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 3i6z_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.648 174.600 0.080 0.000 1.055 4 S CA 0.000 58.231 58.200 0.051 0.000 1.107 4 S CB 0.000 63.227 63.200 0.045 0.000 0.593 5 E N 1.943 122.193 120.200 0.084 0.000 2.153 5 E HA -0.028 4.321 4.350 -0.001 0.000 0.194 5 E C 1.073 177.794 176.600 0.202 0.000 0.988 5 E CA 1.229 57.705 56.400 0.127 0.000 0.811 5 E CB -0.095 29.667 29.700 0.103 0.000 0.746 5 E HN 0.692 nan 8.360 nan 0.000 0.466 6 L N 0.981 122.286 121.223 0.135 0.000 2.612 6 L HA 0.146 4.485 4.340 -0.001 0.000 0.230 6 L C 0.105 177.142 176.870 0.278 0.000 1.140 6 L CA -0.360 54.550 54.840 0.117 0.000 0.896 6 L CB 0.266 42.298 42.059 -0.046 0.000 1.065 6 L HN 0.112 nan 8.230 nan 0.000 0.447 7 L N 0.549 121.926 121.223 0.257 0.000 2.313 7 L HA 0.579 4.919 4.340 -0.001 0.000 0.283 7 L C -0.699 176.266 176.870 0.159 0.000 1.013 7 L CA -0.320 54.657 54.840 0.228 0.000 0.816 7 L CB 1.735 43.869 42.059 0.125 0.000 1.236 7 L HN -0.313 nan 8.230 nan 0.000 0.419 8 V N 4.393 124.370 119.914 0.104 0.000 2.638 8 V HA 0.477 4.596 4.120 -0.001 0.000 0.306 8 V C -0.630 175.368 176.094 -0.160 0.000 1.052 8 V CA -0.807 61.381 62.300 -0.186 0.000 0.885 8 V CB 1.977 33.356 31.823 -0.740 0.000 0.999 8 V HN 0.770 nan 8.190 nan 0.000 0.424 9 N N 2.941 121.496 118.700 -0.242 0.000 2.422 9 N HA 0.561 5.300 4.740 -0.001 0.000 0.266 9 N C -0.162 175.021 175.510 -0.545 0.000 1.007 9 N CA -0.039 52.841 53.050 -0.283 0.000 0.941 9 N CB 1.548 39.864 38.487 -0.284 0.000 1.115 9 N HN 0.928 nan 8.380 nan 0.000 0.492 10 T N -0.088 114.239 114.554 -0.378 0.000 2.938 10 T HA 0.394 4.743 4.350 -0.001 0.000 0.285 10 T C 0.986 175.427 174.700 -0.432 0.000 1.028 10 T CA -0.621 61.227 62.100 -0.422 0.000 1.005 10 T CB 1.135 70.032 68.868 0.049 0.000 1.157 10 T HN 0.377 nan 8.240 nan 0.000 0.550 11 K N 0.209 120.408 120.400 -0.335 0.000 2.360 11 K HA 0.024 4.344 4.320 -0.001 0.000 0.201 11 K C 1.883 178.333 176.600 -0.250 0.000 1.046 11 K CA 0.890 57.026 56.287 -0.251 0.000 0.945 11 K CB -0.085 32.329 32.500 -0.142 0.000 0.750 11 K HN 0.421 nan 8.250 nan 0.000 0.464 12 S N -0.342 115.198 115.700 -0.266 0.000 2.535 12 S HA 0.194 4.663 4.470 -0.001 0.000 0.214 12 S C 0.394 174.314 174.600 -1.134 0.000 0.980 12 S CA 0.285 58.206 58.200 -0.465 0.000 0.907 12 S CB 0.931 64.041 63.200 -0.150 0.000 0.790 12 S HN 0.555 nan 8.310 nan 0.000 0.510 13 G N 1.145 109.475 108.800 -0.784 0.000 2.353 13 G HA2 0.050 4.009 3.960 -0.001 0.000 0.424 13 G HA3 0.050 4.009 3.960 -0.001 0.000 0.424 13 G C -1.592 173.226 174.900 -0.138 0.000 1.320 13 G CA -1.145 43.486 45.100 -0.781 0.000 0.995 13 G HN 0.098 nan 8.290 nan 0.000 0.580 14 K N -0.708 119.788 120.400 0.159 0.000 2.237 14 K HA 0.594 4.913 4.320 -0.001 0.000 0.270 14 K C -0.354 176.618 176.600 0.620 0.000 1.015 14 K CA -0.407 56.062 56.287 0.303 0.000 0.949 14 K CB 1.742 34.375 32.500 0.221 0.000 0.976 14 K HN 0.379 nan 8.250 nan 0.000 0.472 15 V N 3.107 123.312 119.914 0.485 0.000 2.709 15 V HA 0.325 4.444 4.120 -0.001 0.000 0.308 15 V C -1.027 175.366 176.094 0.499 0.000 1.062 15 V CA -0.943 61.703 62.300 0.575 0.000 0.901 15 V CB 1.875 34.088 31.823 0.650 0.000 1.003 15 V HN 0.721 nan 8.190 nan 0.000 0.425 16 M N 3.879 123.736 119.600 0.427 0.000 2.181 16 M HA 0.781 5.261 4.480 -0.001 0.000 0.323 16 M C 0.116 176.516 176.300 0.166 0.000 1.004 16 M CA 0.084 55.558 55.300 0.289 0.000 0.941 16 M CB 1.216 33.906 32.600 0.149 0.000 1.579 16 M HN 0.736 nan 8.290 nan 0.000 0.427 17 G N 1.517 110.256 108.800 -0.101 0.000 2.543 17 G HA2 0.654 4.614 3.960 -0.001 0.000 0.267 17 G HA3 0.654 4.614 3.960 -0.001 0.000 0.267 17 G C -1.074 173.595 174.900 -0.385 0.000 1.406 17 G CA -0.361 44.379 45.100 -0.599 0.000 1.048 17 G HN 0.691 nan 8.290 nan 0.000 0.548 18 T N -1.556 112.741 114.554 -0.428 0.000 2.900 18 T HA 0.526 4.876 4.350 -0.001 0.000 0.303 18 T C -0.757 173.813 174.700 -0.216 0.000 1.142 18 T CA -0.685 61.265 62.100 -0.250 0.000 1.007 18 T CB 1.581 70.333 68.868 -0.194 0.000 1.156 18 T HN 0.549 nan 8.240 nan 0.000 0.490 19 R N 2.813 123.232 120.500 -0.136 0.000 2.308 19 R HA 0.676 5.016 4.340 -0.001 0.000 0.305 19 R C -1.267 175.019 176.300 -0.024 0.000 1.053 19 R CA -0.385 55.667 56.100 -0.081 0.000 0.957 19 R CB 0.545 30.778 30.300 -0.112 0.000 1.022 19 R HN 0.452 nan 8.270 nan 0.000 0.461 20 V N 7.151 127.093 119.914 0.047 0.000 2.604 20 V HA 0.457 4.577 4.120 -0.001 0.000 0.305 20 V C -2.118 174.055 176.094 0.132 0.000 1.043 20 V CA -1.997 60.344 62.300 0.070 0.000 0.888 20 V CB 1.897 33.751 31.823 0.051 0.000 0.995 20 V HN 0.864 nan 8.190 nan 0.000 0.429 21 P HA 0.372 nan 4.420 nan 0.000 0.279 21 P C -1.265 175.888 177.300 -0.246 0.000 1.239 21 P CA -0.190 62.807 63.100 -0.172 0.000 0.789 21 P CB 1.618 33.240 31.700 -0.129 0.000 0.933 22 V N 3.718 123.391 119.914 -0.402 0.000 2.624 22 V HA 0.144 4.263 4.120 -0.001 0.000 0.294 22 V C 0.560 176.393 176.094 -0.434 0.000 1.077 22 V CA -0.890 61.175 62.300 -0.391 0.000 0.905 22 V CB 1.137 32.652 31.823 -0.513 0.000 1.025 22 V HN 0.478 nan 8.190 nan 0.000 0.440 23 L N 3.870 124.995 121.223 -0.163 0.000 3.879 23 L HA -0.294 4.045 4.340 -0.001 0.000 0.481 23 L C 1.141 177.917 176.870 -0.157 0.000 1.232 23 L CA 0.875 55.661 54.840 -0.089 0.000 0.736 23 L CB -1.704 40.383 42.059 0.048 0.000 1.511 23 L HN 1.083 nan 8.230 nan 0.000 0.830 24 S N -2.905 112.682 115.700 -0.188 0.000 2.929 24 S HA -0.225 4.245 4.470 -0.001 0.000 0.271 24 S C 0.485 174.942 174.600 -0.238 0.000 1.295 24 S CA 1.487 59.587 58.200 -0.167 0.000 1.277 24 S CB -0.640 62.522 63.200 -0.064 0.000 1.557 24 S HN 0.867 nan 8.310 nan 0.000 0.666 25 S N -0.378 115.070 115.700 -0.421 0.000 3.081 25 S HA 0.822 5.292 4.470 -0.001 0.000 0.316 25 S C -1.308 172.900 174.600 -0.654 0.000 1.089 25 S CA -0.548 57.412 58.200 -0.401 0.000 0.897 25 S CB 1.167 64.183 63.200 -0.308 0.000 1.358 25 S HN 0.439 nan 8.310 nan 0.000 0.678 26 H N -0.100 118.861 119.070 -0.181 0.000 3.037 26 H HA 0.628 5.183 4.556 -0.001 0.000 0.355 26 H C -0.865 174.447 175.328 -0.026 0.000 1.263 26 H CA -0.227 55.755 56.048 -0.110 0.000 1.129 26 H CB 1.452 31.186 29.762 -0.046 0.000 1.861 26 H HN 0.807 nan 8.280 nan 0.000 0.546 27 I N -1.955 118.707 120.570 0.154 0.000 3.263 27 I HA 0.572 4.742 4.170 -0.001 0.000 0.314 27 I C -0.901 175.303 176.117 0.144 0.000 1.269 27 I CA -0.894 60.514 61.300 0.179 0.000 0.942 27 I CB 2.377 40.514 38.000 0.229 0.000 1.305 27 I HN 0.298 nan 8.210 nan 0.000 0.474 28 S N 1.436 117.231 115.700 0.159 0.000 2.578 28 S HA 0.855 5.325 4.470 -0.001 0.000 0.283 28 S C -0.294 174.316 174.600 0.016 0.000 1.195 28 S CA -0.520 57.703 58.200 0.038 0.000 1.050 28 S CB 1.549 64.812 63.200 0.105 0.000 1.012 28 S HN 0.890 nan 8.310 nan 0.000 0.511 29 A N 2.000 124.661 122.820 -0.265 0.000 2.374 29 A HA 0.779 5.099 4.320 -0.001 0.000 0.305 29 A C -1.402 175.869 177.584 -0.521 0.000 1.053 29 A CA -0.636 51.180 52.037 -0.368 0.000 0.726 29 A CB 0.510 19.257 19.000 -0.420 0.000 1.229 29 A HN 0.649 nan 8.150 nan 0.000 0.431 30 F N 2.875 122.689 119.950 -0.225 0.000 2.359 30 F HA 0.455 4.982 4.527 -0.001 0.000 0.369 30 F C -0.128 175.552 175.800 -0.200 0.000 1.084 30 F CA -0.365 57.586 58.000 -0.081 0.000 1.096 30 F CB 1.218 40.281 39.000 0.105 0.000 1.335 30 F HN 0.366 nan 8.300 nan 0.000 0.457 31 L N 2.146 123.315 121.223 -0.090 0.000 2.325 31 L HA 0.679 5.019 4.340 -0.001 0.000 0.279 31 L C 1.007 177.905 176.870 0.046 0.000 1.054 31 L CA -0.962 53.815 54.840 -0.104 0.000 0.804 31 L CB 1.414 43.318 42.059 -0.260 0.000 1.200 31 L HN 0.821 nan 8.230 nan 0.000 0.436 32 G N 3.116 111.971 108.800 0.092 0.000 2.272 32 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.280 32 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.280 32 G C -0.171 174.834 174.900 0.175 0.000 1.067 32 G CA -0.314 44.850 45.100 0.106 0.000 0.902 32 G HN 0.481 nan 8.290 nan 0.000 0.500 33 I N 2.121 122.715 120.570 0.041 0.000 2.371 33 I HA 0.244 4.413 4.170 -0.001 0.000 0.290 33 I C -1.363 174.558 176.117 -0.327 0.000 1.028 33 I CA -2.218 58.926 61.300 -0.260 0.000 1.345 33 I CB 1.262 39.081 38.000 -0.301 0.000 1.407 33 I HN 0.011 nan 8.210 nan 0.000 0.501 34 P HA 0.057 nan 4.420 nan 0.000 0.276 34 P C -0.354 176.576 177.300 -0.617 0.000 1.230 34 P CA 0.016 62.603 63.100 -0.854 0.000 0.776 34 P CB 0.673 31.787 31.700 -0.977 0.000 0.888 35 F N 0.745 120.359 119.950 -0.560 0.000 2.746 35 F HA 0.733 5.259 4.527 -0.001 0.000 0.320 35 F C 0.000 175.700 175.800 -0.168 0.000 1.097 35 F CA -0.855 56.895 58.000 -0.416 0.000 1.195 35 F CB 0.075 38.816 39.000 -0.433 0.000 1.056 35 F HN 0.361 nan 8.300 nan 0.000 0.562 36 A N 0.051 122.563 122.820 -0.514 0.000 2.594 36 A HA 0.620 4.939 4.320 -0.001 0.000 0.291 36 A C -0.900 176.502 177.584 -0.303 0.000 1.105 36 A CA -0.761 51.110 52.037 -0.278 0.000 0.694 36 A CB 1.081 19.914 19.000 -0.278 0.000 1.291 36 A HN 0.045 nan 8.150 nan 0.000 0.410 37 E N 0.923 121.036 120.200 -0.145 0.000 2.373 37 E HA 0.285 4.634 4.350 -0.001 0.000 0.267 37 E C -2.339 174.170 176.600 -0.151 0.000 1.032 37 E CA -1.409 54.926 56.400 -0.108 0.000 0.889 37 E CB 0.102 29.780 29.700 -0.036 0.000 0.984 37 E HN 0.250 nan 8.360 nan 0.000 0.425 38 P HA 0.010 nan 4.420 nan 0.000 0.263 38 P C -2.210 175.036 177.300 -0.089 0.000 1.195 38 P CA -0.684 62.346 63.100 -0.117 0.000 0.762 38 P CB 0.054 31.723 31.700 -0.052 0.000 0.799 39 P HA 0.025 nan 4.420 nan 0.000 0.220 39 P C -0.381 176.868 177.300 -0.084 0.000 1.806 39 P CA 0.046 63.099 63.100 -0.078 0.000 0.976 39 P CB -0.045 31.612 31.700 -0.073 0.000 1.952 40 V N -2.399 117.472 119.914 -0.072 0.000 2.994 40 V HA 0.894 5.014 4.120 -0.001 0.000 0.318 40 V C 0.961 177.016 176.094 -0.064 0.000 1.085 40 V CA 0.162 62.417 62.300 -0.074 0.000 0.998 40 V CB 0.810 32.599 31.823 -0.058 0.000 1.063 40 V HN 0.552 nan 8.190 nan 0.000 0.447 41 G N 2.418 111.177 108.800 -0.068 0.000 2.596 41 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.304 41 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.304 41 G C 0.563 175.426 174.900 -0.062 0.000 1.189 41 G CA 1.088 46.154 45.100 -0.056 0.000 0.986 41 G HN 1.103 nan 8.290 nan 0.000 0.548 42 N N 0.595 119.277 118.700 -0.031 0.000 2.573 42 N HA 0.159 4.899 4.740 -0.001 0.000 0.187 42 N C 2.174 177.677 175.510 -0.012 0.000 1.107 42 N CA 1.160 54.203 53.050 -0.011 0.000 0.918 42 N CB -0.093 38.403 38.487 0.014 0.000 0.966 42 N HN 0.515 nan 8.380 nan 0.000 0.448 43 M N -0.516 119.065 119.600 -0.033 0.000 2.495 43 M HA 0.069 4.549 4.480 -0.001 0.000 0.237 43 M C 0.513 176.772 176.300 -0.068 0.000 1.131 43 M CA -0.099 55.183 55.300 -0.029 0.000 1.032 43 M CB 0.391 32.975 32.600 -0.027 0.000 1.513 43 M HN -0.022 nan 8.290 nan 0.000 0.488 44 R N 0.641 121.049 120.500 -0.154 0.000 2.570 44 R HA -0.053 4.287 4.340 -0.001 0.000 0.277 44 R C -0.421 175.671 176.300 -0.347 0.000 1.039 44 R CA 0.692 56.577 56.100 -0.358 0.000 1.065 44 R CB 0.195 30.143 30.300 -0.587 0.000 0.964 44 R HN 0.257 nan 8.270 nan 0.000 0.428 45 F N -0.545 119.403 119.950 -0.003 0.000 2.502 45 F HA -0.283 4.244 4.527 -0.001 0.000 0.480 45 F C 0.500 176.280 175.800 -0.033 0.000 0.543 45 F CA 0.898 58.871 58.000 -0.045 0.000 1.350 45 F CB -1.421 37.538 39.000 -0.068 0.000 1.999 45 F HN 0.632 nan 8.300 nan 0.000 0.267 46 R N 1.219 121.788 120.500 0.115 0.000 2.560 46 R HA 0.506 4.846 4.340 -0.001 0.000 0.270 46 R C 0.667 176.996 176.300 0.048 0.000 1.074 46 R CA -0.862 55.282 56.100 0.075 0.000 1.140 46 R CB 0.580 30.910 30.300 0.050 0.000 1.073 46 R HN 0.092 nan 8.270 nan 0.000 0.527 47 R N 2.123 122.652 120.500 0.048 0.000 2.698 47 R HA 0.036 4.376 4.340 -0.001 0.000 0.266 47 R C -1.888 174.438 176.300 0.043 0.000 1.026 47 R CA -0.925 55.204 56.100 0.048 0.000 1.102 47 R CB -0.148 30.186 30.300 0.056 0.000 0.978 47 R HN 0.421 nan 8.270 nan 0.000 0.436 48 P HA 0.060 nan 4.420 nan 0.000 0.274 48 P C -0.881 176.450 177.300 0.052 0.000 1.231 48 P CA 0.025 63.153 63.100 0.047 0.000 0.790 48 P CB 0.875 32.626 31.700 0.086 0.000 0.951 49 E N 2.158 122.377 120.200 0.032 0.000 2.195 49 E HA 0.382 4.732 4.350 -0.001 0.000 0.271 49 E C -2.189 174.440 176.600 0.050 0.000 0.923 49 E CA -2.420 54.004 56.400 0.041 0.000 0.790 49 E CB 1.047 30.762 29.700 0.026 0.000 1.155 49 E HN 0.382 nan 8.360 nan 0.000 0.402 50 P HA 0.004 nan 4.420 nan 0.000 0.269 50 P C -0.195 177.155 177.300 0.084 0.000 1.209 50 P CA -0.327 62.838 63.100 0.110 0.000 0.776 50 P CB 0.676 32.450 31.700 0.123 0.000 0.876 51 K N 3.253 123.711 120.400 0.097 0.000 2.412 51 K HA 0.056 4.376 4.320 -0.001 0.000 0.281 51 K C 0.030 176.716 176.600 0.143 0.000 1.027 51 K CA 0.205 56.544 56.287 0.088 0.000 0.989 51 K CB -0.040 32.507 32.500 0.078 0.000 0.935 51 K HN 0.235 nan 8.250 nan 0.000 0.475 52 K N 5.864 126.346 120.400 0.137 0.000 2.401 52 K HA 0.125 4.445 4.320 -0.001 0.000 0.278 52 K C -2.166 174.536 176.600 0.171 0.000 1.018 52 K CA -1.570 54.794 56.287 0.129 0.000 0.981 52 K CB 0.151 32.724 32.500 0.120 0.000 0.933 52 K HN 0.513 nan 8.250 nan 0.000 0.477 53 P HA -0.061 nan 4.420 nan 0.000 0.268 53 P C -1.231 176.099 177.300 0.049 0.000 1.208 53 P CA -0.020 63.014 63.100 -0.110 0.000 0.777 53 P CB 0.281 31.882 31.700 -0.165 0.000 0.875 54 W N 0.649 122.026 121.300 0.127 0.000 2.706 54 W HA 0.734 5.393 4.660 -0.001 0.000 0.346 54 W C -0.815 175.779 176.519 0.125 0.000 1.071 54 W CA -0.741 56.696 57.345 0.154 0.000 1.206 54 W CB 0.209 29.829 29.460 0.266 0.000 1.413 54 W HN 0.105 nan 8.180 nan 0.000 0.542 55 S N 1.109 116.995 115.700 0.311 0.000 2.693 55 S HA 0.755 5.224 4.470 -0.001 0.000 0.276 55 S C 0.500 175.291 174.600 0.319 0.000 1.192 55 S CA 0.608 58.928 58.200 0.200 0.000 0.994 55 S CB 0.818 64.097 63.200 0.131 0.000 1.012 55 S HN 1.481 nan 8.310 nan 0.000 0.550 56 G N -0.174 108.758 108.800 0.219 0.000 2.698 56 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.233 56 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.233 56 G C -0.558 174.543 174.900 0.333 0.000 1.352 56 G CA -0.226 45.005 45.100 0.218 0.000 0.879 56 G HN 1.390 nan 8.290 nan 0.000 0.567 57 V N 1.140 121.204 119.914 0.251 0.000 2.417 57 V HA 0.668 4.787 4.120 -0.001 0.000 0.291 57 V C 0.126 176.347 176.094 0.212 0.000 1.024 57 V CA -0.825 61.656 62.300 0.301 0.000 0.861 57 V CB 1.451 33.392 31.823 0.197 0.000 0.985 57 V HN 1.162 nan 8.190 nan 0.000 0.436 58 W N 6.613 127.977 121.300 0.106 0.000 2.266 58 W HA 0.290 4.950 4.660 -0.001 0.000 0.317 58 W C 0.104 176.602 176.519 -0.034 0.000 1.310 58 W CA -0.254 56.987 57.345 -0.173 0.000 1.207 58 W CB 1.079 30.238 29.460 -0.503 0.000 1.199 58 W HN 0.780 nan 8.180 nan 0.000 0.544 59 N N 4.567 123.063 118.700 -0.341 0.000 2.401 59 N HA 0.209 4.949 4.740 -0.001 0.000 0.255 59 N C -0.532 175.006 175.510 0.047 0.000 1.110 59 N CA 0.209 53.177 53.050 -0.136 0.000 0.949 59 N CB 1.009 39.344 38.487 -0.254 0.000 1.110 59 N HN 0.389 nan 8.380 nan 0.000 0.490 60 A N 2.819 125.757 122.820 0.197 0.000 3.041 60 A HA 0.190 4.510 4.320 -0.001 0.000 0.307 60 A C 1.031 178.625 177.584 0.018 0.000 1.116 60 A CA -0.417 51.752 52.037 0.220 0.000 1.001 60 A CB -0.461 18.759 19.000 0.368 0.000 1.112 60 A HN 0.643 nan 8.150 nan 0.000 0.556 61 S N -0.874 114.798 115.700 -0.047 0.000 2.524 61 S HA 0.162 4.631 4.470 -0.001 0.000 0.215 61 S C 0.752 175.265 174.600 -0.145 0.000 0.986 61 S CA 0.637 58.765 58.200 -0.120 0.000 0.911 61 S CB -0.255 62.881 63.200 -0.106 0.000 0.805 61 S HN 0.853 nan 8.310 nan 0.000 0.501 62 T N -1.041 113.445 114.554 -0.113 0.000 2.903 62 T HA 0.628 4.977 4.350 -0.001 0.000 0.299 62 T C -0.833 173.836 174.700 -0.051 0.000 1.093 62 T CA -0.772 61.258 62.100 -0.116 0.000 1.002 62 T CB 0.701 69.523 68.868 -0.076 0.000 1.127 62 T HN 0.058 nan 8.240 nan 0.000 0.488 63 Y N 2.871 123.139 120.300 -0.055 0.000 2.652 63 Y HA 0.307 4.857 4.550 -0.001 0.000 0.344 63 Y C -1.351 174.487 175.900 -0.104 0.000 1.254 63 Y CA -1.062 57.007 58.100 -0.051 0.000 1.480 63 Y CB 0.089 38.541 38.460 -0.014 0.000 1.345 63 Y HN 0.556 nan 8.280 nan 0.000 0.617 64 P HA 0.140 nan 4.420 nan 0.000 0.284 64 P C -0.738 176.483 177.300 -0.131 0.000 1.292 64 P CA -0.596 62.385 63.100 -0.198 0.000 0.800 64 P CB 1.003 32.467 31.700 -0.393 0.000 1.188 65 N N 0.165 118.758 118.700 -0.178 0.000 2.371 65 N HA 0.109 4.849 4.740 -0.001 0.000 0.243 65 N C 0.053 175.530 175.510 -0.056 0.000 1.287 65 N CA 0.225 53.217 53.050 -0.096 0.000 0.911 65 N CB -0.139 38.299 38.487 -0.081 0.000 1.142 65 N HN 0.416 nan 8.380 nan 0.000 0.451 66 N N -0.805 117.855 118.700 -0.067 0.000 2.489 66 N HA 0.311 5.051 4.740 -0.001 0.000 0.284 66 N C -0.440 175.029 175.510 -0.069 0.000 1.158 66 N CA -0.691 52.315 53.050 -0.073 0.000 0.965 66 N CB 1.063 39.482 38.487 -0.113 0.000 1.195 66 N HN 0.399 nan 8.380 nan 0.000 0.506 67 c N 1.147 119.709 118.600 -0.064 0.000 2.700 67 c HA 0.060 4.630 4.570 -0.001 0.000 0.397 67 c C 0.634 174.640 174.090 -0.140 0.000 1.301 67 c CA -0.584 55.687 56.329 -0.097 0.000 2.219 67 c CB -0.023 42.456 42.510 -0.051 0.000 2.699 67 c HN 0.533 nan 8.230 nan 0.000 0.669 68 Q N 2.423 122.058 119.800 -0.275 0.000 2.300 68 Q HA 0.224 4.564 4.340 -0.001 0.000 0.280 68 Q C -0.068 175.891 176.000 -0.068 0.000 1.033 68 Q CA 0.966 56.596 55.803 -0.289 0.000 0.903 68 Q CB 0.502 28.799 28.738 -0.735 0.000 1.195 68 Q HN 0.890 nan 8.270 nan 0.000 0.386 69 Q N 1.262 121.103 119.800 0.069 0.000 2.633 69 Q HA 0.292 4.631 4.340 -0.001 0.000 0.289 69 Q C -1.361 174.803 176.000 0.274 0.000 0.940 69 Q CA -0.990 54.947 55.803 0.222 0.000 0.785 69 Q CB 0.686 29.519 28.738 0.159 0.000 1.467 69 Q HN 0.475 nan 8.270 nan 0.000 0.401 70 Y N 1.050 121.530 120.300 0.300 0.000 2.511 70 Y HA 0.369 4.919 4.550 -0.001 0.000 0.332 70 Y C -0.988 175.088 175.900 0.292 0.000 1.177 70 Y CA 0.338 58.637 58.100 0.331 0.000 1.422 70 Y CB 0.931 39.675 38.460 0.474 0.000 1.271 70 Y HN 0.448 nan 8.280 nan 0.000 0.550 71 V N 6.669 126.346 119.914 -0.394 0.000 2.448 71 V HA 0.122 4.242 4.120 -0.001 0.000 0.295 71 V C -0.494 175.426 176.094 -0.290 0.000 1.025 71 V CA -1.147 61.036 62.300 -0.196 0.000 0.859 71 V CB 1.502 33.254 31.823 -0.120 0.000 0.988 71 V HN 0.752 nan 8.190 nan 0.000 0.431 72 D N 4.049 124.484 120.400 0.059 0.000 2.382 72 D HA 0.071 4.710 4.640 -0.001 0.000 0.259 72 D C 0.508 176.884 176.300 0.127 0.000 1.224 72 D CA 0.402 54.528 54.000 0.209 0.000 0.894 72 D CB 0.893 41.910 40.800 0.362 0.000 1.127 72 D HN 0.706 nan 8.370 nan 0.000 0.487 73 E N 2.689 122.933 120.200 0.073 0.000 2.734 73 E HA 0.000 4.350 4.350 -0.001 0.000 0.211 73 E C 1.002 177.577 176.600 -0.042 0.000 0.991 73 E CA -0.312 56.104 56.400 0.027 0.000 1.065 73 E CB 0.728 30.417 29.700 -0.018 0.000 1.047 73 E HN 0.370 nan 8.360 nan 0.000 0.470 74 Q N -0.454 119.286 119.800 -0.100 0.000 2.124 74 Q HA -0.048 4.292 4.340 -0.001 0.000 0.202 74 Q C -0.060 175.435 176.000 -0.842 0.000 0.977 74 Q CA 1.160 56.633 55.803 -0.550 0.000 0.850 74 Q CB 0.211 28.424 28.738 -0.876 0.000 0.901 74 Q HN 0.214 nan 8.270 nan 0.000 0.429 75 F N 0.145 120.173 119.950 0.130 0.000 2.660 75 F HA 0.357 4.884 4.527 -0.001 0.000 0.352 75 F C -2.165 173.722 175.800 0.145 0.000 1.257 75 F CA -2.918 55.143 58.000 0.102 0.000 1.200 75 F CB 1.061 40.125 39.000 0.106 0.000 1.473 75 F HN -0.197 nan 8.300 nan 0.000 0.561 76 P HA 0.131 nan 4.420 nan 0.000 0.260 76 P C 1.036 178.426 177.300 0.151 0.000 1.172 76 P CA 1.394 64.574 63.100 0.133 0.000 0.760 76 P CB 0.655 32.397 31.700 0.069 0.000 0.773 77 G N 2.621 111.496 108.800 0.126 0.000 2.234 77 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.260 77 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.260 77 G C 0.075 175.050 174.900 0.124 0.000 0.987 77 G CA -0.356 44.800 45.100 0.093 0.000 0.625 77 G HN 0.538 nan 8.290 nan 0.000 0.532 78 F N 3.074 123.033 119.950 0.015 0.000 2.467 78 F HA 0.514 5.041 4.527 -0.001 0.000 0.362 78 F C 1.674 177.416 175.800 -0.095 0.000 1.090 78 F CA -0.068 57.890 58.000 -0.070 0.000 1.202 78 F CB 1.248 40.208 39.000 -0.066 0.000 1.113 78 F HN 0.238 nan 8.300 nan 0.000 0.541 79 S N 3.378 118.648 115.700 -0.717 0.000 2.428 79 S HA -0.048 4.422 4.470 -0.001 0.000 0.230 79 S C 2.169 176.332 174.600 -0.729 0.000 1.014 79 S CA 0.741 58.579 58.200 -0.604 0.000 0.957 79 S CB -1.098 61.802 63.200 -0.499 0.000 0.784 79 S HN 0.828 nan 8.310 nan 0.000 0.499 80 G N 1.944 109.825 108.800 -1.532 0.000 2.440 80 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.218 80 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.218 80 G C 1.767 176.828 174.900 0.269 0.000 1.154 80 G CA 1.419 45.915 45.100 -1.006 0.000 0.767 80 G HN 0.797 nan 8.290 nan 0.000 0.552 81 S N 0.020 115.951 115.700 0.384 0.000 2.441 81 S HA 0.104 4.574 4.470 -0.001 0.000 0.224 81 S C 1.855 176.759 174.600 0.506 0.000 1.043 81 S CA 0.852 59.586 58.200 0.889 0.000 0.948 81 S CB -0.095 63.756 63.200 1.085 0.000 0.810 81 S HN 0.502 nan 8.310 nan 0.000 0.504 82 E N 2.033 122.359 120.200 0.209 0.000 2.347 82 E HA -0.019 4.331 4.350 -0.001 0.000 0.196 82 E C 1.972 178.533 176.600 -0.066 0.000 1.008 82 E CA 1.019 57.469 56.400 0.085 0.000 0.852 82 E CB -0.451 29.267 29.700 0.031 0.000 0.783 82 E HN 0.818 nan 8.360 nan 0.000 0.505 83 M N -1.751 117.714 119.600 -0.226 0.000 2.549 83 M HA -0.050 4.429 4.480 -0.001 0.000 0.260 83 M C 0.968 176.896 176.300 -0.620 0.000 1.076 83 M CA 1.340 56.346 55.300 -0.489 0.000 1.090 83 M CB -0.376 31.811 32.600 -0.688 0.000 1.418 83 M HN 0.049 nan 8.290 nan 0.000 0.486 84 W N 0.708 121.976 121.300 -0.053 0.000 3.013 84 W HA 0.271 4.931 4.660 -0.001 0.000 0.280 84 W C 0.507 176.958 176.519 -0.114 0.000 1.249 84 W CA -0.884 56.399 57.345 -0.104 0.000 1.577 84 W CB -0.039 29.399 29.460 -0.037 0.000 1.057 84 W HN 0.091 nan 8.180 nan 0.000 0.613 85 N N 2.559 121.324 118.700 0.109 0.000 2.482 85 N HA 0.083 4.823 4.740 -0.001 0.000 0.260 85 N C -2.295 173.189 175.510 -0.043 0.000 1.236 85 N CA -1.227 51.850 53.050 0.046 0.000 0.938 85 N CB -0.188 38.331 38.487 0.052 0.000 1.128 85 N HN -0.253 nan 8.380 nan 0.000 0.448 86 P HA 0.031 nan 4.420 nan 0.000 0.265 86 P C -0.076 177.169 177.300 -0.092 0.000 1.193 86 P CA -0.034 63.008 63.100 -0.097 0.000 0.765 86 P CB 0.381 32.030 31.700 -0.084 0.000 0.823 87 N N 2.109 120.738 118.700 -0.118 0.000 2.204 87 N HA 0.085 4.825 4.740 -0.001 0.000 0.219 87 N C 0.224 175.687 175.510 -0.079 0.000 1.151 87 N CA -0.131 52.860 53.050 -0.098 0.000 0.867 87 N CB 0.353 38.770 38.487 -0.117 0.000 1.043 87 N HN 0.184 nan 8.380 nan 0.000 0.516 88 R N 0.212 120.662 120.500 -0.084 0.000 2.855 88 R HA 0.275 4.615 4.340 -0.001 0.000 0.266 88 R C -0.570 175.692 176.300 -0.064 0.000 1.034 88 R CA -0.676 55.386 56.100 -0.064 0.000 0.944 88 R CB 1.361 31.618 30.300 -0.071 0.000 1.219 88 R HN 0.329 nan 8.270 nan 0.000 0.474 89 E N 1.622 121.788 120.200 -0.056 0.000 2.413 89 E HA 0.028 4.377 4.350 -0.001 0.000 0.263 89 E C -0.488 176.073 176.600 -0.065 0.000 1.015 89 E CA 0.150 56.517 56.400 -0.055 0.000 0.916 89 E CB 0.650 30.319 29.700 -0.052 0.000 0.947 89 E HN 0.268 nan 8.360 nan 0.000 0.440 90 M N 2.599 122.161 119.600 -0.065 0.000 2.274 90 M HA 0.238 4.718 4.480 -0.001 0.000 0.344 90 M C -0.183 176.063 176.300 -0.089 0.000 1.161 90 M CA -0.095 55.157 55.300 -0.080 0.000 1.126 90 M CB 1.669 34.222 32.600 -0.079 0.000 1.522 90 M HN 0.435 nan 8.290 nan 0.000 0.461 91 S N 0.478 116.113 115.700 -0.109 0.000 2.543 91 S HA 0.229 4.699 4.470 -0.001 0.000 0.274 91 S C -0.008 174.498 174.600 -0.157 0.000 1.149 91 S CA -0.697 57.435 58.200 -0.113 0.000 0.866 91 S CB 1.443 64.603 63.200 -0.066 0.000 1.111 91 S HN 0.831 nan 8.310 nan 0.000 0.457 92 E N 0.930 121.015 120.200 -0.190 0.000 2.347 92 E HA -0.061 4.288 4.350 -0.001 0.000 0.196 92 E C -0.313 176.216 176.600 -0.119 0.000 1.008 92 E CA 0.457 56.720 56.400 -0.227 0.000 0.852 92 E CB 0.106 29.670 29.700 -0.226 0.000 0.783 92 E HN 0.511 nan 8.360 nan 0.000 0.505 93 D N 0.558 120.924 120.400 -0.056 0.000 2.483 93 D HA 0.005 4.644 4.640 -0.001 0.000 0.220 93 D C -0.030 176.348 176.300 0.131 0.000 1.173 93 D CA -0.320 53.692 54.000 0.020 0.000 0.964 93 D CB -0.006 40.828 40.800 0.056 0.000 1.046 93 D HN 0.131 nan 8.370 nan 0.000 0.517 94 c N 2.554 121.204 118.600 0.083 0.000 3.722 94 c HA 0.396 4.965 4.570 -0.001 0.000 0.279 94 c C 0.453 174.617 174.090 0.125 0.000 1.819 94 c CA -0.712 55.729 56.329 0.187 0.000 1.744 94 c CB -1.325 41.214 42.510 0.048 0.000 3.247 94 c HN 0.416 nan 8.230 nan 0.000 0.549 95 L N 2.610 123.648 121.223 -0.308 0.000 2.375 95 L HA 0.462 4.801 4.340 -0.001 0.000 0.276 95 L C -0.914 175.158 176.870 -1.330 0.000 1.162 95 L CA 0.390 54.786 54.840 -0.741 0.000 0.991 95 L CB -0.467 41.030 42.059 -0.936 0.000 1.315 95 L HN 0.362 nan 8.230 nan 0.000 0.431 96 Y N 2.327 122.482 120.300 -0.242 0.000 2.609 96 Y HA 0.673 5.222 4.550 -0.001 0.000 0.342 96 Y C -0.174 175.907 175.900 0.301 0.000 1.058 96 Y CA -1.279 56.790 58.100 -0.052 0.000 1.055 96 Y CB 1.973 40.403 38.460 -0.051 0.000 1.292 96 Y HN 0.225 nan 8.280 nan 0.000 0.476 97 L N -0.152 121.267 121.223 0.328 0.000 2.350 97 L HA 0.781 5.121 4.340 -0.001 0.000 0.260 97 L C -1.295 175.633 176.870 0.097 0.000 1.015 97 L CA -1.116 53.844 54.840 0.200 0.000 0.821 97 L CB 1.870 43.947 42.059 0.030 0.000 1.370 97 L HN 0.469 nan 8.230 nan 0.000 0.416 98 N N 1.650 120.408 118.700 0.096 0.000 2.269 98 N HA 0.722 5.462 4.740 -0.001 0.000 0.304 98 N C -1.325 174.120 175.510 -0.108 0.000 1.072 98 N CA -0.245 52.771 53.050 -0.057 0.000 0.802 98 N CB 2.745 41.195 38.487 -0.062 0.000 1.348 98 N HN 0.658 nan 8.380 nan 0.000 0.484 99 I N 0.368 120.795 120.570 -0.239 0.000 2.499 99 I HA 0.392 4.562 4.170 -0.001 0.000 0.288 99 I C -0.771 175.306 176.117 -0.066 0.000 1.048 99 I CA -0.722 60.536 61.300 -0.071 0.000 1.062 99 I CB 2.250 40.136 38.000 -0.190 0.000 1.238 99 I HN 0.240 nan 8.210 nan 0.000 0.426 100 W N 5.678 127.109 121.300 0.219 0.000 2.429 100 W HA 0.586 5.246 4.660 -0.001 0.000 0.314 100 W C -0.968 175.693 176.519 0.237 0.000 1.062 100 W CA -0.665 56.810 57.345 0.215 0.000 1.211 100 W CB 2.214 31.771 29.460 0.161 0.000 1.305 100 W HN 0.097 nan 8.180 nan 0.000 0.476 101 V N 5.448 125.634 119.914 0.454 0.000 2.487 101 V HA 0.289 4.409 4.120 -0.001 0.000 0.298 101 V C -1.773 174.517 176.094 0.327 0.000 1.028 101 V CA -2.258 60.276 62.300 0.391 0.000 0.860 101 V CB 1.834 33.944 31.823 0.478 0.000 0.991 101 V HN 0.268 nan 8.190 nan 0.000 0.427 102 P HA 0.084 nan 4.420 nan 0.000 0.270 102 P C -0.448 176.985 177.300 0.222 0.000 1.227 102 P CA 0.098 63.342 63.100 0.240 0.000 0.788 102 P CB 0.771 32.581 31.700 0.184 0.000 0.926 103 S N 0.880 116.706 115.700 0.209 0.000 2.561 103 S HA 0.579 5.049 4.470 -0.001 0.000 0.303 103 S C -2.529 172.161 174.600 0.150 0.000 1.110 103 S CA -1.479 56.826 58.200 0.174 0.000 1.034 103 S CB -0.149 63.150 63.200 0.166 0.000 1.010 103 S HN 0.169 nan 8.310 nan 0.000 0.482 104 P HA 0.224 nan 4.420 nan 0.000 0.269 104 P C -0.529 176.847 177.300 0.126 0.000 1.215 104 P CA -0.519 62.648 63.100 0.112 0.000 0.780 104 P CB 0.345 32.096 31.700 0.085 0.000 0.898 105 R N 3.054 123.634 120.500 0.134 0.000 2.502 105 R HA 0.057 4.396 4.340 -0.001 0.000 0.292 105 R C -1.855 174.513 176.300 0.113 0.000 0.998 105 R CA -0.912 55.277 56.100 0.148 0.000 1.056 105 R CB -0.227 30.160 30.300 0.146 0.000 0.939 105 R HN 0.400 nan 8.270 nan 0.000 0.411 106 P HA 0.076 nan 4.420 nan 0.000 0.275 106 P C -0.566 176.772 177.300 0.064 0.000 1.266 106 P CA -0.321 62.829 63.100 0.084 0.000 0.793 106 P CB 0.770 32.523 31.700 0.087 0.000 1.074 107 K N -0.681 119.744 120.400 0.042 0.000 2.190 107 K HA 0.127 4.446 4.320 -0.001 0.000 0.202 107 K C 0.813 177.414 176.600 0.003 0.000 1.045 107 K CA 0.899 57.198 56.287 0.020 0.000 0.976 107 K CB -0.385 32.123 32.500 0.013 0.000 0.849 107 K HN 0.418 nan 8.250 nan 0.000 0.468 108 S N 0.971 116.675 115.700 0.007 0.000 2.479 108 S HA 0.180 4.649 4.470 -0.001 0.000 0.169 108 S C -1.076 173.527 174.600 0.005 0.000 1.181 108 S CA -0.376 57.819 58.200 -0.009 0.000 1.169 108 S CB 0.370 63.555 63.200 -0.026 0.000 1.384 108 S HN 0.147 nan 8.310 nan 0.000 0.412 109 T N 1.818 116.386 114.554 0.023 0.000 2.938 109 T HA 0.589 4.938 4.350 -0.001 0.000 0.285 109 T C 0.056 174.773 174.700 0.028 0.000 1.028 109 T CA -0.097 62.020 62.100 0.028 0.000 1.005 109 T CB 1.264 70.161 68.868 0.048 0.000 1.157 109 T HN 0.447 nan 8.240 nan 0.000 0.550 110 T N 2.164 116.731 114.554 0.021 0.000 2.933 110 T HA 0.274 4.624 4.350 -0.001 0.000 0.306 110 T C -0.287 174.439 174.700 0.043 0.000 1.045 110 T CA -0.042 62.067 62.100 0.015 0.000 1.143 110 T CB 0.042 68.908 68.868 -0.002 0.000 1.003 110 T HN 0.398 nan 8.240 nan 0.000 0.540 111 V N 5.314 125.257 119.914 0.050 0.000 2.555 111 V HA 0.518 4.637 4.120 -0.001 0.000 0.302 111 V C -0.018 176.137 176.094 0.102 0.000 1.038 111 V CA -0.774 61.580 62.300 0.090 0.000 0.887 111 V CB 1.761 33.640 31.823 0.094 0.000 0.991 111 V HN 0.832 nan 8.190 nan 0.000 0.434 112 M N 4.523 124.213 119.600 0.151 0.000 2.259 112 M HA 0.586 5.065 4.480 -0.001 0.000 0.304 112 M C -1.348 175.209 176.300 0.429 0.000 1.019 112 M CA -0.685 54.736 55.300 0.202 0.000 0.922 112 M CB 2.306 34.905 32.600 -0.003 0.000 1.600 112 M HN 0.342 nan 8.290 nan 0.000 0.433 113 V N 2.993 123.203 119.914 0.493 0.000 2.378 113 V HA 0.359 4.478 4.120 -0.001 0.000 0.288 113 V C -0.860 175.513 176.094 0.464 0.000 1.016 113 V CA -0.618 61.934 62.300 0.419 0.000 0.840 113 V CB 1.647 33.589 31.823 0.197 0.000 0.994 113 V HN 0.866 nan 8.190 nan 0.000 0.431 114 W N 6.956 128.320 121.300 0.105 0.000 2.351 114 W HA 0.641 5.301 4.660 -0.001 0.000 0.311 114 W C -1.338 175.062 176.519 -0.199 0.000 1.168 114 W CA -0.760 56.385 57.345 -0.334 0.000 1.200 114 W CB 1.250 30.536 29.460 -0.290 0.000 1.221 114 W HN 0.436 nan 8.180 nan 0.000 0.519 115 I N 9.089 129.037 120.570 -1.037 0.000 2.390 115 I HA 0.062 4.231 4.170 -0.001 0.000 0.283 115 I C -0.258 175.104 176.117 -1.259 0.000 1.016 115 I CA -1.114 59.665 61.300 -0.869 0.000 1.151 115 I CB 0.690 38.345 38.000 -0.574 0.000 1.293 115 I HN 0.300 nan 8.210 nan 0.000 0.458 116 Y N 4.673 124.501 120.300 -0.786 0.000 2.457 116 Y HA 0.628 5.177 4.550 -0.001 0.000 0.341 116 Y C 0.751 176.491 175.900 -0.266 0.000 1.240 116 Y CA -0.770 56.990 58.100 -0.567 0.000 1.437 116 Y CB -0.065 38.313 38.460 -0.136 0.000 1.328 116 Y HN 0.516 nan 8.280 nan 0.000 0.588 117 G N -0.684 108.153 108.800 0.061 0.000 2.583 117 G HA2 0.499 4.459 3.960 -0.001 0.000 0.280 117 G HA3 0.499 4.459 3.960 -0.001 0.000 0.280 117 G C 0.251 175.124 174.900 -0.046 0.000 1.376 117 G CA -0.932 44.133 45.100 -0.059 0.000 1.043 117 G HN 1.713 nan 8.290 nan 0.000 0.538 118 G N -2.855 105.756 108.800 -0.315 0.000 2.321 118 G HA2 0.417 4.376 3.960 -0.001 0.000 0.219 118 G HA3 0.417 4.376 3.960 -0.001 0.000 0.219 118 G C 1.006 175.405 174.900 -0.834 0.000 1.057 118 G CA 0.712 45.498 45.100 -0.524 0.000 0.849 118 G HN 2.288 nan 8.290 nan 0.000 0.520 119 G N -0.454 107.864 108.800 -0.803 0.000 2.233 119 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.270 119 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.270 119 G C 0.944 175.652 174.900 -0.321 0.000 1.011 119 G CA 0.828 45.324 45.100 -1.007 0.000 0.762 119 G HN 1.725 nan 8.290 nan 0.000 0.511 120 F N -3.501 116.375 119.950 -0.123 0.000 2.825 120 F HA -0.324 4.202 4.527 -0.001 0.000 0.358 120 F C 1.503 177.405 175.800 0.171 0.000 0.639 120 F CA 2.270 60.297 58.000 0.045 0.000 1.153 120 F CB -2.008 36.898 39.000 -0.157 0.000 1.610 120 F HN 0.900 nan 8.300 nan 0.000 0.305 121 Y N -0.939 119.430 120.300 0.116 0.000 2.481 121 Y HA 0.661 5.211 4.550 -0.001 0.000 0.247 121 Y C 0.620 176.600 175.900 0.132 0.000 1.151 121 Y CA 0.241 58.422 58.100 0.135 0.000 1.238 121 Y CB -0.028 38.411 38.460 -0.035 0.000 1.179 121 Y HN 0.085 nan 8.280 nan 0.000 0.524 122 S N -0.835 114.680 115.700 -0.309 0.000 2.727 122 S HA 0.895 5.364 4.470 -0.001 0.000 0.278 122 S C -0.228 174.231 174.600 -0.235 0.000 1.186 122 S CA -0.529 57.535 58.200 -0.227 0.000 0.836 122 S CB 1.461 64.452 63.200 -0.349 0.000 1.186 122 S HN 1.289 nan 8.310 nan 0.000 0.499 123 G N -0.362 108.273 108.800 -0.274 0.000 2.402 123 G HA2 0.426 4.386 3.960 -0.001 0.000 0.666 123 G HA3 0.426 4.386 3.960 -0.001 0.000 0.666 123 G C -1.063 173.257 174.900 -0.967 0.000 1.402 123 G CA -0.327 44.463 45.100 -0.516 0.000 0.920 123 G HN 1.345 nan 8.290 nan 0.000 0.651 124 S N -0.872 114.205 115.700 -1.038 0.000 2.541 124 S HA 0.691 5.161 4.470 -0.001 0.000 0.271 124 S C 0.930 175.308 174.600 -0.370 0.000 1.133 124 S CA 0.090 57.858 58.200 -0.719 0.000 0.876 124 S CB 1.810 64.818 63.200 -0.321 0.000 1.105 124 S HN 1.959 nan 8.310 nan 0.000 0.470 125 S N -0.143 115.553 115.700 -0.007 0.000 2.558 125 S HA -0.041 4.429 4.470 -0.001 0.000 0.217 125 S C 1.313 176.014 174.600 0.169 0.000 0.975 125 S CA 0.811 59.230 58.200 0.366 0.000 0.912 125 S CB -0.572 62.895 63.200 0.446 0.000 0.776 125 S HN 0.839 nan 8.310 nan 0.000 0.526 126 T N 0.056 114.502 114.554 -0.180 0.000 3.105 126 T HA 0.414 4.763 4.350 -0.001 0.000 0.253 126 T C 0.460 174.891 174.700 -0.449 0.000 1.047 126 T CA -0.571 61.112 62.100 -0.695 0.000 0.944 126 T CB -0.579 67.711 68.868 -0.964 0.000 1.016 126 T HN 0.320 nan 8.240 nan 0.000 0.544 127 L N 2.007 123.059 121.223 -0.284 0.000 2.483 127 L HA 0.177 4.516 4.340 -0.001 0.000 0.276 127 L C 1.305 177.960 176.870 -0.358 0.000 1.213 127 L CA -0.535 54.060 54.840 -0.408 0.000 0.843 127 L CB 0.343 41.961 42.059 -0.735 0.000 1.107 127 L HN 0.066 nan 8.230 nan 0.000 0.487 128 D N 1.223 121.437 120.400 -0.311 0.000 2.182 128 D HA -0.141 4.499 4.640 -0.001 0.000 0.201 128 D C 1.972 178.090 176.300 -0.304 0.000 0.986 128 D CA 1.332 55.205 54.000 -0.213 0.000 0.847 128 D CB -0.018 40.672 40.800 -0.183 0.000 0.942 128 D HN 0.537 nan 8.370 nan 0.000 0.467 129 V N -1.372 118.218 119.914 -0.539 0.000 3.141 129 V HA -0.142 3.977 4.120 -0.001 0.000 0.265 129 V C 1.205 176.876 176.094 -0.704 0.000 1.126 129 V CA 0.980 62.933 62.300 -0.577 0.000 1.141 129 V CB -1.069 30.325 31.823 -0.714 0.000 0.743 129 V HN 0.053 nan 8.190 nan 0.000 0.492 130 Y N 0.098 119.967 120.300 -0.718 0.000 2.524 130 Y HA 0.431 4.980 4.550 -0.001 0.000 0.266 130 Y C 1.091 176.613 175.900 -0.630 0.000 1.180 130 Y CA -1.790 55.595 58.100 -1.192 0.000 1.244 130 Y CB -1.025 37.041 38.460 -0.656 0.000 1.125 130 Y HN 0.253 nan 8.280 nan 0.000 0.524 131 N N 1.534 120.110 118.700 -0.207 0.000 2.429 131 N HA -0.034 4.706 4.740 -0.001 0.000 0.271 131 N C 1.325 176.566 175.510 -0.449 0.000 1.272 131 N CA 0.634 53.571 53.050 -0.189 0.000 0.921 131 N CB 1.101 39.556 38.487 -0.053 0.000 1.128 131 N HN 0.491 nan 8.380 nan 0.000 0.481 132 G N 3.376 111.340 108.800 -1.392 0.000 2.848 132 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.208 132 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.208 132 G C 1.451 175.701 174.900 -1.083 0.000 1.152 132 G CA 0.364 44.761 45.100 -1.172 0.000 0.789 132 G HN 0.748 nan 8.290 nan 0.000 0.531 133 K N -0.327 119.297 120.400 -1.293 0.000 2.057 133 K HA -0.167 4.153 4.320 -0.001 0.000 0.207 133 K C 1.796 178.179 176.600 -0.361 0.000 1.049 133 K CA 1.205 57.086 56.287 -0.677 0.000 0.931 133 K CB -0.571 31.606 32.500 -0.538 0.000 0.714 133 K HN 0.301 nan 8.250 nan 0.000 0.440 134 Y N 1.290 121.520 120.300 -0.116 0.000 2.145 134 Y HA -0.160 4.390 4.550 -0.001 0.000 0.286 134 Y C 2.404 178.302 175.900 -0.004 0.000 1.145 134 Y CA 0.909 59.001 58.100 -0.014 0.000 1.148 134 Y CB -0.727 37.699 38.460 -0.057 0.000 0.981 134 Y HN 0.054 nan 8.280 nan 0.000 0.507 135 L N 0.199 121.454 121.223 0.053 0.000 2.056 135 L HA -0.042 4.298 4.340 -0.001 0.000 0.207 135 L C 2.337 179.215 176.870 0.014 0.000 1.078 135 L CA 1.882 56.705 54.840 -0.028 0.000 0.749 135 L CB -1.187 40.767 42.059 -0.176 0.000 0.901 135 L HN 0.139 nan 8.230 nan 0.000 0.433 136 A N -1.366 121.476 122.820 0.037 0.000 1.902 136 A HA -0.274 4.045 4.320 -0.001 0.000 0.217 136 A C 2.293 179.968 177.584 0.152 0.000 1.181 136 A CA 1.854 53.964 52.037 0.122 0.000 0.623 136 A CB -1.147 17.982 19.000 0.214 0.000 0.818 136 A HN 0.619 nan 8.150 nan 0.000 0.443 137 Y N 1.256 121.578 120.300 0.036 0.000 2.109 137 Y HA -0.155 4.395 4.550 -0.001 0.000 0.285 137 Y C 2.654 178.580 175.900 0.043 0.000 1.131 137 Y CA 2.338 60.465 58.100 0.045 0.000 1.121 137 Y CB -0.876 37.598 38.460 0.023 0.000 0.987 137 Y HN 0.294 nan 8.280 nan 0.000 0.495 138 T N 0.514 115.005 114.554 -0.105 0.000 2.746 138 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 138 T C 1.343 175.960 174.700 -0.138 0.000 1.039 138 T CA 1.751 63.727 62.100 -0.207 0.000 1.142 138 T CB -0.141 68.703 68.868 -0.041 0.000 0.866 138 T HN 0.330 nan 8.240 nan 0.000 0.444 139 E N 0.325 120.500 120.200 -0.042 0.000 2.474 139 E HA 0.140 4.490 4.350 -0.001 0.000 0.195 139 E C 0.296 176.904 176.600 0.012 0.000 1.039 139 E CA 0.006 56.413 56.400 0.011 0.000 0.881 139 E CB 0.157 29.882 29.700 0.042 0.000 0.970 139 E HN 0.540 nan 8.360 nan 0.000 0.486 140 E N 0.166 120.364 120.200 -0.003 0.000 2.320 140 E HA -0.172 4.178 4.350 -0.001 0.000 0.234 140 E C -0.572 176.065 176.600 0.062 0.000 1.183 140 E CA 0.439 56.857 56.400 0.031 0.000 0.713 140 E CB -1.280 28.428 29.700 0.014 0.000 1.226 140 E HN 0.149 nan 8.360 nan 0.000 0.382 141 V N -3.219 116.742 119.914 0.078 0.000 2.919 141 V HA 0.749 4.869 4.120 -0.001 0.000 0.316 141 V C 0.445 176.625 176.094 0.143 0.000 1.077 141 V CA -0.963 61.390 62.300 0.088 0.000 0.977 141 V CB 2.202 34.060 31.823 0.059 0.000 1.039 141 V HN -0.051 nan 8.190 nan 0.000 0.441 142 V N 4.363 124.369 119.914 0.153 0.000 2.408 142 V HA 0.299 4.418 4.120 -0.001 0.000 0.267 142 V C 0.005 176.239 176.094 0.233 0.000 1.047 142 V CA -0.295 62.128 62.300 0.205 0.000 0.937 142 V CB 1.039 32.969 31.823 0.178 0.000 0.999 142 V HN 0.768 nan 8.190 nan 0.000 0.472 143 L N 7.785 129.203 121.223 0.325 0.000 2.272 143 L HA 0.610 4.949 4.340 -0.001 0.000 0.289 143 L C -0.545 176.630 176.870 0.508 0.000 1.032 143 L CA 0.036 55.116 54.840 0.400 0.000 0.810 143 L CB 1.709 43.992 42.059 0.374 0.000 1.205 143 L HN 0.392 nan 8.230 nan 0.000 0.422 144 V N 3.985 124.163 119.914 0.441 0.000 2.513 144 V HA 0.554 4.673 4.120 -0.001 0.000 0.299 144 V C 0.077 176.452 176.094 0.469 0.000 1.035 144 V CA -0.586 61.945 62.300 0.385 0.000 0.889 144 V CB 2.056 34.019 31.823 0.232 0.000 0.988 144 V HN 0.909 nan 8.190 nan 0.000 0.440 145 S N 4.851 120.836 115.700 0.475 0.000 2.552 145 S HA 0.811 5.280 4.470 -0.001 0.000 0.314 145 S C -0.750 174.041 174.600 0.318 0.000 1.099 145 S CA -0.783 57.711 58.200 0.489 0.000 1.070 145 S CB 1.471 65.073 63.200 0.671 0.000 0.998 145 S HN 0.675 nan 8.310 nan 0.000 0.474 146 L N 1.068 122.409 121.223 0.197 0.000 2.544 146 L HA 0.992 5.332 4.340 -0.001 0.000 0.256 146 L C 0.183 177.195 176.870 0.237 0.000 1.097 146 L CA -0.626 54.285 54.840 0.118 0.000 0.812 146 L CB 0.078 42.075 42.059 -0.105 0.000 1.440 146 L HN 0.888 nan 8.230 nan 0.000 0.496 147 S N -1.676 114.220 115.700 0.326 0.000 2.651 147 S HA 0.893 5.363 4.470 -0.001 0.000 0.279 147 S C -1.295 173.574 174.600 0.448 0.000 1.148 147 S CA -0.455 57.983 58.200 0.397 0.000 0.837 147 S CB 1.570 65.049 63.200 0.465 0.000 1.138 147 S HN 1.296 nan 8.310 nan 0.000 0.478 148 Y N -1.776 118.642 120.300 0.196 0.000 2.604 148 Y HA 0.665 5.215 4.550 -0.001 0.000 0.331 148 Y C -0.892 175.135 175.900 0.212 0.000 1.158 148 Y CA -1.361 56.843 58.100 0.173 0.000 1.056 148 Y CB 0.596 39.107 38.460 0.085 0.000 1.330 148 Y HN 0.801 nan 8.280 nan 0.000 0.457 149 R N 1.852 122.480 120.500 0.213 0.000 2.537 149 R HA 0.543 4.882 4.340 -0.001 0.000 0.280 149 R C -0.191 176.265 176.300 0.260 0.000 1.058 149 R CA -0.146 56.040 56.100 0.142 0.000 1.057 149 R CB 0.898 31.256 30.300 0.097 0.000 0.973 149 R HN 0.690 nan 8.270 nan 0.000 0.438 150 V N -0.178 119.916 119.914 0.301 0.000 3.158 150 V HA 0.890 5.010 4.120 -0.001 0.000 0.315 150 V C 0.733 177.164 176.094 0.561 0.000 1.148 150 V CA -0.168 62.440 62.300 0.514 0.000 1.042 150 V CB 1.161 33.179 31.823 0.326 0.000 1.101 150 V HN 0.972 nan 8.190 nan 0.000 0.448 151 G N 0.390 109.564 108.800 0.622 0.000 2.601 151 G HA2 0.030 3.989 3.960 -0.001 0.000 0.261 151 G HA3 0.030 3.989 3.960 -0.001 0.000 0.261 151 G C 1.016 176.129 174.900 0.355 0.000 1.289 151 G CA 0.976 46.392 45.100 0.528 0.000 0.920 151 G HN 2.226 nan 8.290 nan 0.000 0.571 152 A N -1.296 121.440 122.820 -0.139 0.000 1.940 152 A HA 0.157 4.476 4.320 -0.001 0.000 0.219 152 A C 2.240 179.699 177.584 -0.209 0.000 1.176 152 A CA 2.622 54.207 52.037 -0.753 0.000 0.631 152 A CB -0.550 17.795 19.000 -1.091 0.000 0.814 152 A HN 1.011 nan 8.150 nan 0.000 0.446 153 F N -0.044 119.968 119.950 0.104 0.000 2.202 153 F HA -0.041 4.485 4.527 -0.001 0.000 0.301 153 F C 2.393 178.206 175.800 0.022 0.000 1.082 153 F CA 1.184 59.215 58.000 0.052 0.000 1.313 153 F CB -0.530 38.451 39.000 -0.032 0.000 1.024 153 F HN 0.300 nan 8.300 nan 0.000 0.495 154 G N -2.630 106.252 108.800 0.136 0.000 2.944 154 G HA2 0.102 4.061 3.960 -0.001 0.000 0.220 154 G HA3 0.102 4.061 3.960 -0.001 0.000 0.220 154 G C 0.708 175.111 174.900 -0.828 0.000 1.100 154 G CA 0.069 44.983 45.100 -0.310 0.000 0.780 154 G HN 0.324 nan 8.290 nan 0.000 0.539 155 F N -0.421 119.622 119.950 0.156 0.000 2.899 155 F HA 0.427 4.953 4.527 -0.001 0.000 0.337 155 F C 0.368 176.219 175.800 0.085 0.000 1.129 155 F CA -1.017 57.053 58.000 0.118 0.000 1.128 155 F CB 0.392 39.487 39.000 0.159 0.000 1.154 155 F HN -0.081 nan 8.300 nan 0.000 0.531 156 L N 2.252 123.462 121.223 -0.021 0.000 2.559 156 L HA 0.454 4.793 4.340 -0.001 0.000 0.274 156 L C 0.122 176.943 176.870 -0.081 0.000 1.205 156 L CA 0.268 54.970 54.840 -0.230 0.000 0.907 156 L CB 0.367 41.978 42.059 -0.746 0.000 1.153 156 L HN 0.153 nan 8.230 nan 0.000 0.490 157 A N 6.945 129.776 122.820 0.018 0.000 2.375 157 A HA 0.620 4.939 4.320 -0.001 0.000 0.291 157 A C -0.883 176.714 177.584 0.022 0.000 1.160 157 A CA -0.492 51.565 52.037 0.034 0.000 0.747 157 A CB 0.693 19.750 19.000 0.095 0.000 1.170 157 A HN 0.704 nan 8.150 nan 0.000 0.458 158 L N 3.618 124.842 121.223 0.002 0.000 2.435 158 L HA 0.244 4.584 4.340 -0.001 0.000 0.253 158 L C 0.021 176.922 176.870 0.051 0.000 1.087 158 L CA -0.768 54.078 54.840 0.009 0.000 0.950 158 L CB 0.384 42.415 42.059 -0.045 0.000 1.304 158 L HN 0.896 nan 8.230 nan 0.000 0.453 159 H N 1.923 120.993 119.070 0.000 0.000 3.094 159 H HA 0.253 4.809 4.556 -0.001 0.000 0.320 159 H C 1.150 176.484 175.328 0.010 0.000 1.000 159 H CA 1.471 57.526 56.048 0.012 0.000 1.413 159 H CB 0.793 30.567 29.762 0.020 0.000 1.405 159 H HN 0.700 nan 8.280 nan 0.000 0.586 160 G N 2.756 111.229 108.800 -0.544 0.000 2.238 160 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.217 160 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.217 160 G C 0.308 175.105 174.900 -0.171 0.000 0.996 160 G CA 0.190 45.061 45.100 -0.381 0.000 0.632 160 G HN 0.894 nan 8.290 nan 0.000 0.503 161 S N -0.271 115.364 115.700 -0.108 0.000 2.565 161 S HA 0.643 5.113 4.470 -0.001 0.000 0.290 161 S C 0.981 175.566 174.600 -0.026 0.000 1.150 161 S CA -0.133 58.037 58.200 -0.049 0.000 1.058 161 S CB 1.624 64.807 63.200 -0.029 0.000 1.032 161 S HN 0.138 nan 8.310 nan 0.000 0.510 162 Q N 1.666 121.462 119.800 -0.007 0.000 2.384 162 Q HA 0.204 4.543 4.340 -0.001 0.000 0.207 162 Q C 1.047 177.066 176.000 0.031 0.000 0.904 162 Q CA 0.374 56.184 55.803 0.012 0.000 0.933 162 Q CB 0.151 28.895 28.738 0.011 0.000 1.077 162 Q HN 0.682 nan 8.270 nan 0.000 0.522 163 E N 0.520 120.741 120.200 0.035 0.000 2.158 163 E HA 0.074 4.424 4.350 -0.001 0.000 0.191 163 E C 0.120 176.773 176.600 0.089 0.000 0.982 163 E CA 0.549 56.987 56.400 0.063 0.000 0.823 163 E CB 0.485 30.224 29.700 0.066 0.000 0.766 163 E HN 0.128 nan 8.360 nan 0.000 0.468 164 A N 1.423 124.269 122.820 0.043 0.000 3.300 164 A HA 0.279 4.598 4.320 -0.001 0.000 0.300 164 A C -2.080 175.507 177.584 0.005 0.000 1.099 164 A CA -0.847 51.201 52.037 0.018 0.000 0.846 164 A CB 0.688 19.607 19.000 -0.135 0.000 1.255 164 A HN -0.115 nan 8.150 nan 0.000 0.519 165 P HA 0.137 nan 4.420 nan 0.000 0.225 165 P C 0.910 178.263 177.300 0.088 0.000 1.156 165 P CA 1.816 64.956 63.100 0.066 0.000 0.787 165 P CB 0.247 31.989 31.700 0.070 0.000 0.802 166 G N 0.516 109.349 108.800 0.055 0.000 2.663 166 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.686 166 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.686 166 G C -0.126 174.793 174.900 0.031 0.000 1.288 166 G CA -0.270 44.869 45.100 0.064 0.000 0.836 166 G HN 0.115 nan 8.290 nan 0.000 0.584 167 N N -2.402 116.324 118.700 0.044 0.000 2.732 167 N HA -0.286 4.453 4.740 -0.001 0.000 0.250 167 N C 1.948 177.337 175.510 -0.201 0.000 1.097 167 N CA 2.562 55.576 53.050 -0.060 0.000 0.812 167 N CB -1.617 36.771 38.487 -0.165 0.000 1.148 167 N HN 1.919 nan 8.380 nan 0.000 0.572 168 V N -2.903 116.877 119.914 -0.223 0.000 2.594 168 V HA 0.007 4.126 4.120 -0.001 0.000 0.253 168 V C 2.278 178.251 176.094 -0.201 0.000 1.069 168 V CA 2.260 64.469 62.300 -0.151 0.000 1.082 168 V CB -0.870 30.911 31.823 -0.069 0.000 0.680 168 V HN 0.280 nan 8.190 nan 0.000 0.469 169 G N 0.342 108.817 108.800 -0.542 0.000 2.408 169 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.217 169 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.217 169 G C 1.536 176.436 174.900 0.001 0.000 1.150 169 G CA 1.028 45.958 45.100 -0.284 0.000 0.776 169 G HN 0.527 nan 8.290 nan 0.000 0.542 170 L N -0.111 121.078 121.223 -0.057 0.000 2.093 170 L HA 0.072 4.412 4.340 -0.001 0.000 0.208 170 L C 2.799 179.740 176.870 0.117 0.000 1.085 170 L CA 0.434 55.233 54.840 -0.067 0.000 0.755 170 L CB -0.267 41.454 42.059 -0.563 0.000 0.904 170 L HN 0.180 nan 8.230 nan 0.000 0.435 171 L N -0.679 120.599 121.223 0.092 0.000 2.141 171 L HA -0.190 4.150 4.340 -0.001 0.000 0.209 171 L C 2.104 179.071 176.870 0.162 0.000 1.094 171 L CA 0.729 55.680 54.840 0.185 0.000 0.763 171 L CB -0.592 41.551 42.059 0.140 0.000 0.908 171 L HN 0.267 nan 8.230 nan 0.000 0.437 172 D N 0.039 120.532 120.400 0.155 0.000 2.117 172 D HA -0.193 4.447 4.640 -0.001 0.000 0.197 172 D C 2.293 178.694 176.300 0.169 0.000 0.987 172 D CA 1.180 55.336 54.000 0.259 0.000 0.829 172 D CB -0.137 40.851 40.800 0.313 0.000 0.961 172 D HN 0.403 nan 8.370 nan 0.000 0.460 173 Q N 0.123 119.974 119.800 0.084 0.000 2.084 173 Q HA -0.116 4.223 4.340 -0.001 0.000 0.202 173 Q C 2.278 178.194 176.000 -0.140 0.000 0.978 173 Q CA 0.926 56.689 55.803 -0.068 0.000 0.844 173 Q CB -0.049 28.662 28.738 -0.045 0.000 0.898 173 Q HN 0.197 nan 8.270 nan 0.000 0.426 174 R N 0.728 121.230 120.500 0.003 0.000 2.081 174 R HA -0.140 4.199 4.340 -0.001 0.000 0.235 174 R C 2.207 178.490 176.300 -0.029 0.000 1.131 174 R CA 1.455 57.535 56.100 -0.032 0.000 0.960 174 R CB -0.171 30.215 30.300 0.144 0.000 0.856 174 R HN 0.276 nan 8.270 nan 0.000 0.436 175 M N 0.047 119.664 119.600 0.029 0.000 2.159 175 M HA -0.116 4.364 4.480 -0.001 0.000 0.263 175 M C 2.107 178.375 176.300 -0.053 0.000 1.063 175 M CA 1.975 57.321 55.300 0.077 0.000 1.110 175 M CB -0.049 32.692 32.600 0.234 0.000 1.374 175 M HN 0.325 nan 8.290 nan 0.000 0.411 176 A N 0.365 122.917 122.820 -0.447 0.000 1.930 176 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 176 A C 1.977 179.443 177.584 -0.198 0.000 1.175 176 A CA 1.329 52.924 52.037 -0.737 0.000 0.627 176 A CB -0.949 17.334 19.000 -1.194 0.000 0.815 176 A HN 0.582 nan 8.150 nan 0.000 0.443 177 L N -1.042 120.088 121.223 -0.156 0.000 2.141 177 L HA -0.208 4.131 4.340 -0.001 0.000 0.209 177 L C 2.812 179.720 176.870 0.063 0.000 1.094 177 L CA 1.605 56.419 54.840 -0.043 0.000 0.763 177 L CB -0.423 41.571 42.059 -0.109 0.000 0.908 177 L HN 0.490 nan 8.230 nan 0.000 0.437 178 Q N -0.347 119.487 119.800 0.057 0.000 2.079 178 Q HA -0.244 4.096 4.340 -0.001 0.000 0.200 178 Q C 2.007 178.109 176.000 0.170 0.000 0.974 178 Q CA 1.803 57.662 55.803 0.094 0.000 0.840 178 Q CB -0.415 28.369 28.738 0.076 0.000 0.898 178 Q HN 0.466 nan 8.270 nan 0.000 0.430 179 W N -0.707 120.609 121.300 0.027 0.000 2.358 179 W HA -0.153 4.507 4.660 -0.001 0.000 0.303 179 W C 1.841 178.402 176.519 0.070 0.000 1.208 179 W CA 1.655 59.039 57.345 0.064 0.000 1.274 179 W CB -0.190 29.306 29.460 0.060 0.000 1.138 179 W HN 0.006 nan 8.180 nan 0.000 0.515 180 V N 0.089 120.213 119.914 0.351 0.000 2.295 180 V HA -0.390 3.730 4.120 -0.001 0.000 0.246 180 V C 2.566 178.705 176.094 0.075 0.000 1.049 180 V CA 2.380 64.816 62.300 0.226 0.000 1.024 180 V CB -1.334 30.602 31.823 0.187 0.000 0.648 180 V HN 0.358 nan 8.190 nan 0.000 0.447 181 H N 0.324 119.400 119.070 0.009 0.000 2.319 181 H HA -0.185 4.371 4.556 -0.001 0.000 0.299 181 H C 2.009 177.280 175.328 -0.095 0.000 1.092 181 H CA 2.183 58.213 56.048 -0.030 0.000 1.302 181 H CB -0.070 29.686 29.762 -0.011 0.000 1.373 181 H HN 0.425 nan 8.280 nan 0.000 0.497 182 D N -0.084 120.302 120.400 -0.023 0.000 2.183 182 D HA -0.070 4.569 4.640 -0.001 0.000 0.203 182 D C 1.399 177.542 176.300 -0.262 0.000 0.969 182 D CA 0.779 54.700 54.000 -0.133 0.000 0.842 182 D CB -0.042 40.696 40.800 -0.103 0.000 0.957 182 D HN 0.476 nan 8.370 nan 0.000 0.484 183 N N -0.303 118.171 118.700 -0.375 0.000 2.193 183 N HA 0.038 4.777 4.740 -0.001 0.000 0.210 183 N C 1.475 176.924 175.510 -0.102 0.000 1.215 183 N CA -0.156 52.708 53.050 -0.310 0.000 0.901 183 N CB 1.020 38.984 38.487 -0.873 0.000 1.060 183 N HN 0.033 nan 8.380 nan 0.000 0.508 184 I N 3.100 123.620 120.570 -0.084 0.000 2.530 184 I HA -0.259 3.911 4.170 -0.001 0.000 0.257 184 I C 2.567 178.697 176.117 0.022 0.000 1.179 184 I CA 1.298 62.655 61.300 0.094 0.000 1.440 184 I CB -0.163 37.865 38.000 0.048 0.000 1.087 184 I HN 0.192 nan 8.210 nan 0.000 0.440 185 Q N -0.749 118.881 119.800 -0.284 0.000 2.234 185 Q HA -0.244 4.096 4.340 -0.001 0.000 0.206 185 Q C 1.846 177.602 176.000 -0.408 0.000 0.980 185 Q CA 1.728 57.290 55.803 -0.401 0.000 0.869 185 Q CB -0.850 27.513 28.738 -0.624 0.000 0.912 185 Q HN 0.423 nan 8.270 nan 0.000 0.436 186 F N -0.179 119.728 119.950 -0.072 0.000 2.502 186 F HA 0.090 4.617 4.527 -0.001 0.000 0.298 186 F C 0.979 176.561 175.800 -0.364 0.000 1.111 186 F CA 0.310 58.164 58.000 -0.243 0.000 1.445 186 F CB -0.096 38.679 39.000 -0.376 0.000 1.081 186 F HN 0.003 nan 8.300 nan 0.000 0.558 187 F N -0.633 119.323 119.950 0.010 0.000 2.664 187 F HA 0.416 4.943 4.527 -0.001 0.000 0.303 187 F C 1.802 177.615 175.800 0.021 0.000 1.092 187 F CA 0.346 58.334 58.000 -0.020 0.000 1.305 187 F CB -0.053 38.912 39.000 -0.058 0.000 1.054 187 F HN 0.039 nan 8.300 nan 0.000 0.565 188 G N 0.062 108.934 108.800 0.120 0.000 2.176 188 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.232 188 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.232 188 G C 0.640 175.583 174.900 0.070 0.000 0.986 188 G CA -0.298 44.852 45.100 0.084 0.000 0.643 188 G HN 0.715 nan 8.290 nan 0.000 0.522 189 G N -0.363 108.484 108.800 0.080 0.000 2.448 189 G HA2 0.485 4.445 3.960 -0.001 0.000 0.285 189 G HA3 0.485 4.445 3.960 -0.001 0.000 0.285 189 G C -0.739 174.150 174.900 -0.018 0.000 1.176 189 G CA 0.354 45.484 45.100 0.050 0.000 0.852 189 G HN 0.267 nan 8.290 nan 0.000 0.530 190 D N 1.489 121.879 120.400 -0.018 0.000 2.396 190 D HA 0.325 4.965 4.640 -0.001 0.000 0.225 190 D C -1.410 174.856 176.300 -0.056 0.000 1.121 190 D CA -2.417 51.553 54.000 -0.050 0.000 0.853 190 D CB 1.823 42.603 40.800 -0.033 0.000 1.043 190 D HN -0.002 nan 8.370 nan 0.000 0.500 191 P HA -0.096 nan 4.420 nan 0.000 0.223 191 P C 0.664 177.926 177.300 -0.063 0.000 1.144 191 P CA 0.941 63.960 63.100 -0.135 0.000 0.783 191 P CB 0.240 31.739 31.700 -0.335 0.000 0.771 192 K N -1.344 119.022 120.400 -0.056 0.000 2.418 192 K HA 0.084 4.404 4.320 -0.001 0.000 0.195 192 K C 0.171 176.765 176.600 -0.010 0.000 1.035 192 K CA 0.840 57.112 56.287 -0.026 0.000 1.003 192 K CB -0.057 32.420 32.500 -0.038 0.000 0.793 192 K HN 0.093 nan 8.250 nan 0.000 0.494 193 T N 1.338 115.888 114.554 -0.007 0.000 3.514 193 T HA 0.216 4.566 4.350 -0.001 0.000 0.259 193 T C -0.596 174.119 174.700 0.025 0.000 1.466 193 T CA -0.402 61.695 62.100 -0.005 0.000 1.562 193 T CB 0.705 69.557 68.868 -0.026 0.000 0.924 193 T HN -0.249 nan 8.240 nan 0.000 0.678 194 V N 2.172 122.129 119.914 0.072 0.000 2.370 194 V HA 0.428 4.548 4.120 -0.001 0.000 0.279 194 V C 0.410 176.601 176.094 0.163 0.000 1.029 194 V CA -0.433 61.941 62.300 0.122 0.000 0.870 194 V CB 1.448 33.371 31.823 0.166 0.000 0.984 194 V HN 0.538 nan 8.190 nan 0.000 0.451 195 T N 6.733 121.366 114.554 0.132 0.000 2.758 195 T HA 0.568 4.918 4.350 -0.001 0.000 0.285 195 T C -0.053 174.765 174.700 0.196 0.000 0.981 195 T CA -0.152 62.038 62.100 0.149 0.000 0.965 195 T CB 0.669 69.578 68.868 0.068 0.000 0.927 195 T HN 0.610 nan 8.240 nan 0.000 0.448 196 I N 1.813 122.465 120.570 0.135 0.000 2.396 196 I HA 0.849 5.018 4.170 -0.001 0.000 0.292 196 I C -0.778 175.504 176.117 0.275 0.000 0.999 196 I CA -0.949 60.416 61.300 0.108 0.000 1.310 196 I CB 0.829 38.664 38.000 -0.274 0.000 1.404 196 I HN 0.484 nan 8.210 nan 0.000 0.496 197 F N 3.075 123.057 119.950 0.053 0.000 2.601 197 F HA 1.000 5.526 4.527 -0.001 0.000 0.309 197 F C -0.454 175.326 175.800 -0.032 0.000 1.089 197 F CA -1.210 56.862 58.000 0.121 0.000 0.940 197 F CB 1.360 40.556 39.000 0.327 0.000 1.273 197 F HN 0.834 nan 8.300 nan 0.000 0.450 198 G N 1.121 109.806 108.800 -0.191 0.000 2.623 198 G HA2 0.492 4.451 3.960 -0.001 0.000 0.290 198 G HA3 0.492 4.451 3.960 -0.001 0.000 0.290 198 G C -2.539 172.163 174.900 -0.330 0.000 1.437 198 G CA -0.803 43.804 45.100 -0.822 0.000 0.798 198 G HN 0.864 nan 8.290 nan 0.000 0.488 199 E N 0.356 120.331 120.200 -0.375 0.000 2.238 199 E HA 0.622 4.972 4.350 -0.001 0.000 0.267 199 E C 0.697 177.253 176.600 -0.073 0.000 0.887 199 E CA 0.323 56.716 56.400 -0.011 0.000 0.769 199 E CB 2.077 31.927 29.700 0.249 0.000 1.187 199 E HN 0.895 nan 8.360 nan 0.000 0.416 200 S N 3.084 118.798 115.700 0.024 0.000 4.139 200 S HA -0.402 4.068 4.470 -0.001 0.000 0.603 200 S C 1.504 176.200 174.600 0.161 0.000 1.897 200 S CA 2.316 60.610 58.200 0.156 0.000 4.241 200 S CB -1.636 61.581 63.200 0.028 0.000 0.221 200 S HN 0.990 nan 8.310 nan 0.000 0.488 201 A N 1.062 123.880 122.820 -0.004 0.000 1.978 201 A HA 0.136 4.456 4.320 -0.001 0.000 0.220 201 A C 2.501 179.840 177.584 -0.408 0.000 1.170 201 A CA 2.493 54.317 52.037 -0.355 0.000 0.636 201 A CB -1.570 16.845 19.000 -0.977 0.000 0.810 201 A HN 1.617 nan 8.150 nan 0.000 0.448 202 G N -0.793 107.818 108.800 -0.314 0.000 2.408 202 G HA2 0.092 4.052 3.960 -0.001 0.000 0.217 202 G HA3 0.092 4.052 3.960 -0.001 0.000 0.217 202 G C 1.450 176.172 174.900 -0.296 0.000 1.150 202 G CA 1.135 46.005 45.100 -0.384 0.000 0.776 202 G HN 0.667 nan 8.290 nan 0.000 0.542 203 G N 0.981 109.669 108.800 -0.187 0.000 2.403 203 G HA2 0.120 4.079 3.960 -0.001 0.000 0.216 203 G HA3 0.120 4.079 3.960 -0.001 0.000 0.216 203 G C 2.015 176.819 174.900 -0.159 0.000 1.154 203 G CA 1.372 46.396 45.100 -0.127 0.000 0.784 203 G HN 0.572 nan 8.290 nan 0.000 0.538 204 A N 0.914 123.661 122.820 -0.121 0.000 1.902 204 A HA 0.009 4.329 4.320 -0.001 0.000 0.217 204 A C 2.695 180.214 177.584 -0.110 0.000 1.181 204 A CA 2.236 54.181 52.037 -0.153 0.000 0.623 204 A CB -0.679 18.264 19.000 -0.096 0.000 0.818 204 A HN 0.295 nan 8.150 nan 0.000 0.443 205 S N -0.426 115.227 115.700 -0.077 0.000 2.353 205 S HA -0.162 4.308 4.470 -0.001 0.000 0.222 205 S C 1.926 176.436 174.600 -0.151 0.000 1.035 205 S CA 1.499 59.629 58.200 -0.117 0.000 1.025 205 S CB -0.593 62.491 63.200 -0.193 0.000 0.902 205 S HN 0.345 nan 8.310 nan 0.000 0.440 206 V N 1.594 121.431 119.914 -0.129 0.000 2.282 206 V HA -0.224 3.896 4.120 -0.001 0.000 0.249 206 V C 2.590 178.628 176.094 -0.095 0.000 1.057 206 V CA 2.093 64.328 62.300 -0.109 0.000 1.032 206 V CB -1.467 30.274 31.823 -0.136 0.000 0.645 206 V HN 0.619 nan 8.190 nan 0.000 0.447 207 G N -1.313 107.378 108.800 -0.181 0.000 2.432 207 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.219 207 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.219 207 G C 1.589 176.478 174.900 -0.020 0.000 1.135 207 G CA 0.916 45.881 45.100 -0.226 0.000 0.767 207 G HN 0.459 nan 8.290 nan 0.000 0.550 208 M N -0.255 119.343 119.600 -0.004 0.000 2.254 208 M HA 0.034 4.514 4.480 -0.001 0.000 0.265 208 M C 2.218 178.618 176.300 0.166 0.000 1.066 208 M CA 0.809 56.232 55.300 0.205 0.000 1.123 208 M CB -0.156 32.568 32.600 0.206 0.000 1.388 208 M HN 0.175 nan 8.290 nan 0.000 0.425 209 H N -0.275 118.919 119.070 0.205 0.000 2.470 209 H HA 0.071 4.627 4.556 -0.001 0.000 0.289 209 H C 2.062 177.597 175.328 0.345 0.000 1.033 209 H CA 1.166 57.334 56.048 0.200 0.000 1.331 209 H CB -0.118 29.659 29.762 0.026 0.000 1.414 209 H HN 0.408 nan 8.280 nan 0.000 0.545 210 I N 0.348 121.185 120.570 0.446 0.000 2.315 210 I HA -0.223 3.947 4.170 -0.001 0.000 0.248 210 I C 2.156 178.510 176.117 0.395 0.000 1.117 210 I CA 0.801 62.408 61.300 0.512 0.000 1.404 210 I CB -0.037 38.212 38.000 0.416 0.000 1.071 210 I HN 0.113 nan 8.210 nan 0.000 0.419 211 L N -0.549 120.875 121.223 0.333 0.000 2.068 211 L HA -0.050 4.289 4.340 -0.001 0.000 0.204 211 L C 1.567 178.545 176.870 0.180 0.000 1.076 211 L CA 0.368 55.401 54.840 0.323 0.000 0.753 211 L CB -0.370 41.916 42.059 0.378 0.000 0.910 211 L HN 0.067 nan 8.230 nan 0.000 0.439 212 S N 0.288 116.007 115.700 0.033 0.000 2.509 212 S HA 0.066 4.535 4.470 -0.001 0.000 0.287 212 S C -1.476 172.999 174.600 -0.208 0.000 1.248 212 S CA -1.277 56.744 58.200 -0.299 0.000 1.089 212 S CB 0.774 63.334 63.200 -1.066 0.000 0.900 212 S HN -0.070 nan 8.310 nan 0.000 0.496 213 P HA -0.082 nan 4.420 nan 0.000 0.217 213 P C 1.358 178.570 177.300 -0.146 0.000 1.151 213 P CA 1.239 64.267 63.100 -0.119 0.000 0.849 213 P CB -0.088 31.550 31.700 -0.104 0.000 0.787 214 G N -1.873 106.789 108.800 -0.230 0.000 2.776 214 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.209 214 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.209 214 G C 1.297 176.108 174.900 -0.147 0.000 1.145 214 G CA 0.467 45.449 45.100 -0.196 0.000 0.791 214 G HN 0.230 nan 8.290 nan 0.000 0.530 215 S N -0.696 114.939 115.700 -0.109 0.000 2.575 215 S HA 0.129 4.598 4.470 -0.001 0.000 0.230 215 S C 2.162 176.840 174.600 0.131 0.000 1.062 215 S CA -0.476 57.762 58.200 0.063 0.000 0.913 215 S CB 0.267 63.635 63.200 0.280 0.000 0.837 215 S HN 0.322 nan 8.310 nan 0.000 0.487 216 R N 1.973 122.493 120.500 0.033 0.000 2.140 216 R HA -0.151 4.189 4.340 -0.001 0.000 0.250 216 R C 0.880 176.968 176.300 -0.354 0.000 1.150 216 R CA 1.862 57.877 56.100 -0.142 0.000 0.966 216 R CB -0.509 29.733 30.300 -0.097 0.000 0.869 216 R HN 0.306 nan 8.270 nan 0.000 0.445 217 D N 0.373 120.646 120.400 -0.211 0.000 2.348 217 D HA -0.046 4.594 4.640 -0.001 0.000 0.216 217 D C 1.478 177.646 176.300 -0.221 0.000 0.970 217 D CA 0.725 54.592 54.000 -0.221 0.000 0.889 217 D CB 0.011 40.707 40.800 -0.173 0.000 0.912 217 D HN 0.262 nan 8.370 nan 0.000 0.524 218 L N -0.303 120.837 121.223 -0.139 0.000 2.599 218 L HA 0.123 4.462 4.340 -0.001 0.000 0.230 218 L C 0.066 177.059 176.870 0.205 0.000 1.141 218 L CA 0.054 54.889 54.840 -0.007 0.000 0.877 218 L CB -0.381 41.714 42.059 0.059 0.000 1.009 218 L HN -0.034 nan 8.230 nan 0.000 0.447 219 F N -4.336 115.623 119.950 0.015 0.000 2.711 219 F HA 0.572 5.098 4.527 -0.001 0.000 0.313 219 F C 0.464 176.291 175.800 0.044 0.000 1.141 219 F CA -1.376 56.650 58.000 0.042 0.000 0.941 219 F CB 1.133 40.157 39.000 0.039 0.000 1.349 219 F HN -0.420 nan 8.300 nan 0.000 0.464 220 R N 0.549 121.149 120.500 0.166 0.000 2.103 220 R HA 0.484 4.823 4.340 -0.001 0.000 0.212 220 R C -0.018 176.350 176.300 0.113 0.000 1.107 220 R CA 0.979 57.105 56.100 0.042 0.000 1.025 220 R CB 0.296 30.614 30.300 0.030 0.000 0.929 220 R HN 0.787 nan 8.270 nan 0.000 0.456 221 R N -1.546 119.115 120.500 0.269 0.000 2.831 221 R HA 0.752 5.091 4.340 -0.001 0.000 0.266 221 R C -1.587 174.946 176.300 0.389 0.000 1.051 221 R CA -0.695 55.560 56.100 0.257 0.000 0.943 221 R CB 2.211 32.485 30.300 -0.043 0.000 1.228 221 R HN 0.187 nan 8.270 nan 0.000 0.467 222 A N 1.151 124.199 122.820 0.379 0.000 2.515 222 A HA 0.713 5.032 4.320 -0.001 0.000 0.298 222 A C -1.265 176.438 177.584 0.199 0.000 1.059 222 A CA -0.607 51.584 52.037 0.257 0.000 0.698 222 A CB 1.309 20.416 19.000 0.178 0.000 1.289 222 A HN 0.550 nan 8.150 nan 0.000 0.404 223 I N 1.665 122.308 120.570 0.121 0.000 2.466 223 I HA 0.396 4.566 4.170 -0.001 0.000 0.289 223 I C -1.485 174.680 176.117 0.079 0.000 1.026 223 I CA -0.610 60.690 61.300 0.001 0.000 1.078 223 I CB 1.911 39.883 38.000 -0.048 0.000 1.249 223 I HN 0.428 nan 8.210 nan 0.000 0.429 224 L N 6.593 127.831 121.223 0.025 0.000 2.343 224 L HA 0.445 4.784 4.340 -0.001 0.000 0.278 224 L C -0.503 176.447 176.870 0.134 0.000 0.996 224 L CA -0.252 54.606 54.840 0.030 0.000 0.831 224 L CB 1.588 43.590 42.059 -0.095 0.000 1.232 224 L HN 0.492 nan 8.230 nan 0.000 0.413 225 Q N 1.851 121.784 119.800 0.222 0.000 2.348 225 Q HA 0.478 4.818 4.340 -0.001 0.000 0.265 225 Q C 0.065 176.195 176.000 0.218 0.000 0.998 225 Q CA -0.552 55.455 55.803 0.341 0.000 0.831 225 Q CB 1.499 30.546 28.738 0.516 0.000 1.251 225 Q HN 0.643 nan 8.270 nan 0.000 0.456 226 S N 0.998 116.817 115.700 0.198 0.000 3.614 226 S HA -0.175 4.294 4.470 -0.001 0.000 0.360 226 S C 0.027 174.786 174.600 0.265 0.000 1.023 226 S CA 0.606 58.946 58.200 0.234 0.000 1.114 226 S CB -1.134 62.226 63.200 0.266 0.000 0.907 226 S HN 0.948 nan 8.310 nan 0.000 0.470 227 G N -0.691 108.194 108.800 0.140 0.000 2.702 227 G HA2 0.609 4.569 3.960 -0.001 0.000 0.296 227 G HA3 0.609 4.569 3.960 -0.001 0.000 0.296 227 G C -1.306 173.535 174.900 -0.099 0.000 1.463 227 G CA 0.204 45.374 45.100 0.118 0.000 0.890 227 G HN 0.519 nan 8.290 nan 0.000 0.534 228 S N 0.943 116.515 115.700 -0.213 0.000 2.536 228 S HA 0.740 5.210 4.470 -0.001 0.000 0.271 228 S C -1.818 172.502 174.600 -0.465 0.000 1.134 228 S CA -1.123 56.818 58.200 -0.432 0.000 0.897 228 S CB 2.454 65.469 63.200 -0.308 0.000 1.094 228 S HN 0.345 nan 8.310 nan 0.000 0.473 229 P HA -0.097 nan 4.420 nan 0.000 0.219 229 P C 0.601 177.674 177.300 -0.378 0.000 1.146 229 P CA 1.133 64.003 63.100 -0.383 0.000 0.808 229 P CB -0.235 31.292 31.700 -0.288 0.000 0.779 230 N N -0.791 117.721 118.700 -0.314 0.000 2.383 230 N HA -0.023 4.717 4.740 -0.001 0.000 0.192 230 N C 0.107 175.391 175.510 -0.377 0.000 1.141 230 N CA -0.152 52.739 53.050 -0.264 0.000 0.851 230 N CB -1.383 37.064 38.487 -0.067 0.000 0.976 230 N HN 0.038 nan 8.380 nan 0.000 0.465 231 C N 3.056 122.023 119.300 -0.556 0.000 2.634 231 C HA 0.056 4.515 4.460 -0.001 0.000 0.417 231 C C -0.111 174.411 174.990 -0.781 0.000 1.334 231 C CA -0.886 57.669 59.018 -0.772 0.000 1.829 231 C CB 0.935 27.891 27.740 -1.308 0.000 2.665 231 C HN 0.364 nan 8.230 nan 0.000 0.614 232 P HA -0.123 nan 4.420 nan 0.000 0.221 232 P C 1.172 178.288 177.300 -0.306 0.000 1.145 232 P CA 1.879 64.717 63.100 -0.436 0.000 0.795 232 P CB -0.080 31.356 31.700 -0.441 0.000 0.775 233 W N -1.437 119.733 121.300 -0.216 0.000 3.211 233 W HA 0.561 5.220 4.660 -0.000 0.000 0.292 233 W C 1.215 177.765 176.519 0.051 0.000 1.268 233 W CA 0.350 57.643 57.345 -0.086 0.000 1.702 233 W CB -1.059 28.397 29.460 -0.006 0.000 1.092 233 W HN -0.120 nan 8.180 nan 0.000 0.643 234 A N 1.462 123.925 122.820 -0.596 0.000 2.169 234 A HA 0.165 4.484 4.320 -0.001 0.000 0.212 234 A C 1.021 178.357 177.584 -0.413 0.000 1.153 234 A CA 1.181 52.942 52.037 -0.460 0.000 0.756 234 A CB -0.554 17.959 19.000 -0.812 0.000 0.813 234 A HN 0.229 nan 8.150 nan 0.000 0.471 235 S N -1.826 113.659 115.700 -0.359 0.000 2.588 235 S HA 0.647 5.117 4.470 -0.001 0.000 0.269 235 S C -0.777 173.678 174.600 -0.242 0.000 1.157 235 S CA -0.091 57.900 58.200 -0.348 0.000 0.824 235 S CB 1.329 64.265 63.200 -0.441 0.000 1.126 235 S HN 1.270 nan 8.310 nan 0.000 0.464 236 V N -0.972 118.823 119.914 -0.197 0.000 3.160 236 V HA 0.948 5.068 4.120 -0.001 0.000 0.310 236 V C 0.190 176.208 176.094 -0.126 0.000 1.181 236 V CA -0.494 61.721 62.300 -0.142 0.000 1.047 236 V CB 1.129 32.887 31.823 -0.108 0.000 1.068 236 V HN 1.458 nan 8.190 nan 0.000 0.441 237 S N 0.460 116.099 115.700 -0.101 0.000 2.624 237 S HA 0.383 4.852 4.470 -0.001 0.000 0.263 237 S C 1.253 175.809 174.600 -0.073 0.000 1.287 237 S CA 0.012 58.158 58.200 -0.089 0.000 0.990 237 S CB 1.254 64.412 63.200 -0.072 0.000 0.950 237 S HN 2.071 nan 8.310 nan 0.000 0.561 238 V N -1.592 118.271 119.914 -0.085 0.000 2.626 238 V HA 0.054 4.174 4.120 -0.001 0.000 0.252 238 V C 2.463 178.548 176.094 -0.014 0.000 1.067 238 V CA 1.511 63.773 62.300 -0.063 0.000 1.081 238 V CB -1.965 29.765 31.823 -0.155 0.000 0.686 238 V HN 0.981 nan 8.190 nan 0.000 0.468 239 A N 0.728 123.535 122.820 -0.022 0.000 1.898 239 A HA -0.165 4.155 4.320 -0.001 0.000 0.216 239 A C 2.212 179.782 177.584 -0.024 0.000 1.181 239 A CA 1.869 53.899 52.037 -0.012 0.000 0.620 239 A CB -0.591 18.400 19.000 -0.015 0.000 0.819 239 A HN 0.617 nan 8.150 nan 0.000 0.442 240 E N 0.168 120.344 120.200 -0.040 0.000 2.106 240 E HA -0.014 4.335 4.350 -0.001 0.000 0.192 240 E C 1.948 178.518 176.600 -0.050 0.000 0.984 240 E CA 1.469 57.834 56.400 -0.058 0.000 0.806 240 E CB -0.800 28.857 29.700 -0.072 0.000 0.750 240 E HN 0.378 nan 8.360 nan 0.000 0.458 241 G N 0.721 109.503 108.800 -0.029 0.000 2.418 241 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.217 241 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.217 241 G C 1.758 176.676 174.900 0.029 0.000 1.158 241 G CA 0.874 45.979 45.100 0.009 0.000 0.771 241 G HN 0.324 nan 8.290 nan 0.000 0.545 242 R N 0.274 120.786 120.500 0.018 0.000 2.073 242 R HA 0.008 4.347 4.340 -0.001 0.000 0.234 242 R C 2.566 178.868 176.300 0.003 0.000 1.134 242 R CA 1.388 57.498 56.100 0.017 0.000 0.952 242 R CB -0.389 29.925 30.300 0.022 0.000 0.850 242 R HN 0.306 nan 8.270 nan 0.000 0.433 243 R N 0.419 120.910 120.500 -0.014 0.000 2.091 243 R HA -0.149 4.191 4.340 -0.001 0.000 0.238 243 R C 2.216 178.499 176.300 -0.028 0.000 1.136 243 R CA 1.887 57.970 56.100 -0.029 0.000 0.959 243 R CB -0.089 30.179 30.300 -0.053 0.000 0.856 243 R HN 0.283 nan 8.270 nan 0.000 0.437 244 R N -0.402 120.078 120.500 -0.033 0.000 2.092 244 R HA -0.027 4.313 4.340 -0.001 0.000 0.231 244 R C 2.332 178.691 176.300 0.099 0.000 1.119 244 R CA 1.153 57.231 56.100 -0.037 0.000 0.970 244 R CB -0.236 29.963 30.300 -0.168 0.000 0.864 244 R HN 0.242 nan 8.270 nan 0.000 0.440 245 A N 0.739 123.636 122.820 0.128 0.000 1.898 245 A HA -0.101 4.219 4.320 -0.001 0.000 0.216 245 A C 2.329 179.924 177.584 0.019 0.000 1.181 245 A CA 1.263 53.356 52.037 0.093 0.000 0.620 245 A CB -0.496 18.498 19.000 -0.009 0.000 0.819 245 A HN 0.102 nan 8.150 nan 0.000 0.442 246 V N 0.009 119.928 119.914 0.007 0.000 2.343 246 V HA -0.224 3.896 4.120 -0.001 0.000 0.247 246 V C 2.592 178.690 176.094 0.006 0.000 1.051 246 V CA 2.383 64.681 62.300 -0.003 0.000 1.036 246 V CB -0.664 31.155 31.823 -0.007 0.000 0.654 246 V HN 0.690 nan 8.190 nan 0.000 0.451 247 E N 0.159 120.365 120.200 0.011 0.000 2.153 247 E HA -0.212 4.138 4.350 -0.001 0.000 0.194 247 E C 1.902 178.523 176.600 0.035 0.000 0.988 247 E CA 1.100 57.507 56.400 0.011 0.000 0.811 247 E CB -0.370 29.323 29.700 -0.011 0.000 0.746 247 E HN 0.448 nan 8.360 nan 0.000 0.466 248 L N -0.304 120.962 121.223 0.070 0.000 2.017 248 L HA 0.023 4.363 4.340 -0.001 0.000 0.208 248 L C 2.193 179.085 176.870 0.037 0.000 1.073 248 L CA 2.301 57.194 54.840 0.089 0.000 0.745 248 L CB -1.025 41.118 42.059 0.139 0.000 0.894 248 L HN 0.246 nan 8.230 nan 0.000 0.432 249 G N -1.001 107.807 108.800 0.012 0.000 2.440 249 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.218 249 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.218 249 G C 1.802 176.712 174.900 0.017 0.000 1.154 249 G CA 0.875 45.978 45.100 0.005 0.000 0.767 249 G HN 0.400 nan 8.290 nan 0.000 0.552 250 R N 0.365 120.875 120.500 0.017 0.000 2.120 250 R HA -0.002 4.338 4.340 -0.001 0.000 0.234 250 R C 2.231 178.545 176.300 0.025 0.000 1.123 250 R CA 1.271 57.382 56.100 0.018 0.000 0.975 250 R CB -0.249 30.058 30.300 0.013 0.000 0.866 250 R HN 0.319 nan 8.270 nan 0.000 0.446 251 N N -0.004 118.716 118.700 0.032 0.000 2.396 251 N HA -0.082 4.658 4.740 -0.001 0.000 0.180 251 N C 0.752 176.287 175.510 0.041 0.000 1.028 251 N CA 0.841 53.915 53.050 0.040 0.000 0.893 251 N CB 0.229 38.748 38.487 0.053 0.000 0.967 251 N HN 0.271 nan 8.380 nan 0.000 0.440 252 L N 0.474 121.719 121.223 0.037 0.000 2.818 252 L HA 0.197 4.536 4.340 -0.001 0.000 0.243 252 L C -0.483 176.407 176.870 0.034 0.000 1.185 252 L CA -0.085 54.778 54.840 0.037 0.000 0.988 252 L CB -0.288 41.793 42.059 0.036 0.000 1.292 252 L HN 0.031 nan 8.230 nan 0.000 0.519 253 N N -1.381 117.338 118.700 0.031 0.000 2.740 253 N HA -0.180 4.559 4.740 -0.001 0.000 0.248 253 N C -0.148 175.380 175.510 0.030 0.000 1.062 253 N CA 0.308 53.375 53.050 0.028 0.000 0.704 253 N CB -1.670 36.835 38.487 0.029 0.000 0.968 253 N HN 0.286 nan 8.380 nan 0.000 0.547 254 c N 0.453 119.070 118.600 0.029 0.000 2.422 254 c HA 0.303 4.873 4.570 -0.001 0.000 0.364 254 c C 1.188 175.296 174.090 0.030 0.000 1.251 254 c CA -0.937 55.413 56.329 0.034 0.000 2.441 254 c CB 0.808 43.336 42.510 0.030 0.000 2.393 254 c HN 0.485 nan 8.230 nan 0.000 0.606 255 N N 1.369 120.091 118.700 0.037 0.000 2.458 255 N HA 0.179 4.919 4.740 -0.001 0.000 0.270 255 N C -0.081 175.442 175.510 0.021 0.000 1.102 255 N CA 0.094 53.161 53.050 0.027 0.000 0.967 255 N CB 0.535 39.039 38.487 0.029 0.000 1.078 255 N HN 0.605 nan 8.380 nan 0.000 0.471 256 L N 2.847 124.077 121.223 0.013 0.000 2.769 256 L HA 0.190 4.530 4.340 -0.001 0.000 0.240 256 L C 1.309 178.182 176.870 0.004 0.000 1.163 256 L CA -0.315 54.530 54.840 0.007 0.000 0.962 256 L CB -0.164 41.897 42.059 0.005 0.000 1.258 256 L HN 0.420 nan 8.230 nan 0.000 0.513 257 N N 0.769 119.472 118.700 0.005 0.000 2.223 257 N HA -0.092 4.647 4.740 -0.001 0.000 0.185 257 N C 0.793 176.303 175.510 -0.000 0.000 1.016 257 N CA 1.096 54.147 53.050 0.001 0.000 0.863 257 N CB 0.138 38.626 38.487 0.000 0.000 0.983 257 N HN 0.485 nan 8.380 nan 0.000 0.429 258 S N -1.784 113.917 115.700 0.000 0.000 2.625 258 S HA 0.348 4.818 4.470 -0.001 0.000 0.271 258 S C -0.016 174.584 174.600 -0.001 0.000 1.161 258 S CA -0.876 57.323 58.200 -0.002 0.000 0.820 258 S CB 1.676 64.874 63.200 -0.003 0.000 1.137 258 S HN -0.232 nan 8.310 nan 0.000 0.470 259 D N 1.050 121.447 120.400 -0.005 0.000 2.123 259 D HA -0.065 4.574 4.640 -0.001 0.000 0.196 259 D C 1.551 177.854 176.300 0.006 0.000 0.992 259 D CA 1.825 55.820 54.000 -0.009 0.000 0.833 259 D CB -0.257 40.534 40.800 -0.015 0.000 0.954 259 D HN 0.670 nan 8.370 nan 0.000 0.455 260 E N 0.908 121.115 120.200 0.013 0.000 2.058 260 E HA -0.151 4.199 4.350 -0.001 0.000 0.194 260 E C 2.041 178.673 176.600 0.052 0.000 0.997 260 E CA 0.863 57.281 56.400 0.031 0.000 0.801 260 E CB -0.216 29.492 29.700 0.014 0.000 0.746 260 E HN 0.349 nan 8.360 nan 0.000 0.450 261 E N 0.061 120.280 120.200 0.030 0.000 2.077 261 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 261 E C 2.135 178.780 176.600 0.075 0.000 0.989 261 E CA 0.633 57.059 56.400 0.043 0.000 0.800 261 E CB -0.285 29.426 29.700 0.017 0.000 0.746 261 E HN 0.163 nan 8.360 nan 0.000 0.452 262 L N 1.268 122.515 121.223 0.039 0.000 1.994 262 L HA -0.132 4.208 4.340 -0.001 0.000 0.208 262 L C 2.244 179.130 176.870 0.027 0.000 1.071 262 L CA 1.478 56.331 54.840 0.021 0.000 0.745 262 L CB -0.608 41.441 42.059 -0.017 0.000 0.892 262 L HN 0.038 nan 8.230 nan 0.000 0.431 263 I N -0.852 119.735 120.570 0.028 0.000 2.226 263 I HA -0.331 3.839 4.170 -0.001 0.000 0.245 263 I C 2.627 178.827 176.117 0.137 0.000 1.100 263 I CA 1.540 62.873 61.300 0.056 0.000 1.374 263 I CB -0.698 37.338 38.000 0.059 0.000 1.057 263 I HN 0.489 nan 8.210 nan 0.000 0.413 264 H N 0.571 119.675 119.070 0.058 0.000 2.352 264 H HA -0.266 4.290 4.556 -0.001 0.000 0.299 264 H C 2.458 177.822 175.328 0.060 0.000 1.097 264 H CA 2.300 58.383 56.048 0.058 0.000 1.311 264 H CB -0.244 29.540 29.762 0.036 0.000 1.377 264 H HN 0.504 nan 8.280 nan 0.000 0.504 265 c N 0.954 119.626 118.600 0.120 0.000 2.432 265 c HA -0.088 4.482 4.570 -0.001 0.000 0.277 265 c C 3.095 177.194 174.090 0.016 0.000 1.249 265 c CA 0.824 57.190 56.329 0.062 0.000 1.725 265 c CB -1.420 41.145 42.510 0.092 0.000 2.028 265 c HN 0.584 nan 8.230 nan 0.000 0.477 266 L N 0.208 121.466 121.223 0.059 0.000 2.191 266 L HA -0.106 4.234 4.340 -0.001 0.000 0.212 266 L C 2.938 179.897 176.870 0.148 0.000 1.103 266 L CA 1.457 56.367 54.840 0.116 0.000 0.769 266 L CB -0.663 41.472 42.059 0.126 0.000 0.908 266 L HN 0.381 nan 8.230 nan 0.000 0.438 267 R N -0.466 120.086 120.500 0.087 0.000 2.236 267 R HA -0.074 4.265 4.340 -0.001 0.000 0.208 267 R C 1.794 178.037 176.300 -0.096 0.000 1.036 267 R CA 0.484 56.566 56.100 -0.030 0.000 1.001 267 R CB 0.081 30.349 30.300 -0.054 0.000 0.896 267 R HN 0.289 nan 8.270 nan 0.000 0.464 268 E N 0.591 120.716 120.200 -0.125 0.000 2.371 268 E HA 0.007 4.356 4.350 -0.001 0.000 0.194 268 E C 0.094 176.674 176.600 -0.033 0.000 1.012 268 E CA 0.600 56.937 56.400 -0.105 0.000 0.860 268 E CB 0.206 29.829 29.700 -0.128 0.000 0.811 268 E HN 0.005 nan 8.360 nan 0.000 0.502 269 K N 1.720 122.116 120.400 -0.006 0.000 2.326 269 K HA 0.161 4.481 4.320 -0.001 0.000 0.275 269 K C 0.452 177.077 176.600 0.042 0.000 1.018 269 K CA -0.060 56.242 56.287 0.025 0.000 0.962 269 K CB 0.739 33.263 32.500 0.040 0.000 0.953 269 K HN -0.080 nan 8.250 nan 0.000 0.475 270 K N 2.695 123.126 120.400 0.052 0.000 2.258 270 K HA 0.028 4.347 4.320 -0.001 0.000 0.264 270 K C -1.537 175.140 176.600 0.128 0.000 1.007 270 K CA -1.455 54.871 56.287 0.065 0.000 0.941 270 K CB 0.136 32.666 32.500 0.050 0.000 0.966 270 K HN 0.188 nan 8.250 nan 0.000 0.480 271 P HA -0.249 nan 4.420 nan 0.000 0.215 271 P C 1.098 178.586 177.300 0.313 0.000 1.163 271 P CA 1.323 64.627 63.100 0.340 0.000 0.894 271 P CB 0.227 31.975 31.700 0.079 0.000 0.791 272 Q N 0.022 119.926 119.800 0.174 0.000 2.297 272 Q HA -0.192 4.147 4.340 -0.001 0.000 0.208 272 Q C 1.826 177.916 176.000 0.150 0.000 0.981 272 Q CA 1.589 57.485 55.803 0.156 0.000 0.876 272 Q CB -0.805 27.992 28.738 0.098 0.000 0.921 272 Q HN 0.363 nan 8.270 nan 0.000 0.446 273 E N -1.032 119.245 120.200 0.129 0.000 2.107 273 E HA -0.146 4.204 4.350 -0.001 0.000 0.191 273 E C 1.450 178.113 176.600 0.105 0.000 0.982 273 E CA 0.767 57.230 56.400 0.103 0.000 0.809 273 E CB 0.056 29.803 29.700 0.078 0.000 0.756 273 E HN 0.250 nan 8.360 nan 0.000 0.459 274 L N 0.592 121.878 121.223 0.105 0.000 2.072 274 L HA -0.105 4.235 4.340 -0.001 0.000 0.205 274 L C 2.177 179.110 176.870 0.106 0.000 1.079 274 L CA 1.353 56.219 54.840 0.043 0.000 0.752 274 L CB -0.495 41.491 42.059 -0.122 0.000 0.906 274 L HN 0.144 nan 8.230 nan 0.000 0.436 275 I N -0.445 120.242 120.570 0.194 0.000 2.226 275 I HA -0.294 3.876 4.170 -0.001 0.000 0.245 275 I C 1.916 178.199 176.117 0.277 0.000 1.100 275 I CA 1.096 62.554 61.300 0.264 0.000 1.374 275 I CB -0.415 37.781 38.000 0.327 0.000 1.057 275 I HN 0.239 nan 8.210 nan 0.000 0.413 276 D N 0.380 120.917 120.400 0.228 0.000 2.221 276 D HA -0.125 4.514 4.640 -0.001 0.000 0.204 276 D C 1.887 178.313 176.300 0.211 0.000 0.982 276 D CA 1.503 55.636 54.000 0.222 0.000 0.857 276 D CB 0.046 40.940 40.800 0.156 0.000 0.934 276 D HN 0.403 nan 8.370 nan 0.000 0.475 277 V N -2.717 117.301 119.914 0.172 0.000 3.477 277 V HA 0.202 4.321 4.120 -0.001 0.000 0.297 277 V C 1.770 177.950 176.094 0.144 0.000 1.433 277 V CA -0.019 62.370 62.300 0.150 0.000 1.052 277 V CB 0.366 32.254 31.823 0.109 0.000 0.895 277 V HN -0.061 nan 8.190 nan 0.000 0.438 278 E N 0.931 121.211 120.200 0.133 0.000 2.086 278 E HA -0.287 4.063 4.350 -0.001 0.000 0.200 278 E C 1.558 178.104 176.600 -0.090 0.000 1.012 278 E CA 2.712 59.149 56.400 0.061 0.000 0.812 278 E CB -0.242 29.428 29.700 -0.050 0.000 0.743 278 E HN 0.816 nan 8.360 nan 0.000 0.453 279 W N 0.729 122.012 121.300 -0.029 0.000 2.825 279 W HA 0.017 4.677 4.660 -0.001 0.000 0.243 279 W C 1.596 178.069 176.519 -0.076 0.000 1.293 279 W CA 0.006 57.286 57.345 -0.107 0.000 1.403 279 W CB 0.062 29.420 29.460 -0.171 0.000 1.134 279 W HN 0.101 nan 8.180 nan 0.000 0.666 280 N N 0.114 118.904 118.700 0.151 0.000 2.515 280 N HA -0.088 4.652 4.740 -0.001 0.000 0.185 280 N C 1.726 177.250 175.510 0.022 0.000 1.109 280 N CA 1.287 54.388 53.050 0.085 0.000 0.903 280 N CB -0.448 38.086 38.487 0.079 0.000 0.969 280 N HN 0.255 nan 8.380 nan 0.000 0.450 281 V N -2.116 117.783 119.914 -0.025 0.000 3.608 281 V HA 0.232 4.351 4.120 -0.001 0.000 0.269 281 V C 0.809 176.821 176.094 -0.137 0.000 1.245 281 V CA -0.080 62.167 62.300 -0.088 0.000 1.138 281 V CB -0.651 31.094 31.823 -0.130 0.000 0.841 281 V HN -0.013 nan 8.190 nan 0.000 0.451 282 L N 2.314 123.476 121.223 -0.103 0.000 2.514 282 L HA 0.177 4.517 4.340 -0.001 0.000 0.280 282 L C -0.333 176.442 176.870 -0.159 0.000 1.223 282 L CA -0.715 54.060 54.840 -0.109 0.000 0.864 282 L CB 0.512 42.567 42.059 -0.007 0.000 1.118 282 L HN 0.177 nan 8.230 nan 0.000 0.494 283 P HA -0.000 nan 4.420 nan 0.000 0.227 283 P C -0.249 176.655 177.300 -0.660 0.000 1.161 283 P CA 0.960 63.726 63.100 -0.556 0.000 0.788 283 P CB 0.337 31.540 31.700 -0.829 0.000 0.822 284 F N -0.461 119.486 119.950 -0.005 0.000 2.620 284 F HA 0.386 4.912 4.527 -0.001 0.000 0.320 284 F C 0.325 176.127 175.800 0.004 0.000 1.069 284 F CA -1.584 56.418 58.000 0.004 0.000 0.953 284 F CB 0.322 39.330 39.000 0.014 0.000 1.322 284 F HN -0.362 nan 8.300 nan 0.000 0.479 285 D N 1.263 121.799 120.400 0.227 0.000 2.343 285 D HA 0.445 5.085 4.640 -0.001 0.000 0.255 285 D C -0.615 175.752 176.300 0.111 0.000 1.187 285 D CA 0.485 54.556 54.000 0.117 0.000 0.875 285 D CB 0.496 41.346 40.800 0.082 0.000 1.136 285 D HN 0.640 nan 8.370 nan 0.000 0.469 286 S N 2.582 118.330 115.700 0.080 0.000 2.661 286 S HA 0.685 5.154 4.470 -0.001 0.000 0.268 286 S C -0.494 174.124 174.600 0.030 0.000 1.162 286 S CA -1.015 57.221 58.200 0.061 0.000 0.817 286 S CB 0.496 63.756 63.200 0.100 0.000 1.141 286 S HN 0.517 nan 8.310 nan 0.000 0.477 287 I N -3.186 117.402 120.570 0.030 0.000 2.934 287 I HA 0.825 4.994 4.170 -0.001 0.000 0.306 287 I C -0.429 175.710 176.117 0.036 0.000 1.110 287 I CA -1.108 60.214 61.300 0.037 0.000 1.019 287 I CB 1.495 39.539 38.000 0.074 0.000 1.227 287 I HN 0.799 nan 8.210 nan 0.000 0.434 288 F N 1.993 121.813 119.950 -0.218 0.000 3.080 288 F HA -0.166 4.360 4.527 -0.001 0.000 0.292 288 F C -0.479 174.813 175.800 -0.848 0.000 0.891 288 F CA 0.564 58.201 58.000 -0.605 0.000 1.086 288 F CB -0.617 37.990 39.000 -0.654 0.000 1.095 288 F HN 0.627 nan 8.300 nan 0.000 0.633 289 R N 0.601 120.645 120.500 -0.760 0.000 2.574 289 R HA 0.596 4.936 4.340 -0.001 0.000 0.288 289 R C -1.012 174.847 176.300 -0.736 0.000 1.004 289 R CA -0.535 55.187 56.100 -0.630 0.000 0.895 289 R CB 1.215 31.427 30.300 -0.146 0.000 1.191 289 R HN -0.013 nan 8.270 nan 0.000 0.444 290 F N -0.592 119.463 119.950 0.176 0.000 2.546 290 F HA 0.400 4.927 4.527 -0.001 0.000 0.320 290 F C 1.616 177.325 175.800 -0.152 0.000 1.076 290 F CA -0.883 57.131 58.000 0.023 0.000 0.928 290 F CB 1.601 40.716 39.000 0.192 0.000 1.189 290 F HN 0.342 nan 8.300 nan 0.000 0.465 291 S N 0.586 116.127 115.700 -0.265 0.000 2.344 291 S HA -0.061 4.409 4.470 -0.001 0.000 0.217 291 S C 0.097 174.235 174.600 -0.769 0.000 1.033 291 S CA 1.239 59.066 58.200 -0.622 0.000 1.017 291 S CB -0.273 62.369 63.200 -0.930 0.000 0.941 291 S HN 0.341 nan 8.310 nan 0.000 0.430 292 F N 1.810 121.774 119.950 0.024 0.000 2.332 292 F HA 0.562 5.089 4.527 -0.001 0.000 0.368 292 F C 0.112 175.948 175.800 0.059 0.000 1.110 292 F CA -1.020 57.032 58.000 0.087 0.000 1.087 292 F CB 0.992 40.081 39.000 0.147 0.000 1.235 292 F HN -0.055 nan 8.300 nan 0.000 0.470 293 V N 0.865 120.778 119.914 -0.001 0.000 3.167 293 V HA 0.756 4.875 4.120 -0.001 0.000 0.310 293 V C -2.911 172.903 176.094 -0.466 0.000 1.207 293 V CA -3.344 58.643 62.300 -0.522 0.000 1.059 293 V CB 1.942 33.563 31.823 -0.338 0.000 1.079 293 V HN 0.259 nan 8.190 nan 0.000 0.446 294 P HA 0.242 nan 4.420 nan 0.000 0.266 294 P C -0.616 176.597 177.300 -0.144 0.000 1.193 294 P CA 0.316 63.233 63.100 -0.303 0.000 0.770 294 P CB 0.434 31.874 31.700 -0.433 0.000 0.836 295 V N 1.093 121.020 119.914 0.023 0.000 2.555 295 V HA 0.420 4.540 4.120 -0.001 0.000 0.302 295 V C 0.021 176.161 176.094 0.076 0.000 1.038 295 V CA -0.847 61.453 62.300 0.001 0.000 0.887 295 V CB 1.719 33.558 31.823 0.026 0.000 0.991 295 V HN 0.220 nan 8.190 nan 0.000 0.434 296 I N 5.200 125.744 120.570 -0.043 0.000 2.349 296 I HA 0.155 4.325 4.170 -0.001 0.000 0.302 296 I C 0.994 177.115 176.117 0.008 0.000 1.180 296 I CA 0.254 61.552 61.300 -0.004 0.000 1.405 296 I CB -0.302 37.621 38.000 -0.129 0.000 1.474 296 I HN 0.963 nan 8.210 nan 0.000 0.632 297 D N 3.240 123.705 120.400 0.109 0.000 2.354 297 D HA 0.029 4.669 4.640 -0.001 0.000 0.209 297 D C 1.414 177.703 176.300 -0.018 0.000 1.015 297 D CA 0.764 54.733 54.000 -0.051 0.000 0.867 297 D CB 0.376 41.230 40.800 0.089 0.000 0.933 297 D HN 0.629 nan 8.370 nan 0.000 0.520 298 G N 0.322 109.174 108.800 0.086 0.000 2.159 298 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.256 298 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.256 298 G C 0.675 175.639 174.900 0.107 0.000 0.977 298 G CA 0.640 45.792 45.100 0.087 0.000 0.652 298 G HN 0.485 nan 8.290 nan 0.000 0.531 299 E N -1.702 118.575 120.200 0.128 0.000 3.312 299 E HA 0.332 4.682 4.350 -0.001 0.000 0.178 299 E C 1.717 178.343 176.600 0.043 0.000 1.204 299 E CA -0.220 56.236 56.400 0.093 0.000 1.335 299 E CB -0.091 29.682 29.700 0.122 0.000 1.680 299 E HN 0.199 nan 8.360 nan 0.000 0.503 300 F N 1.238 121.118 119.950 -0.117 0.000 2.134 300 F HA -0.024 4.502 4.527 -0.001 0.000 0.299 300 F C 0.251 175.761 175.800 -0.484 0.000 1.097 300 F CA 1.166 58.962 58.000 -0.341 0.000 1.264 300 F CB 0.271 38.976 39.000 -0.491 0.000 1.001 300 F HN -0.130 nan 8.300 nan 0.000 0.479 301 F N 0.822 120.921 119.950 0.249 0.000 2.347 301 F HA 0.361 4.887 4.527 -0.001 0.000 0.366 301 F C -1.612 174.226 175.800 0.063 0.000 1.107 301 F CA -2.888 55.195 58.000 0.139 0.000 1.058 301 F CB 0.639 39.714 39.000 0.125 0.000 1.236 301 F HN -0.238 nan 8.300 nan 0.000 0.456 302 P HA -0.115 nan 4.420 nan 0.000 0.215 302 P C 0.456 177.813 177.300 0.094 0.000 1.157 302 P CA 1.835 64.992 63.100 0.094 0.000 0.874 302 P CB 0.180 31.912 31.700 0.054 0.000 0.790 303 T N -6.215 108.402 114.554 0.105 0.000 2.669 303 T HA 0.470 4.819 4.350 -0.001 0.000 0.283 303 T C -0.256 174.481 174.700 0.061 0.000 1.019 303 T CA -0.670 61.469 62.100 0.066 0.000 1.039 303 T CB 0.670 69.563 68.868 0.042 0.000 1.374 303 T HN -0.006 nan 8.240 nan 0.000 0.523 304 S N 0.124 115.835 115.700 0.019 0.000 2.558 304 S HA 0.122 4.592 4.470 -0.001 0.000 0.287 304 S C 1.513 176.109 174.600 -0.007 0.000 1.321 304 S CA -0.654 57.535 58.200 -0.018 0.000 1.048 304 S CB -0.417 62.771 63.200 -0.021 0.000 0.844 304 S HN 0.655 nan 8.310 nan 0.000 0.512 305 L N 0.547 121.729 121.223 -0.068 0.000 2.042 305 L HA -0.115 4.224 4.340 -0.001 0.000 0.210 305 L C 2.925 179.822 176.870 0.044 0.000 1.076 305 L CA 1.923 56.740 54.840 -0.038 0.000 0.749 305 L CB -0.790 41.182 42.059 -0.145 0.000 0.893 305 L HN 0.793 nan 8.230 nan 0.000 0.432 306 E N 0.741 120.963 120.200 0.037 0.000 2.077 306 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 306 E C 2.266 178.921 176.600 0.092 0.000 0.989 306 E CA 1.767 58.222 56.400 0.092 0.000 0.800 306 E CB -0.103 29.640 29.700 0.070 0.000 0.746 306 E HN 0.486 nan 8.360 nan 0.000 0.452 307 S N -0.614 115.123 115.700 0.061 0.000 2.406 307 S HA -0.121 4.349 4.470 -0.001 0.000 0.228 307 S C 2.121 176.757 174.600 0.061 0.000 1.020 307 S CA 1.124 59.357 58.200 0.054 0.000 0.965 307 S CB -0.326 62.894 63.200 0.033 0.000 0.798 307 S HN 0.239 nan 8.310 nan 0.000 0.488 308 M N 0.968 120.619 119.600 0.085 0.000 2.132 308 M HA 0.064 4.543 4.480 -0.001 0.000 0.263 308 M C 2.203 178.616 176.300 0.188 0.000 1.065 308 M CA 1.372 56.741 55.300 0.116 0.000 1.122 308 M CB -0.623 32.080 32.600 0.171 0.000 1.365 308 M HN 0.300 nan 8.290 nan 0.000 0.411 309 L N -0.043 121.307 121.223 0.211 0.000 2.083 309 L HA -0.226 4.113 4.340 -0.001 0.000 0.209 309 L C 2.187 179.194 176.870 0.227 0.000 1.083 309 L CA 0.895 55.890 54.840 0.258 0.000 0.752 309 L CB -0.766 41.371 42.059 0.130 0.000 0.899 309 L HN 0.372 nan 8.230 nan 0.000 0.433 310 N N -0.363 118.423 118.700 0.143 0.000 2.270 310 N HA -0.118 4.621 4.740 -0.001 0.000 0.181 310 N C 1.910 177.484 175.510 0.106 0.000 1.016 310 N CA 1.628 54.761 53.050 0.139 0.000 0.870 310 N CB -0.023 38.529 38.487 0.108 0.000 0.979 310 N HN 0.335 nan 8.380 nan 0.000 0.431 311 S N -1.105 114.580 115.700 -0.025 0.000 2.575 311 S HA 0.254 4.724 4.470 -0.001 0.000 0.215 311 S C 1.252 175.483 174.600 -0.615 0.000 0.966 311 S CA 0.392 58.499 58.200 -0.154 0.000 0.911 311 S CB 0.267 63.401 63.200 -0.111 0.000 0.780 311 S HN 0.350 nan 8.310 nan 0.000 0.514 312 G N 2.003 110.224 108.800 -0.966 0.000 2.176 312 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.252 312 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.252 312 G C -0.056 173.994 174.900 -1.417 0.000 1.024 312 G CA 0.059 43.899 45.100 -2.101 0.000 0.755 312 G HN 0.593 nan 8.290 nan 0.000 0.507 313 N N 0.570 118.870 118.700 -0.667 0.000 2.968 313 N HA 0.525 5.265 4.740 -0.001 0.000 0.271 313 N C -0.162 175.295 175.510 -0.089 0.000 1.174 313 N CA -0.227 52.623 53.050 -0.334 0.000 1.096 313 N CB -0.810 37.605 38.487 -0.120 0.000 1.403 313 N HN 0.720 nan 8.380 nan 0.000 0.522 314 F N -1.140 118.747 119.950 -0.105 0.000 2.770 314 F HA 0.401 4.927 4.527 -0.000 0.000 0.313 314 F C -0.390 175.421 175.800 0.018 0.000 1.154 314 F CA -1.423 56.586 58.000 0.014 0.000 0.923 314 F CB 0.615 39.686 39.000 0.119 0.000 1.301 314 F HN -0.158 nan 8.300 nan 0.000 0.449 315 K N 1.624 122.265 120.400 0.402 0.000 2.451 315 K HA 0.214 4.534 4.320 -0.001 0.000 0.280 315 K C -1.083 175.761 176.600 0.405 0.000 1.020 315 K CA -0.172 56.267 56.287 0.253 0.000 1.008 315 K CB 0.498 33.096 32.500 0.163 0.000 0.917 315 K HN 0.642 nan 8.250 nan 0.000 0.478 316 K N 2.661 123.179 120.400 0.198 0.000 2.253 316 K HA 0.239 4.559 4.320 -0.001 0.000 0.277 316 K C -0.194 176.531 176.600 0.208 0.000 1.053 316 K CA -0.290 56.120 56.287 0.205 0.000 0.892 316 K CB 1.897 34.428 32.500 0.052 0.000 1.102 316 K HN 0.688 nan 8.250 nan 0.000 0.469 317 T N 1.179 115.934 114.554 0.334 0.000 2.647 317 T HA 0.288 4.638 4.350 -0.001 0.000 0.302 317 T C -1.458 173.436 174.700 0.325 0.000 1.389 317 T CA -0.676 61.569 62.100 0.242 0.000 1.037 317 T CB 0.508 69.487 68.868 0.186 0.000 1.755 317 T HN 0.386 nan 8.240 nan 0.000 0.467 318 Q N 1.055 121.014 119.800 0.265 0.000 2.222 318 Q HA 0.772 5.112 4.340 -0.001 0.000 0.252 318 Q C -0.357 175.922 176.000 0.466 0.000 0.926 318 Q CA -0.511 55.504 55.803 0.353 0.000 0.899 318 Q CB 1.418 30.342 28.738 0.311 0.000 1.250 318 Q HN 0.689 nan 8.270 nan 0.000 0.441 319 I N -1.418 119.377 120.570 0.375 0.000 2.769 319 I HA 0.704 4.873 4.170 -0.001 0.000 0.298 319 I C -1.524 174.470 176.117 -0.205 0.000 1.128 319 I CA -1.380 60.004 61.300 0.140 0.000 1.031 319 I CB 1.908 39.816 38.000 -0.153 0.000 1.235 319 I HN 0.549 nan 8.210 nan 0.000 0.423 320 L N 6.793 127.664 121.223 -0.586 0.000 2.409 320 L HA 0.804 5.143 4.340 -0.001 0.000 0.272 320 L C -1.328 175.319 176.870 -0.372 0.000 0.980 320 L CA -0.527 53.855 54.840 -0.763 0.000 0.826 320 L CB 1.744 42.812 42.059 -1.651 0.000 1.268 320 L HN 0.865 nan 8.230 nan 0.000 0.407 321 L N 2.426 123.561 121.223 -0.147 0.000 2.765 321 L HA 1.109 5.449 4.340 -0.001 0.000 0.263 321 L C -0.801 175.860 176.870 -0.348 0.000 1.068 321 L CA -0.402 54.385 54.840 -0.088 0.000 0.903 321 L CB 1.872 43.867 42.059 -0.106 0.000 1.512 321 L HN 0.683 nan 8.230 nan 0.000 0.404 322 G N -0.260 108.144 108.800 -0.661 0.000 2.342 322 G HA2 0.570 4.530 3.960 -0.001 0.000 0.297 322 G HA3 0.570 4.530 3.960 -0.001 0.000 0.297 322 G C -1.574 172.984 174.900 -0.570 0.000 1.313 322 G CA 0.007 44.354 45.100 -1.255 0.000 0.830 322 G HN 1.524 nan 8.290 nan 0.000 0.506 323 V N -2.471 117.278 119.914 -0.276 0.000 3.160 323 V HA 0.879 4.999 4.120 -0.001 0.000 0.310 323 V C -0.906 175.319 176.094 0.219 0.000 1.181 323 V CA -1.422 60.939 62.300 0.101 0.000 1.047 323 V CB 1.912 33.819 31.823 0.141 0.000 1.068 323 V HN 0.689 nan 8.190 nan 0.000 0.441 324 N N 0.785 119.627 118.700 0.236 0.000 2.472 324 N HA 0.439 5.178 4.740 -0.001 0.000 0.289 324 N C 0.575 176.091 175.510 0.010 0.000 1.156 324 N CA -0.577 52.586 53.050 0.188 0.000 0.940 324 N CB 1.724 40.413 38.487 0.337 0.000 1.200 324 N HN 0.914 nan 8.380 nan 0.000 0.511 325 K N -0.014 120.284 120.400 -0.169 0.000 2.057 325 K HA -0.063 4.257 4.320 -0.001 0.000 0.207 325 K C -0.642 176.066 176.600 0.179 0.000 1.049 325 K CA 1.260 57.521 56.287 -0.043 0.000 0.931 325 K CB 0.194 32.666 32.500 -0.046 0.000 0.714 325 K HN 0.515 nan 8.250 nan 0.000 0.440 326 D N 1.236 121.733 120.400 0.162 0.000 2.634 326 D HA 0.039 4.678 4.640 -0.001 0.000 0.318 326 D C 0.167 176.590 176.300 0.205 0.000 1.226 326 D CA -0.075 54.032 54.000 0.177 0.000 0.899 326 D CB 1.256 42.132 40.800 0.127 0.000 1.025 326 D HN 0.167 nan 8.370 nan 0.000 0.501 327 E N 0.455 120.801 120.200 0.242 0.000 2.153 327 E HA -0.114 4.236 4.350 -0.001 0.000 0.194 327 E C 1.966 178.745 176.600 0.299 0.000 0.988 327 E CA 0.621 57.199 56.400 0.296 0.000 0.811 327 E CB 0.116 29.965 29.700 0.249 0.000 0.746 327 E HN 0.412 nan 8.360 nan 0.000 0.466 328 G N 1.338 110.285 108.800 0.245 0.000 2.623 328 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.214 328 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.214 328 G C 1.729 176.798 174.900 0.281 0.000 1.138 328 G CA 0.817 46.093 45.100 0.293 0.000 0.794 328 G HN 0.361 nan 8.290 nan 0.000 0.535 329 S N 0.663 116.467 115.700 0.173 0.000 2.370 329 S HA -0.163 4.306 4.470 -0.001 0.000 0.226 329 S C 2.067 176.630 174.600 -0.062 0.000 1.033 329 S CA 1.017 59.254 58.200 0.062 0.000 1.011 329 S CB -0.572 62.551 63.200 -0.129 0.000 0.852 329 S HN 0.123 nan 8.310 nan 0.000 0.457 330 F N 2.116 121.873 119.950 -0.322 0.000 2.126 330 F HA 0.030 4.557 4.527 -0.001 0.000 0.299 330 F C 1.834 177.246 175.800 -0.646 0.000 1.096 330 F CA 0.457 58.070 58.000 -0.646 0.000 1.255 330 F CB -0.858 37.557 39.000 -0.975 0.000 0.997 330 F HN 0.197 nan 8.300 nan 0.000 0.479 331 F N -0.904 119.034 119.950 -0.019 0.000 2.367 331 F HA -0.068 4.459 4.527 -0.001 0.000 0.298 331 F C 2.222 177.988 175.800 -0.056 0.000 1.094 331 F CA 0.635 58.569 58.000 -0.111 0.000 1.409 331 F CB -0.959 37.909 39.000 -0.220 0.000 1.064 331 F HN -0.125 nan 8.300 nan 0.000 0.528 332 L N -0.655 120.565 121.223 -0.005 0.000 2.109 332 L HA -0.140 4.200 4.340 -0.001 0.000 0.207 332 L C 2.427 179.168 176.870 -0.215 0.000 1.086 332 L CA 0.479 55.091 54.840 -0.380 0.000 0.760 332 L CB -0.563 40.892 42.059 -1.007 0.000 0.910 332 L HN 0.168 nan 8.230 nan 0.000 0.437 333 L N -0.938 120.375 121.223 0.150 0.000 2.042 333 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 333 L C 2.286 179.370 176.870 0.357 0.000 1.076 333 L CA 2.022 57.123 54.840 0.435 0.000 0.749 333 L CB -0.698 41.642 42.059 0.468 0.000 0.893 333 L HN 0.114 nan 8.230 nan 0.000 0.432 334 Y N -0.622 119.740 120.300 0.104 0.000 2.457 334 Y HA 0.179 4.729 4.550 -0.001 0.000 0.292 334 Y C 2.258 178.164 175.900 0.009 0.000 1.125 334 Y CA 0.932 59.071 58.100 0.064 0.000 1.254 334 Y CB -0.152 38.298 38.460 -0.016 0.000 1.012 334 Y HN 0.318 nan 8.280 nan 0.000 0.555 335 G N -1.913 106.974 108.800 0.145 0.000 2.799 335 G HA2 0.373 4.333 3.960 -0.001 0.000 0.201 335 G HA3 0.373 4.333 3.960 -0.001 0.000 0.201 335 G C 0.051 174.993 174.900 0.071 0.000 1.142 335 G CA 0.322 45.465 45.100 0.071 0.000 0.910 335 G HN 0.265 nan 8.290 nan 0.000 0.710 336 A N 2.108 124.975 122.820 0.079 0.000 2.331 336 A HA 0.697 5.017 4.320 -0.001 0.000 0.283 336 A C -2.195 175.558 177.584 0.282 0.000 1.142 336 A CA -1.301 50.821 52.037 0.141 0.000 0.812 336 A CB 0.411 19.450 19.000 0.065 0.000 1.074 336 A HN 0.110 nan 8.150 nan 0.000 0.497 337 P HA 0.219 nan 4.420 nan 0.000 0.268 337 P C 0.875 178.243 177.300 0.114 0.000 1.204 337 P CA 1.432 64.611 63.100 0.132 0.000 0.768 337 P CB 1.030 32.773 31.700 0.072 0.000 0.842 338 G N 1.982 110.792 108.800 0.017 0.000 2.254 338 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.225 338 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.225 338 G C -0.225 174.481 174.900 -0.325 0.000 1.003 338 G CA -0.499 44.492 45.100 -0.182 0.000 0.622 338 G HN 0.425 nan 8.290 nan 0.000 0.507 339 F N 2.219 122.103 119.950 -0.110 0.000 2.385 339 F HA 0.726 5.253 4.527 -0.001 0.000 0.336 339 F C 0.720 176.517 175.800 -0.006 0.000 1.100 339 F CA -0.185 57.712 58.000 -0.172 0.000 1.116 339 F CB 2.112 41.052 39.000 -0.101 0.000 1.166 339 F HN 0.082 nan 8.300 nan 0.000 0.511 340 S N 1.246 117.066 115.700 0.200 0.000 2.556 340 S HA 0.275 4.744 4.470 -0.001 0.000 0.271 340 S C 0.475 175.313 174.600 0.396 0.000 1.135 340 S CA -1.195 57.155 58.200 0.251 0.000 0.858 340 S CB 2.220 65.490 63.200 0.116 0.000 1.114 340 S HN 0.702 nan 8.310 nan 0.000 0.468 341 K N 0.446 121.028 120.400 0.304 0.000 2.155 341 K HA -0.048 4.272 4.320 -0.001 0.000 0.203 341 K C -0.096 176.585 176.600 0.134 0.000 1.052 341 K CA 1.363 57.759 56.287 0.181 0.000 0.948 341 K CB 0.017 32.340 32.500 -0.294 0.000 0.728 341 K HN 0.471 nan 8.250 nan 0.000 0.448 342 D N 0.370 120.824 120.400 0.089 0.000 2.363 342 D HA 0.012 4.652 4.640 -0.001 0.000 0.214 342 D C 0.114 176.462 176.300 0.080 0.000 1.093 342 D CA 0.134 54.164 54.000 0.050 0.000 0.837 342 D CB 0.773 41.570 40.800 -0.006 0.000 0.948 342 D HN 0.190 nan 8.370 nan 0.000 0.507 343 S N -1.047 114.723 115.700 0.117 0.000 2.715 343 S HA 0.328 4.797 4.470 -0.001 0.000 0.307 343 S C 0.812 175.453 174.600 0.069 0.000 1.119 343 S CA -0.722 57.507 58.200 0.048 0.000 0.937 343 S CB 2.594 65.776 63.200 -0.029 0.000 1.150 343 S HN -0.110 nan 8.310 nan 0.000 0.521 344 E N 0.423 120.615 120.200 -0.013 0.000 2.427 344 E HA 0.068 4.418 4.350 -0.001 0.000 0.196 344 E C -0.410 175.977 176.600 -0.355 0.000 1.028 344 E CA 0.482 56.865 56.400 -0.028 0.000 0.864 344 E CB -0.277 29.416 29.700 -0.012 0.000 0.813 344 E HN 0.722 nan 8.360 nan 0.000 0.514 345 S N 0.938 116.359 115.700 -0.465 0.000 3.628 345 S HA -0.178 4.291 4.470 -0.001 0.000 0.373 345 S C -0.462 173.765 174.600 -0.621 0.000 0.968 345 S CA 0.672 58.442 58.200 -0.717 0.000 1.215 345 S CB -1.185 61.189 63.200 -1.376 0.000 0.912 345 S HN 0.306 nan 8.310 nan 0.000 0.495 346 K N 0.948 121.127 120.400 -0.369 0.000 2.368 346 K HA 0.279 4.599 4.320 -0.001 0.000 0.282 346 K C 0.323 176.735 176.600 -0.314 0.000 1.035 346 K CA -0.138 55.985 56.287 -0.273 0.000 0.973 346 K CB 0.411 32.813 32.500 -0.165 0.000 0.957 346 K HN 0.223 nan 8.250 nan 0.000 0.474 347 I N 2.839 123.234 120.570 -0.291 0.000 2.336 347 I HA 0.044 4.214 4.170 -0.001 0.000 0.292 347 I C 1.008 177.053 176.117 -0.120 0.000 0.991 347 I CA -0.316 60.830 61.300 -0.257 0.000 1.227 347 I CB 1.090 38.939 38.000 -0.252 0.000 1.366 347 I HN 0.677 nan 8.210 nan 0.000 0.466 348 S N 6.083 121.727 115.700 -0.094 0.000 2.608 348 S HA 0.180 4.650 4.470 -0.001 0.000 0.261 348 S C 1.194 175.796 174.600 0.004 0.000 1.314 348 S CA -0.310 57.861 58.200 -0.049 0.000 0.992 348 S CB 1.337 64.515 63.200 -0.038 0.000 0.935 348 S HN 0.612 nan 8.310 nan 0.000 0.564 349 R N 0.865 121.363 120.500 -0.004 0.000 2.096 349 R HA -0.054 4.285 4.340 -0.001 0.000 0.235 349 R C 1.810 178.179 176.300 0.114 0.000 1.127 349 R CA 1.984 58.099 56.100 0.024 0.000 0.968 349 R CB -0.948 29.352 30.300 0.001 0.000 0.861 349 R HN 0.853 nan 8.270 nan 0.000 0.440 350 E N -0.060 120.186 120.200 0.077 0.000 2.107 350 E HA -0.079 4.270 4.350 -0.001 0.000 0.191 350 E C 1.498 178.151 176.600 0.088 0.000 0.982 350 E CA 1.310 57.759 56.400 0.082 0.000 0.809 350 E CB -0.149 29.579 29.700 0.048 0.000 0.756 350 E HN 0.304 nan 8.360 nan 0.000 0.459 351 D N -0.228 120.213 120.400 0.069 0.000 2.178 351 D HA -0.120 4.520 4.640 -0.001 0.000 0.202 351 D C 1.554 177.919 176.300 0.108 0.000 0.974 351 D CA 0.500 54.535 54.000 0.059 0.000 0.841 351 D CB -0.201 40.596 40.800 -0.005 0.000 0.953 351 D HN 0.116 nan 8.370 nan 0.000 0.478 352 F N 1.355 121.305 119.950 -0.000 0.000 2.102 352 F HA -0.225 4.301 4.527 -0.001 0.000 0.298 352 F C 2.224 178.048 175.800 0.040 0.000 1.105 352 F CA 1.298 59.311 58.000 0.023 0.000 1.239 352 F CB -0.117 38.874 39.000 -0.014 0.000 0.991 352 F HN -0.177 nan 8.300 nan 0.000 0.474 353 M N -0.278 119.433 119.600 0.186 0.000 2.080 353 M HA -0.205 4.275 4.480 -0.001 0.000 0.260 353 M C 2.345 178.640 176.300 -0.007 0.000 1.068 353 M CA 1.677 57.032 55.300 0.093 0.000 1.109 353 M CB -1.703 30.979 32.600 0.136 0.000 1.342 353 M HN 0.115 nan 8.290 nan 0.000 0.405 354 S N 0.725 116.434 115.700 0.015 0.000 2.368 354 S HA -0.077 4.393 4.470 -0.001 0.000 0.225 354 S C 2.092 176.677 174.600 -0.025 0.000 1.030 354 S CA 1.416 59.620 58.200 0.006 0.000 0.999 354 S CB -0.845 62.374 63.200 0.031 0.000 0.844 354 S HN 0.687 nan 8.310 nan 0.000 0.459 355 G N 1.331 110.103 108.800 -0.046 0.000 2.418 355 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.217 355 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.217 355 G C 1.457 176.264 174.900 -0.156 0.000 1.158 355 G CA 1.005 46.062 45.100 -0.071 0.000 0.771 355 G HN 0.421 nan 8.290 nan 0.000 0.545 356 V N 0.742 120.500 119.914 -0.260 0.000 2.332 356 V HA -0.146 3.973 4.120 -0.001 0.000 0.248 356 V C 2.832 178.853 176.094 -0.123 0.000 1.055 356 V CA 1.969 64.134 62.300 -0.225 0.000 1.038 356 V CB -0.314 31.371 31.823 -0.230 0.000 0.651 356 V HN 0.227 nan 8.190 nan 0.000 0.450 357 K N 0.040 120.385 120.400 -0.091 0.000 2.057 357 K HA -0.089 4.231 4.320 -0.001 0.000 0.207 357 K C 2.026 178.582 176.600 -0.074 0.000 1.049 357 K CA 1.520 57.761 56.287 -0.076 0.000 0.931 357 K CB -0.434 32.039 32.500 -0.044 0.000 0.714 357 K HN 0.430 nan 8.250 nan 0.000 0.440 358 L N 0.478 121.671 121.223 -0.050 0.000 2.156 358 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 358 L C 2.224 179.078 176.870 -0.027 0.000 1.095 358 L CA 0.839 55.665 54.840 -0.024 0.000 0.770 358 L CB -0.215 41.842 42.059 -0.004 0.000 0.914 358 L HN 0.031 nan 8.230 nan 0.000 0.439 359 S N -0.931 114.736 115.700 -0.055 0.000 2.436 359 S HA 0.000 4.470 4.470 -0.001 0.000 0.228 359 S C 0.957 175.506 174.600 -0.085 0.000 1.014 359 S CA 0.502 58.670 58.200 -0.053 0.000 0.950 359 S CB 0.273 63.420 63.200 -0.089 0.000 0.784 359 S HN 0.160 nan 8.310 nan 0.000 0.504 360 V N 3.006 122.836 119.914 -0.140 0.000 2.468 360 V HA 0.207 4.326 4.120 -0.001 0.000 0.256 360 V C -1.801 174.116 176.094 -0.296 0.000 0.998 360 V CA -1.325 60.818 62.300 -0.260 0.000 1.114 360 V CB 0.868 32.513 31.823 -0.297 0.000 1.378 360 V HN 0.173 nan 8.190 nan 0.000 0.573 361 P HA -0.202 nan 4.420 nan 0.000 0.218 361 P C 1.144 178.012 177.300 -0.719 0.000 1.146 361 P CA 1.604 64.504 63.100 -0.333 0.000 0.813 361 P CB 0.041 31.655 31.700 -0.144 0.000 0.778 362 H N -0.941 117.791 119.070 -0.563 0.000 2.539 362 H HA 0.434 4.990 4.556 -0.001 0.000 0.267 362 H C 0.549 175.696 175.328 -0.302 0.000 0.982 362 H CA -0.112 55.621 56.048 -0.524 0.000 1.146 362 H CB -0.659 28.975 29.762 -0.213 0.000 1.382 362 H HN -0.012 nan 8.280 nan 0.000 0.577 363 A N 2.400 124.859 122.820 -0.602 0.000 2.354 363 A HA 0.263 4.583 4.320 -0.001 0.000 0.269 363 A C 0.391 177.835 177.584 -0.233 0.000 1.109 363 A CA -0.461 51.336 52.037 -0.401 0.000 0.800 363 A CB 0.445 19.211 19.000 -0.389 0.000 1.045 363 A HN 0.650 nan 8.150 nan 0.000 0.489 364 N N 1.142 119.748 118.700 -0.157 0.000 2.366 364 N HA 0.129 4.869 4.740 -0.001 0.000 0.277 364 N C -0.099 175.364 175.510 -0.078 0.000 1.275 364 N CA -0.264 52.728 53.050 -0.098 0.000 0.964 364 N CB 0.077 38.523 38.487 -0.068 0.000 1.167 364 N HN 0.464 nan 8.380 nan 0.000 0.568 365 D N -0.656 119.717 120.400 -0.046 0.000 2.144 365 D HA -0.095 4.545 4.640 -0.001 0.000 0.199 365 D C 1.640 177.935 176.300 -0.009 0.000 0.984 365 D CA 0.636 54.622 54.000 -0.023 0.000 0.834 365 D CB -0.111 40.683 40.800 -0.009 0.000 0.955 365 D HN 0.427 nan 8.370 nan 0.000 0.465 366 L N 0.405 121.619 121.223 -0.014 0.000 2.046 366 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 366 L C 2.198 179.073 176.870 0.009 0.000 1.077 366 L CA 1.693 56.535 54.840 0.003 0.000 0.747 366 L CB -0.742 41.310 42.059 -0.011 0.000 0.896 366 L HN 0.115 nan 8.230 nan 0.000 0.432 367 G N -0.015 108.762 108.800 -0.039 0.000 2.421 367 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.216 367 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.216 367 G C 1.587 176.485 174.900 -0.004 0.000 1.171 367 G CA 0.707 45.773 45.100 -0.057 0.000 0.775 367 G HN 0.346 nan 8.290 nan 0.000 0.543 368 L N 0.530 121.740 121.223 -0.021 0.000 2.042 368 L HA -0.090 4.250 4.340 -0.001 0.000 0.210 368 L C 2.532 179.448 176.870 0.077 0.000 1.076 368 L CA 1.290 56.135 54.840 0.008 0.000 0.749 368 L CB -0.437 41.614 42.059 -0.013 0.000 0.893 368 L HN 0.113 nan 8.230 nan 0.000 0.432 369 D N 0.246 120.697 120.400 0.084 0.000 2.117 369 D HA -0.148 4.492 4.640 -0.001 0.000 0.197 369 D C 2.251 178.649 176.300 0.163 0.000 0.987 369 D CA 1.492 55.566 54.000 0.125 0.000 0.829 369 D CB -0.046 40.811 40.800 0.095 0.000 0.961 369 D HN 0.320 nan 8.370 nan 0.000 0.460 370 A N 0.795 123.724 122.820 0.181 0.000 1.883 370 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 370 A C 2.578 180.298 177.584 0.226 0.000 1.186 370 A CA 1.460 53.666 52.037 0.281 0.000 0.624 370 A CB -0.850 18.412 19.000 0.435 0.000 0.822 370 A HN 0.145 nan 8.150 nan 0.000 0.444 371 V N -0.314 119.746 119.914 0.242 0.000 2.295 371 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 371 V C 2.761 178.965 176.094 0.183 0.000 1.049 371 V CA 2.536 64.917 62.300 0.135 0.000 1.024 371 V CB -1.356 30.561 31.823 0.158 0.000 0.648 371 V HN 0.616 nan 8.190 nan 0.000 0.447 372 T N 0.514 115.202 114.554 0.223 0.000 2.684 372 T HA -0.212 4.138 4.350 -0.001 0.000 0.267 372 T C 1.894 176.775 174.700 0.302 0.000 1.036 372 T CA 1.935 64.241 62.100 0.344 0.000 1.148 372 T CB -0.391 68.687 68.868 0.350 0.000 0.863 372 T HN 0.290 nan 8.240 nan 0.000 0.436 373 L N 1.334 122.723 121.223 0.278 0.000 2.017 373 L HA -0.072 4.267 4.340 -0.001 0.000 0.208 373 L C 2.488 179.422 176.870 0.105 0.000 1.073 373 L CA 1.879 56.911 54.840 0.321 0.000 0.745 373 L CB -0.940 41.256 42.059 0.230 0.000 0.894 373 L HN 0.146 nan 8.230 nan 0.000 0.432 374 Q N -1.496 118.255 119.800 -0.083 0.000 2.226 374 Q HA -0.206 4.133 4.340 -0.001 0.000 0.204 374 Q C 1.017 176.776 176.000 -0.403 0.000 0.975 374 Q CA 1.855 57.433 55.803 -0.376 0.000 0.866 374 Q CB -0.187 28.008 28.738 -0.905 0.000 0.915 374 Q HN 0.696 nan 8.270 nan 0.000 0.440 375 Y N -1.336 118.913 120.300 -0.086 0.000 2.531 375 Y HA 0.336 4.886 4.550 -0.001 0.000 0.249 375 Y C -0.260 175.567 175.900 -0.120 0.000 1.168 375 Y CA -0.263 57.833 58.100 -0.007 0.000 1.226 375 Y CB 1.045 39.614 38.460 0.181 0.000 1.177 375 Y HN -0.177 nan 8.280 nan 0.000 0.527 376 T N 0.630 115.061 114.554 -0.205 0.000 2.794 376 T HA 0.106 4.455 4.350 -0.001 0.000 0.280 376 T C -0.828 173.481 174.700 -0.653 0.000 0.987 376 T CA -0.652 61.059 62.100 -0.648 0.000 0.993 376 T CB 1.148 69.286 68.868 -1.216 0.000 0.939 376 T HN -0.016 nan 8.240 nan 0.000 0.449 377 D N 1.972 122.055 120.400 -0.529 0.000 2.441 377 D HA 0.114 4.754 4.640 -0.001 0.000 0.221 377 D C 0.053 176.140 176.300 -0.355 0.000 1.156 377 D CA -0.786 53.023 54.000 -0.319 0.000 0.896 377 D CB 0.285 40.967 40.800 -0.196 0.000 1.028 377 D HN 0.609 nan 8.370 nan 0.000 0.509 378 W N 2.881 124.139 121.300 -0.070 0.000 2.848 378 W HA 0.037 4.697 4.660 -0.001 0.000 0.241 378 W C 2.030 178.519 176.519 -0.051 0.000 1.289 378 W CA -0.207 57.101 57.345 -0.062 0.000 1.396 378 W CB -0.080 29.350 29.460 -0.051 0.000 1.138 378 W HN 0.427 nan 8.180 nan 0.000 0.677 379 M N -0.203 119.455 119.600 0.096 0.000 2.502 379 M HA 0.001 4.481 4.480 -0.001 0.000 0.243 379 M C -0.026 176.281 176.300 0.012 0.000 1.130 379 M CA 1.089 56.423 55.300 0.058 0.000 1.055 379 M CB 0.456 33.074 32.600 0.031 0.000 1.457 379 M HN -0.253 nan 8.290 nan 0.000 0.488 380 D N -0.298 120.081 120.400 -0.035 0.000 3.671 380 D HA -0.013 4.626 4.640 -0.001 0.000 0.291 380 D C 0.063 176.282 176.300 -0.135 0.000 1.373 380 D CA 0.100 54.062 54.000 -0.064 0.000 0.753 380 D CB 0.175 40.938 40.800 -0.061 0.000 1.338 380 D HN 0.353 nan 8.370 nan 0.000 0.690 381 D N -0.768 119.543 120.400 -0.149 0.000 2.310 381 D HA -0.120 4.520 4.640 -0.001 0.000 0.212 381 D C 0.462 176.629 176.300 -0.222 0.000 0.965 381 D CA 0.246 54.078 54.000 -0.280 0.000 0.879 381 D CB 0.168 40.801 40.800 -0.278 0.000 0.921 381 D HN 0.156 nan 8.370 nan 0.000 0.510 382 N N 0.841 119.466 118.700 -0.125 0.000 2.276 382 N HA -0.030 4.710 4.740 -0.001 0.000 0.212 382 N C -0.064 175.386 175.510 -0.100 0.000 1.127 382 N CA -0.161 52.830 53.050 -0.100 0.000 0.834 382 N CB 0.024 38.480 38.487 -0.053 0.000 1.014 382 N HN 0.175 nan 8.380 nan 0.000 0.491 383 N N 0.865 119.492 118.700 -0.121 0.000 2.420 383 N HA 0.060 4.800 4.740 -0.001 0.000 0.262 383 N C 1.255 176.700 175.510 -0.108 0.000 1.144 383 N CA 0.026 53.017 53.050 -0.098 0.000 0.952 383 N CB 1.098 39.529 38.487 -0.094 0.000 1.081 383 N HN 0.137 nan 8.380 nan 0.000 0.480 384 G N 4.070 112.815 108.800 -0.091 0.000 2.422 384 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.218 384 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.218 384 G C 1.553 176.398 174.900 -0.093 0.000 1.146 384 G CA 0.457 45.495 45.100 -0.104 0.000 0.769 384 G HN 0.692 nan 8.290 nan 0.000 0.547 385 I N 0.080 120.614 120.570 -0.061 0.000 2.315 385 I HA -0.093 4.076 4.170 -0.001 0.000 0.248 385 I C 2.761 178.880 176.117 0.002 0.000 1.117 385 I CA 1.003 62.289 61.300 -0.024 0.000 1.404 385 I CB -0.077 37.921 38.000 -0.003 0.000 1.071 385 I HN 0.097 nan 8.210 nan 0.000 0.419 386 K N 0.501 120.883 120.400 -0.029 0.000 2.097 386 K HA -0.106 4.214 4.320 -0.001 0.000 0.205 386 K C 1.849 178.430 176.600 -0.031 0.000 1.050 386 K CA 1.103 57.372 56.287 -0.030 0.000 0.938 386 K CB -0.151 32.296 32.500 -0.088 0.000 0.718 386 K HN 0.275 nan 8.250 nan 0.000 0.442 387 N N 0.894 119.544 118.700 -0.083 0.000 2.142 387 N HA -0.155 4.584 4.740 -0.001 0.000 0.186 387 N C 1.713 177.371 175.510 0.245 0.000 1.023 387 N CA 0.846 53.873 53.050 -0.038 0.000 0.852 387 N CB -0.185 38.248 38.487 -0.090 0.000 0.998 387 N HN 0.161 nan 8.380 nan 0.000 0.424 388 R N 1.309 121.871 120.500 0.103 0.000 2.073 388 R HA -0.103 4.237 4.340 -0.001 0.000 0.234 388 R C 0.637 177.111 176.300 0.290 0.000 1.134 388 R CA 1.476 57.658 56.100 0.137 0.000 0.952 388 R CB -0.220 30.045 30.300 -0.058 0.000 0.850 388 R HN 0.113 nan 8.270 nan 0.000 0.433 389 D N -0.583 119.952 120.400 0.224 0.000 2.178 389 D HA -0.063 4.576 4.640 -0.001 0.000 0.202 389 D C 1.727 178.189 176.300 0.269 0.000 0.974 389 D CA 1.366 55.513 54.000 0.245 0.000 0.841 389 D CB -0.511 40.401 40.800 0.186 0.000 0.953 389 D HN 0.496 nan 8.370 nan 0.000 0.478 390 G N 0.788 109.764 108.800 0.294 0.000 2.418 390 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.217 390 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.217 390 G C 1.742 176.828 174.900 0.310 0.000 1.158 390 G CA 0.172 45.505 45.100 0.389 0.000 0.771 390 G HN 0.247 nan 8.290 nan 0.000 0.545 391 L N 0.142 121.562 121.223 0.329 0.000 2.056 391 L HA -0.068 4.272 4.340 -0.001 0.000 0.207 391 L C 2.625 179.548 176.870 0.088 0.000 1.078 391 L CA 1.254 56.153 54.840 0.098 0.000 0.749 391 L CB -0.273 41.899 42.059 0.189 0.000 0.901 391 L HN 0.188 nan 8.230 nan 0.000 0.433 392 D N 0.161 120.684 120.400 0.205 0.000 2.104 392 D HA -0.231 4.409 4.640 -0.001 0.000 0.194 392 D C 1.686 178.071 176.300 0.141 0.000 0.994 392 D CA 1.431 55.548 54.000 0.197 0.000 0.830 392 D CB 0.041 41.011 40.800 0.283 0.000 0.959 392 D HN 0.257 nan 8.370 nan 0.000 0.452 393 D N -0.084 120.414 120.400 0.163 0.000 2.144 393 D HA -0.093 4.547 4.640 -0.001 0.000 0.200 393 D C 2.366 178.669 176.300 0.005 0.000 0.978 393 D CA 0.335 54.441 54.000 0.176 0.000 0.833 393 D CB -0.164 40.852 40.800 0.359 0.000 0.961 393 D HN 0.359 nan 8.370 nan 0.000 0.470 394 I N 0.568 120.985 120.570 -0.255 0.000 2.127 394 I HA -0.260 3.910 4.170 -0.001 0.000 0.241 394 I C 2.470 178.438 176.117 -0.249 0.000 1.075 394 I CA 0.757 61.811 61.300 -0.410 0.000 1.334 394 I CB -0.175 37.566 38.000 -0.431 0.000 1.040 394 I HN -0.115 nan 8.210 nan 0.000 0.405 395 V N 0.842 120.668 119.914 -0.147 0.000 2.295 395 V HA -0.232 3.887 4.120 -0.001 0.000 0.246 395 V C 2.522 178.512 176.094 -0.173 0.000 1.049 395 V CA 2.245 64.475 62.300 -0.116 0.000 1.024 395 V CB -1.473 30.361 31.823 0.018 0.000 0.648 395 V HN 0.596 nan 8.190 nan 0.000 0.447 396 G N -0.515 108.246 108.800 -0.065 0.000 2.402 396 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.216 396 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.216 396 G C 1.237 176.061 174.900 -0.126 0.000 1.162 396 G CA 0.904 45.977 45.100 -0.045 0.000 0.777 396 G HN 0.494 nan 8.290 nan 0.000 0.539 397 D N -0.111 120.215 120.400 -0.124 0.000 2.097 397 D HA -0.096 4.544 4.640 -0.001 0.000 0.195 397 D C 2.080 178.052 176.300 -0.546 0.000 0.989 397 D CA 1.345 55.240 54.000 -0.175 0.000 0.827 397 D CB -0.479 40.359 40.800 0.064 0.000 0.966 397 D HN 0.425 nan 8.370 nan 0.000 0.456 398 H N 0.933 119.355 119.070 -1.079 0.000 2.321 398 H HA 0.019 4.575 4.556 -0.001 0.000 0.300 398 H C 1.522 176.461 175.328 -0.648 0.000 1.087 398 H CA 1.774 57.068 56.048 -1.257 0.000 1.319 398 H CB 0.030 28.870 29.762 -1.538 0.000 1.379 398 H HN -0.002 nan 8.280 nan 0.000 0.501 399 N N -0.700 117.522 118.700 -0.796 0.000 2.395 399 N HA -0.013 4.727 4.740 -0.001 0.000 0.175 399 N C 1.169 176.413 175.510 -0.442 0.000 1.029 399 N CA 1.086 53.626 53.050 -0.850 0.000 0.897 399 N CB 1.017 38.506 38.487 -1.663 0.000 0.991 399 N HN 0.279 nan 8.380 nan 0.000 0.441 400 V N 0.409 120.136 119.914 -0.313 0.000 3.278 400 V HA 0.152 4.272 4.120 -0.001 0.000 0.215 400 V C 2.060 178.130 176.094 -0.039 0.000 1.287 400 V CA -0.058 62.199 62.300 -0.071 0.000 1.302 400 V CB 0.113 31.963 31.823 0.045 0.000 1.228 400 V HN -0.061 nan 8.190 nan 0.000 0.523 401 I N 0.592 121.148 120.570 -0.022 0.000 2.142 401 I HA -0.283 3.887 4.170 -0.001 0.000 0.240 401 I C 2.534 178.660 176.117 0.014 0.000 1.078 401 I CA 1.903 63.217 61.300 0.025 0.000 1.343 401 I CB -0.463 37.586 38.000 0.081 0.000 1.046 401 I HN 0.387 nan 8.210 nan 0.000 0.405 402 c N 0.589 119.185 118.600 -0.006 0.000 2.440 402 c HA -0.022 4.548 4.570 -0.001 0.000 0.278 402 c C 0.234 174.354 174.090 0.050 0.000 1.295 402 c CA 0.576 56.944 56.329 0.065 0.000 1.738 402 c CB -1.756 40.839 42.510 0.142 0.000 1.987 402 c HN 0.356 nan 8.230 nan 0.000 0.492 403 P HA -0.088 nan 4.420 nan 0.000 0.216 403 P C 1.756 179.086 177.300 0.050 0.000 1.153 403 P CA 1.038 64.118 63.100 -0.033 0.000 0.848 403 P CB -0.165 31.427 31.700 -0.180 0.000 0.787 404 L N -1.734 119.497 121.223 0.014 0.000 2.046 404 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 404 L C 2.100 179.016 176.870 0.077 0.000 1.077 404 L CA 1.706 56.570 54.840 0.040 0.000 0.747 404 L CB -0.552 41.502 42.059 -0.009 0.000 0.896 404 L HN -0.100 nan 8.230 nan 0.000 0.432 405 M N -1.149 118.485 119.600 0.058 0.000 2.159 405 M HA -0.218 4.261 4.480 -0.001 0.000 0.263 405 M C 2.267 178.634 176.300 0.112 0.000 1.063 405 M CA 1.623 56.955 55.300 0.054 0.000 1.110 405 M CB -1.567 31.079 32.600 0.076 0.000 1.374 405 M HN 0.421 nan 8.290 nan 0.000 0.411 406 H N -0.214 118.896 119.070 0.066 0.000 2.357 406 H HA -0.156 4.400 4.556 -0.001 0.000 0.301 406 H C 1.822 177.197 175.328 0.077 0.000 1.082 406 H CA 1.867 57.960 56.048 0.075 0.000 1.342 406 H CB -0.336 29.468 29.762 0.070 0.000 1.389 406 H HN 0.232 nan 8.280 nan 0.000 0.511 407 F N 0.296 120.209 119.950 -0.062 0.000 2.102 407 F HA -0.180 4.346 4.527 -0.001 0.000 0.298 407 F C 2.239 177.961 175.800 -0.131 0.000 1.105 407 F CA 1.506 59.425 58.000 -0.134 0.000 1.239 407 F CB -0.807 38.118 39.000 -0.124 0.000 0.991 407 F HN 0.065 nan 8.300 nan 0.000 0.474 408 V N 1.110 120.928 119.914 -0.159 0.000 2.287 408 V HA -0.351 3.769 4.120 -0.001 0.000 0.248 408 V C 2.312 178.268 176.094 -0.229 0.000 1.053 408 V CA 2.329 64.438 62.300 -0.318 0.000 1.027 408 V CB -0.801 30.771 31.823 -0.418 0.000 0.646 408 V HN 0.426 nan 8.190 nan 0.000 0.447 409 N N -0.236 118.409 118.700 -0.092 0.000 2.171 409 N HA -0.107 4.632 4.740 -0.001 0.000 0.184 409 N C 1.868 177.360 175.510 -0.031 0.000 1.021 409 N CA 0.911 53.993 53.050 0.054 0.000 0.854 409 N CB -0.156 38.394 38.487 0.105 0.000 0.994 409 N HN 0.392 nan 8.380 nan 0.000 0.426 410 K N 0.604 120.900 120.400 -0.172 0.000 2.097 410 K HA -0.122 4.197 4.320 -0.001 0.000 0.205 410 K C 1.922 178.497 176.600 -0.042 0.000 1.050 410 K CA 0.689 56.903 56.287 -0.120 0.000 0.938 410 K CB -0.681 31.675 32.500 -0.240 0.000 0.718 410 K HN 0.298 nan 8.250 nan 0.000 0.442 411 Y N 2.252 122.312 120.300 -0.401 0.000 2.133 411 Y HA -0.212 4.338 4.550 -0.001 0.000 0.287 411 Y C 2.276 178.165 175.900 -0.020 0.000 1.134 411 Y CA 1.965 59.806 58.100 -0.432 0.000 1.133 411 Y CB -0.458 37.426 38.460 -0.960 0.000 0.987 411 Y HN 0.021 nan 8.280 nan 0.000 0.502 412 T N 0.603 115.198 114.554 0.069 0.000 2.822 412 T HA -0.265 4.084 4.350 -0.001 0.000 0.270 412 T C 1.833 176.546 174.700 0.022 0.000 1.064 412 T CA 1.767 63.942 62.100 0.124 0.000 1.131 412 T CB -0.304 68.735 68.868 0.285 0.000 0.858 412 T HN 0.312 nan 8.240 nan 0.000 0.483 413 K N -0.177 120.213 120.400 -0.018 0.000 2.147 413 K HA -0.061 4.258 4.320 -0.001 0.000 0.205 413 K C 1.243 177.620 176.600 -0.372 0.000 1.049 413 K CA 1.358 57.531 56.287 -0.190 0.000 0.936 413 K CB -0.095 32.263 32.500 -0.236 0.000 0.722 413 K HN 0.375 nan 8.250 nan 0.000 0.446 414 F N -0.384 119.506 119.950 -0.101 0.000 2.727 414 F HA 0.277 4.804 4.527 -0.001 0.000 0.302 414 F C 1.403 177.097 175.800 -0.178 0.000 1.107 414 F CA -0.172 57.734 58.000 -0.156 0.000 1.277 414 F CB 0.180 39.025 39.000 -0.260 0.000 1.079 414 F HN -0.024 nan 8.300 nan 0.000 0.594 415 G N -0.141 108.603 108.800 -0.094 0.000 2.653 415 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.265 415 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.265 415 G C 0.392 175.341 174.900 0.082 0.000 1.237 415 G CA -0.318 44.749 45.100 -0.054 0.000 0.946 415 G HN 0.273 nan 8.290 nan 0.000 0.522 416 N N -0.545 118.251 118.700 0.161 0.000 2.234 416 N HA 0.263 5.003 4.740 -0.001 0.000 0.227 416 N C 0.275 175.865 175.510 0.133 0.000 1.151 416 N CA 0.442 53.563 53.050 0.118 0.000 0.865 416 N CB 0.409 38.958 38.487 0.104 0.000 1.066 416 N HN 0.841 nan 8.380 nan 0.000 0.515 417 G N 0.538 109.435 108.800 0.162 0.000 2.088 417 G HA2 0.035 3.995 3.960 -0.001 0.000 0.222 417 G HA3 0.035 3.995 3.960 -0.001 0.000 0.222 417 G C -1.317 173.640 174.900 0.095 0.000 1.690 417 G CA -0.691 44.472 45.100 0.106 0.000 0.923 417 G HN 0.012 nan 8.290 nan 0.000 0.730 418 T N 1.749 116.237 114.554 -0.111 0.000 2.848 418 T HA 0.668 5.018 4.350 -0.001 0.000 0.285 418 T C -1.213 173.220 174.700 -0.444 0.000 0.995 418 T CA -0.330 61.696 62.100 -0.124 0.000 0.970 418 T CB 1.265 70.156 68.868 0.038 0.000 0.976 418 T HN 0.408 nan 8.240 nan 0.000 0.441 419 Y N 2.148 122.356 120.300 -0.153 0.000 2.338 419 Y HA 0.648 5.198 4.550 -0.001 0.000 0.333 419 Y C -0.462 175.460 175.900 0.037 0.000 0.968 419 Y CA -1.136 56.817 58.100 -0.245 0.000 1.123 419 Y CB 1.504 39.354 38.460 -1.017 0.000 1.165 419 Y HN 0.448 nan 8.280 nan 0.000 0.452 420 L N 5.939 127.503 121.223 0.567 0.000 2.329 420 L HA 0.648 4.987 4.340 -0.001 0.000 0.279 420 L C -1.275 176.055 176.870 0.766 0.000 1.014 420 L CA -0.953 54.172 54.840 0.475 0.000 0.814 420 L CB 0.809 43.002 42.059 0.224 0.000 1.257 420 L HN 0.534 nan 8.230 nan 0.000 0.424 421 Y N 3.095 123.713 120.300 0.530 0.000 2.605 421 Y HA 0.733 5.283 4.550 -0.001 0.000 0.343 421 Y C -1.776 174.397 175.900 0.456 0.000 1.036 421 Y CA -2.010 56.343 58.100 0.421 0.000 1.065 421 Y CB 1.310 39.958 38.460 0.313 0.000 1.288 421 Y HN 0.530 nan 8.280 nan 0.000 0.481 422 F N 4.143 124.434 119.950 0.569 0.000 2.513 422 F HA 0.463 4.990 4.527 -0.001 0.000 0.358 422 F C -1.895 174.215 175.800 0.517 0.000 1.118 422 F CA -1.906 56.355 58.000 0.435 0.000 1.037 422 F CB 0.681 39.915 39.000 0.391 0.000 1.276 422 F HN 0.563 nan 8.300 nan 0.000 0.446 423 F N 7.960 127.978 119.950 0.113 0.000 2.421 423 F HA 0.302 4.829 4.527 -0.001 0.000 0.358 423 F C 0.244 175.881 175.800 -0.270 0.000 1.115 423 F CA -0.242 57.765 58.000 0.011 0.000 1.160 423 F CB 0.547 39.636 39.000 0.147 0.000 1.123 423 F HN 0.542 nan 8.300 nan 0.000 0.508 424 N N 3.427 121.744 118.700 -0.639 0.000 2.517 424 N HA 0.076 4.815 4.740 -0.001 0.000 0.285 424 N C -1.232 174.021 175.510 -0.428 0.000 1.528 424 N CA -0.496 52.276 53.050 -0.464 0.000 0.892 424 N CB -0.691 37.673 38.487 -0.204 0.000 1.356 424 N HN 0.639 nan 8.380 nan 0.000 0.495 425 H N 0.579 119.096 119.070 -0.921 0.000 2.519 425 H HA 0.439 4.995 4.556 -0.001 0.000 0.316 425 H C -0.448 174.717 175.328 -0.271 0.000 1.065 425 H CA -0.592 55.110 56.048 -0.577 0.000 1.264 425 H CB 0.984 30.319 29.762 -0.713 0.000 1.413 425 H HN 0.119 nan 8.280 nan 0.000 0.465 426 R N 4.164 124.272 120.500 -0.654 0.000 2.202 426 R HA 0.494 4.833 4.340 -0.001 0.000 0.334 426 R C -0.575 175.454 176.300 -0.450 0.000 1.036 426 R CA -0.595 55.295 56.100 -0.351 0.000 0.878 426 R CB 0.340 30.517 30.300 -0.204 0.000 1.067 426 R HN 0.804 nan 8.270 nan 0.000 0.457 427 A N 3.175 126.014 122.820 0.031 0.000 2.546 427 A HA 0.011 4.330 4.320 -0.001 0.000 0.243 427 A C 1.354 179.016 177.584 0.130 0.000 1.063 427 A CA 0.495 52.726 52.037 0.324 0.000 0.757 427 A CB 0.303 19.645 19.000 0.570 0.000 0.991 427 A HN 1.043 nan 8.150 nan 0.000 0.503 428 S N 1.873 117.682 115.700 0.182 0.000 2.419 428 S HA -0.205 4.264 4.470 -0.001 0.000 0.235 428 S C 0.959 175.552 174.600 -0.013 0.000 1.019 428 S CA 1.379 59.622 58.200 0.072 0.000 0.982 428 S CB -0.496 62.770 63.200 0.110 0.000 0.789 428 S HN 0.954 nan 8.310 nan 0.000 0.490 429 N N 0.635 119.292 118.700 -0.073 0.000 2.251 429 N HA 0.257 4.997 4.740 -0.001 0.000 0.217 429 N C -0.272 175.154 175.510 -0.140 0.000 1.124 429 N CA -0.477 52.473 53.050 -0.168 0.000 0.843 429 N CB -0.554 37.717 38.487 -0.360 0.000 1.024 429 N HN 0.354 nan 8.380 nan 0.000 0.501 430 L N 1.456 122.641 121.223 -0.064 0.000 2.499 430 L HA 0.017 4.357 4.340 -0.001 0.000 0.273 430 L C 1.305 178.106 176.870 -0.115 0.000 1.195 430 L CA 0.055 54.856 54.840 -0.065 0.000 0.882 430 L CB 0.998 43.034 42.059 -0.038 0.000 1.133 430 L HN 0.216 nan 8.230 nan 0.000 0.483 431 V N 1.148 120.939 119.914 -0.204 0.000 3.506 431 V HA 0.123 4.243 4.120 -0.001 0.000 0.263 431 V C 0.625 176.642 176.094 -0.129 0.000 1.203 431 V CA -0.396 61.768 62.300 -0.227 0.000 1.133 431 V CB -1.227 30.334 31.823 -0.437 0.000 0.802 431 V HN 0.659 nan 8.190 nan 0.000 0.459 432 W N 2.012 123.254 121.300 -0.097 0.000 2.161 432 W HA 0.495 5.154 4.660 -0.001 0.000 0.344 432 W C -1.654 174.727 176.519 -0.230 0.000 1.262 432 W CA -2.059 55.188 57.345 -0.164 0.000 1.270 432 W CB -0.048 29.172 29.460 -0.399 0.000 1.126 432 W HN 0.010 nan 8.180 nan 0.000 0.598 433 P HA -0.065 nan 4.420 nan 0.000 0.271 433 P C 0.334 177.540 177.300 -0.156 0.000 1.233 433 P CA 0.317 63.372 63.100 -0.075 0.000 0.789 433 P CB 0.963 32.649 31.700 -0.024 0.000 0.951 434 E N 1.153 121.335 120.200 -0.030 0.000 2.110 434 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 434 E C 1.918 178.538 176.600 0.033 0.000 0.988 434 E CA 1.409 57.808 56.400 -0.001 0.000 0.804 434 E CB -0.654 29.081 29.700 0.058 0.000 0.745 434 E HN 0.721 nan 8.360 nan 0.000 0.458 435 W N 0.503 121.829 121.300 0.043 0.000 2.364 435 W HA -0.105 4.554 4.660 -0.001 0.000 0.281 435 W C 1.497 178.055 176.519 0.065 0.000 1.219 435 W CA 0.568 57.950 57.345 0.062 0.000 1.220 435 W CB -0.844 28.665 29.460 0.081 0.000 1.127 435 W HN -0.010 nan 8.180 nan 0.000 0.556 436 M N 1.292 120.520 119.600 -0.620 0.000 2.492 436 M HA 0.121 4.600 4.480 -0.001 0.000 0.262 436 M C 1.796 177.946 176.300 -0.249 0.000 1.090 436 M CA 1.553 56.450 55.300 -0.672 0.000 1.110 436 M CB -0.717 31.259 32.600 -1.040 0.000 1.407 436 M HN 0.180 nan 8.290 nan 0.000 0.470 437 G N 0.564 109.282 108.800 -0.137 0.000 2.583 437 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.292 437 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.292 437 G C -0.158 174.709 174.900 -0.055 0.000 1.203 437 G CA -0.186 44.885 45.100 -0.048 0.000 0.987 437 G HN 0.216 nan 8.290 nan 0.000 0.554 438 V N 2.020 121.942 119.914 0.013 0.000 2.299 438 V HA 0.402 4.521 4.120 -0.001 0.000 0.255 438 V C 1.065 177.249 176.094 0.151 0.000 1.100 438 V CA -0.128 62.227 62.300 0.091 0.000 0.938 438 V CB 0.094 31.964 31.823 0.079 0.000 1.139 438 V HN 0.530 nan 8.190 nan 0.000 0.490 439 I N 2.853 123.487 120.570 0.106 0.000 2.754 439 I HA 0.101 4.271 4.170 -0.001 0.000 0.285 439 I C 0.929 177.303 176.117 0.428 0.000 1.166 439 I CA -0.389 60.990 61.300 0.132 0.000 1.417 439 I CB 0.183 38.038 38.000 -0.243 0.000 1.382 439 I HN 0.548 nan 8.210 nan 0.000 0.588 440 H N 4.111 123.365 119.070 0.307 0.000 3.157 440 H HA 0.169 4.725 4.556 -0.001 0.000 0.299 440 H C 0.949 176.480 175.328 0.338 0.000 0.961 440 H CA 1.035 57.279 56.048 0.328 0.000 1.428 440 H CB 0.139 30.115 29.762 0.356 0.000 1.459 440 H HN 0.746 nan 8.280 nan 0.000 0.566 441 G N 3.632 112.445 108.800 0.021 0.000 2.213 441 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.236 441 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.236 441 G C 0.635 175.571 174.900 0.060 0.000 0.991 441 G CA 0.337 45.423 45.100 -0.024 0.000 0.629 441 G HN 0.626 nan 8.290 nan 0.000 0.517 442 Y N 1.619 122.104 120.300 0.309 0.000 2.462 442 Y HA 0.233 4.782 4.550 -0.001 0.000 0.293 442 Y C 2.322 178.377 175.900 0.257 0.000 1.195 442 Y CA 1.050 59.356 58.100 0.343 0.000 1.276 442 Y CB 0.418 39.096 38.460 0.362 0.000 1.082 442 Y HN 0.503 nan 8.280 nan 0.000 0.514 443 E N -0.047 120.152 120.200 -0.002 0.000 2.415 443 E HA -0.037 4.313 4.350 -0.001 0.000 0.197 443 E C 1.610 178.158 176.600 -0.087 0.000 1.007 443 E CA 0.527 56.623 56.400 -0.508 0.000 0.890 443 E CB -0.467 28.559 29.700 -1.123 0.000 0.891 443 E HN 0.518 nan 8.360 nan 0.000 0.496 444 I N 2.752 123.365 120.570 0.072 0.000 2.163 444 I HA -0.316 3.854 4.170 -0.001 0.000 0.243 444 I C 2.635 178.813 176.117 0.101 0.000 1.085 444 I CA 2.160 63.555 61.300 0.159 0.000 1.347 444 I CB -0.492 37.658 38.000 0.249 0.000 1.044 444 I HN 0.215 nan 8.210 nan 0.000 0.408 445 E N 0.938 121.143 120.200 0.009 0.000 2.209 445 E HA -0.244 4.106 4.350 -0.001 0.000 0.196 445 E C 2.027 178.458 176.600 -0.283 0.000 0.993 445 E CA 1.542 57.861 56.400 -0.135 0.000 0.819 445 E CB -0.533 29.081 29.700 -0.144 0.000 0.745 445 E HN 0.450 nan 8.360 nan 0.000 0.477 446 F N 1.088 120.943 119.950 -0.157 0.000 2.234 446 F HA -0.030 4.497 4.527 -0.001 0.000 0.296 446 F C 2.401 178.025 175.800 -0.295 0.000 1.089 446 F CA 0.567 58.428 58.000 -0.232 0.000 1.343 446 F CB -0.158 38.741 39.000 -0.167 0.000 1.040 446 F HN -0.141 nan 8.300 nan 0.000 0.498 447 V N -0.982 118.841 119.914 -0.151 0.000 2.427 447 V HA -0.273 3.847 4.120 -0.001 0.000 0.248 447 V C 1.632 177.538 176.094 -0.313 0.000 1.051 447 V CA 1.611 63.680 62.300 -0.384 0.000 1.048 447 V CB -0.634 30.999 31.823 -0.317 0.000 0.666 447 V HN 0.208 nan 8.190 nan 0.000 0.456 448 F N 0.380 120.193 119.950 -0.228 0.000 2.732 448 F HA 0.403 4.929 4.527 -0.001 0.000 0.303 448 F C 1.806 177.513 175.800 -0.155 0.000 1.110 448 F CA 0.630 58.523 58.000 -0.178 0.000 1.355 448 F CB -0.189 38.692 39.000 -0.199 0.000 1.081 448 F HN 0.257 nan 8.300 nan 0.000 0.565 449 G N 0.030 108.746 108.800 -0.141 0.000 2.153 449 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.252 449 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.252 449 G C 1.183 175.774 174.900 -0.516 0.000 0.994 449 G CA 0.394 45.336 45.100 -0.263 0.000 0.698 449 G HN 0.253 nan 8.290 nan 0.000 0.521 450 L N 0.045 120.955 121.223 -0.522 0.000 2.081 450 L HA -0.073 4.267 4.340 -0.001 0.000 0.212 450 L C 0.322 176.816 176.870 -0.627 0.000 1.080 450 L CA 2.675 57.166 54.840 -0.581 0.000 0.754 450 L CB -1.986 39.864 42.059 -0.348 0.000 0.893 450 L HN 0.215 nan 8.230 nan 0.000 0.433 451 P HA -0.103 nan 4.420 nan 0.000 0.228 451 P C 1.846 178.923 177.300 -0.370 0.000 1.151 451 P CA 0.817 63.372 63.100 -0.909 0.000 0.770 451 P CB 0.054 31.077 31.700 -1.129 0.000 0.786 452 L N -2.266 118.736 121.223 -0.367 0.000 2.478 452 L HA 0.028 4.368 4.340 -0.001 0.000 0.223 452 L C 0.525 177.281 176.870 -0.190 0.000 1.140 452 L CA 0.403 55.107 54.840 -0.227 0.000 0.842 452 L CB -0.474 41.470 42.059 -0.190 0.000 0.953 452 L HN -0.201 nan 8.230 nan 0.000 0.452 453 V N 1.460 121.222 119.914 -0.254 0.000 2.339 453 V HA 0.030 4.149 4.120 -0.001 0.000 0.261 453 V C 1.454 177.512 176.094 -0.059 0.000 1.058 453 V CA -0.135 62.070 62.300 -0.159 0.000 0.897 453 V CB 1.049 32.745 31.823 -0.212 0.000 1.052 453 V HN 0.278 nan 8.190 nan 0.000 0.480 454 K N 3.882 124.260 120.400 -0.037 0.000 2.059 454 K HA -0.262 4.058 4.320 -0.001 0.000 0.212 454 K C 1.598 178.186 176.600 -0.020 0.000 1.050 454 K CA 2.390 58.667 56.287 -0.017 0.000 0.927 454 K CB 0.159 32.649 32.500 -0.017 0.000 0.714 454 K HN 0.743 nan 8.250 nan 0.000 0.447 455 E N 0.687 120.869 120.200 -0.029 0.000 2.396 455 E HA -0.145 4.205 4.350 -0.001 0.000 0.200 455 E C 1.478 178.042 176.600 -0.060 0.000 1.023 455 E CA 0.773 57.148 56.400 -0.041 0.000 0.857 455 E CB -0.081 29.597 29.700 -0.037 0.000 0.775 455 E HN 0.398 nan 8.360 nan 0.000 0.525 456 L N 0.460 121.654 121.223 -0.049 0.000 2.591 456 L HA 0.079 4.418 4.340 -0.001 0.000 0.228 456 L C -0.119 176.621 176.870 -0.215 0.000 1.133 456 L CA -0.150 54.632 54.840 -0.098 0.000 0.880 456 L CB -0.327 41.735 42.059 0.005 0.000 1.033 456 L HN 0.130 nan 8.230 nan 0.000 0.450 457 N N -1.172 117.452 118.700 -0.127 0.000 2.754 457 N HA -0.227 4.513 4.740 -0.001 0.000 0.248 457 N C -0.614 174.788 175.510 -0.180 0.000 1.093 457 N CA 0.870 53.832 53.050 -0.148 0.000 0.699 457 N CB -1.750 36.628 38.487 -0.181 0.000 1.016 457 N HN 0.300 nan 8.380 nan 0.000 0.552 458 Y N 0.416 120.682 120.300 -0.058 0.000 2.374 458 Y HA 0.355 4.904 4.550 -0.001 0.000 0.322 458 Y C 1.823 177.721 175.900 -0.003 0.000 1.275 458 Y CA -0.132 57.952 58.100 -0.027 0.000 1.307 458 Y CB 0.669 39.082 38.460 -0.079 0.000 1.282 458 Y HN 0.085 nan 8.280 nan 0.000 0.509 459 T N -1.881 112.804 114.554 0.217 0.000 2.816 459 T HA 0.420 4.769 4.350 -0.001 0.000 0.282 459 T C 1.175 175.936 174.700 0.101 0.000 0.993 459 T CA -0.265 61.912 62.100 0.129 0.000 0.994 459 T CB 1.189 70.135 68.868 0.130 0.000 1.025 459 T HN 0.758 nan 8.240 nan 0.000 0.529 460 A N 0.934 123.789 122.820 0.059 0.000 1.972 460 A HA -0.080 4.240 4.320 -0.001 0.000 0.219 460 A C 2.302 179.900 177.584 0.024 0.000 1.169 460 A CA 1.301 53.357 52.037 0.032 0.000 0.635 460 A CB -0.717 18.295 19.000 0.020 0.000 0.810 460 A HN 0.933 nan 8.150 nan 0.000 0.446 461 E N 0.536 120.756 120.200 0.033 0.000 2.208 461 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 461 E C 1.442 178.042 176.600 -0.000 0.000 0.988 461 E CA 1.179 57.584 56.400 0.007 0.000 0.828 461 E CB -0.571 29.130 29.700 0.002 0.000 0.763 461 E HN 0.785 nan 8.360 nan 0.000 0.478 462 E N 1.096 121.337 120.200 0.068 0.000 2.152 462 E HA -0.156 4.193 4.350 -0.001 0.000 0.192 462 E C 2.077 178.731 176.600 0.090 0.000 0.983 462 E CA 0.924 57.427 56.400 0.172 0.000 0.818 462 E CB -0.001 29.921 29.700 0.371 0.000 0.758 462 E HN 0.416 nan 8.360 nan 0.000 0.467 463 E N 0.877 121.075 120.200 -0.003 0.000 2.106 463 E HA -0.166 4.184 4.350 -0.001 0.000 0.192 463 E C 2.018 178.586 176.600 -0.053 0.000 0.984 463 E CA 0.906 57.259 56.400 -0.078 0.000 0.806 463 E CB -0.024 29.637 29.700 -0.064 0.000 0.750 463 E HN 0.195 nan 8.360 nan 0.000 0.458 464 A N 1.277 124.078 122.820 -0.031 0.000 1.902 464 A HA -0.151 4.169 4.320 -0.001 0.000 0.217 464 A C 2.151 179.707 177.584 -0.047 0.000 1.181 464 A CA 1.282 53.293 52.037 -0.043 0.000 0.623 464 A CB -0.675 18.303 19.000 -0.037 0.000 0.818 464 A HN 0.400 nan 8.150 nan 0.000 0.443 465 L N -0.127 121.079 121.223 -0.027 0.000 2.017 465 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 465 L C 2.566 179.454 176.870 0.030 0.000 1.073 465 L CA 2.639 57.459 54.840 -0.033 0.000 0.745 465 L CB -0.968 41.022 42.059 -0.115 0.000 0.894 465 L HN 0.345 nan 8.230 nan 0.000 0.432 466 S N -0.720 115.054 115.700 0.122 0.000 2.359 466 S HA -0.229 4.240 4.470 -0.001 0.000 0.224 466 S C 2.194 176.747 174.600 -0.077 0.000 1.035 466 S CA 1.516 59.743 58.200 0.045 0.000 1.018 466 S CB -0.230 62.889 63.200 -0.136 0.000 0.876 466 S HN 0.535 nan 8.310 nan 0.000 0.448 467 R N 0.250 120.698 120.500 -0.086 0.000 2.091 467 R HA -0.011 4.329 4.340 -0.001 0.000 0.238 467 R C 2.778 179.012 176.300 -0.110 0.000 1.136 467 R CA 1.602 57.645 56.100 -0.096 0.000 0.959 467 R CB -0.284 29.959 30.300 -0.094 0.000 0.856 467 R HN 0.379 nan 8.270 nan 0.000 0.437 468 R N 0.354 120.763 120.500 -0.151 0.000 2.073 468 R HA -0.101 4.239 4.340 -0.001 0.000 0.234 468 R C 2.337 178.417 176.300 -0.366 0.000 1.134 468 R CA 1.529 57.447 56.100 -0.303 0.000 0.952 468 R CB -0.352 29.769 30.300 -0.298 0.000 0.850 468 R HN 0.213 nan 8.270 nan 0.000 0.433 469 I N 0.485 120.954 120.570 -0.170 0.000 2.179 469 I HA -0.333 3.836 4.170 -0.001 0.000 0.242 469 I C 2.491 178.533 176.117 -0.126 0.000 1.088 469 I CA 1.422 62.657 61.300 -0.109 0.000 1.357 469 I CB -0.190 37.611 38.000 -0.331 0.000 1.051 469 I HN 0.241 nan 8.210 nan 0.000 0.409 470 M N -0.629 118.870 119.600 -0.169 0.000 2.108 470 M HA -0.278 4.201 4.480 -0.001 0.000 0.261 470 M C 2.413 178.756 176.300 0.072 0.000 1.066 470 M CA 1.832 57.070 55.300 -0.104 0.000 1.107 470 M CB -0.759 31.779 32.600 -0.103 0.000 1.356 470 M HN 0.294 nan 8.290 nan 0.000 0.406 471 H N -0.555 118.495 119.070 -0.033 0.000 2.428 471 H HA -0.106 4.450 4.556 -0.001 0.000 0.296 471 H C 1.496 176.924 175.328 0.168 0.000 1.062 471 H CA 1.626 57.680 56.048 0.010 0.000 1.350 471 H CB 0.074 29.792 29.762 -0.073 0.000 1.403 471 H HN 0.263 nan 8.280 nan 0.000 0.533 472 Y N -0.860 119.574 120.300 0.224 0.000 2.133 472 Y HA -0.227 4.322 4.550 -0.001 0.000 0.287 472 Y C 2.483 178.566 175.900 0.304 0.000 1.134 472 Y CA 1.024 59.300 58.100 0.295 0.000 1.133 472 Y CB -1.053 37.795 38.460 0.646 0.000 0.987 472 Y HN 0.342 nan 8.280 nan 0.000 0.502 473 W N -0.418 120.973 121.300 0.152 0.000 2.333 473 W HA -0.251 4.409 4.660 -0.000 0.000 0.316 473 W C 2.592 179.101 176.519 -0.016 0.000 1.215 473 W CA 1.160 58.525 57.345 0.033 0.000 1.278 473 W CB -0.525 28.895 29.460 -0.068 0.000 1.154 473 W HN 0.060 nan 8.180 nan 0.000 0.486 474 A N -0.060 122.859 122.820 0.164 0.000 1.898 474 A HA -0.154 4.165 4.320 -0.001 0.000 0.216 474 A C 1.809 179.365 177.584 -0.047 0.000 1.181 474 A CA 2.185 54.232 52.037 0.018 0.000 0.620 474 A CB -1.192 17.812 19.000 0.006 0.000 0.819 474 A HN 0.205 nan 8.150 nan 0.000 0.442 475 T N -0.771 113.709 114.554 -0.123 0.000 2.821 475 T HA -0.108 4.241 4.350 -0.001 0.000 0.267 475 T C 1.586 176.230 174.700 -0.094 0.000 1.046 475 T CA 1.508 63.506 62.100 -0.170 0.000 1.139 475 T CB -0.368 68.334 68.868 -0.276 0.000 0.871 475 T HN 0.505 nan 8.240 nan 0.000 0.454 476 F N 2.315 122.157 119.950 -0.180 0.000 2.146 476 F HA 0.060 4.587 4.527 -0.001 0.000 0.298 476 F C 2.417 178.126 175.800 -0.152 0.000 1.096 476 F CA 0.895 58.758 58.000 -0.228 0.000 1.275 476 F CB -0.673 38.128 39.000 -0.331 0.000 1.008 476 F HN 0.133 nan 8.300 nan 0.000 0.480 477 A N 0.328 123.058 122.820 -0.150 0.000 1.908 477 A HA -0.256 4.064 4.320 -0.001 0.000 0.218 477 A C 2.340 179.788 177.584 -0.227 0.000 1.181 477 A CA 2.026 53.941 52.037 -0.204 0.000 0.627 477 A CB -0.867 18.086 19.000 -0.079 0.000 0.818 477 A HN 0.508 nan 8.150 nan 0.000 0.445 478 K N -1.004 119.295 120.400 -0.169 0.000 2.062 478 K HA -0.106 4.214 4.320 -0.001 0.000 0.205 478 K C 1.843 178.350 176.600 -0.155 0.000 1.051 478 K CA 1.846 58.056 56.287 -0.128 0.000 0.941 478 K CB -0.083 32.369 32.500 -0.081 0.000 0.719 478 K HN 0.624 nan 8.250 nan 0.000 0.440 479 T N -4.920 109.514 114.554 -0.201 0.000 2.959 479 T HA 0.258 4.608 4.350 -0.001 0.000 0.254 479 T C 1.135 175.695 174.700 -0.233 0.000 1.003 479 T CA 0.449 62.445 62.100 -0.174 0.000 0.950 479 T CB 0.931 69.729 68.868 -0.116 0.000 1.090 479 T HN 0.318 nan 8.240 nan 0.000 0.503 480 G N 1.470 109.997 108.800 -0.455 0.000 2.141 480 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.231 480 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.231 480 G C -0.200 174.607 174.900 -0.156 0.000 0.984 480 G CA -0.002 44.785 45.100 -0.522 0.000 0.660 480 G HN 0.827 nan 8.290 nan 0.000 0.525 481 N N -0.250 118.357 118.700 -0.156 0.000 2.478 481 N HA 0.428 5.168 4.740 -0.001 0.000 0.291 481 N C -1.737 173.623 175.510 -0.251 0.000 1.090 481 N CA -1.404 51.525 53.050 -0.201 0.000 0.911 481 N CB 2.506 40.944 38.487 -0.083 0.000 1.546 481 N HN -0.064 nan 8.380 nan 0.000 0.500 482 P HA -0.033 nan 4.420 nan 0.000 0.226 482 P C -0.412 176.890 177.300 0.003 0.000 1.153 482 P CA 0.567 63.518 63.100 -0.248 0.000 0.777 482 P CB 0.350 31.685 31.700 -0.609 0.000 0.794 483 N N 1.619 120.285 118.700 -0.057 0.000 2.514 483 N HA 0.075 4.814 4.740 -0.001 0.000 0.277 483 N C 0.148 175.700 175.510 0.069 0.000 1.126 483 N CA 0.004 53.113 53.050 0.098 0.000 0.978 483 N CB 0.702 39.243 38.487 0.089 0.000 1.106 483 N HN 0.014 nan 8.380 nan 0.000 0.461 484 E N 3.003 123.282 120.200 0.131 0.000 2.299 484 E HA 0.126 4.476 4.350 -0.001 0.000 0.272 484 E C -2.189 174.448 176.600 0.061 0.000 1.043 484 E CA -1.513 54.956 56.400 0.116 0.000 0.895 484 E CB 0.441 30.254 29.700 0.190 0.000 1.011 484 E HN 0.308 nan 8.360 nan 0.000 0.432 485 P HA 0.001 nan 4.420 nan 0.000 0.271 485 P C -0.748 176.515 177.300 -0.061 0.000 1.220 485 P CA 0.265 63.289 63.100 -0.127 0.000 0.768 485 P CB 0.493 32.103 31.700 -0.150 0.000 0.848 486 H N -1.922 117.183 119.070 0.059 0.000 2.992 486 H HA -0.132 4.424 4.556 -0.001 0.000 0.266 486 H C 0.616 175.978 175.328 0.057 0.000 1.200 486 H CA 1.046 57.125 56.048 0.052 0.000 1.135 486 H CB -2.029 27.758 29.762 0.042 0.000 1.282 486 H HN 0.589 nan 8.280 nan 0.000 0.351 487 S N -0.154 115.628 115.700 0.137 0.000 2.669 487 S HA 0.285 4.755 4.470 -0.001 0.000 0.270 487 S C 1.349 176.012 174.600 0.106 0.000 1.225 487 S CA -0.360 57.912 58.200 0.120 0.000 0.991 487 S CB 1.768 65.043 63.200 0.124 0.000 0.987 487 S HN 0.246 nan 8.310 nan 0.000 0.552 488 Q N 0.361 120.214 119.800 0.090 0.000 2.378 488 Q HA 0.306 4.646 4.340 -0.001 0.000 0.216 488 Q C -0.014 176.034 176.000 0.079 0.000 0.892 488 Q CA 0.186 56.035 55.803 0.076 0.000 0.931 488 Q CB -0.251 28.523 28.738 0.059 0.000 1.086 488 Q HN 0.659 nan 8.270 nan 0.000 0.528 489 E N 1.478 121.734 120.200 0.092 0.000 2.425 489 E HA 0.054 4.403 4.350 -0.001 0.000 0.258 489 E C -0.357 176.317 176.600 0.123 0.000 1.151 489 E CA 0.182 56.645 56.400 0.104 0.000 0.958 489 E CB 0.515 30.290 29.700 0.125 0.000 0.968 489 E HN -0.049 nan 8.360 nan 0.000 0.451 490 S N 2.327 118.103 115.700 0.127 0.000 2.549 490 S HA 0.107 4.576 4.470 -0.001 0.000 0.283 490 S C -0.142 174.567 174.600 0.182 0.000 1.320 490 S CA -0.402 57.874 58.200 0.127 0.000 1.058 490 S CB 0.371 63.633 63.200 0.103 0.000 0.882 490 S HN 0.183 nan 8.310 nan 0.000 0.498 491 K N 2.105 122.604 120.400 0.165 0.000 2.201 491 K HA 0.140 4.460 4.320 -0.001 0.000 0.278 491 K C -0.432 176.328 176.600 0.266 0.000 1.027 491 K CA -0.444 55.969 56.287 0.211 0.000 0.909 491 K CB 0.648 33.249 32.500 0.168 0.000 1.062 491 K HN 0.709 nan 8.250 nan 0.000 0.465 492 W N 7.381 128.724 121.300 0.071 0.000 2.485 492 W HA 0.147 4.806 4.660 -0.001 0.000 0.315 492 W C -2.294 174.334 176.519 0.182 0.000 1.304 492 W CA -2.354 55.026 57.345 0.059 0.000 1.345 492 W CB -0.028 29.363 29.460 -0.114 0.000 1.368 492 W HN 0.394 nan 8.180 nan 0.000 0.497 493 P HA 0.062 nan 4.420 nan 0.000 0.276 493 P C -0.598 176.911 177.300 0.349 0.000 1.244 493 P CA -0.583 62.741 63.100 0.372 0.000 0.801 493 P CB 1.667 33.495 31.700 0.215 0.000 1.006 494 L N 2.692 123.981 121.223 0.109 0.000 2.453 494 L HA 0.193 4.532 4.340 -0.001 0.000 0.272 494 L C -0.082 176.761 176.870 -0.045 0.000 1.182 494 L CA -0.171 54.528 54.840 -0.236 0.000 0.858 494 L CB -0.765 41.182 42.059 -0.186 0.000 1.120 494 L HN 0.230 nan 8.230 nan 0.000 0.474 495 F N 4.540 124.376 119.950 -0.192 0.000 2.424 495 F HA 0.498 5.024 4.527 -0.001 0.000 0.356 495 F C 0.271 176.039 175.800 -0.053 0.000 1.110 495 F CA -0.175 57.808 58.000 -0.028 0.000 1.161 495 F CB 0.583 39.593 39.000 0.016 0.000 1.115 495 F HN 0.656 nan 8.300 nan 0.000 0.507 496 T N 1.181 115.433 114.554 -0.503 0.000 2.924 496 T HA 0.267 4.616 4.350 -0.001 0.000 0.291 496 T C 0.895 175.323 174.700 -0.453 0.000 1.045 496 T CA -0.457 61.460 62.100 -0.304 0.000 1.015 496 T CB 1.507 70.266 68.868 -0.181 0.000 1.103 496 T HN 0.523 nan 8.240 nan 0.000 0.496 497 T N 0.567 115.011 114.554 -0.183 0.000 2.759 497 T HA -0.102 4.248 4.350 -0.001 0.000 0.269 497 T C 1.724 176.337 174.700 -0.145 0.000 1.042 497 T CA 1.617 63.648 62.100 -0.115 0.000 1.140 497 T CB -0.246 68.591 68.868 -0.052 0.000 0.864 497 T HN 0.706 nan 8.240 nan 0.000 0.455 498 K N 0.420 120.732 120.400 -0.146 0.000 2.021 498 K HA -0.032 4.288 4.320 -0.001 0.000 0.205 498 K C 2.126 178.650 176.600 -0.127 0.000 1.047 498 K CA 0.960 57.181 56.287 -0.110 0.000 0.943 498 K CB 0.178 32.628 32.500 -0.083 0.000 0.725 498 K HN 0.209 nan 8.250 nan 0.000 0.439 499 E N 0.441 120.536 120.200 -0.174 0.000 2.276 499 E HA -0.056 4.293 4.350 -0.001 0.000 0.193 499 E C -0.102 176.376 176.600 -0.203 0.000 0.983 499 E CA 0.190 56.501 56.400 -0.148 0.000 0.861 499 E CB 0.344 29.975 29.700 -0.115 0.000 0.817 499 E HN 0.309 nan 8.360 nan 0.000 0.485 500 Q N 1.108 120.621 119.800 -0.478 0.000 2.434 500 Q HA -0.204 4.136 4.340 -0.001 0.000 0.299 500 Q C -0.625 175.307 176.000 -0.113 0.000 1.286 500 Q CA 0.715 56.089 55.803 -0.716 0.000 0.872 500 Q CB -1.609 26.987 28.738 -0.236 0.000 1.193 500 Q HN 0.200 nan 8.270 nan 0.000 0.466 501 K N 0.631 120.993 120.400 -0.064 0.000 2.237 501 K HA 0.551 4.870 4.320 -0.001 0.000 0.270 501 K C 0.007 176.904 176.600 0.496 0.000 1.015 501 K CA 0.075 56.465 56.287 0.172 0.000 0.949 501 K CB 0.464 33.007 32.500 0.072 0.000 0.976 501 K HN 0.216 nan 8.250 nan 0.000 0.472 502 F N -0.172 119.950 119.950 0.287 0.000 2.686 502 F HA 0.603 5.130 4.527 -0.001 0.000 0.311 502 F C -1.045 174.872 175.800 0.193 0.000 1.128 502 F CA -1.561 56.641 58.000 0.337 0.000 0.946 502 F CB 0.762 39.970 39.000 0.347 0.000 1.336 502 F HN 0.418 nan 8.300 nan 0.000 0.457 503 I N -0.589 120.091 120.570 0.184 0.000 2.797 503 I HA 0.641 4.810 4.170 -0.001 0.000 0.307 503 I C -1.087 175.160 176.117 0.217 0.000 1.033 503 I CA -0.841 60.408 61.300 -0.084 0.000 1.071 503 I CB 1.987 39.731 38.000 -0.427 0.000 1.255 503 I HN 0.455 nan 8.210 nan 0.000 0.445 504 D N 3.473 123.992 120.400 0.199 0.000 2.312 504 D HA 0.472 5.112 4.640 -0.001 0.000 0.248 504 D C -0.891 175.494 176.300 0.142 0.000 1.086 504 D CA 0.038 54.251 54.000 0.355 0.000 0.948 504 D CB 2.167 43.181 40.800 0.357 0.000 1.162 504 D HN 0.266 nan 8.370 nan 0.000 0.446 505 L N 2.680 123.985 121.223 0.138 0.000 2.377 505 L HA 0.298 4.638 4.340 -0.001 0.000 0.270 505 L C -0.794 175.993 176.870 -0.139 0.000 0.991 505 L CA -0.361 54.505 54.840 0.044 0.000 0.851 505 L CB 0.256 42.419 42.059 0.174 0.000 1.218 505 L HN 0.527 nan 8.230 nan 0.000 0.420 506 N N -0.373 118.248 118.700 -0.133 0.000 3.378 506 N HA 0.260 4.999 4.740 -0.001 0.000 0.294 506 N C 0.261 175.664 175.510 -0.178 0.000 1.544 506 N CA -0.100 52.816 53.050 -0.223 0.000 0.872 506 N CB 0.368 38.785 38.487 -0.116 0.000 1.670 506 N HN 0.084 nan 8.380 nan 0.000 0.551 507 T N -3.699 110.737 114.554 -0.197 0.000 3.148 507 T HA 0.208 4.558 4.350 -0.001 0.000 0.253 507 T C -0.069 174.603 174.700 -0.046 0.000 1.134 507 T CA 0.530 62.545 62.100 -0.141 0.000 1.051 507 T CB -0.432 68.344 68.868 -0.154 0.000 0.959 507 T HN 0.483 nan 8.240 nan 0.000 0.525 508 E N 2.449 122.637 120.200 -0.019 0.000 2.280 508 E HA 0.416 4.765 4.350 -0.001 0.000 0.264 508 E C -2.405 174.199 176.600 0.007 0.000 1.064 508 E CA -2.369 54.035 56.400 0.006 0.000 0.900 508 E CB 0.443 30.158 29.700 0.026 0.000 1.123 508 E HN 0.191 nan 8.360 nan 0.000 0.418 509 P HA -0.104 nan 4.420 nan 0.000 0.265 509 P C -0.291 177.014 177.300 0.009 0.000 1.193 509 P CA 0.197 63.305 63.100 0.014 0.000 0.765 509 P CB 0.420 32.128 31.700 0.013 0.000 0.823 510 M N 2.627 122.236 119.600 0.015 0.000 2.219 510 M HA -0.092 4.388 4.480 -0.001 0.000 0.340 510 M C 0.120 176.389 176.300 -0.051 0.000 1.135 510 M CA 1.213 56.510 55.300 -0.006 0.000 0.976 510 M CB 0.026 32.638 32.600 0.019 0.000 1.713 510 M HN 0.324 nan 8.290 nan 0.000 0.457 511 K N 3.622 123.955 120.400 -0.112 0.000 2.501 511 K HA 0.568 4.887 4.320 -0.001 0.000 0.252 511 K C -1.956 174.370 176.600 -0.456 0.000 0.934 511 K CA -0.826 55.316 56.287 -0.241 0.000 0.797 511 K CB 2.004 34.387 32.500 -0.194 0.000 1.270 511 K HN 0.567 nan 8.250 nan 0.000 0.431 512 V N 4.599 124.207 119.914 -0.510 0.000 2.532 512 V HA 0.481 4.601 4.120 -0.001 0.000 0.295 512 V C -0.202 175.411 176.094 -0.802 0.000 1.041 512 V CA -0.545 61.439 62.300 -0.526 0.000 0.926 512 V CB 1.401 33.083 31.823 -0.235 0.000 0.992 512 V HN 0.790 nan 8.190 nan 0.000 0.457 513 H N 2.749 121.466 119.070 -0.589 0.000 2.960 513 H HA 0.662 5.218 4.556 -0.001 0.000 0.303 513 H C -1.184 173.868 175.328 -0.460 0.000 1.412 513 H CA -0.863 54.823 56.048 -0.602 0.000 1.227 513 H CB 2.172 31.398 29.762 -0.894 0.000 1.912 513 H HN 0.560 nan 8.280 nan 0.000 0.583 514 Q N 0.227 120.050 119.800 0.038 0.000 2.379 514 Q HA 0.372 4.711 4.340 -0.001 0.000 0.278 514 Q C -0.767 175.459 176.000 0.377 0.000 1.068 514 Q CA -0.916 55.018 55.803 0.218 0.000 0.816 514 Q CB 3.012 31.804 28.738 0.090 0.000 1.387 514 Q HN 0.457 nan 8.270 nan 0.000 0.413 515 R N 0.934 121.658 120.500 0.375 0.000 3.079 515 R HA -0.203 4.137 4.340 -0.001 0.000 0.254 515 R C -0.638 175.808 176.300 0.243 0.000 0.900 515 R CA -0.140 56.123 56.100 0.272 0.000 0.641 515 R CB -1.496 28.904 30.300 0.166 0.000 1.307 515 R HN 0.481 nan 8.270 nan 0.000 0.477 516 L N 2.365 123.675 121.223 0.145 0.000 2.660 516 L HA -0.023 4.317 4.340 -0.001 0.000 0.272 516 L C 0.900 177.722 176.870 -0.079 0.000 1.194 516 L CA 0.732 55.432 54.840 -0.234 0.000 0.945 516 L CB -0.139 41.411 42.059 -0.848 0.000 1.212 516 L HN 0.461 nan 8.230 nan 0.000 0.490 517 R N 2.178 122.646 120.500 -0.054 0.000 3.387 517 R HA -0.202 4.138 4.340 -0.001 0.000 0.254 517 R C 1.234 177.587 176.300 0.089 0.000 1.006 517 R CA 0.618 56.732 56.100 0.024 0.000 0.677 517 R CB -2.042 28.284 30.300 0.043 0.000 1.063 517 R HN 0.767 nan 8.270 nan 0.000 0.453 518 V N -2.778 117.190 119.914 0.091 0.000 2.332 518 V HA -0.331 3.789 4.120 -0.001 0.000 0.248 518 V C 2.409 178.572 176.094 0.115 0.000 1.055 518 V CA 1.688 64.055 62.300 0.113 0.000 1.038 518 V CB -0.360 31.524 31.823 0.102 0.000 0.651 518 V HN 0.275 nan 8.190 nan 0.000 0.450 519 Q N -0.213 119.636 119.800 0.083 0.000 2.014 519 Q HA -0.178 4.161 4.340 -0.001 0.000 0.207 519 Q C 2.336 178.396 176.000 0.101 0.000 0.993 519 Q CA 2.102 57.940 55.803 0.059 0.000 0.850 519 Q CB -0.513 28.229 28.738 0.007 0.000 0.916 519 Q HN 0.563 nan 8.270 nan 0.000 0.417 520 M N -0.635 119.045 119.600 0.134 0.000 2.175 520 M HA -0.123 4.356 4.480 -0.001 0.000 0.264 520 M C 2.426 179.008 176.300 0.472 0.000 1.063 520 M CA 0.877 56.335 55.300 0.264 0.000 1.119 520 M CB -1.335 31.478 32.600 0.354 0.000 1.377 520 M HN 0.238 nan 8.290 nan 0.000 0.415 521 c N -0.477 118.344 118.600 0.368 0.000 2.446 521 c HA -0.019 4.550 4.570 -0.001 0.000 0.279 521 c C 2.928 177.202 174.090 0.306 0.000 1.366 521 c CA 0.204 56.759 56.329 0.377 0.000 1.763 521 c CB -0.867 41.798 42.510 0.258 0.000 1.929 521 c HN 0.321 nan 8.230 nan 0.000 0.509 522 V N 0.529 120.586 119.914 0.239 0.000 2.427 522 V HA -0.208 3.912 4.120 -0.001 0.000 0.248 522 V C 2.033 178.249 176.094 0.204 0.000 1.051 522 V CA 2.078 64.490 62.300 0.188 0.000 1.048 522 V CB -0.766 31.141 31.823 0.140 0.000 0.666 522 V HN 0.570 nan 8.190 nan 0.000 0.456 523 F N -0.024 119.970 119.950 0.074 0.000 2.075 523 F HA -0.182 4.345 4.527 -0.001 0.000 0.297 523 F C 1.990 177.783 175.800 -0.011 0.000 1.113 523 F CA 1.728 59.724 58.000 -0.007 0.000 1.218 523 F CB -0.409 38.470 39.000 -0.202 0.000 0.984 523 F HN 0.162 nan 8.300 nan 0.000 0.472 524 W N 0.578 121.989 121.300 0.185 0.000 2.418 524 W HA -0.100 4.559 4.660 -0.001 0.000 0.292 524 W C 2.042 178.544 176.519 -0.029 0.000 1.213 524 W CA 0.873 58.254 57.345 0.059 0.000 1.283 524 W CB -0.460 29.148 29.460 0.247 0.000 1.119 524 W HN -0.024 nan 8.180 nan 0.000 0.542 525 N N -0.757 118.068 118.700 0.209 0.000 2.392 525 N HA -0.011 4.729 4.740 -0.001 0.000 0.177 525 N C 1.304 176.810 175.510 -0.007 0.000 1.066 525 N CA 0.892 53.972 53.050 0.051 0.000 0.895 525 N CB 0.038 38.566 38.487 0.068 0.000 0.988 525 N HN 0.390 nan 8.380 nan 0.000 0.457 526 Q N -1.319 118.497 119.800 0.027 0.000 2.620 526 Q HA 0.203 4.543 4.340 -0.001 0.000 0.232 526 Q C 1.159 177.156 176.000 -0.005 0.000 0.836 526 Q CA -0.195 55.622 55.803 0.024 0.000 0.938 526 Q CB 0.077 28.864 28.738 0.083 0.000 1.242 526 Q HN 0.112 nan 8.270 nan 0.000 0.624 527 F N 2.056 121.913 119.950 -0.155 0.000 2.060 527 F HA -0.151 4.376 4.527 -0.001 0.000 0.295 527 F C 1.975 177.584 175.800 -0.317 0.000 1.120 527 F CA 1.009 58.886 58.000 -0.206 0.000 1.205 527 F CB -0.240 38.653 39.000 -0.178 0.000 0.986 527 F HN 0.044 nan 8.300 nan 0.000 0.470 528 L N 1.891 122.706 121.223 -0.681 0.000 2.012 528 L HA -0.104 4.236 4.340 -0.001 0.000 0.210 528 L C -0.778 175.819 176.870 -0.456 0.000 1.073 528 L CA 2.177 56.566 54.840 -0.752 0.000 0.748 528 L CB -1.967 39.580 42.059 -0.854 0.000 0.891 528 L HN 0.054 nan 8.230 nan 0.000 0.431 529 P HA -0.206 nan 4.420 nan 0.000 0.220 529 P C 1.416 178.592 177.300 -0.208 0.000 1.148 529 P CA 1.502 64.499 63.100 -0.173 0.000 0.803 529 P CB -0.043 31.595 31.700 -0.102 0.000 0.782 530 K N 0.125 120.362 120.400 -0.272 0.000 2.057 530 K HA -0.092 4.227 4.320 -0.001 0.000 0.206 530 K C 2.256 178.669 176.600 -0.313 0.000 1.050 530 K CA 0.743 56.883 56.287 -0.245 0.000 0.935 530 K CB -0.661 31.708 32.500 -0.218 0.000 0.715 530 K HN 0.033 nan 8.250 nan 0.000 0.439 531 L N 0.996 121.902 121.223 -0.528 0.000 2.017 531 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 531 L C 2.028 178.738 176.870 -0.266 0.000 1.073 531 L CA 1.282 55.840 54.840 -0.470 0.000 0.745 531 L CB -0.171 41.470 42.059 -0.697 0.000 0.894 531 L HN 0.242 nan 8.230 nan 0.000 0.432 532 L N 0.105 121.183 121.223 -0.242 0.000 2.141 532 L HA -0.208 4.131 4.340 -0.001 0.000 0.209 532 L C 2.394 179.204 176.870 -0.101 0.000 1.094 532 L CA 1.245 55.996 54.840 -0.147 0.000 0.763 532 L CB -0.791 41.200 42.059 -0.113 0.000 0.908 532 L HN 0.487 nan 8.230 nan 0.000 0.437 533 N N 0.410 119.045 118.700 -0.108 0.000 2.354 533 N HA -0.086 4.654 4.740 -0.001 0.000 0.179 533 N C 1.659 177.128 175.510 -0.068 0.000 1.021 533 N CA 1.155 54.161 53.050 -0.075 0.000 0.887 533 N CB 0.392 38.835 38.487 -0.072 0.000 0.974 533 N HN 0.295 nan 8.380 nan 0.000 0.437 534 A N 0.060 122.827 122.820 -0.088 0.000 1.943 534 A HA 0.071 4.391 4.320 -0.001 0.000 0.213 534 A C 1.419 178.969 177.584 -0.056 0.000 1.181 534 A CA 1.130 53.126 52.037 -0.068 0.000 0.653 534 A CB -0.582 18.372 19.000 -0.078 0.000 0.833 534 A HN 0.489 nan 8.150 nan 0.000 0.451 535 T N 0.000 114.513 114.554 -0.069 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.069 62.100 -0.052 0.000 1.349 535 T CB 0.000 68.833 68.868 -0.058 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658