215 311 S C 1.272 175.513 174.600 -0.599 0.000 0.966 311 S CA 0.402 58.518 58.200 -0.139 0.000 0.911 311 S CB 0.225 63.368 63.200 -0.095 0.000 0.780 311 S HN 0.381 nan 8.310 nan 0.000 0.514 312 G N 2.007 110.177 108.800 -1.050 0.000 2.153 312 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.252 312 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.252 312 G C 0.052 174.051 174.900 -1.502 0.000 0.994 312 G CA 0.114 43.875 45.100 -2.231 0.000 0.698 312 G HN 0.616 nan 8.290 nan 0.000 0.521 313 N N 0.687 118.967 118.700 -0.700 0.000 2.819 313 N HA 0.490 5.230 4.740 -0.001 0.000 0.284 313 N C -0.128 175.336 175.510 -0.076 0.000 1.196 313 N CA 0.053 52.900 53.050 -0.338 0.000 1.114 313 N CB -0.985 37.432 38.487 -0.116 0.000 1.437 313 N HN 0.725 nan 8.380 nan 0.000 0.518 314 F N -1.279 118.607 119.950 -0.107 0.000 2.807 314 F HA 0.390 4.917 4.527 -0.000 0.000 0.316 314 F C -0.368 175.443 175.800 0.018 0.000 1.162 314 F CA -1.421 56.587 58.000 0.013 0.000 0.910 314 F CB 0.622 39.694 39.000 0.121 0.000 1.314 314 F HN -0.177 nan 8.300 nan 0.000 0.454 315 K N 1.871 122.515 120.400 0.406 0.000 2.447 315 K HA 0.194 4.513 4.320 -0.001 0.000 0.281 315 K C -0.982 175.850 176.600 0.386 0.000 1.031 315 K CA -0.152 56.285 56.287 0.251 0.000 1.019 315 K CB 0.489 33.083 32.500 0.158 0.000 0.918 315 K HN 0.722 nan 8.250 nan 0.000 0.476 316 K N 3.062 123.567 120.400 0.176 0.000 2.253 316 K HA 0.168 4.488 4.320 -0.001 0.000 0.277 316 K C -0.182 176.541 176.600 0.205 0.000 1.053 316 K CA -0.353 56.045 56.287 0.184 0.000 0.892 316 K CB 1.786 34.297 32.500 0.018 0.000 1.102 316 K HN 0.635 nan 8.250 nan 0.000 0.469 317 T N 1.398 116.164 114.554 0.353 0.000 2.647 317 T HA 0.186 4.535 4.350 -0.001 0.000 0.302 317 T C -1.512 173.392 174.700 0.339 0.000 1.389 317 T CA -0.652 61.599 62.100 0.251 0.000 1.037 317 T CB 0.829 69.811 68.868 0.189 0.000 1.755 317 T HN 0.424 nan 8.240 nan 0.000 0.467 318 Q N 1.122 121.086 119.800 0.273 0.000 2.230 318 Q HA 0.742 5.081 4.340 -0.001 0.000 0.253 318 Q C -0.333 175.964 176.000 0.495 0.000 0.919 318 Q CA -0.455 55.570 55.803 0.371 0.000 0.908 318 Q CB 1.331 30.268 28.738 0.332 0.000 1.245 318 Q HN 0.672 nan 8.270 nan 0.000 0.437 319 I N -1.209 119.577 120.570 0.360 0.000 2.828 319 I HA 0.721 4.891 4.170 -0.001 0.000 0.302 319 I C -1.425 174.553 176.117 -0.232 0.000 1.101 319 I CA -1.420 59.948 61.300 0.113 0.000 1.031 319 I CB 1.857 39.745 38.000 -0.187 0.000 1.231 319 I HN 0.554 nan 8.210 nan 0.000 0.427 320 L N 6.837 127.687 121.223 -0.621 0.000 2.410 320 L HA 0.819 5.159 4.340 -0.001 0.000 0.270 320 L C -1.363 175.264 176.870 -0.405 0.000 0.983 320 L CA -0.538 53.832 54.840 -0.784 0.000 0.822 320 L CB 1.756 42.813 42.059 -1.670 0.000 1.285 320 L HN 0.884 nan 8.230 nan 0.000 0.409 321 L N 2.414 123.521 121.223 -0.192 0.000 2.720 321 L HA 1.099 5.438 4.340 -0.001 0.000 0.261 321 L C -0.873 175.724 176.870 -0.454 0.000 1.046 321 L CA -0.367 54.379 54.840 -0.156 0.000 0.886 321 L CB 1.822 43.793 42.059 -0.147 0.000 1.493 321 L HN 0.717 nan 8.230 nan 0.000 0.407 322 G N -0.155 108.197 108.800 -0.746 0.000 2.342 322 G HA2 0.577 4.537 3.960 -0.001 0.000 0.297 322 G HA3 0.577 4.537 3.960 -0.001 0.000 0.297 322 G C -1.551 173.021 174.900 -0.546 0.000 1.313 322 G CA 0.000 44.333 45.100 -1.278 0.000 0.830 322 G HN 1.520 nan 8.290 nan 0.000 0.506 323 V N -2.446 117.325 119.914 -0.239 0.000 3.141 323 V HA 0.885 5.005 4.120 -0.001 0.000 0.312 323 V C -0.900 175.325 176.094 0.218 0.000 1.157 323 V CA -1.419 60.947 62.300 0.110 0.000 1.041 323 V CB 1.952 33.853 31.823 0.129 0.000 1.071 323 V HN 0.698 nan 8.190 nan 0.000 0.441 324 N N 0.614 119.437 118.700 0.206 0.000 2.443 324 N HA 0.445 5.185 4.740 -0.001 0.000 0.293 324 N C 0.523 175.996 175.510 -0.062 0.000 1.159 324 N CA -0.601 52.531 53.050 0.136 0.000 0.904 324 N CB 1.801 40.470 38.487 0.304 0.000 1.214 324 N HN 0.911 nan 8.380 nan 0.000 0.513 325 K N 0.012 120.264 120.400 -0.248 0.000 2.057 325 K HA -0.064 4.256 4.320 -0.001 0.000 0.207 325 K C -0.626 176.064 176.600 0.151 0.000 1.049 325 K CA 1.279 57.506 56.287 -0.100 0.000 0.931 325 K CB 0.179 32.635 32.500 -0.074 0.000 0.714 325 K HN 0.520 nan 8.250 nan 0.000 0.440 326 D N 1.337 121.823 120.400 0.144 0.000 2.683 326 D HA 0.036 4.675 4.640 -0.001 0.000 0.309 326 D C 0.133 176.552 176.300 0.198 0.000 1.238 326 D CA -0.076 54.028 54.000 0.175 0.000 0.936 326 D CB 1.295 42.183 40.800 0.147 0.000 1.001 326 D HN 0.175 nan 8.370 nan 0.000 0.505 327 E N 0.511 120.840 120.200 0.216 0.000 2.153 327 E HA -0.100 4.249 4.350 -0.001 0.000 0.194 327 E C 1.974 178.734 176.600 0.267 0.000 0.988 327 E CA 0.557 57.105 56.400 0.247 0.000 0.811 327 E CB 0.140 29.956 29.700 0.193 0.000 0.746 327 E HN 0.436 nan 8.360 nan 0.000 0.466 328 G N 1.254 110.190 108.800 0.227 0.000 2.551 328 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.216 328 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.216 328 G C 1.719 176.778 174.900 0.266 0.000 1.137 328 G CA 0.787 46.053 45.100 0.277 0.000 0.798 328 G HN 0.361 nan 8.290 nan 0.000 0.536 329 S N 0.672 116.488 115.700 0.194 0.000 2.387 329 S HA -0.208 4.262 4.470 -0.001 0.000 0.230 329 S C 2.092 176.677 174.600 -0.025 0.000 1.035 329 S CA 1.341 59.620 58.200 0.133 0.000 1.014 329 S CB -0.602 62.645 63.200 0.079 0.000 0.836 329 S HN 0.311 nan 8.310 nan 0.000 0.466 330 F N 2.005 121.783 119.950 -0.286 0.000 2.126 330 F HA -0.004 4.523 4.527 -0.001 0.000 0.299 330 F C 1.682 177.124 175.800 -0.597 0.000 1.096 330 F CA 1.385 59.028 58.000 -0.596 0.000 1.255 330 F CB -0.418 38.049 39.000 -0.888 0.000 0.997 330 F HN 0.187 nan 8.300 nan 0.000 0.479 331 F N -0.020 119.920 119.950 -0.017 0.000 2.259 331 F HA -0.073 4.454 4.527 -0.001 0.000 0.298 331 F C 2.092 177.814 175.800 -0.130 0.000 1.088 331 F CA 0.854 58.798 58.000 -0.094 0.000 1.358 331 F CB -0.978 37.963 39.000 -0.098 0.000 1.040 331 F HN -0.074 nan 8.300 nan 0.000 0.505 332 L N -0.601 120.570 121.223 -0.088 0.000 2.056 332 L HA -0.179 4.161 4.340 -0.001 0.000 0.207 332 L C 2.465 179.105 176.870 -0.384 0.000 1.078 332 L CA 0.598 55.155 54.840 -0.473 0.000 0.749 332 L CB -0.689 40.706 42.059 -1.107 0.000 0.901 332 L HN 0.175 nan 8.230 nan 0.000 0.433 333 L N -0.873 120.301 121.223 -0.082 0.000 1.989 333 L HA -0.265 4.075 4.340 -0.001 0.000 0.211 333 L C 2.428 179.374 176.870 0.126 0.000 1.071 333 L CA 2.051 57.025 54.840 0.223 0.000 0.749 333 L CB -0.869 41.316 42.059 0.210 0.000 0.890 333 L HN 0.098 nan 8.230 nan 0.000 0.431 334 Y N -0.188 119.979 120.300 -0.222 0.000 2.293 334 Y HA 0.079 4.628 4.550 -0.001 0.000 0.291 334 Y C 2.332 178.162 175.900 -0.116 0.000 1.137 334 Y CA 1.326 59.309 58.100 -0.195 0.000 1.202 334 Y CB -0.465 37.795 38.460 -0.333 0.000 0.990 334 Y HN 0.351 nan 8.280 nan 0.000 0.537 335 G N -2.110 106.723 108.800 0.056 0.000 3.581 335 G HA2 0.462 4.422 3.960 -0.001 0.000 0.248 335 G HA3 0.462 4.422 3.960 -0.001 0.000 0.248 335 G C -0.148 174.771 174.900 0.032 0.000 1.037 335 G CA 0.378 45.493 45.100 0.025 0.000 0.902 335 G HN 0.317 nan 8.290 nan 0.000 0.512 336 A N 1.437 124.280 122.820 0.038 0.000 2.312 336 A HA 0.830 5.149 4.320 -0.001 0.000 0.328 336 A C -2.477 175.250 177.584 0.239 0.000 1.158 336 A CA -1.560 50.541 52.037 0.107 0.000 0.821 336 A CB 1.247 20.280 19.000 0.055 0.000 1.170 336 A HN 0.063 nan 8.150 nan 0.000 0.490 337 P HA 0.296 nan 4.420 nan 0.000 0.271 337 P C 0.845 178.213 177.300 0.114 0.000 1.216 337 P CA 1.363 64.538 63.100 0.125 0.000 0.776 337 P CB 1.174 32.913 31.700 0.066 0.000 0.881 338 G N 1.800 110.605 108.800 0.009 0.000 2.258 338 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.233 338 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.233 338 G C -0.155 174.550 174.900 -0.326 0.000 1.006 338 G CA -0.448 44.544 45.100 -0.180 0.000 0.620 338 G HN 0.445 nan 8.290 nan 0.000 0.511 339 F N 2.171 122.048 119.950 -0.122 0.000 2.396 339 F HA 0.691 5.217 4.527 -0.001 0.000 0.343 339 F C 0.770 176.550 175.800 -0.033 0.000 1.104 339 F CA -0.063 57.829 58.000 -0.180 0.000 1.161 339 F CB 1.988 40.924 39.000 -0.107 0.000 1.146 339 F HN 0.069 nan 8.300 nan 0.000 0.522 340 S N 1.340 117.140 115.700 0.166 0.000 2.588 340 S HA 0.255 4.724 4.470 -0.001 0.000 0.275 340 S C 0.521 175.341 174.600 0.365 0.000 1.130 340 S CA -1.157 57.176 58.200 0.221 0.000 0.855 340 S CB 2.178 65.434 63.200 0.094 0.000 1.116 340 S HN 0.703 nan 8.310 nan 0.000 0.472 341 K N 0.548 121.117 120.400 0.282 0.000 2.148 341 K HA -0.041 4.279 4.320 -0.001 0.000 0.204 341 K C -0.117 176.563 176.600 0.134 0.000 1.050 341 K CA 1.429 57.812 56.287 0.161 0.000 0.942 341 K CB 0.039 32.350 32.500 -0.315 0.000 0.724 341 K HN 0.462 nan 8.250 nan 0.000 0.446 342 D N 0.510 120.962 120.400 0.086 0.000 2.388 342 D HA 0.030 4.670 4.640 -0.001 0.000 0.221 342 D C -0.020 176.329 176.300 0.081 0.000 1.133 342 D CA 0.095 54.126 54.000 0.051 0.000 0.831 342 D CB 0.790 41.584 40.800 -0.011 0.000 0.962 342 D HN 0.214 nan 8.370 nan 0.000 0.502 343 S N -1.160 114.610 115.700 0.118 0.000 2.751 343 S HA 0.376 4.846 4.470 -0.001 0.000 0.310 343 S C 0.728 175.361 174.600 0.055 0.000 1.128 343 S CA -0.704 57.522 58.200 0.042 0.000 0.931 343 S CB 2.489 65.665 63.200 -0.039 0.000 1.177 343 S HN -0.131 nan 8.310 nan 0.000 0.530 344 E N 0.021 120.193 120.200 -0.046 0.000 2.478 344 E HA 0.163 4.513 4.350 -0.001 0.000 0.194 344 E C -0.597 175.743 176.600 -0.434 0.000 1.045 344 E CA 0.102 56.477 56.400 -0.041 0.000 0.868 344 E CB 0.028 29.717 29.700 -0.018 0.000 0.885 344 E HN 0.693 nan 8.360 nan 0.000 0.505 345 S N 1.203 116.595 115.700 -0.514 0.000 3.711 345 S HA -0.154 4.316 4.470 -0.001 0.000 0.374 345 S C -0.411 173.791 174.600 -0.663 0.000 0.969 345 S CA 0.625 58.357 58.200 -0.780 0.000 1.198 345 S CB -1.076 61.221 63.200 -1.504 0.000 0.903 345 S HN 0.252 nan 8.310 nan 0.000 0.493 346 K N 0.976 121.138 120.400 -0.397 0.000 2.322 346 K HA 0.340 4.659 4.320 -0.001 0.000 0.283 346 K C 0.263 176.665 176.600 -0.330 0.000 1.042 346 K CA -0.234 55.877 56.287 -0.293 0.000 0.958 346 K CB 0.470 32.864 32.500 -0.177 0.000 0.984 346 K HN 0.206 nan 8.250 nan 0.000 0.473 347 I N 2.767 123.156 120.570 -0.302 0.000 2.336 347 I HA 0.052 4.221 4.170 -0.001 0.000 0.292 347 I C 0.951 176.996 176.117 -0.120 0.000 0.991 347 I CA -0.347 60.796 61.300 -0.261 0.000 1.227 347 I CB 1.114 38.959 38.000 -0.258 0.000 1.366 347 I HN 0.680 nan 8.210 nan 0.000 0.466 348 S N 6.064 121.708 115.700 -0.093 0.000 2.589 348 S HA 0.163 4.633 4.470 -0.001 0.000 0.265 348 S C 1.228 175.833 174.600 0.009 0.000 1.342 348 S CA -0.265 57.906 58.200 -0.047 0.000 1.005 348 S CB 1.353 64.531 63.200 -0.036 0.000 0.909 348 S HN 0.626 nan 8.310 nan 0.000 0.555 349 R N 0.836 121.335 120.500 -0.002 0.000 2.105 349 R HA -0.096 4.244 4.340 -0.001 0.000 0.239 349 R C 2.247 178.621 176.300 0.124 0.000 1.135 349 R CA 2.237 58.353 56.100 0.025 0.000 0.967 349 R CB -0.831 29.471 30.300 0.005 0.000 0.861 349 R HN 0.934 nan 8.270 nan 0.000 0.442 350 E N -0.413 119.836 120.200 0.083 0.000 2.072 350 E HA -0.168 4.182 4.350 -0.001 0.000 0.191 350 E C 0.937 177.594 176.600 0.096 0.000 0.985 350 E CA 1.419 57.871 56.400 0.086 0.000 0.801 350 E CB -0.044 29.685 29.700 0.048 0.000 0.750 350 E HN 0.315 nan 8.360 nan 0.000 0.452 351 D N -0.148 120.298 120.400 0.077 0.000 2.219 351 D HA -0.131 4.509 4.640 -0.001 0.000 0.205 351 D C 1.528 177.898 176.300 0.116 0.000 0.970 351 D CA 0.474 54.514 54.000 0.067 0.000 0.851 351 D CB -0.270 40.534 40.800 0.007 0.000 0.943 351 D HN 0.196 nan 8.370 nan 0.000 0.488 352 F N 0.873 120.828 119.950 0.009 0.000 2.102 352 F HA -0.142 4.385 4.527 -0.001 0.000 0.298 352 F C 2.293 178.122 175.800 0.049 0.000 1.105 352 F CA 1.340 59.358 58.000 0.031 0.000 1.239 352 F CB -0.186 38.811 39.000 -0.005 0.000 0.991 352 F HN -0.155 nan 8.300 nan 0.000 0.474 353 M N -0.229 119.485 119.600 0.190 0.000 2.229 353 M HA -0.170 4.309 4.480 -0.001 0.000 0.264 353 M C 2.367 178.669 176.300 0.002 0.000 1.063 353 M CA 1.792 57.149 55.300 0.096 0.000 1.114 353 M CB -0.485 32.218 32.600 0.170 0.000 1.387 353 M HN 0.388 nan 8.290 nan 0.000 0.420 354 S N -0.354 115.358 115.700 0.020 0.000 2.461 354 S HA 0.001 4.470 4.470 -0.001 0.000 0.228 354 S C 1.904 176.493 174.600 -0.018 0.000 1.005 354 S CA 0.867 59.072 58.200 0.009 0.000 0.942 354 S CB -0.733 62.484 63.200 0.030 0.000 0.776 354 S HN 0.498 nan 8.310 nan 0.000 0.514 355 G N 1.759 110.531 108.800 -0.046 0.000 2.402 355 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.216 355 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.216 355 G C 1.579 176.394 174.900 -0.140 0.000 1.162 355 G CA 0.918 45.980 45.100 -0.062 0.000 0.777 355 G HN 0.798 nan 8.290 nan 0.000 0.539 356 V N 0.439 120.207 119.914 -0.244 0.000 2.427 356 V HA -0.016 4.104 4.120 -0.001 0.000 0.248 356 V C 2.526 178.561 176.094 -0.098 0.000 1.051 356 V CA 2.709 64.891 62.300 -0.198 0.000 1.048 356 V CB -0.400 31.290 31.823 -0.223 0.000 0.666 356 V HN 0.289 nan 8.190 nan 0.000 0.456 357 K N 0.126 120.481 120.400 -0.075 0.000 2.057 357 K HA -0.101 4.219 4.320 -0.001 0.000 0.207 357 K C 1.856 178.423 176.600 -0.055 0.000 1.049 357 K CA 2.063 58.313 56.287 -0.062 0.000 0.931 357 K CB -0.739 31.739 32.500 -0.036 0.000 0.714 357 K HN 0.466 nan 8.250 nan 0.000 0.440 358 L N 0.596 121.800 121.223 -0.032 0.000 2.141 358 L HA -0.004 4.336 4.340 -0.001 0.000 0.209 358 L C 1.997 178.870 176.870 0.005 0.000 1.094 358 L CA 1.606 56.444 54.840 -0.003 0.000 0.763 358 L CB -0.781 41.283 42.059 0.009 0.000 0.908 358 L HN 0.151 nan 8.230 nan 0.000 0.437 359 S N -1.644 114.047 115.700 -0.016 0.000 2.436 359 S HA 0.051 4.521 4.470 -0.001 0.000 0.228 359 S C 0.921 175.532 174.600 0.019 0.000 1.014 359 S CA 0.359 58.563 58.200 0.006 0.000 0.950 359 S CB 0.249 63.428 63.200 -0.034 0.000 0.784 359 S HN 0.157 nan 8.310 nan 0.000 0.504 360 V N 3.124 123.003 119.914 -0.058 0.000 2.361 360 V HA 0.206 4.325 4.120 -0.001 0.000 0.252 360 V C -1.750 174.178 176.094 -0.276 0.000 0.986 360 V CA -1.399 60.794 62.300 -0.179 0.000 1.033 360 V CB 0.842 32.532 31.823 -0.222 0.000 1.282 360 V HN 0.160 nan 8.190 nan 0.000 0.514 361 P HA -0.211 nan 4.420 nan 0.000 0.217 361 P C 1.191 178.107 177.300 -0.640 0.000 1.148 361 P CA 1.677 64.615 63.100 -0.270 0.000 0.828 361 P CB 0.005 31.677 31.700 -0.045 0.000 0.783 362 H N -0.826 117.960 119.070 -0.473 0.000 2.556 362 H HA 0.437 4.992 4.556 -0.001 0.000 0.268 362 H C 0.520 175.683 175.328 -0.274 0.000 0.996 362 H CA -0.074 55.704 56.048 -0.450 0.000 1.157 362 H CB -0.730 28.942 29.762 -0.150 0.000 1.355 362 H HN 0.010 nan 8.280 nan 0.000 0.597 363 A N 2.223 124.679 122.820 -0.606 0.000 2.310 363 A HA 0.303 4.623 4.320 -0.001 0.000 0.299 363 A C 0.355 177.796 177.584 -0.238 0.000 1.147 363 A CA -0.557 51.244 52.037 -0.393 0.000 0.818 363 A CB 0.614 19.387 19.000 -0.378 0.000 1.096 363 A HN 0.621 nan 8.150 nan 0.000 0.495 364 N N 0.787 119.390 118.700 -0.161 0.000 2.322 364 N HA 0.095 4.835 4.740 -0.001 0.000 0.270 364 N C 0.333 175.794 175.510 -0.082 0.000 1.286 364 N CA 0.140 53.127 53.050 -0.105 0.000 0.948 364 N CB -0.264 38.177 38.487 -0.076 0.000 1.164 364 N HN 0.350 nan 8.380 nan 0.000 0.551 365 D N -1.271 119.099 120.400 -0.050 0.000 2.178 365 D HA -0.106 4.533 4.640 -0.001 0.000 0.201 365 D C 1.829 178.122 176.300 -0.011 0.000 0.980 365 D CA 0.841 54.825 54.000 -0.026 0.000 0.842 365 D CB -0.266 40.527 40.800 -0.013 0.000 0.948 365 D HN 0.483 nan 8.370 nan 0.000 0.472 366 L N 0.905 122.118 121.223 -0.017 0.000 2.056 366 L HA 0.103 4.443 4.340 -0.001 0.000 0.207 366 L C 2.555 179.429 176.870 0.007 0.000 1.078 366 L CA 2.118 56.958 54.840 0.001 0.000 0.749 366 L CB -1.048 41.003 42.059 -0.013 0.000 0.901 366 L HN 0.177 nan 8.230 nan 0.000 0.433 367 G N -0.383 108.393 108.800 -0.040 0.000 2.421 367 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.216 367 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.216 367 G C 1.579 176.477 174.900 -0.004 0.000 1.171 367 G CA 1.101 46.164 45.100 -0.060 0.000 0.775 367 G HN 0.434 nan 8.290 nan 0.000 0.543 368 L N 0.405 121.618 121.223 -0.018 0.000 2.131 368 L HA -0.048 4.292 4.340 -0.001 0.000 0.210 368 L C 2.451 179.372 176.870 0.086 0.000 1.092 368 L CA 0.969 55.819 54.840 0.017 0.000 0.759 368 L CB -0.336 41.718 42.059 -0.008 0.000 0.903 368 L HN 0.090 nan 8.230 nan 0.000 0.435 369 D N 0.317 120.769 120.400 0.088 0.000 2.097 369 D HA -0.136 4.503 4.640 -0.001 0.000 0.197 369 D C 2.281 178.684 176.300 0.171 0.000 0.984 369 D CA 1.498 55.575 54.000 0.127 0.000 0.826 369 D CB -0.033 40.822 40.800 0.091 0.000 0.973 369 D HN 0.281 nan 8.370 nan 0.000 0.460 370 A N 0.706 123.640 122.820 0.190 0.000 1.908 370 A HA -0.173 4.147 4.320 -0.001 0.000 0.218 370 A C 2.552 180.287 177.584 0.252 0.000 1.181 370 A CA 1.558 53.773 52.037 0.296 0.000 0.627 370 A CB -0.820 18.454 19.000 0.457 0.000 0.818 370 A HN 0.155 nan 8.150 nan 0.000 0.445 371 V N -0.392 119.681 119.914 0.264 0.000 2.295 371 V HA -0.236 3.883 4.120 -0.001 0.000 0.246 371 V C 2.733 178.951 176.094 0.207 0.000 1.049 371 V CA 2.491 64.887 62.300 0.161 0.000 1.024 371 V CB -1.442 30.497 31.823 0.194 0.000 0.648 371 V HN 0.604 nan 8.190 nan 0.000 0.447 372 T N 0.641 115.344 114.554 0.248 0.000 2.720 372 T HA -0.234 4.116 4.350 -0.001 0.000 0.268 372 T C 1.908 176.816 174.700 0.346 0.000 1.037 372 T CA 2.083 64.405 62.100 0.370 0.000 1.144 372 T CB -0.390 68.701 68.868 0.373 0.000 0.864 372 T HN 0.362 nan 8.240 nan 0.000 0.444 373 L N 0.941 122.358 121.223 0.323 0.000 2.017 373 L HA -0.105 4.234 4.340 -0.001 0.000 0.208 373 L C 2.569 179.527 176.870 0.146 0.000 1.073 373 L CA 1.809 56.877 54.840 0.381 0.000 0.745 373 L CB -0.531 41.666 42.059 0.231 0.000 0.894 373 L HN 0.102 nan 8.230 nan 0.000 0.432 374 Q N -1.231 118.518 119.800 -0.085 0.000 2.170 374 Q HA -0.199 4.141 4.340 -0.001 0.000 0.203 374 Q C 1.280 177.000 176.000 -0.466 0.000 0.976 374 Q CA 1.938 57.496 55.803 -0.410 0.000 0.858 374 Q CB -0.210 27.961 28.738 -0.945 0.000 0.907 374 Q HN 0.723 nan 8.270 nan 0.000 0.433 375 Y N -1.246 119.006 120.300 -0.080 0.000 2.467 375 Y HA 0.305 4.854 4.550 -0.001 0.000 0.250 375 Y C -0.081 175.745 175.900 -0.122 0.000 1.155 375 Y CA -0.115 57.985 58.100 -0.000 0.000 1.249 375 Y CB 0.929 39.502 38.460 0.188 0.000 1.146 375 Y HN -0.175 nan 8.280 nan 0.000 0.524 376 T N 0.789 115.197 114.554 -0.242 0.000 2.795 376 T HA 0.084 4.434 4.350 -0.001 0.000 0.282 376 T C -0.738 173.515 174.700 -0.744 0.000 0.980 376 T CA -0.641 61.022 62.100 -0.729 0.000 1.012 376 T CB 0.943 68.964 68.868 -1.411 0.000 0.936 376 T HN 0.000 nan 8.240 nan 0.000 0.457 377 D N 2.094 122.145 120.400 -0.581 0.000 2.441 377 D HA 0.105 4.745 4.640 -0.001 0.000 0.221 377 D C 0.108 176.169 176.300 -0.398 0.000 1.156 377 D CA -0.796 52.987 54.000 -0.362 0.000 0.896 377 D CB 0.299 40.970 40.800 -0.215 0.000 1.028 377 D HN 0.601 nan 8.370 nan 0.000 0.509 378 W N 3.073 124.331 121.300 -0.070 0.000 2.721 378 W HA -0.004 4.655 4.660 -0.001 0.000 0.245 378 W C 1.870 178.358 176.519 -0.051 0.000 1.276 378 W CA 0.002 57.310 57.345 -0.062 0.000 1.342 378 W CB -0.185 29.244 29.460 -0.051 0.000 1.135 378 W HN 0.392 nan 8.180 nan 0.000 0.654 379 M N -0.685 118.965 119.600 0.084 0.000 2.556 379 M HA 0.079 4.559 4.480 -0.001 0.000 0.245 379 M C 0.098 176.404 176.300 0.009 0.000 1.128 379 M CA 1.104 56.435 55.300 0.053 0.000 1.069 379 M CB 0.109 32.724 32.600 0.026 0.000 1.469 379 M HN -0.192 nan 8.290 nan 0.000 0.494 380 D N 0.648 121.025 120.400 -0.039 0.000 3.453 380 D HA 0.001 4.641 4.640 -0.001 0.000 0.312 380 D C 0.273 176.495 176.300 -0.130 0.000 1.349 380 D CA 0.012 53.973 54.000 -0.065 0.000 0.739 380 D CB 0.262 41.023 40.800 -0.064 0.000 1.312 380 D HN 0.189 nan 8.370 nan 0.000 0.628 381 D N -0.733 119.587 120.400 -0.133 0.000 2.350 381 D HA -0.103 4.536 4.640 -0.001 0.000 0.216 381 D C 0.519 176.698 176.300 -0.201 0.000 0.968 381 D CA 0.266 54.122 54.000 -0.241 0.000 0.894 381 D CB 0.152 40.839 40.800 -0.187 0.000 0.909 381 D HN 0.165 nan 8.370 nan 0.000 0.520 382 N N 0.423 119.052 118.700 -0.119 0.000 2.230 382 N HA -0.027 4.713 4.740 -0.001 0.000 0.202 382 N C -0.184 175.266 175.510 -0.101 0.000 1.119 382 N CA -0.173 52.819 53.050 -0.096 0.000 0.851 382 N CB 0.004 38.459 38.487 -0.053 0.000 0.990 382 N HN 0.363 nan 8.380 nan 0.000 0.497 383 N N 0.415 119.045 118.700 -0.117 0.000 2.416 383 N HA 0.043 4.783 4.740 -0.001 0.000 0.265 383 N C 1.493 176.938 175.510 -0.108 0.000 1.195 383 N CA -0.238 52.753 53.050 -0.098 0.000 0.943 383 N CB 0.665 39.097 38.487 -0.092 0.000 1.115 383 N HN 0.050 nan 8.380 nan 0.000 0.481 384 G N 4.191 112.935 108.800 -0.094 0.000 2.442 384 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.219 384 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.219 384 G C 1.308 176.150 174.900 -0.097 0.000 1.141 384 G CA 0.556 45.591 45.100 -0.108 0.000 0.763 384 G HN 0.599 nan 8.290 nan 0.000 0.554 385 I N 0.825 121.357 120.570 -0.063 0.000 2.233 385 I HA -0.036 4.134 4.170 -0.001 0.000 0.243 385 I C 2.566 178.685 176.117 0.003 0.000 1.093 385 I CA 1.027 62.312 61.300 -0.024 0.000 1.380 385 I CB -1.026 36.974 38.000 0.000 0.000 1.067 385 I HN 0.185 nan 8.210 nan 0.000 0.413 386 K N 0.638 121.023 120.400 -0.025 0.000 2.057 386 K HA -0.154 4.166 4.320 -0.001 0.000 0.207 386 K C 1.874 178.461 176.600 -0.021 0.000 1.049 386 K CA 1.250 57.521 56.287 -0.027 0.000 0.931 386 K CB -0.103 32.346 32.500 -0.086 0.000 0.714 386 K HN 0.292 nan 8.250 nan 0.000 0.440 387 N N 0.746 119.401 118.700 -0.075 0.000 2.142 387 N HA -0.157 4.582 4.740 -0.001 0.000 0.186 387 N C 1.713 177.366 175.510 0.238 0.000 1.023 387 N CA 0.949 53.990 53.050 -0.014 0.000 0.852 387 N CB -0.174 38.266 38.487 -0.078 0.000 0.998 387 N HN 0.201 nan 8.380 nan 0.000 0.424 388 R N 1.046 121.606 120.500 0.100 0.000 2.070 388 R HA -0.104 4.236 4.340 -0.001 0.000 0.233 388 R C 0.868 177.340 176.300 0.287 0.000 1.137 388 R CA 1.588 57.771 56.100 0.138 0.000 0.945 388 R CB -0.060 30.212 30.300 -0.047 0.000 0.845 388 R HN 0.080 nan 8.270 nan 0.000 0.430 389 D N -0.536 119.996 120.400 0.220 0.000 2.178 389 D HA -0.090 4.550 4.640 -0.001 0.000 0.201 389 D C 1.720 178.174 176.300 0.258 0.000 0.980 389 D CA 1.430 55.575 54.000 0.241 0.000 0.842 389 D CB -0.507 40.405 40.800 0.186 0.000 0.948 389 D HN 0.526 nan 8.370 nan 0.000 0.472 390 G N 0.610 109.578 108.800 0.281 0.000 2.422 390 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.218 390 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.218 390 G C 1.546 176.609 174.900 0.271 0.000 1.146 390 G CA 0.230 45.549 45.100 0.365 0.000 0.769 390 G HN 0.173 nan 8.290 nan 0.000 0.547 391 L N 1.076 122.470 121.223 0.286 0.000 2.093 391 L HA 0.039 4.379 4.340 -0.001 0.000 0.208 391 L C 2.303 179.220 176.870 0.077 0.000 1.085 391 L CA 1.980 56.875 54.840 0.092 0.000 0.755 391 L CB -0.668 41.518 42.059 0.211 0.000 0.904 391 L HN 0.334 nan 8.230 nan 0.000 0.435 392 D N -1.046 119.465 120.400 0.185 0.000 2.117 392 D HA -0.208 4.431 4.640 -0.001 0.000 0.197 392 D C 1.655 178.025 176.300 0.117 0.000 0.987 392 D CA 1.316 55.419 54.000 0.173 0.000 0.829 392 D CB 0.091 41.046 40.800 0.258 0.000 0.961 392 D HN 0.266 nan 8.370 nan 0.000 0.460 393 D N -0.272 120.205 120.400 0.127 0.000 2.144 393 D HA -0.081 4.558 4.640 -0.001 0.000 0.200 393 D C 2.283 178.541 176.300 -0.070 0.000 0.978 393 D CA 0.489 54.568 54.000 0.131 0.000 0.833 393 D CB -0.116 40.870 40.800 0.310 0.000 0.961 393 D HN 0.379 nan 8.370 nan 0.000 0.470 394 I N 0.538 120.908 120.570 -0.333 0.000 2.142 394 I HA -0.247 3.922 4.170 -0.001 0.000 0.240 394 I C 2.453 178.405 176.117 -0.275 0.000 1.078 394 I CA 0.718 61.743 61.300 -0.458 0.000 1.343 394 I CB -0.137 37.604 38.000 -0.431 0.000 1.046 394 I HN -0.117 nan 8.210 nan 0.000 0.405 395 V N 0.871 120.686 119.914 -0.164 0.000 2.261 395 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 395 V C 2.577 178.539 176.094 -0.219 0.000 1.047 395 V CA 2.252 64.467 62.300 -0.141 0.000 1.015 395 V CB -1.507 30.320 31.823 0.007 0.000 0.642 395 V HN 0.579 nan 8.190 nan 0.000 0.446 396 G N -0.251 108.493 108.800 -0.093 0.000 2.446 396 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.217 396 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.217 396 G C 1.249 176.059 174.900 -0.149 0.000 1.168 396 G CA 1.138 46.196 45.100 -0.070 0.000 0.771 396 G HN 0.507 nan 8.290 nan 0.000 0.551 397 D N -0.215 120.101 120.400 -0.140 0.000 2.097 397 D HA -0.098 4.541 4.640 -0.001 0.000 0.195 397 D C 2.113 178.088 176.300 -0.543 0.000 0.989 397 D CA 1.404 55.299 54.000 -0.175 0.000 0.827 397 D CB -0.517 40.318 40.800 0.059 0.000 0.966 397 D HN 0.433 nan 8.370 nan 0.000 0.456 398 H N 0.852 119.267 119.070 -1.091 0.000 2.357 398 H HA 0.030 4.586 4.556 -0.001 0.000 0.301 398 H C 1.468 176.403 175.328 -0.654 0.000 1.082 398 H CA 1.642 56.914 56.048 -1.293 0.000 1.342 398 H CB 0.046 28.850 29.762 -1.597 0.000 1.389 398 H HN 0.003 nan 8.280 nan 0.000 0.511 399 N N -0.780 117.433 118.700 -0.811 0.000 2.409 399 N HA 0.004 4.744 4.740 -0.001 0.000 0.174 399 N C 1.189 176.437 175.510 -0.437 0.000 1.037 399 N CA 1.021 53.551 53.050 -0.866 0.000 0.898 399 N CB 1.067 38.544 38.487 -1.683 0.000 1.010 399 N HN 0.269 nan 8.380 nan 0.000 0.445 400 V N 0.514 120.241 119.914 -0.311 0.000 3.278 400 V HA 0.159 4.279 4.120 -0.001 0.000 0.215 400 V C 2.069 178.140 176.094 -0.039 0.000 1.287 400 V CA -0.022 62.235 62.300 -0.071 0.000 1.302 400 V CB 0.136 31.970 31.823 0.018 0.000 1.228 400 V HN -0.059 nan 8.190 nan 0.000 0.523 401 I N 0.583 121.135 120.570 -0.029 0.000 2.113 401 I HA -0.283 3.886 4.170 -0.001 0.000 0.238 401 I C 2.561 178.692 176.117 0.024 0.000 1.070 401 I CA 1.944 63.258 61.300 0.024 0.000 1.332 401 I CB -0.504 37.544 38.000 0.079 0.000 1.044 401 I HN 0.379 nan 8.210 nan 0.000 0.402 402 c N 0.674 119.283 118.600 0.015 0.000 2.440 402 c HA -0.037 4.533 4.570 -0.001 0.000 0.278 402 c C 0.210 174.346 174.090 0.077 0.000 1.295 402 c CA 0.630 57.014 56.329 0.092 0.000 1.738 402 c CB -1.877 40.743 42.510 0.183 0.000 1.987 402 c HN 0.379 nan 8.230 nan 0.000 0.492 403 P HA -0.081 nan 4.420 nan 0.000 0.217 403 P C 1.736 179.075 177.300 0.065 0.000 1.151 403 P CA 1.035 64.132 63.100 -0.004 0.000 0.828 403 P CB -0.193 31.419 31.700 -0.147 0.000 0.788 404 L N -1.861 119.377 121.223 0.024 0.000 2.093 404 L HA -0.116 4.224 4.340 -0.001 0.000 0.208 404 L C 2.061 178.977 176.870 0.077 0.000 1.085 404 L CA 1.550 56.417 54.840 0.044 0.000 0.755 404 L CB -0.496 41.558 42.059 -0.008 0.000 0.904 404 L HN -0.113 nan 8.230 nan 0.000 0.435 405 M N -1.078 118.562 119.600 0.066 0.000 2.175 405 M HA -0.202 4.278 4.480 -0.001 0.000 0.264 405 M C 2.229 178.601 176.300 0.120 0.000 1.063 405 M CA 1.564 56.901 55.300 0.061 0.000 1.119 405 M CB -1.514 31.141 32.600 0.092 0.000 1.377 405 M HN 0.408 nan 8.290 nan 0.000 0.415 406 H N -0.212 118.903 119.070 0.074 0.000 2.357 406 H HA -0.158 4.397 4.556 -0.001 0.000 0.301 406 H C 1.813 177.190 175.328 0.082 0.000 1.082 406 H CA 1.873 57.971 56.048 0.083 0.000 1.342 406 H CB -0.303 29.508 29.762 0.081 0.000 1.389 406 H HN 0.238 nan 8.280 nan 0.000 0.511 407 F N -0.002 119.913 119.950 -0.059 0.000 2.102 407 F HA -0.164 4.363 4.527 -0.001 0.000 0.298 407 F C 2.477 178.200 175.800 -0.129 0.000 1.105 407 F CA 1.474 59.393 58.000 -0.136 0.000 1.239 407 F CB -0.897 38.026 39.000 -0.128 0.000 0.991 407 F HN 0.131 nan 8.300 nan 0.000 0.474 408 V N 1.059 120.861 119.914 -0.188 0.000 2.407 408 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 408 V C 2.176 178.128 176.094 -0.236 0.000 1.055 408 V CA 2.492 64.581 62.300 -0.352 0.000 1.049 408 V CB -0.634 30.887 31.823 -0.504 0.000 0.662 408 V HN 0.439 nan 8.190 nan 0.000 0.455 409 N N -0.071 118.570 118.700 -0.099 0.000 2.188 409 N HA -0.105 4.635 4.740 -0.001 0.000 0.184 409 N C 1.813 177.301 175.510 -0.036 0.000 1.018 409 N CA 1.139 54.222 53.050 0.056 0.000 0.858 409 N CB -0.210 38.343 38.487 0.110 0.000 0.989 409 N HN 0.416 nan 8.380 nan 0.000 0.426 410 K N 0.590 120.881 120.400 -0.181 0.000 2.057 410 K HA -0.114 4.206 4.320 -0.001 0.000 0.206 410 K C 1.949 178.532 176.600 -0.027 0.000 1.050 410 K CA 0.687 56.903 56.287 -0.119 0.000 0.935 410 K CB -0.791 31.570 32.500 -0.231 0.000 0.715 410 K HN 0.291 nan 8.250 nan 0.000 0.439 411 Y N 2.279 122.331 120.300 -0.412 0.000 2.145 411 Y HA -0.230 4.319 4.550 -0.001 0.000 0.286 411 Y C 2.264 178.156 175.900 -0.013 0.000 1.145 411 Y CA 2.022 59.870 58.100 -0.420 0.000 1.148 411 Y CB -0.414 37.468 38.460 -0.962 0.000 0.981 411 Y HN 0.036 nan 8.280 nan 0.000 0.507 412 T N -0.575 114.028 114.554 0.081 0.000 2.803 412 T HA -0.257 4.092 4.350 -0.001 0.000 0.269 412 T C 2.012 176.724 174.700 0.021 0.000 1.052 412 T CA 1.679 63.859 62.100 0.134 0.000 1.136 412 T CB -0.362 68.681 68.868 0.292 0.000 0.864 412 T HN 0.211 nan 8.240 nan 0.000 0.467 413 K N 0.384 120.765 120.400 -0.031 0.000 2.147 413 K HA -0.020 4.300 4.320 -0.001 0.000 0.205 413 K C 1.527 177.892 176.600 -0.391 0.000 1.049 413 K CA 1.051 57.201 56.287 -0.227 0.000 0.936 413 K CB -0.672 31.631 32.500 -0.329 0.000 0.722 413 K HN 0.647 nan 8.250 nan 0.000 0.446 414 F N -0.515 119.369 119.950 -0.109 0.000 2.724 414 F HA 0.410 4.936 4.527 -0.001 0.000 0.306 414 F C 1.606 177.284 175.800 -0.203 0.000 1.100 414 F CA -0.117 57.780 58.000 -0.172 0.000 1.255 414 F CB 0.062 38.891 39.000 -0.286 0.000 1.072 414 F HN 0.269 nan 8.300 nan 0.000 0.589 415 G N -0.112 108.624 108.800 -0.108 0.000 2.611 415 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.273 415 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.273 415 G C 0.364 175.314 174.900 0.082 0.000 1.305 415 G CA -0.335 44.723 45.100 -0.070 0.000 1.010 415 G HN 0.257 nan 8.290 nan 0.000 0.509 416 N N -0.476 118.328 118.700 0.173 0.000 2.235 416 N HA 0.280 5.020 4.740 -0.001 0.000 0.231 416 N C 0.236 175.831 175.510 0.141 0.000 1.177 416 N CA 0.493 53.619 53.050 0.126 0.000 0.874 416 N CB 0.430 38.982 38.487 0.108 0.000 1.097 416 N HN 0.901 nan 8.380 nan 0.000 0.518 417 G N 0.558 109.458 108.800 0.166 0.000 2.380 417 G HA2 -0.000 3.959 3.960 -0.001 0.000 0.250 417 G HA3 -0.000 3.959 3.960 -0.001 0.000 0.250 417 G C -1.292 173.666 174.900 0.098 0.000 1.578 417 G CA -0.763 44.398 45.100 0.102 0.000 0.974 417 G HN 0.025 nan 8.290 nan 0.000 0.680 418 T N 1.596 116.083 114.554 -0.111 0.000 2.861 418 T HA 0.688 5.037 4.350 -0.001 0.000 0.287 418 T C -1.232 173.192 174.700 -0.460 0.000 1.003 418 T CA -0.362 61.661 62.100 -0.129 0.000 0.977 418 T CB 1.391 70.273 68.868 0.023 0.000 0.996 418 T HN 0.437 nan 8.240 nan 0.000 0.448 419 Y N 1.995 122.201 120.300 -0.157 0.000 2.326 419 Y HA 0.626 5.175 4.550 -0.001 0.000 0.329 419 Y C -0.530 175.391 175.900 0.036 0.000 0.973 419 Y CA -1.096 56.856 58.100 -0.247 0.000 1.162 419 Y CB 1.495 39.351 38.460 -1.006 0.000 1.147 419 Y HN 0.447 nan 8.280 nan 0.000 0.456 420 L N 6.058 127.610 121.223 0.550 0.000 2.329 420 L HA 0.627 4.967 4.340 -0.001 0.000 0.279 420 L C -1.191 176.108 176.870 0.716 0.000 1.014 420 L CA -0.880 54.225 54.840 0.443 0.000 0.814 420 L CB 0.631 42.813 42.059 0.204 0.000 1.257 420 L HN 0.532 nan 8.230 nan 0.000 0.424 421 Y N 3.295 123.892 120.300 0.496 0.000 2.602 421 Y HA 0.749 5.299 4.550 -0.001 0.000 0.342 421 Y C -1.768 174.379 175.900 0.411 0.000 1.029 421 Y CA -2.155 56.170 58.100 0.375 0.000 1.080 421 Y CB 1.298 39.920 38.460 0.269 0.000 1.284 421 Y HN 0.528 nan 8.280 nan 0.000 0.485 422 F N 3.727 124.012 119.950 0.557 0.000 2.659 422 F HA 0.474 5.001 4.527 -0.001 0.000 0.342 422 F C -2.061 174.053 175.800 0.524 0.000 1.168 422 F CA -1.764 56.491 58.000 0.424 0.000 1.003 422 F CB 0.824 40.031 39.000 0.344 0.000 1.267 422 F HN 0.561 nan 8.300 nan 0.000 0.463 423 F N 8.116 128.136 119.950 0.116 0.000 2.421 423 F HA 0.327 4.854 4.527 -0.001 0.000 0.358 423 F C 0.167 175.815 175.800 -0.253 0.000 1.115 423 F CA -0.313 57.692 58.000 0.007 0.000 1.160 423 F CB 0.622 39.686 39.000 0.107 0.000 1.123 423 F HN 0.542 nan 8.300 nan 0.000 0.508 424 N N 3.445 121.757 118.700 -0.646 0.000 2.517 424 N HA 0.078 4.817 4.740 -0.001 0.000 0.285 424 N C -1.211 174.027 175.510 -0.454 0.000 1.528 424 N CA -0.474 52.291 53.050 -0.475 0.000 0.892 424 N CB -0.690 37.694 38.487 -0.173 0.000 1.356 424 N HN 0.625 nan 8.380 nan 0.000 0.495 425 H N 0.728 119.220 119.070 -0.962 0.000 2.488 425 H HA 0.539 5.095 4.556 -0.001 0.000 0.322 425 H C -0.407 174.729 175.328 -0.320 0.000 1.078 425 H CA -0.588 55.093 56.048 -0.611 0.000 1.260 425 H CB 1.088 30.401 29.762 -0.747 0.000 1.425 425 H HN 0.128 nan 8.280 nan 0.000 0.471 426 R N 4.100 124.153 120.500 -0.745 0.000 2.207 426 R HA 0.523 4.862 4.340 -0.001 0.000 0.334 426 R C -0.889 175.145 176.300 -0.444 0.000 1.013 426 R CA -0.349 55.527 56.100 -0.373 0.000 0.858 426 R CB 0.160 30.329 30.300 -0.218 0.000 1.094 426 R HN 0.729 nan 8.270 nan 0.000 0.457 427 A N 3.496 126.338 122.820 0.038 0.000 2.546 427 A HA 0.107 4.426 4.320 -0.001 0.000 0.243 427 A C 1.207 178.873 177.584 0.136 0.000 1.063 427 A CA 0.478 52.708 52.037 0.321 0.000 0.757 427 A CB 0.031 19.365 19.000 0.557 0.000 0.991 427 A HN 1.071 nan 8.150 nan 0.000 0.503 428 S N 1.775 117.585 115.700 0.184 0.000 2.419 428 S HA -0.183 4.286 4.470 -0.001 0.000 0.233 428 S C 0.898 175.491 174.600 -0.012 0.000 1.016 428 S CA 1.272 59.518 58.200 0.076 0.000 0.974 428 S CB -0.445 62.824 63.200 0.113 0.000 0.786 428 S HN 0.932 nan 8.310 nan 0.000 0.492 429 N N 0.768 119.418 118.700 -0.084 0.000 2.273 429 N HA 0.212 4.951 4.740 -0.001 0.000 0.231 429 N C -0.036 175.407 175.510 -0.113 0.000 1.134 429 N CA -0.397 52.556 53.050 -0.162 0.000 0.856 429 N CB -0.358 37.913 38.487 -0.360 0.000 1.068 429 N HN 0.324 nan 8.380 nan 0.000 0.510 430 L N 1.896 123.103 121.223 -0.027 0.000 2.499 430 L HA 0.003 4.343 4.340 -0.001 0.000 0.273 430 L C 1.342 178.191 176.870 -0.036 0.000 1.195 430 L CA 0.298 55.142 54.840 0.007 0.000 0.882 430 L CB 1.084 43.167 42.059 0.040 0.000 1.133 430 L HN 0.178 nan 8.230 nan 0.000 0.483 431 V N 1.239 121.097 119.914 -0.093 0.000 3.608 431 V HA 0.052 4.171 4.120 -0.001 0.000 0.269 431 V C 0.596 176.675 176.094 -0.025 0.000 1.245 431 V CA -0.479 61.748 62.300 -0.122 0.000 1.138 431 V CB -0.773 30.866 31.823 -0.307 0.000 0.841 431 V HN 0.636 nan 8.190 nan 0.000 0.451 432 W N 2.061 123.366 121.300 0.008 0.000 2.237 432 W HA 0.508 5.168 4.660 -0.001 0.000 0.335 432 W C -1.710 174.709 176.519 -0.167 0.000 1.230 432 W CA -2.151 55.159 57.345 -0.058 0.000 1.253 432 W CB 0.084 29.427 29.460 -0.195 0.000 1.129 432 W HN -0.004 nan 8.180 nan 0.000 0.590 433 P HA -0.069 nan 4.420 nan 0.000 0.270 433 P C 0.255 177.469 177.300 -0.143 0.000 1.223 433 P CA 0.279 63.338 63.100 -0.069 0.000 0.785 433 P CB 1.169 32.838 31.700 -0.052 0.000 0.923 434 E N 1.908 122.099 120.200 -0.015 0.000 2.130 434 E HA -0.181 4.169 4.350 -0.001 0.000 0.196 434 E C 1.739 178.375 176.600 0.060 0.000 0.998 434 E CA 1.806 58.221 56.400 0.025 0.000 0.806 434 E CB -0.724 29.023 29.700 0.079 0.000 0.738 434 E HN 0.644 nan 8.360 nan 0.000 0.459 435 W N -0.519 120.826 121.300 0.075 0.000 2.421 435 W HA -0.148 4.512 4.660 -0.001 0.000 0.270 435 W C 1.302 177.884 176.519 0.105 0.000 1.233 435 W CA 0.565 57.963 57.345 0.088 0.000 1.226 435 W CB -0.781 28.736 29.460 0.095 0.000 1.121 435 W HN 0.080 nan 8.180 nan 0.000 0.579 436 M N 1.229 120.511 119.600 -0.530 0.000 2.394 436 M HA 0.103 4.583 4.480 -0.001 0.000 0.264 436 M C 1.832 178.046 176.300 -0.143 0.000 1.073 436 M CA 1.750 56.724 55.300 -0.542 0.000 1.111 436 M CB -0.672 31.426 32.600 -0.837 0.000 1.401 436 M HN 0.193 nan 8.290 nan 0.000 0.448 437 G N 0.398 109.160 108.800 -0.064 0.000 2.556 437 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.283 437 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.283 437 G C -0.189 174.708 174.900 -0.004 0.000 1.177 437 G CA -0.209 44.892 45.100 0.003 0.000 0.978 437 G HN 0.211 nan 8.290 nan 0.000 0.554 438 V N 1.986 121.925 119.914 0.042 0.000 2.270 438 V HA 0.444 4.563 4.120 -0.001 0.000 0.263 438 V C 0.933 177.129 176.094 0.169 0.000 1.066 438 V CA -0.218 62.146 62.300 0.107 0.000 0.857 438 V CB 0.354 32.212 31.823 0.059 0.000 1.099 438 V HN 0.543 nan 8.190 nan 0.000 0.476 439 I N 2.850 123.518 120.570 0.163 0.000 2.696 439 I HA 0.154 4.324 4.170 -0.001 0.000 0.284 439 I C 0.887 177.228 176.117 0.373 0.000 1.129 439 I CA -0.497 60.915 61.300 0.186 0.000 1.410 439 I CB 0.256 38.220 38.000 -0.059 0.000 1.399 439 I HN 0.548 nan 8.210 nan 0.000 0.579 440 H N 4.134 123.302 119.070 0.164 0.000 3.125 440 H HA 0.144 4.699 4.556 -0.001 0.000 0.310 440 H C 0.986 176.330 175.328 0.027 0.000 0.980 440 H CA 1.073 57.183 56.048 0.104 0.000 1.422 440 H CB 0.158 29.965 29.762 0.074 0.000 1.432 440 H HN 0.755 nan 8.280 nan 0.000 0.577 441 G N 3.591 112.261 108.800 -0.217 0.000 2.213 441 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.236 441 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.236 441 G C 0.655 175.461 174.900 -0.157 0.000 0.991 441 G CA 0.381 45.318 45.100 -0.272 0.000 0.629 441 G HN 0.629 nan 8.290 nan 0.000 0.517 442 Y N 1.574 121.990 120.300 0.192 0.000 2.471 442 Y HA 0.230 4.780 4.550 -0.001 0.000 0.286 442 Y C 2.338 178.371 175.900 0.221 0.000 1.188 442 Y CA 1.021 59.288 58.100 0.278 0.000 1.286 442 Y CB 0.407 39.062 38.460 0.325 0.000 1.072 442 Y HN 0.498 nan 8.280 nan 0.000 0.517 443 E N 0.145 120.312 120.200 -0.056 0.000 2.400 443 E HA -0.054 4.296 4.350 -0.001 0.000 0.195 443 E C 1.638 178.149 176.600 -0.149 0.000 1.012 443 E CA 0.569 56.624 56.400 -0.575 0.000 0.875 443 E CB -0.460 28.551 29.700 -1.149 0.000 0.859 443 E HN 0.517 nan 8.360 nan 0.000 0.498 444 I N 2.817 123.392 120.570 0.008 0.000 2.118 444 I HA -0.335 3.834 4.170 -0.001 0.000 0.241 444 I C 2.708 178.854 176.117 0.049 0.000 1.070 444 I CA 2.258 63.617 61.300 0.099 0.000 1.327 444 I CB -0.542 37.573 38.000 0.193 0.000 1.034 444 I HN 0.227 nan 8.210 nan 0.000 0.405 445 E N 0.996 121.170 120.200 -0.043 0.000 2.171 445 E HA -0.267 4.083 4.350 -0.001 0.000 0.197 445 E C 2.083 178.481 176.600 -0.338 0.000 0.997 445 E CA 1.691 57.985 56.400 -0.176 0.000 0.810 445 E CB -0.625 28.975 29.700 -0.167 0.000 0.738 445 E HN 0.452 nan 8.360 nan 0.000 0.467 446 F N 1.083 120.926 119.950 -0.179 0.000 2.234 446 F HA -0.047 4.479 4.527 -0.001 0.000 0.296 446 F C 2.433 178.046 175.800 -0.313 0.000 1.089 446 F CA 0.691 58.545 58.000 -0.244 0.000 1.343 446 F CB -0.163 38.727 39.000 -0.183 0.000 1.040 446 F HN -0.130 nan 8.300 nan 0.000 0.498 447 V N -1.066 118.734 119.914 -0.191 0.000 2.427 447 V HA -0.269 3.851 4.120 -0.001 0.000 0.248 447 V C 1.674 177.557 176.094 -0.351 0.000 1.051 447 V CA 1.566 63.621 62.300 -0.408 0.000 1.048 447 V CB -0.636 30.984 31.823 -0.339 0.000 0.666 447 V HN 0.190 nan 8.190 nan 0.000 0.456 448 F N 0.620 120.416 119.950 -0.256 0.000 2.773 448 F HA 0.381 4.908 4.527 -0.001 0.000 0.304 448 F C 1.818 177.506 175.800 -0.187 0.000 1.129 448 F CA 0.607 58.486 58.000 -0.203 0.000 1.378 448 F CB -0.426 38.439 39.000 -0.226 0.000 1.095 448 F HN 0.268 nan 8.300 nan 0.000 0.565 449 G N 0.152 108.840 108.800 -0.187 0.000 2.179 449 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.257 449 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.257 449 G C 1.182 175.754 174.900 -0.547 0.000 1.010 449 G CA 0.391 45.308 45.100 -0.304 0.000 0.736 449 G HN 0.283 nan 8.290 nan 0.000 0.513 450 L N -0.234 120.642 121.223 -0.578 0.000 2.127 450 L HA -0.071 4.269 4.340 -0.001 0.000 0.211 450 L C 0.204 176.628 176.870 -0.743 0.000 1.089 450 L CA 2.507 56.956 54.840 -0.651 0.000 0.757 450 L CB -1.902 39.907 42.059 -0.417 0.000 0.899 450 L HN 0.201 nan 8.230 nan 0.000 0.434 451 P HA -0.099 nan 4.420 nan 0.000 0.231 451 P C 1.767 178.793 177.300 -0.457 0.000 1.158 451 P CA 0.865 63.308 63.100 -1.094 0.000 0.763 451 P CB 0.053 31.020 31.700 -1.222 0.000 0.805 452 L N -1.735 119.230 121.223 -0.430 0.000 2.509 452 L HA 0.074 4.414 4.340 -0.001 0.000 0.222 452 L C 1.028 177.763 176.870 -0.224 0.000 1.123 452 L CA 0.137 54.817 54.840 -0.266 0.000 0.856 452 L CB -0.274 41.656 42.059 -0.215 0.000 0.985 452 L HN -0.098 nan 8.230 nan 0.000 0.456 453 V N -1.264 118.479 119.914 -0.285 0.000 2.364 453 V HA 0.238 4.358 4.120 -0.001 0.000 0.272 453 V C 1.167 177.214 176.094 -0.078 0.000 1.036 453 V CA -0.596 61.598 62.300 -0.177 0.000 0.880 453 V CB 1.630 33.323 31.823 -0.216 0.000 0.991 453 V HN 0.065 nan 8.190 nan 0.000 0.460 454 K N 4.203 124.573 120.400 -0.050 0.000 2.034 454 K HA -0.176 4.144 4.320 -0.001 0.000 0.214 454 K C 1.707 178.294 176.600 -0.021 0.000 1.051 454 K CA 2.425 58.698 56.287 -0.023 0.000 0.931 454 K CB -0.379 32.107 32.500 -0.023 0.000 0.715 454 K HN 0.923 nan 8.250 nan 0.000 0.446 455 E N 0.286 120.466 120.200 -0.032 0.000 2.333 455 E HA -0.148 4.202 4.350 -0.001 0.000 0.200 455 E C 1.501 178.072 176.600 -0.049 0.000 1.010 455 E CA 0.726 57.102 56.400 -0.039 0.000 0.841 455 E CB -0.235 29.441 29.700 -0.040 0.000 0.757 455 E HN 0.257 nan 8.360 nan 0.000 0.508 456 L N -0.028 121.177 121.223 -0.030 0.000 2.554 456 L HA 0.062 4.402 4.340 -0.001 0.000 0.226 456 L C -0.156 176.632 176.870 -0.135 0.000 1.137 456 L CA 0.243 55.058 54.840 -0.042 0.000 0.863 456 L CB -0.593 41.517 42.059 0.086 0.000 0.985 456 L HN 0.246 nan 8.230 nan 0.000 0.451 457 N N -1.556 117.102 118.700 -0.069 0.000 2.783 457 N HA -0.213 4.527 4.740 -0.001 0.000 0.247 457 N C -0.764 174.654 175.510 -0.154 0.000 1.089 457 N CA 0.057 53.041 53.050 -0.109 0.000 0.690 457 N CB -1.166 37.226 38.487 -0.159 0.000 0.991 457 N HN 0.240 nan 8.380 nan 0.000 0.552 458 Y N 0.421 120.691 120.300 -0.049 0.000 2.458 458 Y HA 0.376 4.926 4.550 -0.001 0.000 0.322 458 Y C 1.632 177.537 175.900 0.008 0.000 1.259 458 Y CA -0.274 57.819 58.100 -0.011 0.000 1.302 458 Y CB 0.670 39.100 38.460 -0.050 0.000 1.314 458 Y HN 0.041 nan 8.280 nan 0.000 0.509 459 T N -1.933 112.755 114.554 0.224 0.000 2.828 459 T HA 0.396 4.746 4.350 -0.001 0.000 0.290 459 T C 1.161 175.925 174.700 0.107 0.000 1.019 459 T CA -0.243 61.937 62.100 0.133 0.000 1.031 459 T CB 1.156 70.103 68.868 0.132 0.000 1.001 459 T HN 0.764 nan 8.240 nan 0.000 0.531 460 A N 0.983 123.840 122.820 0.061 0.000 1.972 460 A HA -0.074 4.246 4.320 -0.001 0.000 0.219 460 A C 2.303 179.903 177.584 0.027 0.000 1.169 460 A CA 1.226 53.283 52.037 0.034 0.000 0.635 460 A CB -0.689 18.323 19.000 0.020 0.000 0.810 460 A HN 0.933 nan 8.150 nan 0.000 0.446 461 E N 0.600 120.821 120.200 0.036 0.000 2.152 461 E HA -0.177 4.173 4.350 -0.001 0.000 0.192 461 E C 1.435 178.038 176.600 0.006 0.000 0.983 461 E CA 1.174 57.580 56.400 0.009 0.000 0.818 461 E CB -0.581 29.121 29.700 0.003 0.000 0.758 461 E HN 0.783 nan 8.360 nan 0.000 0.467 462 E N 1.160 121.406 120.200 0.077 0.000 2.106 462 E HA -0.179 4.171 4.350 -0.001 0.000 0.192 462 E C 2.110 178.775 176.600 0.109 0.000 0.984 462 E CA 1.088 57.606 56.400 0.198 0.000 0.806 462 E CB -0.042 29.916 29.700 0.430 0.000 0.750 462 E HN 0.452 nan 8.360 nan 0.000 0.458 463 E N 1.086 121.289 120.200 0.005 0.000 2.077 463 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 463 E C 2.026 178.594 176.600 -0.054 0.000 0.989 463 E CA 1.122 57.472 56.400 -0.082 0.000 0.800 463 E CB -0.083 29.578 29.700 -0.065 0.000 0.746 463 E HN 0.191 nan 8.360 nan 0.000 0.452 464 A N 1.092 123.896 122.820 -0.027 0.000 1.930 464 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 464 A C 2.172 179.735 177.584 -0.035 0.000 1.175 464 A CA 1.308 53.322 52.037 -0.037 0.000 0.627 464 A CB -0.671 18.309 19.000 -0.033 0.000 0.815 464 A HN 0.419 nan 8.150 nan 0.000 0.443 465 L N -0.150 121.069 121.223 -0.006 0.000 2.017 465 L HA -0.100 4.239 4.340 -0.001 0.000 0.208 465 L C 2.541 179.451 176.870 0.067 0.000 1.073 465 L CA 2.649 57.490 54.840 0.001 0.000 0.745 465 L CB -0.933 41.086 42.059 -0.067 0.000 0.894 465 L HN 0.336 nan 8.230 nan 0.000 0.432 466 S N -0.584 115.208 115.700 0.152 0.000 2.359 466 S HA -0.241 4.229 4.470 -0.001 0.000 0.224 466 S C 2.205 176.760 174.600 -0.075 0.000 1.035 466 S CA 1.584 59.811 58.200 0.045 0.000 1.018 466 S CB -0.261 62.830 63.200 -0.181 0.000 0.876 466 S HN 0.561 nan 8.310 nan 0.000 0.448 467 R N 0.604 121.054 120.500 -0.082 0.000 2.096 467 R HA -0.029 4.310 4.340 -0.001 0.000 0.235 467 R C 2.638 178.880 176.300 -0.097 0.000 1.127 467 R CA 1.701 57.748 56.100 -0.088 0.000 0.968 467 R CB -0.267 29.981 30.300 -0.087 0.000 0.861 467 R HN 0.553 nan 8.270 nan 0.000 0.440 468 R N 0.194 120.614 120.500 -0.133 0.000 2.115 468 R HA -0.014 4.326 4.340 -0.001 0.000 0.226 468 R C 2.142 178.265 176.300 -0.294 0.000 1.100 468 R CA 1.066 57.003 56.100 -0.272 0.000 0.980 468 R CB -0.438 29.644 30.300 -0.364 0.000 0.875 468 R HN 0.222 nan 8.270 nan 0.000 0.445 469 I N 1.431 121.926 120.570 -0.125 0.000 2.202 469 I HA -0.233 3.937 4.170 -0.001 0.000 0.242 469 I C 2.613 178.642 176.117 -0.146 0.000 1.091 469 I CA 1.417 62.655 61.300 -0.103 0.000 1.368 469 I CB -0.202 37.602 38.000 -0.326 0.000 1.058 469 I HN 0.119 nan 8.210 nan 0.000 0.410 470 M N -0.574 118.923 119.600 -0.172 0.000 2.108 470 M HA -0.274 4.206 4.480 -0.001 0.000 0.261 470 M C 2.420 178.756 176.300 0.060 0.000 1.066 470 M CA 1.827 57.058 55.300 -0.115 0.000 1.107 470 M CB -0.795 31.740 32.600 -0.109 0.000 1.356 470 M HN 0.284 nan 8.290 nan 0.000 0.406 471 H N -0.434 118.618 119.070 -0.029 0.000 2.395 471 H HA -0.116 4.440 4.556 -0.001 0.000 0.299 471 H C 1.564 176.997 175.328 0.174 0.000 1.070 471 H CA 1.737 57.794 56.048 0.015 0.000 1.356 471 H CB 0.009 29.730 29.762 -0.069 0.000 1.401 471 H HN 0.260 nan 8.280 nan 0.000 0.524 472 Y N -0.809 119.617 120.300 0.210 0.000 2.145 472 Y HA -0.244 4.305 4.550 -0.001 0.000 0.286 472 Y C 2.533 178.630 175.900 0.328 0.000 1.145 472 Y CA 1.142 59.419 58.100 0.296 0.000 1.148 472 Y CB -1.051 37.789 38.460 0.633 0.000 0.981 472 Y HN 0.354 nan 8.280 nan 0.000 0.507 473 W N -0.581 120.818 121.300 0.166 0.000 2.335 473 W HA -0.230 4.430 4.660 -0.000 0.000 0.311 473 W C 2.525 179.032 176.519 -0.019 0.000 1.213 473 W CA 1.044 58.414 57.345 0.041 0.000 1.274 473 W CB -0.382 29.040 29.460 -0.064 0.000 1.148 473 W HN 0.054 nan 8.180 nan 0.000 0.498 474 A N -0.355 122.559 122.820 0.156 0.000 1.968 474 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 474 A C 1.790 179.346 177.584 -0.047 0.000 1.169 474 A CA 1.895 53.939 52.037 0.013 0.000 0.638 474 A CB -1.011 17.984 19.000 -0.008 0.000 0.812 474 A HN 0.167 nan 8.150 nan 0.000 0.446 475 T N -0.792 113.694 114.554 -0.113 0.000 2.857 475 T HA -0.074 4.275 4.350 -0.001 0.000 0.266 475 T C 1.576 176.230 174.700 -0.076 0.000 1.048 475 T CA 1.404 63.410 62.100 -0.157 0.000 1.139 475 T CB -0.351 68.367 68.868 -0.251 0.000 0.874 475 T HN 0.513 nan 8.240 nan 0.000 0.455 476 F N 2.383 122.236 119.950 -0.162 0.000 2.146 476 F HA 0.065 4.591 4.527 -0.001 0.000 0.298 476 F C 2.399 178.116 175.800 -0.138 0.000 1.096 476 F CA 0.909 58.780 58.000 -0.214 0.000 1.275 476 F CB -0.605 38.207 39.000 -0.314 0.000 1.008 476 F HN 0.131 nan 8.300 nan 0.000 0.480 477 A N 0.300 123.049 122.820 -0.118 0.000 1.933 477 A HA -0.241 4.078 4.320 -0.001 0.000 0.218 477 A C 2.286 179.741 177.584 -0.214 0.000 1.175 477 A CA 1.978 53.906 52.037 -0.183 0.000 0.628 477 A CB -0.841 18.122 19.000 -0.062 0.000 0.814 477 A HN 0.510 nan 8.150 nan 0.000 0.444 478 K N -0.838 119.467 120.400 -0.157 0.000 2.062 478 K HA -0.109 4.210 4.320 -0.001 0.000 0.205 478 K C 1.874 178.384 176.600 -0.150 0.000 1.051 478 K CA 1.942 58.155 56.287 -0.122 0.000 0.941 478 K CB -0.125 32.328 32.500 -0.079 0.000 0.719 478 K HN 0.590 nan 8.250 nan 0.000 0.440 479 T N -4.817 109.621 114.554 -0.194 0.000 2.971 479 T HA 0.263 4.613 4.350 -0.001 0.000 0.252 479 T C 1.164 175.720 174.700 -0.239 0.000 1.022 479 T CA 0.420 62.416 62.100 -0.172 0.000 0.980 479 T CB 0.848 69.654 68.868 -0.104 0.000 1.044 479 T HN 0.342 nan 8.240 nan 0.000 0.501 480 G N 1.489 109.998 108.800 -0.484 0.000 2.141 480 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.242 480 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.242 480 G C -0.191 174.611 174.900 -0.162 0.000 0.982 480 G CA 0.025 44.787 45.100 -0.564 0.000 0.662 480 G HN 0.873 nan 8.290 nan 0.000 0.527 481 N N -0.382 118.230 118.700 -0.147 0.000 2.503 481 N HA 0.404 5.143 4.740 -0.001 0.000 0.287 481 N C -1.633 173.734 175.510 -0.239 0.000 1.096 481 N CA -1.341 51.594 53.050 -0.192 0.000 0.936 481 N CB 2.338 40.799 38.487 -0.043 0.000 1.570 481 N HN -0.065 nan 8.380 nan 0.000 0.504 482 P HA -0.057 nan 4.420 nan 0.000 0.226 482 P C -0.447 176.882 177.300 0.047 0.000 1.153 482 P CA 0.613 63.589 63.100 -0.207 0.000 0.777 482 P CB 0.296 31.667 31.700 -0.549 0.000 0.794 483 N N 1.659 120.349 118.700 -0.017 0.000 2.520 483 N HA 0.076 4.816 4.740 -0.001 0.000 0.273 483 N C 0.125 175.702 175.510 0.111 0.000 1.155 483 N CA 0.082 53.216 53.050 0.139 0.000 0.967 483 N CB 0.680 39.248 38.487 0.136 0.000 1.092 483 N HN 0.044 nan 8.380 nan 0.000 0.457 484 E N 3.309 123.607 120.200 0.162 0.000 2.223 484 E HA 0.192 4.541 4.350 -0.001 0.000 0.282 484 E C -1.812 174.855 176.600 0.112 0.000 1.046 484 E CA -1.389 55.097 56.400 0.143 0.000 0.857 484 E CB 0.369 30.196 29.700 0.212 0.000 1.055 484 E HN 0.365 nan 8.360 nan 0.000 0.409 491 K N 2.860 123.371 120.400 0.184 0.000 2.276 491 K HA 0.202 4.522 4.320 -0.001 0.000 0.283 491 K C -0.238 176.543 176.600 0.302 0.000 1.044 491 K CA -0.404 56.028 56.287 0.240 0.000 0.944 491 K CB 0.407 33.026 32.500 0.199 0.000 1.012 491 K HN 0.658 nan 8.250 nan 0.000 0.472 492 W N 7.206 128.580 121.300 0.124 0.000 2.437 492 W HA 0.173 4.833 4.660 -0.001 0.000 0.312 492 W C -2.307 174.340 176.519 0.213 0.000 1.242 492 W CA -2.618 54.791 57.345 0.107 0.000 1.340 492 W CB -0.041 29.390 29.460 -0.049 0.000 1.327 492 W HN 0.399 nan 8.180 nan 0.000 0.476 493 P HA 0.031 nan 4.420 nan 0.000 0.274 493 P C -0.475 177.031 177.300 0.343 0.000 1.237 493 P CA -0.492 62.836 63.100 0.379 0.000 0.793 493 P CB 1.525 33.363 31.700 0.230 0.000 0.977 494 L N 2.827 124.119 121.223 0.114 0.000 2.456 494 L HA 0.196 4.536 4.340 -0.001 0.000 0.272 494 L C -0.050 176.808 176.870 -0.020 0.000 1.189 494 L CA -0.157 54.557 54.840 -0.209 0.000 0.846 494 L CB -0.633 41.329 42.059 -0.160 0.000 1.111 494 L HN 0.228 nan 8.230 nan 0.000 0.475 495 F N 4.365 124.210 119.950 -0.175 0.000 2.420 495 F HA 0.522 5.049 4.527 -0.001 0.000 0.352 495 F C 0.209 175.982 175.800 -0.045 0.000 1.108 495 F CA -0.163 57.828 58.000 -0.015 0.000 1.162 495 F CB 0.651 39.670 39.000 0.032 0.000 1.118 495 F HN 0.655 nan 8.300 nan 0.000 0.510 496 T N 1.222 115.496 114.554 -0.466 0.000 2.924 496 T HA 0.288 4.638 4.350 -0.001 0.000 0.291 496 T C 0.852 175.266 174.700 -0.476 0.000 1.045 496 T CA -0.401 61.516 62.100 -0.304 0.000 1.015 496 T CB 1.477 70.240 68.868 -0.175 0.000 1.103 496 T HN 0.551 nan 8.240 nan 0.000 0.496 497 T N 0.947 115.381 114.554 -0.201 0.000 2.720 497 T HA -0.071 4.279 4.350 -0.001 0.000 0.268 497 T C 2.564 177.165 174.700 -0.166 0.000 1.037 497 T CA 2.267 64.285 62.100 -0.137 0.000 1.144 497 T CB -0.758 68.073 68.868 -0.062 0.000 0.864 497 T HN 0.871 nan 8.240 nan 0.000 0.444 498 K N 1.245 121.557 120.400 -0.148 0.000 2.001 498 K HA -0.009 4.311 4.320 -0.001 0.000 0.208 498 K C 2.116 178.638 176.600 -0.131 0.000 1.048 498 K CA 1.687 57.907 56.287 -0.111 0.000 0.932 498 K CB -0.782 31.668 32.500 -0.082 0.000 0.715 498 K HN 0.351 nan 8.250 nan 0.000 0.437 499 E N -0.400 119.693 120.200 -0.177 0.000 2.140 499 E HA 0.046 4.395 4.350 -0.001 0.000 0.191 499 E C 0.059 176.534 176.600 -0.208 0.000 0.973 499 E CA 0.451 56.758 56.400 -0.155 0.000 0.829 499 E CB 0.364 29.990 29.700 -0.123 0.000 0.781 499 E HN 0.546 nan 8.360 nan 0.000 0.466 500 Q N 0.155 119.660 119.800 -0.490 0.000 2.468 500 Q HA -0.231 4.108 4.340 -0.001 0.000 0.289 500 Q C -0.831 175.132 176.000 -0.062 0.000 1.299 500 Q CA 0.575 55.966 55.803 -0.687 0.000 0.838 500 Q CB -1.505 27.084 28.738 -0.248 0.000 1.195 500 Q HN 0.176 nan 8.270 nan 0.000 0.456 501 K N 0.513 120.901 120.400 -0.020 0.000 2.202 501 K HA 0.570 4.890 4.320 -0.001 0.000 0.264 501 K C 0.041 176.957 176.600 0.527 0.000 1.010 501 K CA 0.155 56.559 56.287 0.194 0.000 0.940 501 K CB 0.487 33.044 32.500 0.095 0.000 0.983 501 K HN 0.213 nan 8.250 nan 0.000 0.475 502 F N -0.535 119.589 119.950 0.291 0.000 2.711 502 F HA 0.596 5.122 4.527 -0.001 0.000 0.313 502 F C -1.084 174.825 175.800 0.181 0.000 1.141 502 F CA -1.527 56.674 58.000 0.335 0.000 0.941 502 F CB 0.745 39.949 39.000 0.340 0.000 1.349 502 F HN 0.415 nan 8.300 nan 0.000 0.464 503 I N -0.805 119.899 120.570 0.223 0.000 2.846 503 I HA 0.652 4.821 4.170 -0.001 0.000 0.307 503 I C -1.127 175.130 176.117 0.233 0.000 1.053 503 I CA -0.862 60.405 61.300 -0.055 0.000 1.050 503 I CB 1.953 39.698 38.000 -0.426 0.000 1.239 503 I HN 0.449 nan 8.210 nan 0.000 0.439 504 D N 3.227 123.747 120.400 0.199 0.000 2.283 504 D HA 0.460 5.100 4.640 -0.001 0.000 0.248 504 D C -0.928 175.466 176.300 0.156 0.000 1.072 504 D CA -0.007 54.208 54.000 0.358 0.000 0.929 504 D CB 2.221 43.229 40.800 0.346 0.000 1.182 504 D HN 0.240 nan 8.370 nan 0.000 0.433 505 L N 2.867 124.188 121.223 0.164 0.000 2.353 505 L HA 0.296 4.635 4.340 -0.001 0.000 0.270 505 L C -0.633 176.183 176.870 -0.090 0.000 1.003 505 L CA -0.394 54.493 54.840 0.078 0.000 0.862 505 L CB -0.004 42.170 42.059 0.193 0.000 1.221 505 L HN 0.517 nan 8.230 nan 0.000 0.430 506 N N -0.362 118.284 118.700 -0.090 0.000 3.378 506 N HA 0.273 5.013 4.740 -0.001 0.000 0.294 506 N C 0.349 175.767 175.510 -0.153 0.000 1.544 506 N CA -0.051 52.887 53.050 -0.186 0.000 0.872 506 N CB 0.362 38.789 38.487 -0.100 0.000 1.670 506 N HN 0.069 nan 8.380 nan 0.000 0.551 507 T N -3.784 110.660 114.554 -0.183 0.000 3.148 507 T HA 0.150 4.500 4.350 -0.001 0.000 0.253 507 T C 0.026 174.702 174.700 -0.041 0.000 1.134 507 T CA 0.236 62.253 62.100 -0.138 0.000 1.051 507 T CB -0.474 68.284 68.868 -0.183 0.000 0.959 507 T HN 0.405 nan 8.240 nan 0.000 0.525 508 E N 1.862 122.055 120.200 -0.010 0.000 2.280 508 E HA 0.433 4.782 4.350 -0.001 0.000 0.264 508 E C -2.697 173.911 176.600 0.013 0.000 1.064 508 E CA -1.923 54.485 56.400 0.013 0.000 0.900 508 E CB 0.265 29.985 29.700 0.033 0.000 1.123 508 E HN 0.376 nan 8.360 nan 0.000 0.418 509 P HA 0.030 nan 4.420 nan 0.000 0.268 509 P C 0.053 177.361 177.300 0.013 0.000 1.204 509 P CA 0.145 63.255 63.100 0.017 0.000 0.768 509 P CB 0.230 31.940 31.700 0.016 0.000 0.842 510 M N 3.524 123.136 119.600 0.020 0.000 2.255 510 M HA -0.061 4.419 4.480 -0.001 0.000 0.356 510 M C -0.417 175.853 176.300 -0.051 0.000 1.338 510 M CA 1.232 56.532 55.300 0.001 0.000 0.962 510 M CB -0.037 32.582 32.600 0.033 0.000 1.877 510 M HN 0.249 nan 8.290 nan 0.000 0.463 511 K N 3.979 124.309 120.400 -0.116 0.000 2.316 511 K HA 0.611 4.931 4.320 -0.001 0.000 0.251 511 K C -1.474 174.846 176.600 -0.466 0.000 0.934 511 K CA -0.936 55.189 56.287 -0.270 0.000 0.802 511 K CB 2.553 34.871 32.500 -0.303 0.000 1.171 511 K HN 0.510 nan 8.250 nan 0.000 0.426 512 V N 3.759 123.378 119.914 -0.492 0.000 2.483 512 V HA 0.363 4.482 4.120 -0.001 0.000 0.295 512 V C -0.175 175.493 176.094 -0.710 0.000 1.035 512 V CA -0.589 61.427 62.300 -0.474 0.000 0.896 512 V CB 1.240 32.938 31.823 -0.208 0.000 0.986 512 V HN 0.732 nan 8.190 nan 0.000 0.447 513 H N 2.821 121.528 119.070 -0.605 0.000 2.949 513 H HA 0.653 5.208 4.556 -0.001 0.000 0.310 513 H C -1.132 173.867 175.328 -0.549 0.000 1.405 513 H CA -0.842 54.822 56.048 -0.639 0.000 1.253 513 H CB 2.183 31.395 29.762 -0.916 0.000 1.932 513 H HN 0.557 nan 8.280 nan 0.000 0.602 514 Q N 0.195 119.973 119.800 -0.036 0.000 2.421 514 Q HA 0.382 4.721 4.340 -0.001 0.000 0.280 514 Q C -0.691 175.529 176.000 0.366 0.000 1.085 514 Q CA -0.942 54.967 55.803 0.176 0.000 0.807 514 Q CB 2.925 31.709 28.738 0.076 0.000 1.405 514 Q HN 0.452 nan 8.270 nan 0.000 0.419 515 R N 0.950 121.677 120.500 0.378 0.000 3.079 515 R HA -0.206 4.133 4.340 -0.001 0.000 0.254 515 R C -0.592 175.871 176.300 0.271 0.000 0.900 515 R CA -0.151 56.121 56.100 0.288 0.000 0.641 515 R CB -1.468 28.935 30.300 0.171 0.000 1.307 515 R HN 0.453 nan 8.270 nan 0.000 0.477 516 L N 2.370 123.717 121.223 0.207 0.000 2.660 516 L HA -0.050 4.290 4.340 -0.001 0.000 0.272 516 L C 0.907 177.757 176.870 -0.034 0.000 1.194 516 L CA 0.832 55.569 54.840 -0.171 0.000 0.945 516 L CB -0.222 41.402 42.059 -0.725 0.000 1.212 516 L HN 0.471 nan 8.230 nan 0.000 0.490 517 R N 2.138 122.630 120.500 -0.012 0.000 3.387 517 R HA -0.210 4.130 4.340 -0.001 0.000 0.254 517 R C 1.263 177.629 176.300 0.111 0.000 1.006 517 R CA 0.602 56.735 56.100 0.055 0.000 0.677 517 R CB -1.970 28.378 30.300 0.080 0.000 1.063 517 R HN 0.754 nan 8.270 nan 0.000 0.453 518 V N -2.429 117.551 119.914 0.109 0.000 2.324 518 V HA -0.362 3.758 4.120 -0.001 0.000 0.250 518 V C 2.331 178.502 176.094 0.128 0.000 1.060 518 V CA 2.252 64.628 62.300 0.127 0.000 1.042 518 V CB -0.511 31.379 31.823 0.111 0.000 0.650 518 V HN 0.333 nan 8.190 nan 0.000 0.450 519 Q N -0.210 119.648 119.800 0.095 0.000 2.045 519 Q HA -0.192 4.147 4.340 -0.001 0.000 0.206 519 Q C 2.178 178.240 176.000 0.103 0.000 0.991 519 Q CA 2.263 58.107 55.803 0.069 0.000 0.851 519 Q CB -0.384 28.367 28.738 0.020 0.000 0.911 519 Q HN 0.535 nan 8.270 nan 0.000 0.418 520 M N -1.085 118.600 119.600 0.141 0.000 2.132 520 M HA -0.124 4.356 4.480 -0.001 0.000 0.263 520 M C 2.393 178.967 176.300 0.455 0.000 1.065 520 M CA 0.943 56.399 55.300 0.259 0.000 1.122 520 M CB -1.233 31.578 32.600 0.351 0.000 1.365 520 M HN 0.335 nan 8.290 nan 0.000 0.411 521 c N -0.320 118.503 118.600 0.372 0.000 2.432 521 c HA -0.039 4.531 4.570 -0.001 0.000 0.280 521 c C 2.934 177.214 174.090 0.318 0.000 1.353 521 c CA 0.263 56.824 56.329 0.387 0.000 1.766 521 c CB -0.961 41.712 42.510 0.272 0.000 1.924 521 c HN 0.321 nan 8.230 nan 0.000 0.509 522 V N 0.509 120.571 119.914 0.247 0.000 2.515 522 V HA -0.215 3.904 4.120 -0.001 0.000 0.250 522 V C 2.019 178.246 176.094 0.220 0.000 1.058 522 V CA 2.113 64.532 62.300 0.198 0.000 1.064 522 V CB -0.761 31.151 31.823 0.147 0.000 0.675 522 V HN 0.591 nan 8.190 nan 0.000 0.461 523 F N -0.112 119.883 119.950 0.075 0.000 2.084 523 F HA -0.181 4.346 4.527 -0.001 0.000 0.296 523 F C 2.000 177.787 175.800 -0.021 0.000 1.111 523 F CA 1.738 59.735 58.000 -0.004 0.000 1.224 523 F CB -0.382 38.501 39.000 -0.194 0.000 0.991 523 F HN 0.157 nan 8.300 nan 0.000 0.471 524 W N 0.669 122.120 121.300 0.251 0.000 2.388 524 W HA -0.122 4.538 4.660 -0.001 0.000 0.294 524 W C 2.039 178.551 176.519 -0.012 0.000 1.212 524 W CA 0.924 58.326 57.345 0.096 0.000 1.271 524 W CB -0.450 29.172 29.460 0.270 0.000 1.126 524 W HN -0.006 nan 8.180 nan 0.000 0.535 525 N N -0.868 117.961 118.700 0.215 0.000 2.405 525 N HA -0.011 4.728 4.740 -0.001 0.000 0.175 525 N C 1.327 176.833 175.510 -0.007 0.000 1.051 525 N CA 0.914 53.995 53.050 0.052 0.000 0.899 525 N CB -0.025 38.499 38.487 0.061 0.000 1.000 525 N HN 0.372 nan 8.380 nan 0.000 0.451 526 Q N -1.288 118.530 119.800 0.030 0.000 2.620 526 Q HA 0.214 4.554 4.340 -0.001 0.000 0.232 526 Q C 1.162 177.155 176.000 -0.012 0.000 0.836 526 Q CA -0.203 55.615 55.803 0.024 0.000 0.938 526 Q CB 0.086 28.876 28.738 0.086 0.000 1.242 526 Q HN 0.096 nan 8.270 nan 0.000 0.624 527 F N 2.021 121.879 119.950 -0.154 0.000 2.060 527 F HA -0.175 4.351 4.527 -0.001 0.000 0.295 527 F C 1.983 177.583 175.800 -0.334 0.000 1.120 527 F CA 1.128 58.998 58.000 -0.216 0.000 1.205 527 F CB -0.290 38.592 39.000 -0.196 0.000 0.986 527 F HN 0.052 nan 8.300 nan 0.000 0.470 528 L N 1.095 121.893 121.223 -0.710 0.000 2.042 528 L HA -0.085 4.255 4.340 -0.001 0.000 0.210 528 L C -0.898 175.690 176.870 -0.470 0.000 1.076 528 L CA 2.133 56.506 54.840 -0.778 0.000 0.749 528 L CB -1.899 39.590 42.059 -0.949 0.000 0.893 528 L HN 0.010 nan 8.230 nan 0.000 0.432 529 P HA -0.185 nan 4.420 nan 0.000 0.217 529 P C 1.481 178.651 177.300 -0.216 0.000 1.150 529 P CA 1.489 64.481 63.100 -0.180 0.000 0.832 529 P CB -0.023 31.610 31.700 -0.113 0.000 0.787 530 K N -0.282 119.955 120.400 -0.271 0.000 2.026 530 K HA -0.152 4.168 4.320 -0.001 0.000 0.208 530 K C 1.932 178.342 176.600 -0.317 0.000 1.048 530 K CA 1.104 57.242 56.287 -0.250 0.000 0.929 530 K CB -0.822 31.545 32.500 -0.223 0.000 0.713 530 K HN -0.067 nan 8.250 nan 0.000 0.439 531 L N 1.707 122.612 121.223 -0.530 0.000 1.989 531 L HA -0.165 4.174 4.340 -0.001 0.000 0.211 531 L C 1.821 178.529 176.870 -0.269 0.000 1.071 531 L CA 1.746 56.301 54.840 -0.476 0.000 0.749 531 L CB -1.097 40.529 42.059 -0.722 0.000 0.890 531 L HN 0.302 nan 8.230 nan 0.000 0.431 532 L N -0.030 121.047 121.223 -0.244 0.000 2.131 532 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 532 L C 2.328 179.133 176.870 -0.108 0.000 1.092 532 L CA 1.463 56.212 54.840 -0.151 0.000 0.759 532 L CB -0.657 41.331 42.059 -0.118 0.000 0.903 532 L HN 0.429 nan 8.230 nan 0.000 0.435 533 N N 0.201 118.831 118.700 -0.115 0.000 2.270 533 N HA -0.114 4.625 4.740 -0.001 0.000 0.181 533 N C 1.698 177.164 175.510 -0.073 0.000 1.016 533 N CA 1.194 54.195 53.050 -0.081 0.000 0.870 533 N CB 0.060 38.499 38.487 -0.081 0.000 0.979 533 N HN 0.258 nan 8.380 nan 0.000 0.431 534 A N -0.851 121.913 122.820 -0.093 0.000 2.123 534 A HA 0.116 4.436 4.320 -0.001 0.000 0.214 534 A C 1.093 178.640 177.584 -0.060 0.000 1.152 534 A CA 1.087 53.081 52.037 -0.072 0.000 0.728 534 A CB -0.526 18.425 19.000 -0.081 0.000 0.814 534 A HN 0.485 nan 8.150 nan 0.000 0.464 535 T N 0.000 114.512 114.554 -0.070 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.067 62.100 -0.055 0.000 1.349 535 T CB 0.000 68.830 68.868 -0.063 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658