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 2r5h_1_K DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVA RTNIYYHAGT SRLLAVGHPY FPIKKPNNNK ILVPKVSGLQ DATA SEQUENCE YRVFRIHLPD PNKFGFPDTS FYNPDTQRLV WACVGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENASAYAANA GVDNRECISM DYKQTQLCLI GCKPPIGEHW DATA SEQUENCE GKGSPCTQVA VQPGDCPPLE LINTVIQDGD MVDTGFGAMD FTTLQANKSE DATA SEQUENCE VPLDICTSIC KYPDYIKMVS EPYGDSLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE NVPDDLYIKG SGSTANLASS NYFPTPSGSM VTSDAQIFNK PYWLQRAQGH DATA SEQUENCE NNGICWGNQL FVTVVDTTRS TNMSLCAAIS TSETTYKNTN FKEYLRHGEE DATA SEQUENCE YDLQFIFQLC KITLTADVMT YIHSMNSTIL EDWNXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXED PLKKYTFWEV NLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.630 177.584 0.077 0.000 1.274 20 A CA 0.000 52.046 52.037 0.016 0.000 0.836 20 A CB 0.000 19.011 19.000 0.019 0.000 0.831 21 V N 1.464 121.353 119.914 -0.042 0.000 2.713 21 V HA 0.813 4.933 4.120 -0.000 0.000 0.307 21 V C 0.168 176.245 176.094 -0.028 0.000 1.052 21 V CA -0.153 62.140 62.300 -0.013 0.000 0.967 21 V CB 1.570 33.115 31.823 -0.463 0.000 1.019 21 V HN 1.709 nan 8.190 nan 0.000 0.459 22 V N 0.282 120.290 119.914 0.157 0.000 2.971 22 V HA 0.680 4.800 4.120 -0.000 0.000 0.309 22 V C 0.002 176.407 176.094 0.519 0.000 1.130 22 V CA -0.764 61.707 62.300 0.286 0.000 0.964 22 V CB 1.635 33.517 31.823 0.098 0.000 1.029 22 V HN 0.959 nan 8.190 nan 0.000 0.427 23 S N 2.364 118.369 115.700 0.508 0.000 2.953 23 S HA -0.075 4.395 4.470 -0.000 0.000 0.348 23 S C 1.636 176.374 174.600 0.229 0.000 1.215 23 S CA 0.797 59.186 58.200 0.315 0.000 1.019 23 S CB 0.246 63.521 63.200 0.125 0.000 0.726 23 S HN 2.140 nan 8.310 nan 0.000 0.503 24 T N 1.636 116.280 114.554 0.150 0.000 2.929 24 T HA -0.116 4.234 4.350 -0.000 0.000 0.271 24 T C 1.145 175.639 174.700 -0.344 0.000 1.085 24 T CA 1.367 63.266 62.100 -0.335 0.000 1.125 24 T CB -0.416 68.290 68.868 -0.271 0.000 0.874 24 T HN 0.677 nan 8.240 nan 0.000 0.494 25 D N 1.537 121.869 120.400 -0.112 0.000 2.271 25 D HA -0.095 4.545 4.640 -0.000 0.000 0.207 25 D C 2.052 178.316 176.300 -0.060 0.000 0.983 25 D CA 0.960 54.912 54.000 -0.080 0.000 0.878 25 D CB -0.101 40.680 40.800 -0.032 0.000 0.920 25 D HN 0.679 nan 8.370 nan 0.000 0.479 26 E N -0.233 119.954 120.200 -0.022 0.000 1.998 26 E HA -0.171 4.178 4.350 -0.000 0.000 0.195 26 E C 2.138 178.794 176.600 0.093 0.000 0.994 26 E CA 0.999 57.437 56.400 0.064 0.000 0.835 26 E CB -0.447 29.348 29.700 0.157 0.000 0.786 26 E HN 0.527 nan 8.360 nan 0.000 0.467 27 Y N 0.083 120.422 120.300 0.066 0.000 2.583 27 Y HA 0.232 4.781 4.550 -0.000 0.000 0.293 27 Y C 0.556 176.555 175.900 0.166 0.000 1.157 27 Y CA -0.326 57.836 58.100 0.104 0.000 1.315 27 Y CB -0.100 38.422 38.460 0.103 0.000 1.021 27 Y HN -0.274 nan 8.280 nan 0.000 0.536 28 V N 1.649 121.437 119.914 -0.210 0.000 2.617 28 V HA 0.728 4.848 4.120 -0.000 0.000 0.298 28 V C 0.133 176.203 176.094 -0.040 0.000 1.048 28 V CA -0.856 61.393 62.300 -0.085 0.000 0.964 28 V CB 1.162 32.876 31.823 -0.182 0.000 1.004 28 V HN 0.362 nan 8.190 nan 0.000 0.466 29 A N 4.631 127.448 122.820 -0.006 0.000 2.318 29 A HA 0.766 5.085 4.320 -0.000 0.000 0.324 29 A C -0.192 177.365 177.584 -0.046 0.000 1.170 29 A CA -0.786 51.244 52.037 -0.011 0.000 0.810 29 A CB 0.787 19.798 19.000 0.018 0.000 1.198 29 A HN 0.839 nan 8.150 nan 0.000 0.484 30 R N 1.728 122.197 120.500 -0.053 0.000 2.265 30 R HA 0.441 4.781 4.340 -0.000 0.000 0.328 30 R C 0.516 176.754 176.300 -0.104 0.000 0.969 30 R CA -0.257 55.796 56.100 -0.079 0.000 0.832 30 R CB 1.524 31.788 30.300 -0.060 0.000 1.139 30 R HN 0.870 nan 8.270 nan 0.000 0.457 31 T N -0.936 113.520 114.554 -0.164 0.000 2.732 31 T HA 0.060 4.410 4.350 -0.000 0.000 0.287 31 T C 0.595 175.129 174.700 -0.278 0.000 0.993 31 T CA -0.524 61.450 62.100 -0.211 0.000 0.966 31 T CB 0.691 69.364 68.868 -0.324 0.000 1.047 31 T HN 0.560 nan 8.240 nan 0.000 0.527 32 N N 0.750 119.289 118.700 -0.268 0.000 2.671 32 N HA 0.218 4.958 4.740 -0.000 0.000 0.303 32 N C -0.926 174.347 175.510 -0.395 0.000 1.351 32 N CA -0.327 52.536 53.050 -0.311 0.000 0.991 32 N CB 0.030 38.441 38.487 -0.128 0.000 1.307 32 N HN 0.438 nan 8.380 nan 0.000 0.512 33 I N 1.961 122.231 120.570 -0.500 0.000 2.330 33 I HA 0.254 4.424 4.170 -0.000 0.000 0.289 33 I C -0.491 175.461 176.117 -0.275 0.000 1.001 33 I CA -0.593 60.508 61.300 -0.332 0.000 1.193 33 I CB 0.247 38.064 38.000 -0.304 0.000 1.345 33 I HN 0.081 nan 8.210 nan 0.000 0.461 34 Y N 6.113 126.494 120.300 0.135 0.000 2.377 34 Y HA 0.493 5.043 4.550 -0.000 0.000 0.339 34 Y C -0.664 175.294 175.900 0.098 0.000 1.011 34 Y CA -0.776 57.446 58.100 0.203 0.000 1.093 34 Y CB 1.974 40.556 38.460 0.203 0.000 1.201 34 Y HN 0.355 nan 8.280 nan 0.000 0.455 35 Y N 1.763 122.312 120.300 0.416 0.000 2.462 35 Y HA 0.284 4.834 4.550 -0.000 0.000 0.346 35 Y C -0.261 175.636 175.900 -0.005 0.000 0.976 35 Y CA -1.042 57.179 58.100 0.202 0.000 1.044 35 Y CB 1.480 40.010 38.460 0.117 0.000 1.230 35 Y HN 0.565 nan 8.280 nan 0.000 0.455 36 H N 2.223 121.292 119.070 -0.002 0.000 2.499 36 H HA 0.895 5.450 4.556 -0.000 0.000 0.340 36 H C -1.593 173.507 175.328 -0.379 0.000 1.148 36 H CA -0.493 55.435 56.048 -0.200 0.000 1.215 36 H CB 1.667 31.289 29.762 -0.233 0.000 1.529 36 H HN 0.850 nan 8.280 nan 0.000 0.510 37 A N 2.111 124.253 122.820 -1.130 0.000 2.589 37 A HA 0.637 4.957 4.320 -0.000 0.000 0.296 37 A C -0.982 176.329 177.584 -0.454 0.000 1.062 37 A CA -0.066 51.624 52.037 -0.578 0.000 0.686 37 A CB 1.637 20.274 19.000 -0.605 0.000 1.282 37 A HN 1.031 nan 8.150 nan 0.000 0.404 38 G N 0.737 109.457 108.800 -0.134 0.000 2.174 38 G HA2 0.592 4.552 3.960 -0.000 0.000 0.312 38 G HA3 0.592 4.552 3.960 -0.000 0.000 0.312 38 G C -0.371 174.568 174.900 0.065 0.000 1.663 38 G CA 0.248 45.358 45.100 0.017 0.000 0.920 38 G HN 1.877 nan 8.290 nan 0.000 0.664 39 T N 0.008 114.610 114.554 0.079 0.000 2.933 39 T HA 0.299 4.648 4.350 -0.000 0.000 0.306 39 T C 1.948 176.701 174.700 0.089 0.000 1.045 39 T CA 0.852 63.006 62.100 0.090 0.000 1.143 39 T CB 1.263 70.184 68.868 0.088 0.000 1.003 39 T HN 1.701 nan 8.240 nan 0.000 0.540 40 S N 2.668 118.431 115.700 0.105 0.000 2.382 40 S HA -0.085 4.384 4.470 -0.000 0.000 0.228 40 S C 0.945 175.600 174.600 0.091 0.000 1.027 40 S CA 0.513 58.776 58.200 0.104 0.000 0.991 40 S CB -0.359 62.906 63.200 0.108 0.000 0.823 40 S HN 1.062 nan 8.310 nan 0.000 0.469 41 R N -0.009 120.554 120.500 0.105 0.000 4.264 41 R HA 0.235 4.575 4.340 -0.000 0.000 0.269 41 R C -1.947 174.447 176.300 0.156 0.000 1.051 41 R CA -0.349 55.815 56.100 0.106 0.000 1.332 41 R CB 0.052 30.404 30.300 0.088 0.000 1.251 41 R HN 0.351 nan 8.270 nan 0.000 0.538 42 L N 3.574 124.912 121.223 0.192 0.000 2.421 42 L HA 0.606 4.946 4.340 -0.000 0.000 0.263 42 L C -0.298 176.777 176.870 0.342 0.000 1.122 42 L CA -0.963 54.069 54.840 0.320 0.000 0.804 42 L CB 0.911 43.130 42.059 0.266 0.000 1.150 42 L HN 0.497 nan 8.230 nan 0.000 0.457 43 L N 1.293 122.772 121.223 0.426 0.000 2.472 43 L HA 0.789 5.129 4.340 -0.000 0.000 0.260 43 L C -1.110 175.938 176.870 0.296 0.000 0.963 43 L CA -0.101 54.926 54.840 0.312 0.000 0.829 43 L CB 1.989 44.158 42.059 0.184 0.000 1.348 43 L HN 0.681 nan 8.230 nan 0.000 0.408 44 A N 3.481 126.434 122.820 0.222 0.000 2.414 44 A HA 0.925 5.245 4.320 -0.000 0.000 0.306 44 A C -1.779 175.821 177.584 0.027 0.000 1.054 44 A CA -0.561 51.542 52.037 0.110 0.000 0.724 44 A CB 2.007 21.099 19.000 0.154 0.000 1.267 44 A HN 0.523 nan 8.150 nan 0.000 0.418 45 V N 1.503 121.419 119.914 0.002 0.000 2.655 45 V HA 0.768 4.888 4.120 -0.000 0.000 0.301 45 V C 0.429 176.531 176.094 0.014 0.000 1.082 45 V CA 0.398 62.700 62.300 0.004 0.000 0.899 45 V CB 1.648 33.480 31.823 0.016 0.000 1.014 45 V HN 1.598 nan 8.190 nan 0.000 0.429 46 G N 2.281 111.102 108.800 0.036 0.000 2.846 46 G HA2 0.510 4.470 3.960 -0.000 0.000 0.299 46 G HA3 0.510 4.470 3.960 -0.000 0.000 0.299 46 G C -1.685 173.285 174.900 0.116 0.000 1.242 46 G CA -0.423 44.719 45.100 0.071 0.000 0.800 46 G HN 0.651 nan 8.290 nan 0.000 0.538 47 H N 1.186 120.266 119.070 0.015 0.000 2.466 47 H HA 0.424 4.980 4.556 -0.000 0.000 0.338 47 H C -1.752 173.538 175.328 -0.063 0.000 1.091 47 H CA -2.100 53.937 56.048 -0.019 0.000 1.207 47 H CB 2.804 32.524 29.762 -0.071 0.000 1.466 47 H HN 0.126 nan 8.280 nan 0.000 0.493 48 P HA -0.102 nan 4.420 nan 0.000 0.231 48 P C -0.150 176.947 177.300 -0.338 0.000 1.158 48 P CA 1.185 64.132 63.100 -0.255 0.000 0.763 48 P CB 0.168 31.559 31.700 -0.515 0.000 0.805 49 Y N -1.228 119.121 120.300 0.081 0.000 2.723 49 Y HA 0.276 4.826 4.550 -0.000 0.000 0.272 49 Y C 1.169 177.105 175.900 0.060 0.000 1.142 49 Y CA -0.534 57.597 58.100 0.051 0.000 1.217 49 Y CB -0.022 38.481 38.460 0.072 0.000 1.391 49 Y HN -0.186 nan 8.280 nan 0.000 0.479 50 F N -1.160 118.980 119.950 0.317 0.000 2.685 50 F HA 0.834 5.361 4.527 -0.000 0.000 0.315 50 F C -3.349 172.449 175.800 -0.003 0.000 1.126 50 F CA -3.495 54.558 58.000 0.088 0.000 0.950 50 F CB 0.744 39.746 39.000 0.003 0.000 1.360 50 F HN -0.358 nan 8.300 nan 0.000 0.469 51 P HA 0.306 nan 4.420 nan 0.000 0.287 51 P C -0.596 176.794 177.300 0.149 0.000 1.294 51 P CA 0.085 63.273 63.100 0.147 0.000 0.776 51 P CB 1.257 33.017 31.700 0.100 0.000 0.889 52 I N 4.735 125.370 120.570 0.107 0.000 2.357 52 I HA 0.055 4.225 4.170 -0.000 0.000 0.300 52 I C 1.435 177.590 176.117 0.063 0.000 1.159 52 I CA 0.465 61.824 61.300 0.098 0.000 1.339 52 I CB -0.626 37.440 38.000 0.110 0.000 1.458 52 I HN 0.328 nan 8.210 nan 0.000 0.577 53 K N 4.342 124.769 120.400 0.045 0.000 2.502 53 K HA 0.637 4.957 4.320 -0.000 0.000 0.252 53 K C -0.141 176.469 176.600 0.017 0.000 1.043 53 K CA -1.245 55.056 56.287 0.024 0.000 0.999 53 K CB 0.717 33.225 32.500 0.013 0.000 1.343 53 K HN 0.008 nan 8.250 nan 0.000 0.513 54 K N 1.094 121.499 120.400 0.008 0.000 2.237 54 K HA 0.127 4.447 4.320 -0.000 0.000 0.270 54 K C -1.780 174.819 176.600 -0.002 0.000 1.015 54 K CA -1.744 54.546 56.287 0.005 0.000 0.949 54 K CB 0.684 33.185 32.500 0.002 0.000 0.976 54 K HN 0.340 nan 8.250 nan 0.000 0.472 55 P HA -0.154 nan 4.420 nan 0.000 0.216 55 P C -0.348 176.944 177.300 -0.014 0.000 1.150 55 P CA 1.681 64.775 63.100 -0.011 0.000 0.837 55 P CB 0.123 31.818 31.700 -0.008 0.000 0.786 56 N N -0.692 118.002 118.700 -0.010 0.000 2.571 56 N HA -0.046 4.694 4.740 -0.000 0.000 0.195 56 N C 0.798 176.302 175.510 -0.010 0.000 1.040 56 N CA -0.180 52.863 53.050 -0.011 0.000 0.890 56 N CB -1.319 37.163 38.487 -0.009 0.000 1.233 56 N HN 0.050 nan 8.380 nan 0.000 0.435 57 N N 0.805 119.500 118.700 -0.008 0.000 2.399 57 N HA 0.011 4.751 4.740 -0.000 0.000 0.250 57 N C -0.217 175.288 175.510 -0.008 0.000 1.272 57 N CA -0.260 52.786 53.050 -0.007 0.000 0.928 57 N CB 0.350 38.834 38.487 -0.005 0.000 1.158 57 N HN 0.363 nan 8.380 nan 0.000 0.463 58 N N 0.787 119.482 118.700 -0.008 0.000 2.389 58 N HA 0.050 4.790 4.740 -0.000 0.000 0.260 58 N C -0.862 174.644 175.510 -0.007 0.000 1.191 58 N CA -0.277 52.768 53.050 -0.008 0.000 0.885 58 N CB 0.235 38.716 38.487 -0.011 0.000 1.162 58 N HN 0.459 nan 8.380 nan 0.000 0.512 59 K N 1.916 122.312 120.400 -0.005 0.000 2.201 59 K HA 0.262 4.582 4.320 -0.000 0.000 0.278 59 K C 0.142 176.742 176.600 -0.000 0.000 1.027 59 K CA -0.643 55.641 56.287 -0.006 0.000 0.909 59 K CB 1.116 33.611 32.500 -0.007 0.000 1.062 59 K HN 0.267 nan 8.250 nan 0.000 0.465 60 I N 4.007 124.576 120.570 -0.001 0.000 2.406 60 I HA 0.041 4.211 4.170 -0.000 0.000 0.293 60 I C 1.021 177.141 176.117 0.005 0.000 1.101 60 I CA -0.401 60.903 61.300 0.007 0.000 1.334 60 I CB 0.345 38.348 38.000 0.004 0.000 1.421 60 I HN 0.575 nan 8.210 nan 0.000 0.513 61 L N 7.567 128.799 121.223 0.015 0.000 2.313 61 L HA 0.295 4.635 4.340 -0.000 0.000 0.214 61 L C 0.240 177.120 176.870 0.018 0.000 1.119 61 L CA 1.223 56.071 54.840 0.013 0.000 0.809 61 L CB 0.239 42.308 42.059 0.017 0.000 0.933 61 L HN 0.523 nan 8.230 nan 0.000 0.449 62 V N 0.936 120.868 119.914 0.031 0.000 2.817 62 V HA 0.478 4.597 4.120 -0.000 0.000 0.303 62 V C -2.562 173.559 176.094 0.045 0.000 1.151 62 V CA -0.957 61.366 62.300 0.038 0.000 0.929 62 V CB 2.082 33.942 31.823 0.062 0.000 1.030 62 V HN 0.021 nan 8.190 nan 0.000 0.427 63 P HA 0.377 nan 4.420 nan 0.000 0.285 63 P C -1.272 176.060 177.300 0.054 0.000 1.285 63 P CA -0.977 62.140 63.100 0.029 0.000 0.854 63 P CB 1.429 33.122 31.700 -0.011 0.000 1.180 64 K N 0.902 121.335 120.400 0.056 0.000 2.378 64 K HA 0.277 4.597 4.320 -0.000 0.000 0.288 64 K C -1.111 175.523 176.600 0.057 0.000 1.057 64 K CA -0.161 56.171 56.287 0.076 0.000 0.971 64 K CB -0.149 32.398 32.500 0.077 0.000 0.975 64 K HN 0.198 nan 8.250 nan 0.000 0.475 65 V N 4.146 124.104 119.914 0.073 0.000 2.340 65 V HA 0.157 4.277 4.120 -0.000 0.000 0.277 65 V C -0.297 175.885 176.094 0.145 0.000 1.017 65 V CA -0.630 61.706 62.300 0.061 0.000 0.820 65 V CB 1.030 32.863 31.823 0.017 0.000 1.028 65 V HN 0.824 nan 8.190 nan 0.000 0.436 66 S N 3.341 119.140 115.700 0.165 0.000 2.600 66 S HA 0.688 5.158 4.470 -0.000 0.000 0.300 66 S C 0.814 175.574 174.600 0.267 0.000 1.087 66 S CA 0.055 58.434 58.200 0.298 0.000 0.965 66 S CB 2.074 65.335 63.200 0.101 0.000 1.089 66 S HN 0.894 nan 8.310 nan 0.000 0.496 67 G N 1.161 110.181 108.800 0.366 0.000 3.397 67 G HA2 0.410 4.370 3.960 -0.000 0.000 0.248 67 G HA3 0.410 4.370 3.960 -0.000 0.000 0.248 67 G C 0.027 174.987 174.900 0.099 0.000 1.284 67 G CA -0.099 45.144 45.100 0.238 0.000 1.570 67 G HN 0.688 nan 8.290 nan 0.000 0.587 68 L N -0.822 120.445 121.223 0.073 0.000 3.573 68 L HA 0.257 4.596 4.340 -0.000 0.000 0.335 68 L C 0.052 176.930 176.870 0.014 0.000 1.321 68 L CA -0.093 54.753 54.840 0.010 0.000 1.009 68 L CB 0.503 42.555 42.059 -0.011 0.000 1.417 68 L HN 0.166 nan 8.230 nan 0.000 0.619 69 Q N -0.196 119.632 119.800 0.046 0.000 2.340 69 Q HA 0.421 4.761 4.340 -0.000 0.000 0.268 69 Q C -1.373 174.691 176.000 0.106 0.000 1.031 69 Q CA -0.900 54.960 55.803 0.094 0.000 0.804 69 Q CB 2.191 30.986 28.738 0.095 0.000 1.286 69 Q HN 0.004 nan 8.270 nan 0.000 0.448 70 Y N 1.655 121.974 120.300 0.032 0.000 2.537 70 Y HA 0.035 4.585 4.550 -0.000 0.000 0.339 70 Y C 0.616 176.532 175.900 0.026 0.000 1.066 70 Y CA -0.059 58.065 58.100 0.040 0.000 1.357 70 Y CB 0.458 38.925 38.460 0.012 0.000 1.175 70 Y HN 0.236 nan 8.280 nan 0.000 0.525 71 R N 3.763 124.358 120.500 0.158 0.000 2.612 71 R HA 0.137 4.476 4.340 -0.000 0.000 0.273 71 R C -1.007 175.284 176.300 -0.016 0.000 1.376 71 R CA -0.291 55.809 56.100 0.000 0.000 1.171 71 R CB -0.298 29.948 30.300 -0.090 0.000 1.151 71 R HN 0.380 nan 8.270 nan 0.000 0.560 72 V N 5.779 125.692 119.914 -0.002 0.000 2.352 72 V HA 0.102 4.222 4.120 -0.000 0.000 0.253 72 V C 0.473 176.550 176.094 -0.028 0.000 1.083 72 V CA -0.167 62.156 62.300 0.039 0.000 0.993 72 V CB -0.709 31.165 31.823 0.085 0.000 1.111 72 V HN 0.293 nan 8.190 nan 0.000 0.490 73 F N 3.764 123.711 119.950 -0.006 0.000 2.418 73 F HA 0.500 5.027 4.527 -0.000 0.000 0.341 73 F C 0.813 176.686 175.800 0.121 0.000 1.120 73 F CA -0.372 57.630 58.000 0.002 0.000 1.232 73 F CB 0.624 39.557 39.000 -0.111 0.000 1.175 73 F HN 0.325 nan 8.300 nan 0.000 0.569 74 R N 3.414 124.090 120.500 0.293 0.000 2.388 74 R HA 0.548 4.888 4.340 -0.000 0.000 0.314 74 R C -1.636 174.586 176.300 -0.130 0.000 0.959 74 R CA -0.748 55.489 56.100 0.228 0.000 0.851 74 R CB 0.687 31.158 30.300 0.285 0.000 1.168 74 R HN 0.617 nan 8.270 nan 0.000 0.472 75 I N 4.725 125.175 120.570 -0.201 0.000 2.304 75 I HA 0.192 4.362 4.170 -0.000 0.000 0.291 75 I C -0.102 175.782 176.117 -0.388 0.000 1.018 75 I CA -0.343 60.780 61.300 -0.294 0.000 1.260 75 I CB 0.907 38.711 38.000 -0.327 0.000 1.390 75 I HN 0.417 nan 8.210 nan 0.000 0.475 76 H N 7.601 126.593 119.070 -0.130 0.000 2.594 76 H HA 0.477 5.033 4.556 -0.000 0.000 0.304 76 H C -0.497 174.681 175.328 -0.250 0.000 1.068 76 H CA -0.347 55.609 56.048 -0.153 0.000 1.308 76 H CB 1.022 30.735 29.762 -0.082 0.000 1.409 76 H HN 0.366 nan 8.280 nan 0.000 0.460 77 L N 6.044 127.147 121.223 -0.201 0.000 2.346 77 L HA 0.339 4.679 4.340 -0.000 0.000 0.276 77 L C -2.107 174.494 176.870 -0.449 0.000 1.006 77 L CA -2.065 52.475 54.840 -0.500 0.000 0.817 77 L CB 2.423 44.158 42.059 -0.540 0.000 1.272 77 L HN 0.353 nan 8.230 nan 0.000 0.421 78 P HA -0.008 nan 4.420 nan 0.000 0.269 78 P C -0.982 176.266 177.300 -0.087 0.000 1.209 78 P CA -0.240 62.644 63.100 -0.360 0.000 0.776 78 P CB 0.740 32.130 31.700 -0.516 0.000 0.876 79 D N 3.454 123.879 120.400 0.042 0.000 2.383 79 D HA 0.052 4.692 4.640 -0.000 0.000 0.252 79 D C -1.238 175.203 176.300 0.235 0.000 1.166 79 D CA -1.881 52.210 54.000 0.152 0.000 0.879 79 D CB 0.528 41.407 40.800 0.131 0.000 1.164 79 D HN 0.177 nan 8.370 nan 0.000 0.462 80 P HA -0.072 nan 4.420 nan 0.000 0.222 80 P C 0.553 178.022 177.300 0.282 0.000 1.153 80 P CA 0.525 63.745 63.100 0.201 0.000 0.798 80 P CB 0.299 31.831 31.700 -0.279 0.000 0.796 81 N N 0.266 119.083 118.700 0.195 0.000 2.573 81 N HA -0.063 4.677 4.740 -0.000 0.000 0.187 81 N C 1.082 176.719 175.510 0.212 0.000 1.107 81 N CA 0.888 54.050 53.050 0.186 0.000 0.918 81 N CB -0.030 38.595 38.487 0.231 0.000 0.966 81 N HN 0.368 nan 8.380 nan 0.000 0.448 82 K N -0.946 119.575 120.400 0.202 0.000 2.554 82 K HA 0.102 4.421 4.320 -0.000 0.000 0.211 82 K C -0.277 176.375 176.600 0.087 0.000 1.226 82 K CA -0.400 55.969 56.287 0.137 0.000 1.025 82 K CB 0.739 33.299 32.500 0.101 0.000 1.021 82 K HN -0.053 nan 8.250 nan 0.000 0.600 83 F N 1.724 121.653 119.950 -0.036 0.000 2.418 83 F HA 0.326 4.853 4.527 -0.000 0.000 0.341 83 F C 1.049 176.675 175.800 -0.290 0.000 1.120 83 F CA -0.525 57.309 58.000 -0.277 0.000 1.232 83 F CB 0.804 39.512 39.000 -0.486 0.000 1.175 83 F HN 0.036 nan 8.300 nan 0.000 0.569 84 G N 6.177 114.318 108.800 -1.099 0.000 2.662 84 G HA2 0.038 3.998 3.960 -0.000 0.000 0.285 84 G HA3 0.038 3.998 3.960 -0.000 0.000 0.285 84 G C -0.651 173.775 174.900 -0.791 0.000 0.672 84 G CA -0.348 44.260 45.100 -0.821 0.000 2.098 84 G HN 0.476 nan 8.290 nan 0.000 0.538 85 F N 1.833 121.670 119.950 -0.189 0.000 2.412 85 F HA 0.246 4.773 4.527 -0.000 0.000 0.348 85 F C -0.293 175.580 175.800 0.122 0.000 1.102 85 F CA -2.082 55.991 58.000 0.122 0.000 1.196 85 F CB 1.610 40.835 39.000 0.376 0.000 1.144 85 F HN 0.244 nan 8.300 nan 0.000 0.541 86 P HA -0.062 nan 4.420 nan 0.000 0.239 86 P C -0.584 176.862 177.300 0.243 0.000 1.184 86 P CA 0.920 64.164 63.100 0.241 0.000 0.760 86 P CB 0.138 31.981 31.700 0.237 0.000 0.884 87 D N -1.374 119.231 120.400 0.342 0.000 2.596 87 D HA 0.291 4.930 4.640 -0.000 0.000 0.262 87 D C -0.131 176.250 176.300 0.136 0.000 1.210 87 D CA -0.426 53.705 54.000 0.218 0.000 0.873 87 D CB 0.935 41.886 40.800 0.252 0.000 1.408 87 D HN -0.196 nan 8.370 nan 0.000 0.441 88 T N -2.108 112.348 114.554 -0.164 0.000 3.403 88 T HA 0.172 4.522 4.350 -0.000 0.000 0.308 88 T C 1.079 175.360 174.700 -0.699 0.000 0.952 88 T CA 0.365 62.168 62.100 -0.494 0.000 0.970 88 T CB -0.453 68.322 68.868 -0.154 0.000 1.189 88 T HN 0.292 nan 8.240 nan 0.000 0.528 89 S N 1.412 116.785 115.700 -0.545 0.000 2.478 89 S HA 0.042 4.512 4.470 -0.000 0.000 0.222 89 S C 1.720 176.131 174.600 -0.315 0.000 1.008 89 S CA -0.035 57.961 58.200 -0.340 0.000 0.928 89 S CB -1.044 62.074 63.200 -0.137 0.000 0.781 89 S HN 0.557 nan 8.310 nan 0.000 0.518 90 F N 1.528 121.486 119.950 0.012 0.000 2.546 90 F HA 0.286 4.813 4.527 -0.000 0.000 0.298 90 F C 0.598 176.437 175.800 0.065 0.000 1.120 90 F CA -1.043 56.960 58.000 0.006 0.000 1.456 90 F CB -1.337 37.639 39.000 -0.040 0.000 1.088 90 F HN 0.430 nan 8.300 nan 0.000 0.572 91 Y N 0.017 120.160 120.300 -0.262 0.000 2.571 91 Y HA 0.529 5.079 4.550 -0.000 0.000 0.341 91 Y C -1.361 174.429 175.900 -0.182 0.000 1.076 91 Y CA -2.326 55.712 58.100 -0.103 0.000 1.029 91 Y CB 0.916 39.405 38.460 0.049 0.000 1.308 91 Y HN -0.086 nan 8.280 nan 0.000 0.461 92 N N 5.811 124.251 118.700 -0.434 0.000 2.462 92 N HA 0.382 5.122 4.740 -0.000 0.000 0.242 92 N C -2.175 172.945 175.510 -0.650 0.000 1.010 92 N CA -2.614 50.119 53.050 -0.527 0.000 0.939 92 N CB 1.291 39.639 38.487 -0.232 0.000 1.127 92 N HN 0.473 nan 8.380 nan 0.000 0.509 93 P HA -0.056 nan 4.420 nan 0.000 0.240 93 P C -0.482 176.697 177.300 -0.202 0.000 1.186 93 P CA 0.894 63.685 63.100 -0.515 0.000 0.755 93 P CB 0.449 31.915 31.700 -0.390 0.000 0.870 94 D N -1.254 119.035 120.400 -0.184 0.000 2.597 94 D HA -0.020 4.620 4.640 -0.000 0.000 0.261 94 D C 1.881 178.135 176.300 -0.076 0.000 1.023 94 D CA 1.506 55.444 54.000 -0.105 0.000 0.927 94 D CB -0.145 40.596 40.800 -0.098 0.000 1.168 94 D HN 0.246 nan 8.370 nan 0.000 0.491 95 T N -1.277 113.232 114.554 -0.075 0.000 3.056 95 T HA 0.043 4.393 4.350 -0.000 0.000 0.241 95 T C 1.123 175.795 174.700 -0.046 0.000 1.006 95 T CA -0.225 61.843 62.100 -0.052 0.000 1.115 95 T CB 0.093 68.937 68.868 -0.039 0.000 0.939 95 T HN 0.101 nan 8.240 nan 0.000 0.462 96 Q N 1.174 120.967 119.800 -0.011 0.000 2.260 96 Q HA 0.529 4.869 4.340 -0.000 0.000 0.242 96 Q C -0.813 175.234 176.000 0.079 0.000 0.932 96 Q CA -0.863 54.962 55.803 0.037 0.000 0.891 96 Q CB 1.262 30.068 28.738 0.113 0.000 1.222 96 Q HN 0.168 nan 8.270 nan 0.000 0.453 97 R N 2.005 122.438 120.500 -0.113 0.000 2.673 97 R HA 0.507 4.847 4.340 -0.000 0.000 0.281 97 R C -0.774 175.416 176.300 -0.184 0.000 0.991 97 R CA -0.812 55.119 56.100 -0.281 0.000 0.896 97 R CB 1.682 31.408 30.300 -0.956 0.000 1.201 97 R HN 0.677 nan 8.270 nan 0.000 0.457 98 L N 1.795 122.904 121.223 -0.189 0.000 2.379 98 L HA 0.664 5.004 4.340 -0.000 0.000 0.269 98 L C -0.178 176.742 176.870 0.084 0.000 1.084 98 L CA -0.967 53.754 54.840 -0.198 0.000 0.802 98 L CB 1.520 43.326 42.059 -0.422 0.000 1.175 98 L HN 0.176 nan 8.230 nan 0.000 0.448 99 V N 0.013 119.924 119.914 -0.006 0.000 2.971 99 V HA 0.350 4.470 4.120 -0.000 0.000 0.309 99 V C -1.085 174.962 176.094 -0.078 0.000 1.130 99 V CA -0.808 61.562 62.300 0.117 0.000 0.964 99 V CB 2.182 34.130 31.823 0.208 0.000 1.029 99 V HN 0.632 nan 8.190 nan 0.000 0.427 100 W N 1.708 123.012 121.300 0.006 0.000 2.303 100 W HA 0.715 5.375 4.660 -0.000 0.000 0.334 100 W C 0.288 176.808 176.519 0.002 0.000 1.197 100 W CA -0.031 57.314 57.345 -0.000 0.000 1.262 100 W CB 1.491 30.911 29.460 -0.067 0.000 1.153 100 W HN 0.737 nan 8.180 nan 0.000 0.596 101 A N 1.808 124.894 122.820 0.444 0.000 2.454 101 A HA 0.725 5.045 4.320 -0.000 0.000 0.302 101 A C -1.723 176.059 177.584 0.331 0.000 1.079 101 A CA -0.598 51.585 52.037 0.245 0.000 0.731 101 A CB 1.422 20.480 19.000 0.098 0.000 1.299 101 A HN 0.680 nan 8.150 nan 0.000 0.413 102 C N 1.514 120.862 119.300 0.080 0.000 2.441 102 C HA 0.691 5.151 4.460 -0.000 0.000 0.318 102 C C 1.091 175.959 174.990 -0.204 0.000 1.222 102 C CA 0.302 59.257 59.018 -0.106 0.000 1.474 102 C CB 0.742 28.438 27.740 -0.073 0.000 2.125 102 C HN 1.387 nan 8.230 nan 0.000 0.479 103 V N 2.902 122.648 119.914 -0.280 0.000 3.480 103 V HA 0.558 4.678 4.120 -0.000 0.000 0.263 103 V C 0.601 176.559 176.094 -0.227 0.000 1.442 103 V CA 0.798 62.942 62.300 -0.259 0.000 1.053 103 V CB -0.109 31.546 31.823 -0.280 0.000 0.846 103 V HN 0.986 nan 8.190 nan 0.000 0.440 104 G N -0.006 108.580 108.800 -0.356 0.000 2.566 104 G HA2 0.662 4.622 3.960 -0.000 0.000 0.311 104 G HA3 0.662 4.622 3.960 -0.000 0.000 0.311 104 G C -1.728 172.896 174.900 -0.459 0.000 1.322 104 G CA -0.546 44.415 45.100 -0.232 0.000 0.969 104 G HN 0.311 nan 8.290 nan 0.000 0.490 105 V N 1.044 120.627 119.914 -0.551 0.000 2.971 105 V HA 0.696 4.816 4.120 -0.000 0.000 0.309 105 V C -0.891 174.688 176.094 -0.859 0.000 1.130 105 V CA -0.736 61.140 62.300 -0.708 0.000 0.964 105 V CB 2.354 33.917 31.823 -0.434 0.000 1.029 105 V HN 0.859 nan 8.190 nan 0.000 0.427 106 E N 2.716 122.392 120.200 -0.874 0.000 2.378 106 E HA 0.357 4.707 4.350 -0.000 0.000 0.282 106 E C -1.711 174.526 176.600 -0.605 0.000 0.910 106 E CA -0.397 55.467 56.400 -0.894 0.000 0.816 106 E CB 2.086 31.371 29.700 -0.691 0.000 1.359 106 E HN 0.438 nan 8.360 nan 0.000 0.397 107 V N 4.123 123.811 119.914 -0.377 0.000 2.287 107 V HA 0.209 4.329 4.120 -0.000 0.000 0.246 107 V C 1.021 177.063 176.094 -0.086 0.000 1.165 107 V CA 0.204 62.441 62.300 -0.105 0.000 1.088 107 V CB 0.214 32.208 31.823 0.284 0.000 1.242 107 V HN 0.684 nan 8.190 nan 0.000 0.497 108 G N 5.326 114.027 108.800 -0.166 0.000 2.353 108 G HA2 0.231 4.191 3.960 -0.000 0.000 0.239 108 G HA3 0.231 4.191 3.960 -0.000 0.000 0.239 108 G C 0.046 174.842 174.900 -0.174 0.000 1.295 108 G CA -0.316 44.703 45.100 -0.136 0.000 0.884 108 G HN 0.512 nan 8.290 nan 0.000 0.537 109 R N 1.460 121.858 120.500 -0.170 0.000 2.502 109 R HA 0.410 4.750 4.340 -0.000 0.000 0.300 109 R C 0.262 176.461 176.300 -0.170 0.000 0.984 109 R CA -0.597 55.329 56.100 -0.289 0.000 0.882 109 R CB 2.080 32.204 30.300 -0.293 0.000 1.180 109 R HN 0.616 nan 8.270 nan 0.000 0.444 110 G N 2.150 110.848 108.800 -0.170 0.000 4.547 110 G HA2 0.155 4.115 3.960 -0.000 0.000 0.301 110 G HA3 0.155 4.115 3.960 -0.000 0.000 0.301 110 G C -0.198 174.665 174.900 -0.061 0.000 1.240 110 G CA -0.096 44.953 45.100 -0.084 0.000 0.970 110 G HN 0.202 nan 8.290 nan 0.000 0.574 111 Q N 0.941 120.699 119.800 -0.070 0.000 2.397 111 Q HA 0.384 4.724 4.340 -0.000 0.000 0.275 111 Q C -2.694 173.293 176.000 -0.022 0.000 1.090 111 Q CA -1.693 54.089 55.803 -0.036 0.000 0.809 111 Q CB 3.174 31.887 28.738 -0.042 0.000 1.362 111 Q HN 0.180 nan 8.270 nan 0.000 0.431 112 P HA 0.105 nan 4.420 nan 0.000 0.271 112 P C -0.381 176.924 177.300 0.010 0.000 1.216 112 P CA -0.409 62.692 63.100 0.003 0.000 0.776 112 P CB 0.816 32.521 31.700 0.008 0.000 0.881 113 L N 2.593 123.822 121.223 0.010 0.000 2.499 113 L HA 0.413 4.753 4.340 -0.000 0.000 0.273 113 L C 1.236 178.118 176.870 0.018 0.000 1.195 113 L CA 1.728 56.578 54.840 0.016 0.000 0.882 113 L CB -0.183 41.886 42.059 0.017 0.000 1.133 113 L HN 0.787 nan 8.230 nan 0.000 0.483 114 G N 2.113 110.927 108.800 0.023 0.000 2.488 114 G HA2 0.584 4.544 3.960 -0.000 0.000 0.301 114 G HA3 0.584 4.544 3.960 -0.000 0.000 0.301 114 G C -1.666 173.243 174.900 0.016 0.000 1.339 114 G CA -0.059 45.052 45.100 0.018 0.000 0.803 114 G HN 0.624 nan 8.290 nan 0.000 0.482 115 V N -2.021 117.896 119.914 0.005 0.000 2.769 115 V HA 0.997 5.117 4.120 -0.000 0.000 0.312 115 V C 0.398 176.472 176.094 -0.033 0.000 1.061 115 V CA -0.103 62.197 62.300 -0.001 0.000 0.931 115 V CB 1.412 33.242 31.823 0.012 0.000 1.010 115 V HN 1.647 nan 8.190 nan 0.000 0.433 116 G N 2.026 110.795 108.800 -0.053 0.000 2.454 116 G HA2 0.735 4.695 3.960 -0.000 0.000 0.329 116 G HA3 0.735 4.695 3.960 -0.000 0.000 0.329 116 G C -1.296 173.564 174.900 -0.067 0.000 1.177 116 G CA -0.885 44.158 45.100 -0.096 0.000 0.951 116 G HN 1.084 nan 8.290 nan 0.000 0.485 117 I N 0.855 121.381 120.570 -0.073 0.000 2.389 117 I HA 0.525 4.695 4.170 -0.000 0.000 0.288 117 I C -0.210 175.894 176.117 -0.022 0.000 0.999 117 I CA -0.379 60.885 61.300 -0.060 0.000 1.129 117 I CB 1.541 39.533 38.000 -0.013 0.000 1.288 117 I HN 0.410 nan 8.210 nan 0.000 0.444 118 S N 4.348 119.980 115.700 -0.113 0.000 2.664 118 S HA 0.982 5.452 4.470 -0.000 0.000 0.304 118 S C -0.224 174.473 174.600 0.162 0.000 1.099 118 S CA -0.661 57.620 58.200 0.135 0.000 1.003 118 S CB 1.907 65.123 63.200 0.028 0.000 1.092 118 S HN 0.912 nan 8.310 nan 0.000 0.525 119 G N 0.293 109.292 108.800 0.333 0.000 2.579 119 G HA2 0.471 4.431 3.960 -0.000 0.000 0.292 119 G HA3 0.471 4.431 3.960 -0.000 0.000 0.292 119 G C -2.250 172.751 174.900 0.168 0.000 1.484 119 G CA -0.583 44.626 45.100 0.180 0.000 0.813 119 G HN 0.611 nan 8.290 nan 0.000 0.515 120 H N 1.418 120.530 119.070 0.070 0.000 2.489 120 H HA 0.511 5.066 4.556 -0.000 0.000 0.343 120 H C -1.934 173.394 175.328 -0.000 0.000 1.086 120 H CA -2.180 53.887 56.048 0.033 0.000 1.198 120 H CB 2.828 32.604 29.762 0.024 0.000 1.490 120 H HN 0.133 nan 8.280 nan 0.000 0.504 121 P HA -0.010 nan 4.420 nan 0.000 0.222 121 P C 0.032 177.450 177.300 0.197 0.000 1.147 121 P CA 1.065 64.287 63.100 0.203 0.000 0.790 121 P CB 0.333 32.087 31.700 0.089 0.000 0.780 122 L N -0.907 120.482 121.223 0.277 0.000 2.637 122 L HA 0.304 4.644 4.340 -0.000 0.000 0.241 122 L C -0.373 176.189 176.870 -0.512 0.000 1.398 122 L CA -0.942 53.793 54.840 -0.174 0.000 0.895 122 L CB 0.581 42.585 42.059 -0.091 0.000 1.183 122 L HN -0.125 nan 8.230 nan 0.000 0.497 123 L N 1.498 122.540 121.223 -0.301 0.000 2.319 123 L HA 0.260 4.600 4.340 -0.000 0.000 0.280 123 L C 0.925 177.689 176.870 -0.177 0.000 1.099 123 L CA 0.326 55.007 54.840 -0.264 0.000 0.828 123 L CB 0.592 42.636 42.059 -0.026 0.000 1.150 123 L HN 0.282 nan 8.230 nan 0.000 0.442 124 N N 4.805 123.380 118.700 -0.208 0.000 2.453 124 N HA -0.094 4.646 4.740 -0.000 0.000 0.302 124 N C -0.784 174.751 175.510 0.042 0.000 1.241 124 N CA 0.396 53.371 53.050 -0.124 0.000 1.129 124 N CB -0.375 38.006 38.487 -0.178 0.000 1.482 124 N HN 0.456 nan 8.380 nan 0.000 0.494 125 K N 3.343 123.756 120.400 0.021 0.000 2.397 125 K HA 0.163 4.483 4.320 -0.000 0.000 0.253 125 K C 0.081 176.630 176.600 -0.084 0.000 0.932 125 K CA -0.662 55.648 56.287 0.039 0.000 0.795 125 K CB 1.501 33.903 32.500 -0.164 0.000 1.159 125 K HN 0.195 nan 8.250 nan 0.000 0.424 126 L N 3.028 124.214 121.223 -0.062 0.000 2.121 126 L HA 0.261 4.601 4.340 -0.000 0.000 0.200 126 L C -0.355 176.434 176.870 -0.135 0.000 1.132 126 L CA 1.638 56.431 54.840 -0.079 0.000 0.782 126 L CB -0.156 41.883 42.059 -0.035 0.000 0.940 126 L HN 0.882 nan 8.230 nan 0.000 0.458 127 D N -1.989 118.341 120.400 -0.118 0.000 2.596 127 D HA 0.289 4.929 4.640 -0.000 0.000 0.234 127 D C -1.417 174.864 176.300 -0.031 0.000 1.181 127 D CA -0.653 53.287 54.000 -0.100 0.000 0.856 127 D CB 0.525 41.292 40.800 -0.054 0.000 1.498 127 D HN 0.036 nan 8.370 nan 0.000 0.446 128 D N -1.236 119.186 120.400 0.037 0.000 2.345 128 D HA 0.375 5.015 4.640 -0.000 0.000 0.247 128 D C 0.494 176.862 176.300 0.114 0.000 1.108 128 D CA -0.098 54.022 54.000 0.200 0.000 0.894 128 D CB 1.054 41.946 40.800 0.154 0.000 1.203 128 D HN 0.410 nan 8.370 nan 0.000 0.430 129 T N -0.041 114.585 114.554 0.120 0.000 3.016 129 T HA 0.072 4.422 4.350 -0.000 0.000 0.271 129 T C 1.424 176.136 174.700 0.020 0.000 0.968 129 T CA -0.261 61.883 62.100 0.072 0.000 0.891 129 T CB -0.160 68.802 68.868 0.155 0.000 1.149 129 T HN 0.514 nan 8.240 nan 0.000 0.524 130 E N 2.242 122.452 120.200 0.016 0.000 2.208 130 E HA -0.237 4.113 4.350 -0.000 0.000 0.202 130 E C 0.352 176.940 176.600 -0.020 0.000 1.014 130 E CA 1.340 57.727 56.400 -0.020 0.000 0.819 130 E CB 0.080 29.776 29.700 -0.007 0.000 0.735 130 E HN 0.530 nan 8.360 nan 0.000 0.469 131 N N -1.599 117.098 118.700 -0.004 0.000 2.929 131 N HA 0.267 5.007 4.740 -0.000 0.000 0.245 131 N C -1.972 173.532 175.510 -0.009 0.000 1.081 131 N CA 0.251 53.294 53.050 -0.011 0.000 1.048 131 N CB 1.300 39.784 38.487 -0.006 0.000 1.629 131 N HN 0.130 nan 8.380 nan 0.000 0.598 132 A N 1.450 124.255 122.820 -0.025 0.000 2.354 132 A HA 0.687 5.007 4.320 -0.000 0.000 0.321 132 A C 0.698 178.268 177.584 -0.023 0.000 1.125 132 A CA -0.021 51.996 52.037 -0.034 0.000 0.799 132 A CB 1.054 20.010 19.000 -0.073 0.000 1.293 132 A HN 0.895 nan 8.150 nan 0.000 0.452 133 S N -0.474 115.218 115.700 -0.014 0.000 2.511 133 S HA 0.576 5.046 4.470 -0.000 0.000 0.214 133 S C 0.412 175.015 174.600 0.005 0.000 0.997 133 S CA 0.535 58.734 58.200 -0.002 0.000 0.908 133 S CB 0.150 63.352 63.200 0.003 0.000 0.803 133 S HN 2.207 nan 8.310 nan 0.000 0.504 134 A N 0.283 123.103 122.820 0.001 0.000 2.560 134 A HA 0.496 4.816 4.320 -0.000 0.000 0.300 134 A C -1.060 176.543 177.584 0.031 0.000 1.062 134 A CA -0.839 51.217 52.037 0.032 0.000 0.767 134 A CB -0.240 18.784 19.000 0.040 0.000 1.288 134 A HN 0.255 nan 8.150 nan 0.000 0.396 135 Y N 1.757 122.061 120.300 0.007 0.000 2.981 135 Y HA 0.072 4.622 4.550 -0.000 0.000 0.359 135 Y C 1.306 177.205 175.900 -0.000 0.000 1.271 135 Y CA 1.680 59.783 58.100 0.004 0.000 1.617 135 Y CB 0.399 38.861 38.460 0.002 0.000 1.154 135 Y HN 1.172 nan 8.280 nan 0.000 0.570 136 A N 5.536 128.411 122.820 0.092 0.000 2.584 136 A HA 0.359 4.679 4.320 -0.000 0.000 0.239 136 A C 0.366 178.061 177.584 0.184 0.000 1.043 136 A CA 0.052 52.162 52.037 0.122 0.000 0.756 136 A CB -0.391 18.632 19.000 0.039 0.000 0.963 136 A HN 1.033 nan 8.150 nan 0.000 0.511 137 A N 3.879 126.753 122.820 0.090 0.000 2.407 137 A HA 0.441 4.761 4.320 -0.000 0.000 0.248 137 A C 0.653 178.265 177.584 0.047 0.000 1.082 137 A CA -0.420 51.654 52.037 0.061 0.000 0.785 137 A CB -0.183 18.836 19.000 0.030 0.000 1.020 137 A HN 0.972 nan 8.150 nan 0.000 0.489 138 N N -0.141 118.578 118.700 0.031 0.000 2.239 138 N HA 0.266 5.005 4.740 -0.000 0.000 0.225 138 N C 0.031 175.544 175.510 0.005 0.000 1.283 138 N CA 1.383 54.443 53.050 0.017 0.000 0.868 138 N CB 0.205 38.691 38.487 -0.000 0.000 1.098 138 N HN 0.826 nan 8.380 nan 0.000 0.436 139 A N 0.622 123.441 122.820 -0.002 0.000 2.444 139 A HA 0.565 4.885 4.320 -0.000 0.000 0.332 139 A C 1.301 178.876 177.584 -0.015 0.000 1.430 139 A CA -0.291 51.739 52.037 -0.012 0.000 0.975 139 A CB -0.398 18.592 19.000 -0.017 0.000 1.147 139 A HN 0.690 nan 8.150 nan 0.000 0.524 140 G N 1.424 110.215 108.800 -0.016 0.000 3.035 140 G HA2 0.035 3.995 3.960 -0.000 0.000 0.201 140 G HA3 0.035 3.995 3.960 -0.000 0.000 0.201 140 G C 0.324 175.212 174.900 -0.021 0.000 1.154 140 G CA 1.525 46.614 45.100 -0.018 0.000 0.836 140 G HN 1.223 nan 8.290 nan 0.000 0.935 141 V N -0.102 119.798 119.914 -0.023 0.000 2.808 141 V HA 0.493 4.613 4.120 -0.000 0.000 0.308 141 V C -0.584 175.491 176.094 -0.031 0.000 1.099 141 V CA 0.098 62.383 62.300 -0.026 0.000 0.920 141 V CB 1.791 33.600 31.823 -0.023 0.000 1.014 141 V HN 0.814 nan 8.190 nan 0.000 0.425 142 D N 3.012 123.390 120.400 -0.037 0.000 3.026 142 D HA -0.144 4.496 4.640 -0.000 0.000 0.248 142 D C 0.628 176.899 176.300 -0.048 0.000 1.100 142 D CA 0.704 54.677 54.000 -0.044 0.000 0.855 142 D CB -0.592 40.185 40.800 -0.039 0.000 1.011 142 D HN 0.772 nan 8.370 nan 0.000 0.423 143 N N 0.645 119.314 118.700 -0.052 0.000 2.422 143 N HA 0.033 4.773 4.740 -0.000 0.000 0.181 143 N C 0.342 175.810 175.510 -0.072 0.000 1.080 143 N CA 0.021 53.037 53.050 -0.056 0.000 0.893 143 N CB 0.148 38.602 38.487 -0.055 0.000 0.973 143 N HN 0.390 nan 8.380 nan 0.000 0.456 144 R N 1.407 121.859 120.500 -0.079 0.000 2.416 144 R HA -0.150 4.190 4.340 -0.000 0.000 0.278 144 R C -0.007 176.238 176.300 -0.092 0.000 0.954 144 R CA 0.984 57.025 56.100 -0.099 0.000 1.077 144 R CB -0.104 30.127 30.300 -0.114 0.000 0.832 144 R HN 0.418 nan 8.270 nan 0.000 0.432 145 E N 0.295 120.434 120.200 -0.101 0.000 2.458 145 E HA 0.210 4.560 4.350 -0.000 0.000 0.278 145 E C -1.271 175.294 176.600 -0.059 0.000 1.004 145 E CA -0.956 55.394 56.400 -0.083 0.000 0.823 145 E CB 1.489 31.122 29.700 -0.112 0.000 1.396 145 E HN 0.477 nan 8.360 nan 0.000 0.463 146 C N 2.088 121.367 119.300 -0.035 0.000 2.281 146 C HA 0.605 5.064 4.460 -0.000 0.000 0.336 146 C C -0.291 174.700 174.990 0.002 0.000 1.217 146 C CA -0.023 58.996 59.018 0.003 0.000 1.730 146 C CB -1.980 25.762 27.740 0.003 0.000 2.338 146 C HN 0.425 nan 8.230 nan 0.000 0.521 147 I N 5.156 125.749 120.570 0.040 0.000 2.994 147 I HA 0.543 4.713 4.170 -0.000 0.000 0.306 147 I C -0.045 176.131 176.117 0.100 0.000 1.195 147 I CA -0.117 61.220 61.300 0.062 0.000 1.001 147 I CB 2.678 40.734 38.000 0.094 0.000 1.244 147 I HN 0.672 nan 8.210 nan 0.000 0.437 148 S N 4.510 120.262 115.700 0.087 0.000 2.806 148 S HA 0.901 5.371 4.470 -0.000 0.000 0.306 148 S C -0.703 173.921 174.600 0.040 0.000 1.167 148 S CA -0.672 57.571 58.200 0.072 0.000 0.847 148 S CB 2.679 65.910 63.200 0.052 0.000 1.216 148 S HN 0.740 nan 8.310 nan 0.000 0.532 149 M N -0.530 119.047 119.600 -0.038 0.000 3.604 149 M HA 0.539 5.019 4.480 -0.000 0.000 0.301 149 M C -2.459 173.735 176.300 -0.176 0.000 1.414 149 M CA -0.681 54.561 55.300 -0.098 0.000 0.860 149 M CB 1.145 33.692 32.600 -0.087 0.000 1.797 149 M HN 0.713 nan 8.290 nan 0.000 0.489 150 D N 1.064 121.360 120.400 -0.173 0.000 2.408 150 D HA 0.364 5.004 4.640 -0.000 0.000 0.261 150 D C -1.190 175.056 176.300 -0.090 0.000 1.190 150 D CA -0.165 53.755 54.000 -0.133 0.000 0.910 150 D CB -0.237 40.529 40.800 -0.055 0.000 1.097 150 D HN 0.585 nan 8.370 nan 0.000 0.522 151 Y N 1.725 122.007 120.300 -0.030 0.000 2.993 151 Y HA -0.192 4.358 4.550 -0.000 0.000 0.340 151 Y C 1.776 177.649 175.900 -0.045 0.000 1.273 151 Y CA -0.182 57.888 58.100 -0.050 0.000 1.545 151 Y CB 0.673 39.127 38.460 -0.010 0.000 1.275 151 Y HN 0.334 nan 8.280 nan 0.000 0.617 152 K N 3.810 124.280 120.400 0.117 0.000 2.578 152 K HA -0.208 4.112 4.320 -0.000 0.000 0.279 152 K C -0.510 176.138 176.600 0.080 0.000 0.983 152 K CA 0.129 56.456 56.287 0.067 0.000 1.078 152 K CB 0.334 32.852 32.500 0.030 0.000 0.852 152 K HN 0.665 nan 8.250 nan 0.000 0.490 153 Q N 2.588 122.434 119.800 0.077 0.000 2.307 153 Q HA 0.090 4.430 4.340 -0.000 0.000 0.259 153 Q C -0.950 175.094 176.000 0.074 0.000 0.998 153 Q CA 0.012 55.860 55.803 0.076 0.000 0.923 153 Q CB 1.084 29.867 28.738 0.075 0.000 1.196 153 Q HN 0.701 nan 8.270 nan 0.000 0.416 154 T N 3.609 118.206 114.554 0.071 0.000 2.841 154 T HA 0.339 4.689 4.350 -0.000 0.000 0.285 154 T C -0.851 173.908 174.700 0.099 0.000 0.991 154 T CA -0.642 61.507 62.100 0.082 0.000 0.966 154 T CB 1.580 70.487 68.868 0.065 0.000 0.962 154 T HN 0.488 nan 8.240 nan 0.000 0.438 155 Q N 2.894 122.774 119.800 0.134 0.000 2.309 155 Q HA 0.669 5.009 4.340 -0.000 0.000 0.270 155 Q C -1.542 174.574 176.000 0.194 0.000 1.023 155 Q CA -0.886 55.052 55.803 0.226 0.000 0.758 155 Q CB 0.772 29.622 28.738 0.188 0.000 1.247 155 Q HN 0.680 nan 8.270 nan 0.000 0.455 156 L N 0.775 122.181 121.223 0.304 0.000 2.518 156 L HA 0.911 5.251 4.340 -0.000 0.000 0.257 156 L C -1.746 175.309 176.870 0.309 0.000 0.980 156 L CA -0.883 54.068 54.840 0.186 0.000 0.837 156 L CB 1.866 44.023 42.059 0.162 0.000 1.410 156 L HN 0.604 nan 8.230 nan 0.000 0.410 157 C N 2.858 122.214 119.300 0.094 0.000 2.701 157 C HA 0.845 5.305 4.460 -0.000 0.000 0.336 157 C C -1.445 173.552 174.990 0.011 0.000 1.123 157 C CA -0.452 58.651 59.018 0.141 0.000 1.326 157 C CB 0.769 28.595 27.740 0.144 0.000 1.833 157 C HN 0.921 nan 8.230 nan 0.000 0.473 158 L N 6.625 127.914 121.223 0.111 0.000 2.406 158 L HA 0.634 4.974 4.340 -0.000 0.000 0.272 158 L C -0.714 176.229 176.870 0.121 0.000 0.980 158 L CA -0.496 54.400 54.840 0.093 0.000 0.831 158 L CB 1.661 43.772 42.059 0.088 0.000 1.253 158 L HN 0.569 nan 8.230 nan 0.000 0.406 159 I N 2.138 122.797 120.570 0.147 0.000 2.433 159 I HA 0.792 4.962 4.170 -0.000 0.000 0.292 159 I C 0.428 176.384 176.117 -0.268 0.000 1.001 159 I CA -0.144 61.255 61.300 0.164 0.000 1.119 159 I CB 2.055 40.330 38.000 0.457 0.000 1.289 159 I HN 0.683 nan 8.210 nan 0.000 0.438 160 G N 2.695 111.304 108.800 -0.318 0.000 2.687 160 G HA2 0.412 4.372 3.960 -0.000 0.000 0.291 160 G HA3 0.412 4.372 3.960 -0.000 0.000 0.291 160 G C -0.035 174.716 174.900 -0.249 0.000 1.420 160 G CA -0.453 44.251 45.100 -0.661 0.000 0.796 160 G HN 0.723 nan 8.290 nan 0.000 0.485 161 C N -1.270 117.928 119.300 -0.170 0.000 2.906 161 C HA 0.554 5.014 4.460 -0.000 0.000 0.274 161 C C 0.398 175.325 174.990 -0.105 0.000 1.257 161 C CA -0.854 58.136 59.018 -0.048 0.000 1.695 161 C CB -1.038 26.756 27.740 0.091 0.000 1.958 161 C HN 0.289 nan 8.230 nan 0.000 0.619 162 K N 1.861 122.267 120.400 0.010 0.000 2.340 162 K HA 0.589 4.909 4.320 -0.000 0.000 0.244 162 K C -2.912 173.897 176.600 0.347 0.000 0.973 162 K CA -1.993 54.358 56.287 0.107 0.000 0.828 162 K CB 1.464 33.983 32.500 0.032 0.000 1.226 162 K HN -0.026 nan 8.250 nan 0.000 0.437 163 P HA 0.147 nan 4.420 nan 0.000 0.272 163 P C -2.461 174.697 177.300 -0.238 0.000 1.223 163 P CA -1.165 61.755 63.100 -0.300 0.000 0.784 163 P CB -0.358 31.068 31.700 -0.458 0.000 0.923 164 P HA 0.220 nan 4.420 nan 0.000 0.271 164 P C -0.365 176.797 177.300 -0.230 0.000 1.216 164 P CA 0.365 63.334 63.100 -0.218 0.000 0.776 164 P CB 0.565 32.152 31.700 -0.187 0.000 0.881 165 I N 2.202 122.644 120.570 -0.213 0.000 2.405 165 I HA 0.297 4.467 4.170 -0.000 0.000 0.280 165 I C 1.271 177.242 176.117 -0.242 0.000 1.027 165 I CA -0.523 60.651 61.300 -0.209 0.000 1.161 165 I CB 1.379 39.285 38.000 -0.157 0.000 1.300 165 I HN 0.373 nan 8.210 nan 0.000 0.463 166 G N 5.274 113.922 108.800 -0.254 0.000 2.553 166 G HA2 0.485 4.445 3.960 -0.000 0.000 0.278 166 G HA3 0.485 4.445 3.960 -0.000 0.000 0.278 166 G C -0.535 174.280 174.900 -0.141 0.000 1.349 166 G CA -0.231 44.730 45.100 -0.231 0.000 1.037 166 G HN 0.723 nan 8.290 nan 0.000 0.508 167 E N -1.460 118.690 120.200 -0.082 0.000 2.383 167 E HA 0.603 4.953 4.350 -0.000 0.000 0.275 167 E C -1.259 175.358 176.600 0.027 0.000 0.918 167 E CA -1.027 55.332 56.400 -0.068 0.000 0.764 167 E CB 2.391 31.995 29.700 -0.158 0.000 1.252 167 E HN 0.806 nan 8.360 nan 0.000 0.449 168 H N -0.463 118.450 119.070 -0.262 0.000 2.950 168 H HA 0.325 4.880 4.556 -0.000 0.000 0.307 168 H C -1.898 173.279 175.328 -0.252 0.000 1.403 168 H CA -1.235 54.684 56.048 -0.215 0.000 1.145 168 H CB 0.028 29.733 29.762 -0.094 0.000 1.844 168 H HN 0.663 nan 8.280 nan 0.000 0.515 169 W N 0.115 121.276 121.300 -0.231 0.000 2.448 169 W HA 0.648 5.308 4.660 -0.000 0.000 0.339 169 W C 0.564 176.938 176.519 -0.242 0.000 1.124 169 W CA 0.224 57.424 57.345 -0.241 0.000 1.262 169 W CB 2.029 31.440 29.460 -0.082 0.000 1.251 169 W HN 0.983 nan 8.180 nan 0.000 0.597 170 G N 0.688 109.540 108.800 0.086 0.000 2.753 170 G HA2 0.405 4.365 3.960 -0.000 0.000 0.303 170 G HA3 0.405 4.365 3.960 -0.000 0.000 0.303 170 G C -1.837 173.112 174.900 0.081 0.000 1.242 170 G CA -0.928 44.216 45.100 0.073 0.000 0.810 170 G HN 0.248 nan 8.290 nan 0.000 0.515 171 K N 0.383 120.819 120.400 0.060 0.000 2.425 171 K HA 0.537 4.857 4.320 -0.000 0.000 0.259 171 K C -0.455 176.169 176.600 0.040 0.000 0.978 171 K CA -0.582 55.735 56.287 0.050 0.000 0.883 171 K CB 1.031 33.556 32.500 0.042 0.000 1.110 171 K HN 0.650 nan 8.250 nan 0.000 0.436 172 G N 2.693 111.518 108.800 0.041 0.000 3.288 172 G HA2 0.108 4.068 3.960 -0.000 0.000 0.337 172 G HA3 0.108 4.068 3.960 -0.000 0.000 0.337 172 G C -0.401 174.515 174.900 0.027 0.000 1.142 172 G CA -0.353 44.765 45.100 0.031 0.000 1.304 172 G HN 0.656 nan 8.290 nan 0.000 0.475 173 S N 1.940 117.654 115.700 0.023 0.000 4.678 173 S HA -0.137 4.333 4.470 -0.000 0.000 0.562 173 S C -0.881 173.730 174.600 0.018 0.000 0.956 173 S CA -0.104 58.107 58.200 0.018 0.000 1.106 173 S CB 0.144 63.353 63.200 0.015 0.000 1.970 173 S HN 0.590 nan 8.310 nan 0.000 0.358 174 P HA -0.037 nan 4.420 nan 0.000 0.282 174 P C -0.156 177.152 177.300 0.014 0.000 1.522 174 P CA -0.079 63.030 63.100 0.015 0.000 1.163 174 P CB 0.402 32.109 31.700 0.012 0.000 1.149 175 C N -0.703 118.605 119.300 0.012 0.000 2.369 175 C HA 0.288 4.748 4.460 -0.000 0.000 0.322 175 C C -0.105 174.891 174.990 0.009 0.000 1.258 175 C CA -0.181 58.844 59.018 0.011 0.000 1.487 175 C CB 0.404 28.151 27.740 0.011 0.000 2.165 175 C HN 0.420 nan 8.230 nan 0.000 0.483 176 T N 4.863 119.422 114.554 0.009 0.000 2.825 176 T HA 0.345 4.695 4.350 -0.000 0.000 0.270 176 T C -0.396 174.308 174.700 0.006 0.000 0.919 176 T CA 0.478 62.582 62.100 0.007 0.000 1.159 176 T CB -0.384 68.488 68.868 0.007 0.000 0.889 176 T HN 0.804 nan 8.240 nan 0.000 0.565 177 Q N 0.417 120.221 119.800 0.006 0.000 2.889 177 Q HA 0.265 4.605 4.340 -0.000 0.000 0.262 177 Q C -0.935 175.068 176.000 0.005 0.000 0.966 177 Q CA -1.022 54.785 55.803 0.005 0.000 0.858 177 Q CB 1.129 29.871 28.738 0.006 0.000 1.845 177 Q HN 0.290 nan 8.270 nan 0.000 0.464 178 V N 0.443 120.360 119.914 0.004 0.000 5.868 178 V HA -0.266 3.854 4.120 -0.000 0.000 0.152 178 V C 0.486 176.583 176.094 0.004 0.000 0.726 178 V CA 1.380 63.682 62.300 0.004 0.000 0.519 178 V CB -1.505 30.320 31.823 0.004 0.000 0.388 178 V HN 0.858 nan 8.190 nan 0.000 0.380 179 A N 4.869 127.692 122.820 0.004 0.000 3.051 179 A HA 0.537 4.857 4.320 -0.000 0.000 0.257 179 A C 0.721 178.307 177.584 0.003 0.000 1.785 179 A CA 0.305 52.344 52.037 0.004 0.000 1.420 179 A CB -0.751 18.252 19.000 0.004 0.000 1.063 179 A HN 2.138 nan 8.150 nan 0.000 0.630 180 V N -2.166 117.750 119.914 0.003 0.000 3.792 180 V HA -0.213 3.907 4.120 -0.000 0.000 0.539 180 V C 0.143 176.238 176.094 0.001 0.000 0.683 180 V CA 0.765 63.066 62.300 0.002 0.000 2.103 180 V CB -0.597 31.227 31.823 0.002 0.000 2.498 180 V HN 0.906 nan 8.190 nan 0.000 0.520 181 Q N 4.214 124.014 119.800 0.000 0.000 2.368 181 Q HA 0.379 4.719 4.340 -0.000 0.000 0.256 181 Q C -2.493 173.506 176.000 -0.002 0.000 0.980 181 Q CA -2.267 53.536 55.803 -0.001 0.000 0.887 181 Q CB 1.377 30.114 28.738 -0.001 0.000 1.221 181 Q HN 0.730 nan 8.270 nan 0.000 0.458 182 P HA -0.135 nan 4.420 nan 0.000 0.231 182 P C 0.243 177.540 177.300 -0.004 0.000 1.048 182 P CA 1.695 64.794 63.100 -0.003 0.000 0.925 182 P CB -0.179 31.519 31.700 -0.003 0.000 0.852 183 G N 2.781 111.578 108.800 -0.004 0.000 2.901 183 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.194 183 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.194 183 G C 0.013 174.909 174.900 -0.006 0.000 1.020 183 G CA -0.509 44.587 45.100 -0.007 0.000 0.787 183 G HN 0.476 nan 8.290 nan 0.000 0.477 184 D N 1.708 122.106 120.400 -0.004 0.000 2.419 184 D HA 0.310 4.950 4.640 -0.000 0.000 0.281 184 D C 1.298 177.595 176.300 -0.004 0.000 1.398 184 D CA 0.707 54.705 54.000 -0.003 0.000 1.047 184 D CB -0.148 40.651 40.800 -0.001 0.000 1.115 184 D HN 0.572 nan 8.370 nan 0.000 0.540 185 C N 4.875 124.170 119.300 -0.007 0.000 2.262 185 C HA -0.084 4.376 4.460 -0.000 0.000 0.387 185 C C -1.606 173.380 174.990 -0.007 0.000 1.466 185 C CA -1.343 57.669 59.018 -0.010 0.000 1.530 185 C CB -0.322 27.408 27.740 -0.016 0.000 2.563 185 C HN 0.544 nan 8.230 nan 0.000 0.572 186 P HA 0.207 nan 4.420 nan 0.000 0.266 186 P C -2.507 174.794 177.300 0.001 0.000 1.193 186 P CA -0.385 62.717 63.100 0.004 0.000 0.770 186 P CB -0.194 31.512 31.700 0.010 0.000 0.836 187 P HA 0.141 nan 4.420 nan 0.000 0.282 187 P C -0.441 176.879 177.300 0.034 0.000 1.274 187 P CA -0.011 63.100 63.100 0.018 0.000 0.770 187 P CB 0.327 32.043 31.700 0.026 0.000 0.867 188 L N 3.305 124.542 121.223 0.024 0.000 2.456 188 L HA 0.480 4.820 4.340 -0.000 0.000 0.257 188 L C 0.635 177.624 176.870 0.199 0.000 1.162 188 L CA 0.190 55.076 54.840 0.075 0.000 0.808 188 L CB 0.101 42.087 42.059 -0.121 0.000 1.136 188 L HN 0.483 nan 8.230 nan 0.000 0.466 189 E N 1.428 121.844 120.200 0.360 0.000 2.481 189 E HA 0.125 4.475 4.350 -0.000 0.000 0.301 189 E C -1.720 174.929 176.600 0.082 0.000 0.948 189 E CA -0.753 55.799 56.400 0.254 0.000 0.804 189 E CB 1.617 31.373 29.700 0.094 0.000 1.265 189 E HN 0.316 nan 8.360 nan 0.000 0.406 190 L N 5.966 127.089 121.223 -0.166 0.000 2.534 190 L HA 0.325 4.664 4.340 -0.000 0.000 0.271 190 L C -0.820 175.821 176.870 -0.381 0.000 1.178 190 L CA 0.683 55.148 54.840 -0.625 0.000 0.907 190 L CB 0.071 41.694 42.059 -0.726 0.000 1.164 190 L HN 0.473 nan 8.230 nan 0.000 0.482 191 I N 5.728 126.020 120.570 -0.463 0.000 2.439 191 I HA 0.328 4.498 4.170 -0.000 0.000 0.283 191 I C -0.233 175.801 176.117 -0.138 0.000 1.023 191 I CA -0.580 60.540 61.300 -0.300 0.000 1.100 191 I CB 1.128 38.917 38.000 -0.352 0.000 1.238 191 I HN 0.520 nan 8.210 nan 0.000 0.445 192 N N 4.075 122.725 118.700 -0.084 0.000 2.498 192 N HA 0.514 5.254 4.740 -0.000 0.000 0.287 192 N C -0.312 175.185 175.510 -0.021 0.000 1.097 192 N CA 0.038 53.046 53.050 -0.071 0.000 0.973 192 N CB 2.380 40.817 38.487 -0.083 0.000 1.153 192 N HN 0.675 nan 8.380 nan 0.000 0.472 193 T N -1.777 112.754 114.554 -0.038 0.000 2.769 193 T HA 0.317 4.667 4.350 -0.000 0.000 0.306 193 T C -1.278 173.348 174.700 -0.124 0.000 1.400 193 T CA -0.647 61.425 62.100 -0.045 0.000 1.007 193 T CB 0.570 69.426 68.868 -0.020 0.000 1.392 193 T HN 0.005 nan 8.240 nan 0.000 0.500 194 V N 3.209 123.045 119.914 -0.131 0.000 2.488 194 V HA 0.383 4.503 4.120 -0.000 0.000 0.277 194 V C 0.559 176.529 176.094 -0.206 0.000 1.046 194 V CA -0.563 61.604 62.300 -0.221 0.000 0.986 194 V CB 0.699 32.269 31.823 -0.422 0.000 0.989 194 V HN 0.690 nan 8.190 nan 0.000 0.475 195 I N 5.660 126.075 120.570 -0.258 0.000 2.243 195 I HA 0.202 4.372 4.170 -0.000 0.000 0.297 195 I C 0.682 176.691 176.117 -0.180 0.000 1.161 195 I CA -0.024 61.069 61.300 -0.344 0.000 1.298 195 I CB -0.139 37.535 38.000 -0.543 0.000 1.475 195 I HN 0.692 nan 8.210 nan 0.000 0.561 196 Q N 3.654 123.370 119.800 -0.140 0.000 2.368 196 Q HA 0.114 4.454 4.340 -0.000 0.000 0.237 196 Q C 0.116 176.076 176.000 -0.068 0.000 0.987 196 Q CA -0.512 55.225 55.803 -0.110 0.000 0.896 196 Q CB 1.356 29.947 28.738 -0.246 0.000 1.241 196 Q HN 0.468 nan 8.270 nan 0.000 0.485 197 D N -0.616 119.773 120.400 -0.019 0.000 2.488 197 D HA 0.020 4.660 4.640 -0.000 0.000 0.238 197 D C 0.633 176.919 176.300 -0.023 0.000 1.138 197 D CA 1.591 55.595 54.000 0.006 0.000 0.873 197 D CB 0.555 41.356 40.800 0.002 0.000 1.183 197 D HN 0.783 nan 8.370 nan 0.000 0.458 198 G N 3.974 112.793 108.800 0.031 0.000 2.307 198 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.210 198 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.210 198 G C 0.104 175.032 174.900 0.048 0.000 1.005 198 G CA 0.089 45.201 45.100 0.020 0.000 0.634 198 G HN 0.630 nan 8.290 nan 0.000 0.496 199 D N 1.889 122.317 120.400 0.047 0.000 2.378 199 D HA 0.390 5.030 4.640 -0.000 0.000 0.238 199 D C 0.957 177.368 176.300 0.185 0.000 1.180 199 D CA 0.214 54.240 54.000 0.043 0.000 0.895 199 D CB 0.370 41.105 40.800 -0.108 0.000 1.192 199 D HN 0.060 nan 8.370 nan 0.000 0.438 200 M N 1.469 121.140 119.600 0.119 0.000 2.120 200 M HA 0.128 4.608 4.480 -0.000 0.000 0.354 200 M C 0.256 176.675 176.300 0.198 0.000 1.287 200 M CA -0.801 54.572 55.300 0.121 0.000 1.103 200 M CB 0.659 33.291 32.600 0.053 0.000 1.623 200 M HN 0.198 nan 8.290 nan 0.000 0.471 201 V N 0.354 120.342 119.914 0.122 0.000 3.432 201 V HA 0.171 4.290 4.120 -0.000 0.000 0.304 201 V C 0.488 176.614 176.094 0.053 0.000 1.107 201 V CA -0.763 61.562 62.300 0.041 0.000 1.153 201 V CB 0.202 31.912 31.823 -0.188 0.000 1.072 201 V HN 0.788 nan 8.190 nan 0.000 0.485 202 D N 0.949 121.397 120.400 0.081 0.000 2.423 202 D HA 0.205 4.844 4.640 -0.000 0.000 0.238 202 D C 1.030 177.291 176.300 -0.065 0.000 1.142 202 D CA 0.905 54.919 54.000 0.023 0.000 0.884 202 D CB 1.336 42.135 40.800 -0.002 0.000 1.199 202 D HN 1.050 nan 8.370 nan 0.000 0.438 203 T N -0.406 114.097 114.554 -0.085 0.000 3.058 203 T HA 0.431 4.781 4.350 -0.000 0.000 0.278 203 T C 1.073 175.750 174.700 -0.037 0.000 0.974 203 T CA 0.361 62.321 62.100 -0.234 0.000 0.893 203 T CB 0.463 68.843 68.868 -0.814 0.000 1.138 203 T HN 0.562 nan 8.240 nan 0.000 0.529 204 G N 0.776 109.544 108.800 -0.052 0.000 2.613 204 G HA2 -0.043 3.916 3.960 -0.000 0.000 0.199 204 G HA3 -0.043 3.916 3.960 -0.000 0.000 0.199 204 G C 0.130 174.914 174.900 -0.193 0.000 0.991 204 G CA -0.426 44.587 45.100 -0.145 0.000 0.756 204 G HN 0.443 nan 8.290 nan 0.000 0.515 205 F N 2.183 122.243 119.950 0.183 0.000 2.772 205 F HA 0.489 5.016 4.527 -0.000 0.000 0.302 205 F C 1.511 177.452 175.800 0.235 0.000 1.136 205 F CA 0.413 58.545 58.000 0.221 0.000 1.322 205 F CB 0.996 40.147 39.000 0.253 0.000 0.967 205 F HN 0.601 nan 8.300 nan 0.000 0.513 206 G N 1.211 110.160 108.800 0.248 0.000 2.860 206 G HA2 0.057 4.017 3.960 -0.000 0.000 0.553 206 G HA3 0.057 4.017 3.960 -0.000 0.000 0.553 206 G C -0.728 174.281 174.900 0.182 0.000 1.439 206 G CA -0.645 44.574 45.100 0.197 0.000 0.879 206 G HN 0.623 nan 8.290 nan 0.000 0.545 207 A N 0.573 123.496 122.820 0.172 0.000 2.304 207 A HA 1.049 5.369 4.320 -0.000 0.000 0.323 207 A C 0.392 178.111 177.584 0.225 0.000 1.195 207 A CA 0.803 52.921 52.037 0.134 0.000 0.826 207 A CB 0.702 19.776 19.000 0.125 0.000 1.184 207 A HN 2.362 nan 8.150 nan 0.000 0.496 208 M N 0.237 119.887 119.600 0.083 0.000 3.502 208 M HA 0.416 4.896 4.480 -0.000 0.000 0.379 208 M C -2.187 174.107 176.300 -0.010 0.000 1.462 208 M CA -0.812 54.590 55.300 0.170 0.000 0.916 208 M CB 1.003 33.722 32.600 0.197 0.000 2.375 208 M HN 0.436 nan 8.290 nan 0.000 0.532 209 D N 0.511 120.963 120.400 0.087 0.000 2.440 209 D HA 0.506 5.146 4.640 -0.000 0.000 0.239 209 D C -0.485 175.858 176.300 0.072 0.000 1.084 209 D CA -0.406 53.619 54.000 0.042 0.000 0.843 209 D CB 0.784 41.691 40.800 0.180 0.000 1.097 209 D HN 0.600 nan 8.370 nan 0.000 0.531 210 F N 1.150 121.156 119.950 0.093 0.000 2.367 210 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 210 F C 2.296 178.121 175.800 0.041 0.000 1.094 210 F CA 0.454 58.488 58.000 0.057 0.000 1.409 210 F CB 0.341 39.371 39.000 0.050 0.000 1.064 210 F HN 0.303 nan 8.300 nan 0.000 0.528 211 T N -1.335 113.339 114.554 0.200 0.000 3.007 211 T HA -0.137 4.213 4.350 -0.000 0.000 0.270 211 T C 1.916 176.673 174.700 0.093 0.000 1.107 211 T CA 1.749 63.925 62.100 0.126 0.000 1.118 211 T CB -0.332 68.594 68.868 0.097 0.000 0.889 211 T HN 0.437 nan 8.240 nan 0.000 0.506 212 T N -1.464 113.151 114.554 0.101 0.000 2.964 212 T HA 0.244 4.594 4.350 -0.000 0.000 0.250 212 T C 1.715 176.460 174.700 0.074 0.000 0.982 212 T CA -0.350 61.795 62.100 0.076 0.000 0.959 212 T CB -0.149 68.765 68.868 0.076 0.000 1.141 212 T HN 0.051 nan 8.240 nan 0.000 0.494 213 L N 1.015 122.299 121.223 0.101 0.000 2.156 213 L HA 0.332 4.672 4.340 -0.000 0.000 0.208 213 L C 0.800 177.707 176.870 0.061 0.000 1.095 213 L CA 1.475 56.368 54.840 0.089 0.000 0.770 213 L CB -0.883 41.257 42.059 0.134 0.000 0.914 213 L HN 0.521 nan 8.230 nan 0.000 0.439 214 Q N -1.422 118.422 119.800 0.073 0.000 2.381 214 Q HA 0.398 4.738 4.340 -0.000 0.000 0.263 214 Q C 0.556 176.563 176.000 0.011 0.000 1.030 214 Q CA -0.057 55.753 55.803 0.012 0.000 0.772 214 Q CB 1.814 30.536 28.738 -0.028 0.000 1.232 214 Q HN 0.125 nan 8.270 nan 0.000 0.476 215 A N 2.884 125.702 122.820 -0.004 0.000 2.030 215 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 215 A C 1.732 179.307 177.584 -0.016 0.000 1.164 215 A CA 0.614 52.650 52.037 -0.001 0.000 0.697 215 A CB -0.160 18.838 19.000 -0.003 0.000 0.827 215 A HN 0.840 nan 8.150 nan 0.000 0.457 216 N N 0.748 119.426 118.700 -0.038 0.000 2.182 216 N HA -0.301 4.439 4.740 -0.000 0.000 0.200 216 N C 0.668 176.150 175.510 -0.046 0.000 0.989 216 N CA 2.078 55.093 53.050 -0.059 0.000 0.907 216 N CB -0.356 38.071 38.487 -0.100 0.000 1.048 216 N HN 0.557 nan 8.380 nan 0.000 0.494 217 K N -0.473 119.913 120.400 -0.023 0.000 3.148 217 K HA -0.204 4.116 4.320 -0.000 0.000 0.267 217 K C -1.213 175.410 176.600 0.038 0.000 0.996 217 K CA 0.943 57.240 56.287 0.017 0.000 0.737 217 K CB -1.714 30.801 32.500 0.026 0.000 1.308 217 K HN 0.474 nan 8.250 nan 0.000 0.470 218 S N -0.864 114.806 115.700 -0.049 0.000 3.907 218 S HA 0.063 4.533 4.470 -0.000 0.000 0.094 218 S C -0.317 174.097 174.600 -0.310 0.000 0.860 218 S CA -0.588 57.509 58.200 -0.172 0.000 0.828 218 S CB -0.176 62.788 63.200 -0.393 0.000 1.108 218 S HN 0.376 nan 8.310 nan 0.000 0.715 219 E N 0.793 120.802 120.200 -0.318 0.000 2.601 219 E HA 0.321 4.671 4.350 -0.000 0.000 0.219 219 E C 0.158 176.369 176.600 -0.649 0.000 0.964 219 E CA 0.190 56.283 56.400 -0.512 0.000 1.050 219 E CB 1.746 31.113 29.700 -0.554 0.000 1.068 219 E HN 0.755 nan 8.360 nan 0.000 0.496 220 V N -2.084 117.585 119.914 -0.408 0.000 2.924 220 V HA 0.400 4.520 4.120 -0.000 0.000 0.300 220 V C -3.079 173.058 176.094 0.072 0.000 1.227 220 V CA -2.881 59.230 62.300 -0.314 0.000 0.954 220 V CB 1.707 33.148 31.823 -0.637 0.000 1.055 220 V HN -0.233 nan 8.190 nan 0.000 0.429 221 P HA -0.050 nan 4.420 nan 0.000 0.272 221 P C 0.882 178.359 177.300 0.295 0.000 1.194 221 P CA 0.274 63.562 63.100 0.313 0.000 0.777 221 P CB 0.395 32.335 31.700 0.400 0.000 0.814 222 L N 2.234 123.604 121.223 0.245 0.000 2.187 222 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 222 L C 1.750 178.818 176.870 0.329 0.000 1.100 222 L CA 2.210 57.153 54.840 0.172 0.000 0.765 222 L CB -1.210 40.929 42.059 0.133 0.000 0.904 222 L HN 0.487 nan 8.230 nan 0.000 0.437 223 D N -0.907 119.749 120.400 0.427 0.000 2.183 223 D HA -0.190 4.450 4.640 -0.000 0.000 0.203 223 D C 1.973 178.439 176.300 0.277 0.000 0.969 223 D CA 1.578 55.777 54.000 0.332 0.000 0.842 223 D CB -0.472 40.487 40.800 0.264 0.000 0.957 223 D HN 0.511 nan 8.370 nan 0.000 0.484 224 I N -0.416 120.345 120.570 0.318 0.000 3.035 224 I HA 0.024 4.194 4.170 -0.000 0.000 0.271 224 I C 1.915 178.286 176.117 0.422 0.000 1.190 224 I CA 0.295 61.823 61.300 0.381 0.000 1.472 224 I CB -0.720 37.622 38.000 0.571 0.000 1.116 224 I HN 0.205 nan 8.210 nan 0.000 0.443 225 C N 1.665 121.100 119.300 0.225 0.000 2.403 225 C HA -0.087 4.373 4.460 -0.000 0.000 0.282 225 C C 2.571 177.686 174.990 0.208 0.000 1.297 225 C CA 1.207 60.311 59.018 0.143 0.000 1.785 225 C CB -2.471 25.322 27.740 0.089 0.000 1.963 225 C HN 0.710 nan 8.230 nan 0.000 0.507 226 T N -1.678 112.989 114.554 0.188 0.000 3.163 226 T HA 0.337 4.687 4.350 -0.000 0.000 0.252 226 T C 0.457 175.244 174.700 0.144 0.000 1.056 226 T CA 0.209 62.397 62.100 0.146 0.000 0.947 226 T CB -0.174 68.757 68.868 0.106 0.000 1.016 226 T HN 0.603 nan 8.240 nan 0.000 0.554 227 S N 1.034 116.854 115.700 0.199 0.000 2.776 227 S HA 0.800 5.270 4.470 -0.000 0.000 0.306 227 S C -0.852 173.751 174.600 0.005 0.000 1.114 227 S CA -0.906 57.358 58.200 0.107 0.000 0.973 227 S CB 0.705 63.962 63.200 0.095 0.000 1.250 227 S HN 0.197 nan 8.310 nan 0.000 0.549 228 I N 0.682 121.195 120.570 -0.095 0.000 2.418 228 I HA 0.321 4.490 4.170 -0.000 0.000 0.287 228 I C -0.798 175.186 176.117 -0.223 0.000 1.008 228 I CA -0.570 60.595 61.300 -0.225 0.000 1.104 228 I CB 0.815 38.632 38.000 -0.306 0.000 1.264 228 I HN 0.520 nan 8.210 nan 0.000 0.438 229 C N 6.031 125.153 119.300 -0.298 0.000 2.373 229 C HA 0.414 4.874 4.460 -0.000 0.000 0.354 229 C C 0.591 175.568 174.990 -0.021 0.000 1.249 229 C CA -0.510 58.433 59.018 -0.126 0.000 1.784 229 C CB -0.896 26.761 27.740 -0.139 0.000 2.408 229 C HN 0.628 nan 8.230 nan 0.000 0.542 230 K N 2.748 123.183 120.400 0.058 0.000 2.270 230 K HA 0.477 4.797 4.320 -0.000 0.000 0.255 230 K C -1.245 175.508 176.600 0.255 0.000 0.936 230 K CA -0.484 55.834 56.287 0.053 0.000 0.809 230 K CB 1.932 34.331 32.500 -0.170 0.000 1.131 230 K HN 0.602 nan 8.250 nan 0.000 0.427 231 Y N 3.092 123.398 120.300 0.010 0.000 2.376 231 Y HA 0.338 4.888 4.550 -0.000 0.000 0.340 231 Y C -2.581 173.227 175.900 -0.153 0.000 0.965 231 Y CA -2.696 55.407 58.100 0.004 0.000 1.078 231 Y CB 1.664 40.105 38.460 -0.031 0.000 1.193 231 Y HN 0.433 nan 8.280 nan 0.000 0.452 232 P HA -0.041 nan 4.420 nan 0.000 0.262 232 P C -0.702 175.907 177.300 -1.152 0.000 1.199 232 P CA 0.517 63.009 63.100 -1.013 0.000 0.763 232 P CB 0.373 31.308 31.700 -1.276 0.000 0.790 233 D N 3.295 123.331 120.400 -0.606 0.000 2.608 233 D HA 0.018 4.658 4.640 -0.000 0.000 0.224 233 D C 0.797 176.895 176.300 -0.337 0.000 1.123 233 D CA -0.012 53.757 54.000 -0.386 0.000 1.030 233 D CB -0.439 40.235 40.800 -0.210 0.000 1.093 233 D HN 0.358 nan 8.370 nan 0.000 0.497 234 Y N 1.303 121.439 120.300 -0.273 0.000 2.014 234 Y HA -0.315 4.235 4.550 -0.000 0.000 0.270 234 Y C 2.375 178.161 175.900 -0.190 0.000 1.145 234 Y CA 0.203 58.116 58.100 -0.312 0.000 1.106 234 Y CB -0.173 38.092 38.460 -0.325 0.000 0.968 234 Y HN 0.259 nan 8.280 nan 0.000 0.484 235 I N 0.682 121.290 120.570 0.063 0.000 2.191 235 I HA -0.410 3.760 4.170 -0.000 0.000 0.248 235 I C 2.241 178.358 176.117 0.000 0.000 1.061 235 I CA 1.817 63.137 61.300 0.034 0.000 1.329 235 I CB -1.239 36.781 38.000 0.033 0.000 1.024 235 I HN 0.336 nan 8.210 nan 0.000 0.423 236 K N 0.043 120.423 120.400 -0.034 0.000 2.137 236 K HA -0.012 4.307 4.320 -0.000 0.000 0.202 236 K C 2.191 178.771 176.600 -0.034 0.000 1.052 236 K CA 0.712 56.977 56.287 -0.037 0.000 0.961 236 K CB 0.098 32.561 32.500 -0.061 0.000 0.741 236 K HN 0.222 nan 8.250 nan 0.000 0.452 237 M N 0.206 119.771 119.600 -0.059 0.000 2.349 237 M HA -0.080 4.400 4.480 -0.000 0.000 0.266 237 M C 1.824 178.111 176.300 -0.022 0.000 1.076 237 M CA 0.775 56.042 55.300 -0.054 0.000 1.126 237 M CB 0.342 32.884 32.600 -0.097 0.000 1.392 237 M HN -0.068 nan 8.290 nan 0.000 0.440 238 V N -0.764 119.136 119.914 -0.023 0.000 2.951 238 V HA -0.077 4.043 4.120 -0.000 0.000 0.255 238 V C 1.824 177.944 176.094 0.043 0.000 1.088 238 V CA 1.275 63.580 62.300 0.007 0.000 1.109 238 V CB -0.120 31.699 31.823 -0.006 0.000 0.724 238 V HN 0.360 nan 8.190 nan 0.000 0.471 239 S N -0.015 115.703 115.700 0.031 0.000 2.607 239 S HA 0.001 4.471 4.470 -0.000 0.000 0.224 239 S C 0.780 175.411 174.600 0.051 0.000 0.969 239 S CA -0.029 58.197 58.200 0.042 0.000 0.927 239 S CB -0.338 62.880 63.200 0.028 0.000 0.772 239 S HN 0.740 nan 8.310 nan 0.000 0.533 240 E N 3.437 123.673 120.200 0.060 0.000 2.366 240 E HA 0.079 4.428 4.350 -0.000 0.000 0.266 240 E C -1.148 175.518 176.600 0.111 0.000 1.015 240 E CA -1.531 54.916 56.400 0.078 0.000 0.906 240 E CB 0.557 30.302 29.700 0.076 0.000 0.979 240 E HN 0.025 nan 8.360 nan 0.000 0.443 241 P HA -0.233 nan 4.420 nan 0.000 0.208 241 P C 0.649 177.976 177.300 0.044 0.000 1.189 241 P CA 1.533 64.643 63.100 0.017 0.000 0.931 241 P CB -0.273 31.386 31.700 -0.068 0.000 0.783 242 Y N 0.034 120.371 120.300 0.062 0.000 2.651 242 Y HA 0.075 4.625 4.550 -0.000 0.000 0.293 242 Y C 1.873 177.923 175.900 0.250 0.000 1.151 242 Y CA 1.097 59.277 58.100 0.133 0.000 1.362 242 Y CB -1.439 37.073 38.460 0.086 0.000 0.973 242 Y HN 0.176 nan 8.280 nan 0.000 0.561 243 G N 0.671 109.670 108.800 0.331 0.000 2.366 243 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.299 243 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.299 243 G C 0.416 175.502 174.900 0.311 0.000 1.020 243 G CA 0.757 46.038 45.100 0.301 0.000 1.026 243 G HN 0.424 nan 8.290 nan 0.000 0.512 244 D N -0.341 120.213 120.400 0.258 0.000 2.301 244 D HA 0.079 4.719 4.640 -0.000 0.000 0.206 244 D C 2.580 178.906 176.300 0.043 0.000 0.979 244 D CA 1.140 55.273 54.000 0.222 0.000 0.874 244 D CB 0.088 41.009 40.800 0.203 0.000 0.968 244 D HN 0.444 nan 8.370 nan 0.000 0.510 245 S N 0.432 116.141 115.700 0.015 0.000 2.344 245 S HA -0.038 4.432 4.470 -0.000 0.000 0.217 245 S C 1.049 175.545 174.600 -0.174 0.000 1.033 245 S CA 0.649 58.812 58.200 -0.061 0.000 1.017 245 S CB -0.389 62.779 63.200 -0.053 0.000 0.941 245 S HN 0.388 nan 8.310 nan 0.000 0.430 246 L N -1.904 119.221 121.223 -0.163 0.000 2.466 246 L HA 0.674 5.014 4.340 -0.000 0.000 0.258 246 L C -0.589 176.253 176.870 -0.047 0.000 0.973 246 L CA -1.079 53.611 54.840 -0.249 0.000 0.826 246 L CB 1.609 43.588 42.059 -0.133 0.000 1.372 246 L HN 0.214 nan 8.230 nan 0.000 0.409 247 F N 0.781 120.844 119.950 0.188 0.000 2.815 247 F HA 0.511 5.038 4.527 -0.000 0.000 0.328 247 F C -0.156 175.806 175.800 0.269 0.000 0.982 247 F CA -0.748 57.373 58.000 0.202 0.000 1.154 247 F CB -0.187 38.918 39.000 0.176 0.000 0.980 247 F HN 0.347 nan 8.300 nan 0.000 0.603 248 F N 2.315 122.627 119.950 0.603 0.000 2.522 248 F HA 0.685 5.212 4.527 -0.000 0.000 0.324 248 F C -1.193 174.739 175.800 0.219 0.000 1.077 248 F CA -2.197 55.985 58.000 0.304 0.000 0.944 248 F CB 1.859 41.007 39.000 0.247 0.000 1.175 248 F HN 0.108 nan 8.300 nan 0.000 0.468 249 Y N 4.773 124.405 120.300 -1.113 0.000 2.452 249 Y HA 0.554 5.104 4.550 -0.000 0.000 0.323 249 Y C -2.725 172.673 175.900 -0.836 0.000 1.244 249 Y CA -1.996 55.619 58.100 -0.808 0.000 1.158 249 Y CB 0.160 38.395 38.460 -0.375 0.000 1.332 249 Y HN 0.598 nan 8.280 nan 0.000 0.456 250 L N 2.507 123.266 121.223 -0.774 0.000 2.464 250 L HA 0.830 5.170 4.340 -0.000 0.000 0.266 250 L C -0.795 175.871 176.870 -0.341 0.000 0.965 250 L CA -1.783 52.649 54.840 -0.679 0.000 0.833 250 L CB 2.027 43.697 42.059 -0.649 0.000 1.296 250 L HN 0.852 nan 8.230 nan 0.000 0.405 251 R N 0.641 121.005 120.500 -0.227 0.000 2.711 251 R HA 0.951 5.291 4.340 -0.000 0.000 0.284 251 R C -0.674 175.594 176.300 -0.054 0.000 0.968 251 R CA -0.939 55.127 56.100 -0.057 0.000 0.924 251 R CB 2.192 32.498 30.300 0.010 0.000 1.162 251 R HN 0.635 nan 8.270 nan 0.000 0.465 252 R N 1.264 121.774 120.500 0.017 0.000 2.797 252 R HA 0.139 4.479 4.340 -0.000 0.000 0.274 252 R C -1.564 174.775 176.300 0.066 0.000 1.652 252 R CA -0.300 55.812 56.100 0.019 0.000 1.175 252 R CB 1.124 31.417 30.300 -0.012 0.000 1.283 252 R HN 0.936 nan 8.270 nan 0.000 0.513 253 E N 2.988 123.237 120.200 0.083 0.000 2.238 253 E HA 0.466 4.816 4.350 -0.000 0.000 0.267 253 E C -1.263 175.379 176.600 0.071 0.000 0.887 253 E CA -1.080 55.376 56.400 0.094 0.000 0.769 253 E CB 2.348 32.129 29.700 0.136 0.000 1.187 253 E HN 0.479 nan 8.360 nan 0.000 0.416 254 Q N 2.658 122.499 119.800 0.069 0.000 2.386 254 Q HA 0.580 4.920 4.340 -0.000 0.000 0.274 254 Q C -1.214 174.837 176.000 0.086 0.000 1.011 254 Q CA -0.983 54.861 55.803 0.069 0.000 0.867 254 Q CB 2.333 31.106 28.738 0.059 0.000 1.409 254 Q HN 0.605 nan 8.270 nan 0.000 0.395 255 M N 3.074 122.737 119.600 0.105 0.000 2.534 255 M HA 0.712 5.192 4.480 -0.000 0.000 0.280 255 M C -2.225 174.204 176.300 0.214 0.000 1.217 255 M CA -0.572 54.797 55.300 0.115 0.000 0.893 255 M CB 2.427 35.050 32.600 0.038 0.000 1.730 255 M HN 0.965 nan 8.290 nan 0.000 0.483 256 F N 1.481 121.411 119.950 -0.033 0.000 2.711 256 F HA 0.737 5.264 4.527 -0.000 0.000 0.313 256 F C -1.204 174.560 175.800 -0.061 0.000 1.141 256 F CA -1.133 56.841 58.000 -0.044 0.000 0.941 256 F CB 0.764 39.737 39.000 -0.044 0.000 1.349 256 F HN 0.328 nan 8.300 nan 0.000 0.464 257 V N 2.104 121.957 119.914 -0.102 0.000 2.377 257 V HA 0.289 4.409 4.120 -0.000 0.000 0.254 257 V C 1.125 176.949 176.094 -0.450 0.000 1.060 257 V CA -0.134 62.031 62.300 -0.226 0.000 1.068 257 V CB 0.062 31.849 31.823 -0.060 0.000 1.113 257 V HN 1.010 nan 8.190 nan 0.000 0.484 258 R N 3.257 123.386 120.500 -0.620 0.000 2.055 258 R HA 0.098 4.438 4.340 -0.000 0.000 0.228 258 R C 0.649 176.653 176.300 -0.493 0.000 1.143 258 R CA 1.592 57.387 56.100 -0.509 0.000 0.945 258 R CB -0.113 29.983 30.300 -0.340 0.000 0.841 258 R HN 0.887 nan 8.270 nan 0.000 0.429 259 H N -2.726 116.103 119.070 -0.402 0.000 2.906 259 H HA 0.544 5.099 4.556 -0.000 0.000 0.337 259 H C -1.468 173.487 175.328 -0.622 0.000 1.257 259 H CA -0.758 54.982 56.048 -0.512 0.000 1.192 259 H CB 1.357 30.629 29.762 -0.817 0.000 1.912 259 H HN -0.078 nan 8.280 nan 0.000 0.573 260 L N 1.505 122.466 121.223 -0.437 0.000 2.356 260 L HA 0.447 4.787 4.340 -0.000 0.000 0.277 260 L C -1.209 175.537 176.870 -0.207 0.000 0.996 260 L CA 0.074 54.714 54.840 -0.333 0.000 0.822 260 L CB 0.838 42.811 42.059 -0.143 0.000 1.256 260 L HN 0.457 nan 8.230 nan 0.000 0.413 261 F N 0.727 120.449 119.950 -0.380 0.000 2.706 261 F HA 0.467 4.994 4.527 -0.000 0.000 0.328 261 F C -0.128 175.482 175.800 -0.317 0.000 1.123 261 F CA -1.173 56.529 58.000 -0.497 0.000 0.978 261 F CB 2.332 40.711 39.000 -1.035 0.000 1.404 261 F HN 0.369 nan 8.300 nan 0.000 0.497 262 N N 0.500 119.226 118.700 0.044 0.000 2.352 262 N HA 0.255 4.994 4.740 -0.000 0.000 0.291 262 N C -1.295 174.334 175.510 0.199 0.000 1.040 262 N CA -0.803 52.305 53.050 0.096 0.000 0.864 262 N CB 1.107 39.596 38.487 0.003 0.000 1.440 262 N HN 0.338 nan 8.380 nan 0.000 0.483 263 R N 2.034 122.687 120.500 0.256 0.000 2.404 263 R HA 0.203 4.543 4.340 -0.000 0.000 0.315 263 R C -0.008 176.316 176.300 0.040 0.000 1.032 263 R CA -0.092 56.114 56.100 0.176 0.000 0.992 263 R CB 0.109 30.454 30.300 0.075 0.000 0.959 263 R HN 0.571 nan 8.270 nan 0.000 0.428 264 A N 1.789 124.621 122.820 0.019 0.000 2.327 264 A HA 0.629 4.949 4.320 -0.000 0.000 0.255 264 A C 0.650 178.215 177.584 -0.032 0.000 1.099 264 A CA 0.566 52.592 52.037 -0.018 0.000 0.801 264 A CB 0.237 19.219 19.000 -0.030 0.000 1.062 264 A HN 0.846 nan 8.150 nan 0.000 0.496 265 G N -1.252 107.527 108.800 -0.035 0.000 2.555 265 G HA2 0.397 4.357 3.960 -0.000 0.000 0.686 265 G HA3 0.397 4.357 3.960 -0.000 0.000 0.686 265 G C -0.095 174.785 174.900 -0.033 0.000 1.275 265 G CA 0.082 45.160 45.100 -0.037 0.000 0.871 265 G HN 2.198 nan 8.290 nan 0.000 0.603 266 T N -1.726 112.809 114.554 -0.031 0.000 2.918 266 T HA 0.520 4.869 4.350 -0.000 0.000 0.302 266 T C 0.821 175.505 174.700 -0.026 0.000 1.045 266 T CA 0.022 62.106 62.100 -0.026 0.000 1.114 266 T CB 1.331 70.186 68.868 -0.022 0.000 0.965 266 T HN 1.597 nan 8.240 nan 0.000 0.540 267 V N 4.063 123.963 119.914 -0.023 0.000 2.540 267 V HA 0.291 4.410 4.120 -0.000 0.000 0.297 267 V C 1.684 177.769 176.094 -0.016 0.000 1.024 267 V CA 0.791 63.078 62.300 -0.021 0.000 1.105 267 V CB 0.246 32.060 31.823 -0.015 0.000 0.938 267 V HN 1.206 nan 8.190 nan 0.000 0.482 268 G N 4.257 113.047 108.800 -0.017 0.000 2.441 268 G HA2 0.102 4.061 3.960 -0.000 0.000 0.212 268 G HA3 0.102 4.061 3.960 -0.000 0.000 0.212 268 G C 0.365 175.262 174.900 -0.006 0.000 1.164 268 G CA 0.050 45.142 45.100 -0.013 0.000 0.811 268 G HN 0.668 nan 8.290 nan 0.000 0.535 269 E N 0.017 120.215 120.200 -0.004 0.000 2.290 269 E HA 0.315 4.665 4.350 -0.000 0.000 0.274 269 E C -1.614 174.992 176.600 0.009 0.000 0.889 269 E CA -0.676 55.727 56.400 0.005 0.000 0.760 269 E CB 1.812 31.515 29.700 0.005 0.000 1.206 269 E HN 0.087 nan 8.360 nan 0.000 0.419 270 N N 0.601 119.314 118.700 0.022 0.000 2.479 270 N HA 0.211 4.951 4.740 -0.000 0.000 0.285 270 N C -0.804 174.742 175.510 0.060 0.000 1.075 270 N CA -0.466 52.606 53.050 0.037 0.000 0.967 270 N CB 1.261 39.778 38.487 0.051 0.000 1.137 270 N HN 0.109 nan 8.380 nan 0.000 0.472 271 V N 3.233 123.182 119.914 0.059 0.000 2.557 271 V HA 0.073 4.193 4.120 -0.000 0.000 0.301 271 V C -1.869 174.359 176.094 0.223 0.000 1.026 271 V CA -0.822 61.535 62.300 0.094 0.000 1.137 271 V CB -0.071 31.745 31.823 -0.012 0.000 0.917 271 V HN 0.622 nan 8.190 nan 0.000 0.484 272 P HA 0.144 nan 4.420 nan 0.000 0.271 272 P C 0.150 177.577 177.300 0.212 0.000 1.220 272 P CA -0.277 62.924 63.100 0.169 0.000 0.768 272 P CB 0.445 32.206 31.700 0.102 0.000 0.848 273 D N 1.129 121.555 120.400 0.043 0.000 2.403 273 D HA -0.161 4.478 4.640 -0.000 0.000 0.227 273 D C 0.469 176.552 176.300 -0.362 0.000 0.995 273 D CA 0.851 54.664 54.000 -0.313 0.000 0.928 273 D CB -0.595 40.059 40.800 -0.243 0.000 0.887 273 D HN 0.401 nan 8.370 nan 0.000 0.529 274 D N 0.056 120.377 120.400 -0.131 0.000 2.369 274 D HA -0.006 4.634 4.640 -0.000 0.000 0.211 274 D C 1.522 177.816 176.300 -0.009 0.000 1.077 274 D CA -0.165 53.780 54.000 -0.091 0.000 0.842 274 D CB -0.064 40.716 40.800 -0.033 0.000 0.947 274 D HN 0.292 nan 8.370 nan 0.000 0.509 275 L N -0.320 120.968 121.223 0.108 0.000 2.592 275 L HA 0.174 4.514 4.340 -0.000 0.000 0.227 275 L C 0.387 177.482 176.870 0.376 0.000 1.127 275 L CA 0.103 55.092 54.840 0.249 0.000 0.884 275 L CB -0.367 41.883 42.059 0.319 0.000 1.065 275 L HN 0.129 nan 8.230 nan 0.000 0.457 276 Y N -2.670 117.648 120.300 0.030 0.000 2.963 276 Y HA 0.630 5.180 4.550 -0.000 0.000 0.322 276 Y C -1.079 174.837 175.900 0.026 0.000 1.553 276 Y CA -1.752 56.367 58.100 0.033 0.000 1.098 276 Y CB 0.901 39.387 38.460 0.043 0.000 2.098 276 Y HN -0.311 nan 8.280 nan 0.000 0.413 277 I N 1.515 122.178 120.570 0.154 0.000 2.730 277 I HA 0.375 4.545 4.170 -0.000 0.000 0.298 277 I C -0.774 175.439 176.117 0.160 0.000 1.089 277 I CA -1.503 59.802 61.300 0.007 0.000 1.041 277 I CB 2.003 40.029 38.000 0.044 0.000 1.235 277 I HN 0.410 nan 8.210 nan 0.000 0.423 278 K N 2.459 122.891 120.400 0.054 0.000 2.440 278 K HA 0.197 4.517 4.320 -0.000 0.000 0.270 278 K C 0.361 177.026 176.600 0.108 0.000 0.980 278 K CA 0.075 56.434 56.287 0.120 0.000 0.953 278 K CB 0.781 33.306 32.500 0.041 0.000 0.925 278 K HN 0.915 nan 8.250 nan 0.000 0.497 279 G N -0.001 108.853 108.800 0.089 0.000 2.641 279 G HA2 0.349 4.309 3.960 -0.000 0.000 0.239 279 G HA3 0.349 4.309 3.960 -0.000 0.000 0.239 279 G C -0.812 174.090 174.900 0.002 0.000 1.402 279 G CA -0.403 44.719 45.100 0.037 0.000 1.046 279 G HN 0.539 nan 8.290 nan 0.000 0.565 280 S N -1.592 114.095 115.700 -0.021 0.000 2.594 280 S HA 0.578 5.048 4.470 -0.000 0.000 0.296 280 S C 0.950 175.519 174.600 -0.051 0.000 1.124 280 S CA 0.572 58.757 58.200 -0.024 0.000 1.011 280 S CB 1.199 64.394 63.200 -0.009 0.000 1.016 280 S HN 2.312 nan 8.310 nan 0.000 0.485 281 G N 4.527 113.296 108.800 -0.051 0.000 2.690 281 G HA2 -0.478 3.482 3.960 -0.000 0.000 0.362 281 G HA3 -0.478 3.482 3.960 -0.000 0.000 0.362 281 G C 1.419 176.249 174.900 -0.117 0.000 1.132 281 G CA 2.642 47.704 45.100 -0.063 0.000 0.922 281 G HN 2.022 nan 8.290 nan 0.000 0.595 282 S N -0.141 115.486 115.700 -0.122 0.000 2.490 282 S HA -0.311 4.159 4.470 -0.000 0.000 0.243 282 S C 2.452 176.772 174.600 -0.466 0.000 1.052 282 S CA 4.150 62.223 58.200 -0.213 0.000 1.254 282 S CB -1.791 61.358 63.200 -0.084 0.000 1.191 282 S HN 2.221 nan 8.310 nan 0.000 0.422 283 T N 0.227 114.579 114.554 -0.337 0.000 3.118 283 T HA 0.183 4.533 4.350 -0.000 0.000 0.269 283 T C 1.289 175.869 174.700 -0.199 0.000 1.166 283 T CA 0.982 62.886 62.100 -0.328 0.000 1.073 283 T CB -0.703 68.145 68.868 -0.033 0.000 0.884 283 T HN 0.689 nan 8.240 nan 0.000 0.550 284 A N 0.599 123.317 122.820 -0.171 0.000 2.307 284 A HA 0.378 4.698 4.320 -0.000 0.000 0.218 284 A C 0.867 178.393 177.584 -0.097 0.000 1.228 284 A CA -0.380 51.603 52.037 -0.090 0.000 0.857 284 A CB -0.172 18.793 19.000 -0.058 0.000 0.897 284 A HN 0.454 nan 8.150 nan 0.000 0.495 285 N N 0.416 119.003 118.700 -0.189 0.000 2.664 285 N HA 0.389 5.129 4.740 -0.000 0.000 0.257 285 N C -1.169 174.232 175.510 -0.183 0.000 1.108 285 N CA -0.504 52.460 53.050 -0.144 0.000 0.822 285 N CB 0.379 38.789 38.487 -0.129 0.000 1.199 285 N HN 0.057 nan 8.380 nan 0.000 0.529 286 L N 1.637 122.807 121.223 -0.089 0.000 2.720 286 L HA -0.005 4.334 4.340 -0.000 0.000 0.289 286 L C 0.926 177.826 176.870 0.050 0.000 1.232 286 L CA 0.561 55.394 54.840 -0.012 0.000 0.915 286 L CB -0.414 41.597 42.059 -0.081 0.000 1.184 286 L HN 0.518 nan 8.230 nan 0.000 0.491 287 A N 3.398 126.345 122.820 0.212 0.000 2.304 287 A HA 0.422 4.741 4.320 -0.000 0.000 0.271 287 A C 0.535 178.106 177.584 -0.021 0.000 1.091 287 A CA -0.304 51.819 52.037 0.144 0.000 0.812 287 A CB 0.378 19.500 19.000 0.203 0.000 1.056 287 A HN 0.700 nan 8.150 nan 0.000 0.489 288 S N 0.144 115.805 115.700 -0.065 0.000 2.673 288 S HA 0.017 4.487 4.470 -0.000 0.000 0.308 288 S C 1.233 175.649 174.600 -0.308 0.000 1.246 288 S CA 0.615 58.730 58.200 -0.141 0.000 1.077 288 S CB 0.097 63.232 63.200 -0.109 0.000 0.814 288 S HN 1.038 nan 8.310 nan 0.000 0.503 289 S N 3.710 119.225 115.700 -0.310 0.000 2.556 289 S HA 0.168 4.638 4.470 -0.000 0.000 0.216 289 S C 0.233 174.470 174.600 -0.606 0.000 0.970 289 S CA -0.461 57.435 58.200 -0.507 0.000 0.912 289 S CB -0.437 62.632 63.200 -0.218 0.000 0.790 289 S HN 0.853 nan 8.310 nan 0.000 0.504 290 N N 2.214 120.712 118.700 -0.336 0.000 2.549 290 N HA 0.164 4.904 4.740 -0.000 0.000 0.267 290 N C -1.142 174.352 175.510 -0.025 0.000 1.182 290 N CA -0.138 52.839 53.050 -0.121 0.000 1.019 290 N CB 0.133 38.605 38.487 -0.025 0.000 1.380 290 N HN 0.359 nan 8.380 nan 0.000 0.505 291 Y N 1.472 121.845 120.300 0.121 0.000 2.392 291 Y HA 0.550 5.100 4.550 -0.000 0.000 0.323 291 Y C 0.130 176.187 175.900 0.261 0.000 1.291 291 Y CA -1.157 57.026 58.100 0.139 0.000 1.345 291 Y CB 0.684 39.175 38.460 0.052 0.000 1.320 291 Y HN 0.311 nan 8.280 nan 0.000 0.518 292 F N 0.181 120.288 119.950 0.262 0.000 2.650 292 F HA 0.826 5.353 4.527 -0.000 0.000 0.310 292 F C -3.692 172.216 175.800 0.181 0.000 1.112 292 F CA -2.584 55.542 58.000 0.209 0.000 0.986 292 F CB 1.948 41.053 39.000 0.175 0.000 1.285 292 F HN 0.163 nan 8.300 nan 0.000 0.440 293 P HA 0.448 nan 4.420 nan 0.000 0.298 293 P C -1.391 175.991 177.300 0.136 0.000 1.341 293 P CA -0.559 62.513 63.100 -0.047 0.000 1.032 293 P CB 2.433 34.098 31.700 -0.060 0.000 1.386 294 T N -0.977 113.518 114.554 -0.099 0.000 2.837 294 T HA 0.590 4.940 4.350 -0.000 0.000 0.285 294 T C -2.286 172.288 174.700 -0.210 0.000 0.984 294 T CA -2.044 60.036 62.100 -0.033 0.000 1.049 294 T CB 0.979 69.801 68.868 -0.076 0.000 0.947 294 T HN 0.299 nan 8.240 nan 0.000 0.472 295 P HA 0.492 nan 4.420 nan 0.000 0.285 295 P C -0.980 176.131 177.300 -0.315 0.000 1.285 295 P CA -0.855 62.060 63.100 -0.307 0.000 0.854 295 P CB 1.741 33.271 31.700 -0.283 0.000 1.180 296 S N 0.052 115.519 115.700 -0.388 0.000 2.571 296 S HA 0.485 4.955 4.470 -0.000 0.000 0.238 296 S C -0.084 174.483 174.600 -0.054 0.000 1.153 296 S CA -0.622 57.375 58.200 -0.338 0.000 1.141 296 S CB -0.670 62.137 63.200 -0.654 0.000 1.133 296 S HN 0.637 nan 8.310 nan 0.000 0.464 297 G N 3.282 112.097 108.800 0.024 0.000 2.298 297 G HA2 0.339 4.299 3.960 -0.000 0.000 0.263 297 G HA3 0.339 4.299 3.960 -0.000 0.000 0.263 297 G C 0.538 175.517 174.900 0.133 0.000 1.229 297 G CA 0.287 45.443 45.100 0.093 0.000 0.976 297 G HN 0.888 nan 8.290 nan 0.000 0.459 298 S N 3.489 119.309 115.700 0.199 0.000 2.634 298 S HA 0.175 4.645 4.470 -0.000 0.000 0.254 298 S C 1.141 175.798 174.600 0.094 0.000 1.299 298 S CA -0.627 57.682 58.200 0.181 0.000 0.974 298 S CB 0.264 63.536 63.200 0.120 0.000 1.001 298 S HN 0.671 nan 8.310 nan 0.000 0.584 299 M N 2.949 122.587 119.600 0.064 0.000 2.336 299 M HA 0.091 4.571 4.480 -0.000 0.000 0.371 299 M C -0.257 176.064 176.300 0.035 0.000 1.542 299 M CA -0.222 55.102 55.300 0.040 0.000 0.959 299 M CB -0.182 32.432 32.600 0.023 0.000 2.033 299 M HN 0.602 nan 8.290 nan 0.000 0.472 300 V N 3.487 123.423 119.914 0.036 0.000 2.715 300 V HA 0.560 4.679 4.120 -0.000 0.000 0.299 300 V C 0.001 176.110 176.094 0.026 0.000 1.054 300 V CA -0.351 61.970 62.300 0.034 0.000 1.077 300 V CB 1.160 33.004 31.823 0.036 0.000 0.972 300 V HN 0.918 nan 8.190 nan 0.000 0.484 301 T N 1.966 116.535 114.554 0.025 0.000 2.912 301 T HA 0.394 4.744 4.350 -0.000 0.000 0.299 301 T C 0.842 175.551 174.700 0.016 0.000 1.052 301 T CA 0.205 62.315 62.100 0.016 0.000 0.996 301 T CB 1.963 70.836 68.868 0.009 0.000 1.070 301 T HN 1.130 nan 8.240 nan 0.000 0.465 302 S N 2.353 118.060 115.700 0.011 0.000 2.402 302 S HA -0.049 4.421 4.470 -0.000 0.000 0.229 302 S C 0.977 175.581 174.600 0.005 0.000 1.021 302 S CA 1.566 59.773 58.200 0.010 0.000 0.974 302 S CB -0.525 62.678 63.200 0.005 0.000 0.800 302 S HN 0.793 nan 8.310 nan 0.000 0.484 303 D N 1.059 121.459 120.400 0.000 0.000 2.355 303 D HA 0.308 4.948 4.640 -0.000 0.000 0.253 303 D C 0.716 177.011 176.300 -0.008 0.000 1.187 303 D CA 0.683 54.679 54.000 -0.006 0.000 0.900 303 D CB 0.122 40.917 40.800 -0.008 0.000 0.915 303 D HN 0.431 nan 8.370 nan 0.000 0.516 304 A N -0.295 122.524 122.820 -0.002 0.000 2.671 304 A HA 0.062 4.382 4.320 -0.000 0.000 0.265 304 A C 0.453 178.034 177.584 -0.005 0.000 1.148 304 A CA -0.391 51.642 52.037 -0.007 0.000 0.977 304 A CB 0.345 19.344 19.000 -0.000 0.000 1.242 304 A HN -0.086 nan 8.150 nan 0.000 0.591 305 Q N 0.457 120.263 119.800 0.008 0.000 2.304 305 Q HA 0.005 4.345 4.340 -0.000 0.000 0.315 305 Q C 0.884 176.845 176.000 -0.065 0.000 1.075 305 Q CA 0.265 56.079 55.803 0.019 0.000 0.988 305 Q CB 0.457 29.221 28.738 0.043 0.000 1.146 305 Q HN 0.407 nan 8.270 nan 0.000 0.383 306 I N 1.681 122.137 120.570 -0.191 0.000 2.731 306 I HA 0.020 4.190 4.170 -0.000 0.000 0.260 306 I C 0.818 176.652 176.117 -0.471 0.000 1.138 306 I CA 0.490 61.527 61.300 -0.438 0.000 1.461 306 I CB -0.553 36.944 38.000 -0.839 0.000 1.128 306 I HN 0.361 nan 8.210 nan 0.000 0.438 307 F N 1.022 121.014 119.950 0.071 0.000 2.368 307 F HA 0.289 4.816 4.527 -0.000 0.000 0.315 307 F C 1.539 177.305 175.800 -0.057 0.000 1.145 307 F CA -0.342 57.681 58.000 0.038 0.000 1.095 307 F CB -0.051 38.943 39.000 -0.011 0.000 1.286 307 F HN -0.042 nan 8.300 nan 0.000 0.530 308 N N -0.585 118.132 118.700 0.028 0.000 2.863 308 N HA -0.250 4.490 4.740 -0.000 0.000 0.245 308 N C -0.505 174.914 175.510 -0.153 0.000 1.001 308 N CA 0.893 53.894 53.050 -0.080 0.000 0.901 308 N CB -0.798 37.668 38.487 -0.034 0.000 1.124 308 N HN 0.576 nan 8.380 nan 0.000 0.582 309 K N 0.560 120.841 120.400 -0.198 0.000 2.138 309 K HA 0.451 4.771 4.320 -0.000 0.000 0.263 309 K C -2.657 173.568 176.600 -0.625 0.000 0.965 309 K CA -2.021 54.110 56.287 -0.261 0.000 0.868 309 K CB 1.491 33.934 32.500 -0.094 0.000 1.083 309 K HN -0.143 nan 8.250 nan 0.000 0.443 310 P HA 0.130 nan 4.420 nan 0.000 0.293 310 P C -1.484 175.215 177.300 -1.002 0.000 1.300 310 P CA -0.141 62.337 63.100 -1.037 0.000 0.792 310 P CB 0.236 31.322 31.700 -1.023 0.000 0.925 311 Y N 1.536 121.377 120.300 -0.765 0.000 2.454 311 Y HA 0.283 4.833 4.550 -0.000 0.000 0.345 311 Y C 0.390 175.780 175.900 -0.850 0.000 0.970 311 Y CA -1.064 56.569 58.100 -0.778 0.000 1.204 311 Y CB 0.484 38.450 38.460 -0.824 0.000 1.122 311 Y HN 0.319 nan 8.280 nan 0.000 0.514 312 W N 5.143 126.295 121.300 -0.246 0.000 2.446 312 W HA 0.238 4.898 4.660 -0.000 0.000 0.316 312 W C 0.091 176.417 176.519 -0.321 0.000 1.376 312 W CA -0.770 56.423 57.345 -0.254 0.000 1.300 312 W CB 0.555 29.934 29.460 -0.134 0.000 1.351 312 W HN 0.551 nan 8.180 nan 0.000 0.530 313 L N 4.643 125.817 121.223 -0.081 0.000 2.715 313 L HA -0.022 4.318 4.340 -0.000 0.000 0.238 313 L C 2.148 178.946 176.870 -0.119 0.000 1.212 313 L CA -0.005 54.719 54.840 -0.194 0.000 1.017 313 L CB -0.770 41.117 42.059 -0.288 0.000 1.269 313 L HN 0.617 nan 8.230 nan 0.000 0.452 314 Q N 0.283 120.058 119.800 -0.041 0.000 2.135 314 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 314 Q C 1.241 177.212 176.000 -0.049 0.000 0.981 314 Q CA 1.160 56.938 55.803 -0.041 0.000 0.856 314 Q CB 0.047 28.768 28.738 -0.028 0.000 0.902 314 Q HN 0.483 nan 8.270 nan 0.000 0.425 315 R N -0.708 119.770 120.500 -0.036 0.000 3.045 315 R HA 0.797 5.137 4.340 -0.000 0.000 0.245 315 R C -1.808 174.483 176.300 -0.015 0.000 1.333 315 R CA -0.178 55.905 56.100 -0.029 0.000 1.036 315 R CB 2.272 32.569 30.300 -0.006 0.000 1.340 315 R HN 0.202 nan 8.270 nan 0.000 0.488 316 A N 0.516 123.345 122.820 0.015 0.000 2.581 316 A HA 0.138 4.458 4.320 -0.000 0.000 0.309 316 A C -0.785 176.842 177.584 0.072 0.000 1.022 316 A CA -0.677 51.405 52.037 0.075 0.000 0.833 316 A CB 0.993 20.038 19.000 0.076 0.000 1.208 316 A HN 0.692 nan 8.150 nan 0.000 0.388 317 Q N 1.185 121.043 119.800 0.096 0.000 2.437 317 Q HA 0.264 4.604 4.340 -0.000 0.000 0.210 317 Q C 0.907 176.938 176.000 0.052 0.000 0.972 317 Q CA 1.436 57.275 55.803 0.060 0.000 0.903 317 Q CB -0.348 28.439 28.738 0.081 0.000 0.967 317 Q HN 1.303 nan 8.270 nan 0.000 0.486 318 G N -1.026 107.849 108.800 0.125 0.000 2.528 318 G HA2 0.279 4.239 3.960 -0.000 0.000 0.289 318 G HA3 0.279 4.239 3.960 -0.000 0.000 0.289 318 G C -0.563 174.415 174.900 0.129 0.000 1.192 318 G CA -0.437 44.759 45.100 0.160 0.000 0.921 318 G HN 0.265 nan 8.290 nan 0.000 0.512 319 H N -0.506 118.696 119.070 0.220 0.000 2.307 319 H HA -0.019 4.537 4.556 -0.000 0.000 0.303 319 H C 1.624 177.124 175.328 0.286 0.000 1.073 319 H CA 1.249 57.442 56.048 0.243 0.000 1.338 319 H CB 0.132 30.054 29.762 0.266 0.000 1.389 319 H HN 0.416 nan 8.280 nan 0.000 0.503 320 N N 0.736 119.733 118.700 0.494 0.000 2.415 320 N HA -0.088 4.652 4.740 -0.000 0.000 0.248 320 N C -0.034 175.626 175.510 0.250 0.000 1.271 320 N CA 0.426 53.729 53.050 0.421 0.000 0.913 320 N CB 0.685 39.498 38.487 0.542 0.000 1.129 320 N HN 0.283 nan 8.380 nan 0.000 0.444 321 N N -0.156 118.558 118.700 0.022 0.000 2.193 321 N HA 0.254 4.994 4.740 -0.000 0.000 0.236 321 N C -0.209 175.053 175.510 -0.413 0.000 1.347 321 N CA 0.398 53.346 53.050 -0.171 0.000 0.812 321 N CB 0.319 38.748 38.487 -0.096 0.000 1.297 321 N HN 0.688 nan 8.380 nan 0.000 0.499 322 G N 0.091 108.591 108.800 -0.500 0.000 2.507 322 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.205 322 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.205 322 G C -0.757 174.015 174.900 -0.214 0.000 0.996 322 G CA -0.443 44.373 45.100 -0.474 0.000 0.776 322 G HN 0.091 nan 8.290 nan 0.000 0.532 323 I N 2.318 122.706 120.570 -0.303 0.000 2.269 323 I HA 0.259 4.429 4.170 -0.000 0.000 0.293 323 I C 1.034 176.851 176.117 -0.500 0.000 1.106 323 I CA -1.592 59.339 61.300 -0.615 0.000 1.248 323 I CB -0.237 36.883 38.000 -1.466 0.000 1.444 323 I HN 0.133 nan 8.210 nan 0.000 0.497 324 C N 5.845 125.062 119.300 -0.140 0.000 3.849 324 C HA -0.020 4.440 4.460 -0.000 0.000 0.555 324 C C 0.780 175.780 174.990 0.016 0.000 1.046 324 C CA -1.063 57.961 59.018 0.010 0.000 1.071 324 C CB -2.539 25.282 27.740 0.135 0.000 1.363 324 C HN 0.597 nan 8.230 nan 0.000 0.633 325 W N 0.705 122.049 121.300 0.073 0.000 2.513 325 W HA 0.304 4.964 4.660 -0.000 0.000 0.339 325 W C 1.379 177.837 176.519 -0.101 0.000 1.257 325 W CA 1.064 58.387 57.345 -0.038 0.000 1.280 325 W CB -0.001 29.427 29.460 -0.053 0.000 1.214 325 W HN 0.883 nan 8.180 nan 0.000 0.567 326 G N 2.290 111.149 108.800 0.098 0.000 2.199 326 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.254 326 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.254 326 G C 0.436 175.345 174.900 0.015 0.000 0.982 326 G CA 0.060 45.162 45.100 0.004 0.000 0.632 326 G HN 0.748 nan 8.290 nan 0.000 0.529 327 N N -0.491 118.238 118.700 0.049 0.000 2.815 327 N HA -0.141 4.599 4.740 -0.000 0.000 0.249 327 N C -0.031 175.439 175.510 -0.067 0.000 1.114 327 N CA 1.888 54.946 53.050 0.014 0.000 0.717 327 N CB -1.219 37.276 38.487 0.013 0.000 1.074 327 N HN 0.890 nan 8.380 nan 0.000 0.555 328 Q N -0.040 119.708 119.800 -0.087 0.000 2.347 328 Q HA 0.678 5.018 4.340 -0.000 0.000 0.271 328 Q C -0.713 175.151 176.000 -0.227 0.000 1.064 328 Q CA -0.494 55.178 55.803 -0.217 0.000 0.800 328 Q CB 2.691 31.245 28.738 -0.308 0.000 1.304 328 Q HN 0.196 nan 8.270 nan 0.000 0.438 329 L N 2.604 123.660 121.223 -0.278 0.000 2.408 329 L HA 0.559 4.899 4.340 -0.000 0.000 0.268 329 L C -1.475 175.368 176.870 -0.045 0.000 0.986 329 L CA -0.597 54.179 54.840 -0.107 0.000 0.820 329 L CB 1.709 43.776 42.059 0.013 0.000 1.303 329 L HN 0.678 nan 8.230 nan 0.000 0.411 330 F N 3.999 123.929 119.950 -0.033 0.000 2.359 330 F HA 0.310 4.837 4.527 -0.000 0.000 0.369 330 F C -0.080 175.741 175.800 0.036 0.000 1.084 330 F CA -0.947 57.012 58.000 -0.069 0.000 1.096 330 F CB 1.804 40.685 39.000 -0.197 0.000 1.335 330 F HN 0.068 nan 8.300 nan 0.000 0.457 331 V N 3.270 123.373 119.914 0.315 0.000 2.304 331 V HA 0.087 4.207 4.120 -0.000 0.000 0.262 331 V C 0.074 176.335 176.094 0.278 0.000 1.061 331 V CA -0.332 62.135 62.300 0.280 0.000 0.872 331 V CB 0.779 32.755 31.823 0.256 0.000 1.077 331 V HN 0.624 nan 8.190 nan 0.000 0.480 332 T N 4.250 118.921 114.554 0.194 0.000 2.782 332 T HA 0.412 4.762 4.350 -0.000 0.000 0.298 332 T C 0.016 174.878 174.700 0.269 0.000 0.944 332 T CA -0.310 61.918 62.100 0.213 0.000 1.001 332 T CB 0.680 69.637 68.868 0.148 0.000 0.932 332 T HN 0.250 nan 8.240 nan 0.000 0.524 333 V N 3.761 123.861 119.914 0.309 0.000 2.644 333 V HA 0.517 4.637 4.120 -0.000 0.000 0.295 333 V C 0.106 176.303 176.094 0.171 0.000 1.053 333 V CA -0.700 61.772 62.300 0.287 0.000 0.987 333 V CB 1.816 33.828 31.823 0.315 0.000 1.006 333 V HN 0.653 nan 8.190 nan 0.000 0.472 334 V N 2.984 122.963 119.914 0.108 0.000 2.524 334 V HA 0.436 4.556 4.120 -0.000 0.000 0.297 334 V C -1.242 174.857 176.094 0.009 0.000 1.035 334 V CA -0.433 61.845 62.300 -0.036 0.000 0.867 334 V CB 1.903 33.592 31.823 -0.224 0.000 1.004 334 V HN 0.989 nan 8.190 nan 0.000 0.426 335 D N 2.600 122.967 120.400 -0.055 0.000 2.505 335 D HA 0.423 5.063 4.640 -0.000 0.000 0.250 335 D C 0.905 177.203 176.300 -0.002 0.000 1.164 335 D CA 0.199 54.150 54.000 -0.081 0.000 0.870 335 D CB 2.282 42.865 40.800 -0.362 0.000 1.160 335 D HN 0.592 nan 8.370 nan 0.000 0.549 336 T N -0.800 113.779 114.554 0.042 0.000 3.040 336 T HA -0.054 4.296 4.350 -0.000 0.000 0.252 336 T C 1.525 176.256 174.700 0.051 0.000 1.064 336 T CA 0.858 62.989 62.100 0.051 0.000 1.110 336 T CB -0.343 68.560 68.868 0.059 0.000 0.921 336 T HN 0.315 nan 8.240 nan 0.000 0.480 337 T N 1.524 116.109 114.554 0.051 0.000 3.118 337 T HA 0.025 4.375 4.350 -0.000 0.000 0.269 337 T C 0.794 175.515 174.700 0.035 0.000 1.166 337 T CA 0.289 62.418 62.100 0.048 0.000 1.073 337 T CB -0.576 68.328 68.868 0.060 0.000 0.884 337 T HN 0.637 nan 8.240 nan 0.000 0.550 338 R N 0.496 121.018 120.500 0.036 0.000 2.627 338 R HA 0.315 4.655 4.340 -0.000 0.000 0.251 338 R C 0.491 176.868 176.300 0.129 0.000 1.524 338 R CA -0.131 55.997 56.100 0.047 0.000 1.606 338 R CB 0.232 30.534 30.300 0.004 0.000 1.396 338 R HN 0.277 nan 8.270 nan 0.000 0.724 339 S N -1.322 114.436 115.700 0.097 0.000 2.575 339 S HA -0.007 4.463 4.470 -0.000 0.000 0.215 339 S C 0.752 175.231 174.600 -0.201 0.000 0.966 339 S CA -0.358 57.864 58.200 0.037 0.000 0.911 339 S CB 0.184 63.373 63.200 -0.018 0.000 0.780 339 S HN 0.264 nan 8.310 nan 0.000 0.514 340 T N 5.082 119.604 114.554 -0.052 0.000 2.738 340 T HA 0.095 4.445 4.350 -0.000 0.000 0.277 340 T C -0.236 174.371 174.700 -0.154 0.000 0.981 340 T CA 0.044 62.097 62.100 -0.078 0.000 1.211 340 T CB -0.625 68.243 68.868 0.000 0.000 0.932 340 T HN 0.594 nan 8.240 nan 0.000 0.522 341 N N 3.691 122.244 118.700 -0.245 0.000 2.424 341 N HA 0.470 5.210 4.740 -0.000 0.000 0.271 341 N C 0.028 175.490 175.510 -0.080 0.000 0.985 341 N CA -0.913 52.006 53.050 -0.219 0.000 0.921 341 N CB 0.877 39.175 38.487 -0.314 0.000 1.149 341 N HN 0.561 nan 8.380 nan 0.000 0.492 342 M N -0.429 119.165 119.600 -0.011 0.000 2.342 342 M HA 0.569 5.049 4.480 -0.000 0.000 0.332 342 M C -0.495 175.818 176.300 0.023 0.000 1.166 342 M CA -0.663 54.646 55.300 0.014 0.000 1.086 342 M CB 1.231 33.852 32.600 0.035 0.000 1.541 342 M HN 0.493 nan 8.290 nan 0.000 0.462 343 S N 3.051 118.774 115.700 0.038 0.000 2.537 343 S HA 0.871 5.340 4.470 -0.000 0.000 0.301 343 S C -0.615 174.039 174.600 0.090 0.000 1.092 343 S CA -0.991 57.249 58.200 0.066 0.000 1.048 343 S CB 1.611 64.846 63.200 0.059 0.000 1.053 343 S HN 0.793 nan 8.310 nan 0.000 0.501 344 L N -0.485 120.823 121.223 0.141 0.000 2.409 344 L HA 0.970 5.310 4.340 -0.000 0.000 0.262 344 L C -0.841 176.180 176.870 0.250 0.000 0.992 344 L CA -0.961 53.971 54.840 0.153 0.000 0.817 344 L CB 1.556 43.676 42.059 0.102 0.000 1.350 344 L HN 1.009 nan 8.230 nan 0.000 0.411 345 C N 0.384 119.824 119.300 0.233 0.000 2.701 345 C HA 0.976 5.436 4.460 -0.000 0.000 0.336 345 C C 0.183 175.347 174.990 0.290 0.000 1.123 345 C CA -0.456 58.752 59.018 0.318 0.000 1.326 345 C CB 0.629 28.528 27.740 0.265 0.000 1.833 345 C HN 1.280 nan 8.230 nan 0.000 0.473 346 A N 2.460 125.461 122.820 0.301 0.000 2.312 346 A HA 0.896 5.216 4.320 -0.000 0.000 0.326 346 A C 0.483 178.132 177.584 0.109 0.000 1.172 346 A CA 0.234 52.381 52.037 0.184 0.000 0.821 346 A CB 0.663 19.729 19.000 0.110 0.000 1.166 346 A HN 2.301 nan 8.150 nan 0.000 0.493 347 A N 0.886 123.681 122.820 -0.041 0.000 2.346 347 A HA 0.446 4.766 4.320 -0.000 0.000 0.252 347 A C 0.865 178.306 177.584 -0.237 0.000 1.089 347 A CA 0.085 51.890 52.037 -0.386 0.000 0.797 347 A CB -0.012 18.724 19.000 -0.441 0.000 1.047 347 A HN 1.320 nan 8.150 nan 0.000 0.494 348 I N -0.240 120.149 120.570 -0.302 0.000 3.228 348 I HA 0.112 4.282 4.170 -0.000 0.000 0.279 348 I C 0.442 176.473 176.117 -0.144 0.000 1.221 348 I CA 1.408 62.611 61.300 -0.160 0.000 1.458 348 I CB 0.057 37.971 38.000 -0.142 0.000 1.105 348 I HN 0.686 nan 8.210 nan 0.000 0.445 349 S N -2.013 113.567 115.700 -0.199 0.000 2.560 349 S HA 0.193 4.663 4.470 -0.000 0.000 0.283 349 S C 0.338 174.852 174.600 -0.144 0.000 1.141 349 S CA -0.146 57.974 58.200 -0.132 0.000 0.902 349 S CB 0.399 63.544 63.200 -0.093 0.000 1.104 349 S HN 0.175 nan 8.310 nan 0.000 0.454 350 T N -0.493 114.007 114.554 -0.090 0.000 3.284 350 T HA 0.124 4.474 4.350 -0.000 0.000 0.252 350 T C 1.452 176.129 174.700 -0.040 0.000 1.144 350 T CA 0.709 62.772 62.100 -0.061 0.000 1.021 350 T CB -0.580 68.271 68.868 -0.028 0.000 0.984 350 T HN 0.489 nan 8.240 nan 0.000 0.545 351 S N 1.648 117.319 115.700 -0.049 0.000 2.426 351 S HA -0.087 4.383 4.470 -0.000 0.000 0.220 351 S C 0.728 175.319 174.600 -0.015 0.000 1.040 351 S CA 0.864 59.046 58.200 -0.029 0.000 1.094 351 S CB -0.547 62.633 63.200 -0.034 0.000 1.072 351 S HN 0.630 nan 8.310 nan 0.000 0.415 352 E N 0.971 121.157 120.200 -0.024 0.000 3.225 352 E HA -0.112 4.238 4.350 -0.000 0.000 0.289 352 E C 0.934 177.553 176.600 0.031 0.000 0.885 352 E CA 1.119 57.519 56.400 -0.000 0.000 0.986 352 E CB 0.157 29.850 29.700 -0.011 0.000 0.971 352 E HN 0.620 nan 8.360 nan 0.000 0.508 353 T N -2.072 112.506 114.554 0.040 0.000 3.004 353 T HA 0.159 4.509 4.350 -0.000 0.000 0.266 353 T C 0.390 175.132 174.700 0.069 0.000 0.986 353 T CA 0.120 62.251 62.100 0.051 0.000 0.902 353 T CB 0.158 69.048 68.868 0.037 0.000 1.118 353 T HN 0.457 nan 8.240 nan 0.000 0.522 354 T N -0.432 114.166 114.554 0.074 0.000 2.924 354 T HA 0.639 4.989 4.350 -0.000 0.000 0.291 354 T C -0.747 174.038 174.700 0.142 0.000 1.045 354 T CA -0.979 61.184 62.100 0.105 0.000 1.015 354 T CB 1.824 70.743 68.868 0.086 0.000 1.103 354 T HN 0.213 nan 8.240 nan 0.000 0.496 355 Y N 1.218 121.562 120.300 0.073 0.000 2.330 355 Y HA 0.497 5.047 4.550 -0.000 0.000 0.341 355 Y C 0.192 176.157 175.900 0.108 0.000 1.278 355 Y CA 0.058 58.214 58.100 0.094 0.000 1.453 355 Y CB 0.618 39.080 38.460 0.003 0.000 1.342 355 Y HN 0.688 nan 8.280 nan 0.000 0.590 356 K N 4.349 124.348 120.400 -0.668 0.000 2.670 356 K HA 0.035 4.355 4.320 -0.000 0.000 0.274 356 K C -0.202 176.179 176.600 -0.365 0.000 1.068 356 K CA -0.484 55.653 56.287 -0.249 0.000 0.967 356 K CB 1.148 33.594 32.500 -0.090 0.000 1.297 356 K HN 0.757 nan 8.250 nan 0.000 0.477 357 N N 0.532 119.175 118.700 -0.094 0.000 2.111 357 N HA -0.181 4.559 4.740 -0.000 0.000 0.197 357 N C 0.989 176.511 175.510 0.019 0.000 1.011 357 N CA 2.337 55.414 53.050 0.044 0.000 0.880 357 N CB 0.092 38.670 38.487 0.151 0.000 1.031 357 N HN 0.608 nan 8.380 nan 0.000 0.444 358 T N -2.914 111.640 114.554 -0.000 0.000 3.312 358 T HA 0.190 4.540 4.350 -0.000 0.000 0.251 358 T C 0.724 175.402 174.700 -0.036 0.000 1.012 358 T CA -0.267 61.830 62.100 -0.004 0.000 0.925 358 T CB -0.188 68.674 68.868 -0.010 0.000 1.049 358 T HN 0.110 nan 8.240 nan 0.000 0.583 359 N N 0.345 119.022 118.700 -0.040 0.000 2.184 359 N HA 0.257 4.997 4.740 -0.000 0.000 0.206 359 N C -1.055 174.253 175.510 -0.337 0.000 1.151 359 N CA -0.614 52.325 53.050 -0.185 0.000 0.878 359 N CB 0.290 38.649 38.487 -0.214 0.000 1.014 359 N HN 0.346 nan 8.380 nan 0.000 0.512 360 F N 0.217 120.099 119.950 -0.113 0.000 2.578 360 F HA 0.454 4.981 4.527 -0.000 0.000 0.311 360 F C 0.018 175.797 175.800 -0.035 0.000 1.094 360 F CA -0.936 57.032 58.000 -0.054 0.000 0.923 360 F CB 1.831 40.801 39.000 -0.051 0.000 1.230 360 F HN -0.366 nan 8.300 nan 0.000 0.450 361 K N 2.400 122.877 120.400 0.127 0.000 2.213 361 K HA 0.356 4.675 4.320 -0.000 0.000 0.270 361 K C -0.781 175.775 176.600 -0.073 0.000 1.002 361 K CA -0.606 55.664 56.287 -0.027 0.000 0.868 361 K CB 1.085 33.599 32.500 0.022 0.000 1.093 361 K HN 0.538 nan 8.250 nan 0.000 0.454 362 E N 3.023 123.088 120.200 -0.224 0.000 2.166 362 E HA 0.258 4.608 4.350 -0.000 0.000 0.275 362 E C -0.999 175.475 176.600 -0.210 0.000 0.941 362 E CA -0.472 55.873 56.400 -0.091 0.000 0.784 362 E CB 1.383 31.076 29.700 -0.011 0.000 1.115 362 E HN 0.400 nan 8.360 nan 0.000 0.399 363 Y N 0.540 120.896 120.300 0.093 0.000 2.665 363 Y HA 0.528 5.078 4.550 -0.000 0.000 0.336 363 Y C -0.112 175.824 175.900 0.060 0.000 1.085 363 Y CA -0.980 57.183 58.100 0.104 0.000 1.096 363 Y CB 1.657 40.180 38.460 0.105 0.000 1.301 363 Y HN 0.244 nan 8.280 nan 0.000 0.493 364 L N 2.757 124.092 121.223 0.188 0.000 2.406 364 L HA 0.606 4.946 4.340 -0.000 0.000 0.272 364 L C -0.889 175.892 176.870 -0.148 0.000 0.980 364 L CA -0.755 54.068 54.840 -0.028 0.000 0.831 364 L CB 1.492 43.441 42.059 -0.184 0.000 1.253 364 L HN 0.548 nan 8.230 nan 0.000 0.406 365 R N 1.327 121.798 120.500 -0.050 0.000 2.795 365 R HA 0.516 4.856 4.340 -0.000 0.000 0.275 365 R C -1.300 175.034 176.300 0.056 0.000 0.981 365 R CA -0.807 55.288 56.100 -0.007 0.000 0.917 365 R CB 2.676 32.999 30.300 0.039 0.000 1.202 365 R HN 0.641 nan 8.270 nan 0.000 0.469 366 H N -0.537 118.500 119.070 -0.055 0.000 2.600 366 H HA 0.569 5.125 4.556 -0.000 0.000 0.357 366 H C -0.542 174.788 175.328 0.003 0.000 1.106 366 H CA -0.736 55.293 56.048 -0.032 0.000 1.193 366 H CB 2.124 31.856 29.762 -0.051 0.000 1.594 366 H HN 0.769 nan 8.280 nan 0.000 0.526 367 G N 1.986 110.784 108.800 -0.003 0.000 2.552 367 G HA2 0.415 4.375 3.960 -0.000 0.000 0.324 367 G HA3 0.415 4.375 3.960 -0.000 0.000 0.324 367 G C -1.094 173.648 174.900 -0.263 0.000 1.217 367 G CA -0.545 44.486 45.100 -0.116 0.000 0.989 367 G HN 0.636 nan 8.290 nan 0.000 0.490 368 E N 0.057 120.200 120.200 -0.095 0.000 2.404 368 E HA 0.098 4.448 4.350 -0.000 0.000 0.298 368 E C -1.445 175.211 176.600 0.093 0.000 0.908 368 E CA -0.354 56.022 56.400 -0.040 0.000 0.808 368 E CB 2.302 32.020 29.700 0.031 0.000 1.380 368 E HN 0.679 nan 8.360 nan 0.000 0.392 369 E N 3.762 123.956 120.200 -0.009 0.000 2.081 369 E HA 0.309 4.659 4.350 -0.000 0.000 0.276 369 E C -1.172 175.391 176.600 -0.062 0.000 0.950 369 E CA -0.320 56.097 56.400 0.029 0.000 0.776 369 E CB 0.641 30.337 29.700 -0.007 0.000 1.094 369 E HN 0.278 nan 8.360 nan 0.000 0.402 370 Y N 2.362 122.672 120.300 0.016 0.000 2.596 370 Y HA 0.428 4.978 4.550 -0.000 0.000 0.326 370 Y C -0.253 175.600 175.900 -0.078 0.000 1.167 370 Y CA -0.773 57.288 58.100 -0.065 0.000 1.246 370 Y CB 1.750 40.149 38.460 -0.103 0.000 1.347 370 Y HN 0.565 nan 8.280 nan 0.000 0.515 371 D N 0.645 121.068 120.400 0.039 0.000 2.362 371 D HA 0.234 4.874 4.640 -0.000 0.000 0.228 371 D C -1.881 174.349 176.300 -0.117 0.000 1.326 371 D CA -0.117 53.866 54.000 -0.028 0.000 0.927 371 D CB 0.193 40.976 40.800 -0.029 0.000 1.501 371 D HN 0.380 nan 8.370 nan 0.000 0.519 372 L N 2.508 123.640 121.223 -0.152 0.000 2.371 372 L HA 0.460 4.800 4.340 -0.000 0.000 0.272 372 L C 0.284 177.023 176.870 -0.218 0.000 1.124 372 L CA -0.522 54.170 54.840 -0.247 0.000 0.816 372 L CB 1.153 43.133 42.059 -0.132 0.000 1.129 372 L HN 0.351 nan 8.230 nan 0.000 0.448 373 Q N 3.295 122.787 119.800 -0.514 0.000 2.342 373 Q HA 0.632 4.972 4.340 -0.000 0.000 0.267 373 Q C -1.229 174.286 176.000 -0.808 0.000 1.038 373 Q CA -0.430 55.100 55.803 -0.456 0.000 0.832 373 Q CB 2.793 31.309 28.738 -0.370 0.000 1.323 373 Q HN 0.319 nan 8.270 nan 0.000 0.448 374 F N 0.793 120.382 119.950 -0.603 0.000 2.626 374 F HA 0.559 5.086 4.527 -0.000 0.000 0.311 374 F C -0.380 174.951 175.800 -0.782 0.000 1.088 374 F CA -0.947 56.636 58.000 -0.695 0.000 0.949 374 F CB 1.617 40.206 39.000 -0.685 0.000 1.322 374 F HN 0.256 nan 8.300 nan 0.000 0.461 375 I N 2.802 122.973 120.570 -0.665 0.000 2.531 375 I HA 0.287 4.457 4.170 -0.000 0.000 0.283 375 I C -1.402 174.407 176.117 -0.512 0.000 1.083 375 I CA -0.522 60.478 61.300 -0.499 0.000 1.071 375 I CB 1.247 38.886 38.000 -0.602 0.000 1.210 375 I HN 0.377 nan 8.210 nan 0.000 0.450 376 F N 4.085 123.963 119.950 -0.120 0.000 2.450 376 F HA 0.504 5.031 4.527 -0.000 0.000 0.332 376 F C 0.599 176.664 175.800 0.443 0.000 1.093 376 F CA -0.582 57.475 58.000 0.095 0.000 1.003 376 F CB 1.636 40.612 39.000 -0.040 0.000 1.151 376 F HN 0.373 nan 8.300 nan 0.000 0.474 377 Q N 3.068 123.229 119.800 0.601 0.000 2.316 377 Q HA 0.475 4.815 4.340 -0.000 0.000 0.264 377 Q C -1.510 174.607 176.000 0.195 0.000 0.987 377 Q CA -1.231 54.788 55.803 0.361 0.000 0.852 377 Q CB 1.958 30.855 28.738 0.266 0.000 1.287 377 Q HN 0.694 nan 8.270 nan 0.000 0.448 378 L N 4.642 125.824 121.223 -0.068 0.000 2.325 378 L HA 0.332 4.672 4.340 -0.000 0.000 0.284 378 L C -1.073 175.574 176.870 -0.371 0.000 1.089 378 L CA 0.111 54.703 54.840 -0.413 0.000 0.836 378 L CB 0.082 41.796 42.059 -0.576 0.000 1.184 378 L HN 0.783 nan 8.230 nan 0.000 0.444 379 C N 4.373 123.491 119.300 -0.303 0.000 2.478 379 C HA 0.806 5.266 4.460 -0.000 0.000 0.379 379 C C 0.045 174.920 174.990 -0.192 0.000 1.470 379 C CA -0.723 58.173 59.018 -0.204 0.000 2.066 379 C CB 1.260 28.933 27.740 -0.113 0.000 2.001 379 C HN 0.934 nan 8.230 nan 0.000 0.550 380 K N 0.219 120.572 120.400 -0.078 0.000 2.557 380 K HA 0.777 5.097 4.320 -0.000 0.000 0.261 380 K C -1.929 174.709 176.600 0.062 0.000 0.932 380 K CA -0.403 55.870 56.287 -0.023 0.000 0.829 380 K CB 1.045 33.551 32.500 0.010 0.000 1.358 380 K HN 0.561 nan 8.250 nan 0.000 0.430 381 I N 2.115 122.736 120.570 0.084 0.000 2.499 381 I HA 0.240 4.409 4.170 -0.000 0.000 0.288 381 I C -0.476 175.672 176.117 0.051 0.000 1.048 381 I CA -0.861 60.517 61.300 0.129 0.000 1.062 381 I CB 2.568 40.728 38.000 0.266 0.000 1.238 381 I HN 0.826 nan 8.210 nan 0.000 0.426 382 T N 3.943 118.538 114.554 0.069 0.000 2.845 382 T HA 0.535 4.885 4.350 -0.000 0.000 0.288 382 T C -0.335 174.385 174.700 0.033 0.000 0.980 382 T CA -0.725 61.392 62.100 0.029 0.000 1.071 382 T CB 1.163 70.054 68.868 0.038 0.000 0.941 382 T HN 0.192 nan 8.240 nan 0.000 0.487 383 L N 4.559 125.776 121.223 -0.011 0.000 2.385 383 L HA 0.309 4.648 4.340 -0.000 0.000 0.285 383 L C 1.412 178.295 176.870 0.022 0.000 1.125 383 L CA 0.059 54.901 54.840 0.003 0.000 0.890 383 L CB -0.262 41.772 42.059 -0.042 0.000 1.251 383 L HN 1.056 nan 8.230 nan 0.000 0.445 384 T N -0.681 113.900 114.554 0.044 0.000 2.902 384 T HA 0.658 5.008 4.350 -0.000 0.000 0.287 384 T C 1.325 176.046 174.700 0.034 0.000 1.048 384 T CA -0.064 62.057 62.100 0.035 0.000 0.941 384 T CB 0.943 69.834 68.868 0.038 0.000 1.432 384 T HN 0.353 nan 8.240 nan 0.000 0.586 385 A N 0.819 123.654 122.820 0.025 0.000 1.832 385 A HA 0.008 4.328 4.320 -0.000 0.000 0.214 385 A C 1.902 179.502 177.584 0.027 0.000 1.200 385 A CA 1.691 53.740 52.037 0.020 0.000 0.610 385 A CB -1.346 17.661 19.000 0.012 0.000 0.842 385 A HN 0.849 nan 8.150 nan 0.000 0.444 386 D N -0.673 119.742 120.400 0.025 0.000 2.348 386 D HA 0.031 4.671 4.640 -0.000 0.000 0.216 386 D C 1.754 178.070 176.300 0.028 0.000 0.970 386 D CA 0.529 54.544 54.000 0.024 0.000 0.889 386 D CB -0.141 40.663 40.800 0.008 0.000 0.912 386 D HN 0.185 nan 8.370 nan 0.000 0.524 387 V N 0.694 120.632 119.914 0.041 0.000 2.251 387 V HA -0.193 3.927 4.120 -0.000 0.000 0.237 387 V C 2.404 178.554 176.094 0.093 0.000 1.040 387 V CA 1.415 63.750 62.300 0.059 0.000 1.005 387 V CB -0.453 31.437 31.823 0.112 0.000 0.645 387 V HN 0.165 nan 8.190 nan 0.000 0.458 388 M N 0.480 120.138 119.600 0.096 0.000 2.116 388 M HA -0.269 4.211 4.480 -0.000 0.000 0.255 388 M C 2.270 178.639 176.300 0.114 0.000 1.075 388 M CA 2.877 58.247 55.300 0.116 0.000 1.087 388 M CB -0.503 32.146 32.600 0.082 0.000 1.340 388 M HN 0.726 nan 8.290 nan 0.000 0.402 389 T N -1.721 112.877 114.554 0.074 0.000 2.652 389 T HA -0.276 4.074 4.350 -0.000 0.000 0.267 389 T C 1.627 176.397 174.700 0.117 0.000 1.039 389 T CA 1.765 63.904 62.100 0.065 0.000 1.153 389 T CB -1.259 67.631 68.868 0.038 0.000 0.863 389 T HN 0.595 nan 8.240 nan 0.000 0.428 390 Y N 2.316 122.587 120.300 -0.048 0.000 2.097 390 Y HA 0.001 4.551 4.550 -0.000 0.000 0.282 390 Y C 2.218 178.047 175.900 -0.118 0.000 1.152 390 Y CA 1.145 59.183 58.100 -0.103 0.000 1.136 390 Y CB -0.582 37.713 38.460 -0.275 0.000 0.975 390 Y HN 0.212 nan 8.280 nan 0.000 0.498 391 I N -0.012 120.561 120.570 0.005 0.000 2.908 391 I HA -0.315 3.855 4.170 -0.000 0.000 0.271 391 I C 2.157 178.192 176.117 -0.137 0.000 1.275 391 I CA 1.478 62.713 61.300 -0.108 0.000 1.446 391 I CB -0.493 37.569 38.000 0.105 0.000 1.092 391 I HN 0.458 nan 8.210 nan 0.000 0.482 392 H N -0.254 118.732 119.070 -0.141 0.000 2.481 392 H HA 0.142 4.698 4.556 -0.000 0.000 0.291 392 H C 2.096 177.327 175.328 -0.162 0.000 1.009 392 H CA 0.714 56.689 56.048 -0.122 0.000 1.282 392 H CB 0.467 30.201 29.762 -0.047 0.000 1.457 392 H HN 0.059 nan 8.280 nan 0.000 0.525 393 S N 0.563 116.289 115.700 0.043 0.000 2.555 393 S HA 0.002 4.472 4.470 -0.000 0.000 0.230 393 S C 1.899 176.381 174.600 -0.196 0.000 0.978 393 S CA 0.743 58.937 58.200 -0.011 0.000 0.934 393 S CB 0.086 63.297 63.200 0.017 0.000 0.766 393 S HN 0.468 nan 8.310 nan 0.000 0.533 394 M N 0.602 119.938 119.600 -0.439 0.000 2.731 394 M HA 0.229 4.709 4.480 -0.000 0.000 0.231 394 M C -0.063 175.801 176.300 -0.727 0.000 1.295 394 M CA 0.828 55.582 55.300 -0.909 0.000 1.283 394 M CB 0.497 32.476 32.600 -1.036 0.000 1.146 394 M HN 0.057 nan 8.290 nan 0.000 0.523 395 N N 0.295 118.621 118.700 -0.622 0.000 2.558 395 N HA 0.167 4.907 4.740 -0.000 0.000 0.285 395 N C 0.282 175.518 175.510 -0.457 0.000 1.112 395 N CA -0.058 52.684 53.050 -0.514 0.000 0.857 395 N CB 1.297 39.465 38.487 -0.532 0.000 1.376 395 N HN 0.337 nan 8.380 nan 0.000 0.526 396 S N 1.277 116.719 115.700 -0.430 0.000 2.353 396 S HA -0.259 4.211 4.470 -0.000 0.000 0.222 396 S C 2.184 176.612 174.600 -0.287 0.000 1.035 396 S CA 2.144 60.066 58.200 -0.463 0.000 1.025 396 S CB -1.068 61.849 63.200 -0.472 0.000 0.902 396 S HN 0.777 nan 8.310 nan 0.000 0.440 397 T N 1.915 116.325 114.554 -0.240 0.000 2.751 397 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 397 T C 1.762 176.325 174.700 -0.229 0.000 1.045 397 T CA 1.469 63.458 62.100 -0.184 0.000 1.142 397 T CB -0.991 67.776 68.868 -0.167 0.000 0.851 397 T HN 0.297 nan 8.240 nan 0.000 0.474 398 I N 2.190 122.542 120.570 -0.363 0.000 2.091 398 I HA -0.197 3.973 4.170 -0.000 0.000 0.240 398 I C 2.638 178.458 176.117 -0.496 0.000 1.046 398 I CA 1.537 62.466 61.300 -0.618 0.000 1.306 398 I CB -1.641 35.873 38.000 -0.811 0.000 1.018 398 I HN 0.357 nan 8.210 nan 0.000 0.404 399 L N 0.291 121.478 121.223 -0.060 0.000 2.005 399 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 399 L C 2.584 179.603 176.870 0.249 0.000 1.072 399 L CA 1.501 56.571 54.840 0.384 0.000 0.744 399 L CB -0.899 41.328 42.059 0.279 0.000 0.895 399 L HN 0.279 nan 8.230 nan 0.000 0.433 400 E N 0.232 120.485 120.200 0.088 0.000 2.047 400 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 400 E C 1.757 178.408 176.600 0.085 0.000 0.987 400 E CA 1.292 57.738 56.400 0.076 0.000 0.799 400 E CB -0.382 29.329 29.700 0.019 0.000 0.752 400 E HN 0.473 nan 8.360 nan 0.000 0.449 401 D N 0.605 121.020 120.400 0.025 0.000 2.116 401 D HA -0.166 4.474 4.640 -0.000 0.000 0.193 401 D C 0.375 176.769 176.300 0.156 0.000 0.998 401 D CA 0.686 54.706 54.000 0.033 0.000 0.836 401 D CB -0.306 40.461 40.800 -0.056 0.000 0.951 401 D HN 0.131 nan 8.370 nan 0.000 0.449 402 W N 2.417 123.747 121.300 0.049 0.000 2.435 402 W HA 0.026 4.686 4.660 -0.000 0.000 0.337 402 W C 1.057 177.611 176.519 0.059 0.000 1.300 402 W CA 0.226 57.611 57.345 0.067 0.000 1.298 402 W CB -0.697 28.810 29.460 0.079 0.000 1.217 402 W HN -0.021 nan 8.180 nan 0.000 0.565 439 D N 2.830 123.242 120.400 0.019 0.000 2.365 439 D HA 0.203 4.843 4.640 -0.000 0.000 0.237 439 D C -1.415 174.926 176.300 0.068 0.000 1.190 439 D CA -2.002 52.025 54.000 0.046 0.000 0.867 439 D CB 1.252 42.088 40.800 0.060 0.000 1.050 439 D HN 0.095 nan 8.370 nan 0.000 0.491 440 P HA -0.112 nan 4.420 nan 0.000 0.229 440 P C 0.401 177.836 177.300 0.225 0.000 1.150 440 P CA 0.767 63.935 63.100 0.114 0.000 0.765 440 P CB 0.176 31.938 31.700 0.104 0.000 0.783 441 L N -1.446 119.928 121.223 0.250 0.000 3.154 441 L HA 0.340 4.680 4.340 -0.000 0.000 0.266 441 L C 1.911 178.947 176.870 0.277 0.000 1.300 441 L CA -0.283 54.825 54.840 0.447 0.000 1.028 441 L CB 0.149 42.531 42.059 0.539 0.000 1.412 441 L HN -0.219 nan 8.230 nan 0.000 0.564 442 K N 1.336 121.797 120.400 0.101 0.000 2.098 442 K HA -0.003 4.317 4.320 -0.000 0.000 0.203 442 K C 1.838 178.371 176.600 -0.112 0.000 1.051 442 K CA 0.815 57.108 56.287 0.009 0.000 0.957 442 K CB 0.345 32.833 32.500 -0.019 0.000 0.738 442 K HN 0.055 nan 8.250 nan 0.000 0.447 443 K N 0.402 120.640 120.400 -0.270 0.000 2.589 443 K HA -0.044 4.276 4.320 -0.000 0.000 0.192 443 K C -0.417 175.744 176.600 -0.731 0.000 1.029 443 K CA 0.519 56.518 56.287 -0.480 0.000 1.031 443 K CB -0.595 31.579 32.500 -0.542 0.000 0.821 443 K HN 0.209 nan 8.250 nan 0.000 0.502 444 Y N -0.031 120.196 120.300 -0.122 0.000 2.570 444 Y HA 0.373 4.923 4.550 -0.000 0.000 0.345 444 Y C 0.081 175.637 175.900 -0.574 0.000 1.014 444 Y CA -1.220 56.655 58.100 -0.374 0.000 1.063 444 Y CB 2.196 40.466 38.460 -0.316 0.000 1.272 444 Y HN -0.224 nan 8.280 nan 0.000 0.477 445 T N 2.392 116.491 114.554 -0.759 0.000 2.906 445 T HA 0.579 4.929 4.350 -0.000 0.000 0.302 445 T C -1.159 173.065 174.700 -0.794 0.000 1.002 445 T CA -0.706 61.060 62.100 -0.557 0.000 0.988 445 T CB 0.059 68.747 68.868 -0.301 0.000 0.972 445 T HN 0.323 nan 8.240 nan 0.000 0.447 446 F N 0.719 120.695 119.950 0.043 0.000 2.593 446 F HA 0.568 5.095 4.527 -0.000 0.000 0.320 446 F C -0.143 175.701 175.800 0.074 0.000 1.060 446 F CA -1.503 56.509 58.000 0.019 0.000 0.940 446 F CB 1.209 40.234 39.000 0.042 0.000 1.268 446 F HN 0.496 nan 8.300 nan 0.000 0.475 447 W N 3.891 125.175 121.300 -0.028 0.000 2.381 447 W HA 0.143 4.803 4.660 -0.000 0.000 0.321 447 W C -0.574 175.954 176.519 0.015 0.000 1.407 447 W CA -0.405 56.859 57.345 -0.136 0.000 1.274 447 W CB 0.206 29.382 29.460 -0.474 0.000 1.310 447 W HN 0.470 nan 8.180 nan 0.000 0.551 448 E N 5.107 125.574 120.200 0.446 0.000 2.167 448 E HA 0.219 4.569 4.350 -0.000 0.000 0.284 448 E C -0.675 176.158 176.600 0.389 0.000 1.016 448 E CA -0.446 56.169 56.400 0.358 0.000 0.817 448 E CB 1.789 31.669 29.700 0.299 0.000 1.080 448 E HN 0.198 nan 8.360 nan 0.000 0.397 449 V N 3.884 123.937 119.914 0.232 0.000 2.370 449 V HA 0.244 4.364 4.120 -0.000 0.000 0.283 449 V C 0.400 176.586 176.094 0.153 0.000 1.023 449 V CA -1.027 61.391 62.300 0.196 0.000 0.857 449 V CB 1.470 33.361 31.823 0.114 0.000 0.985 449 V HN 0.496 nan 8.190 nan 0.000 0.443 450 N N 4.673 123.480 118.700 0.177 0.000 2.457 450 N HA 0.388 5.128 4.740 -0.000 0.000 0.250 450 N C -0.048 175.498 175.510 0.060 0.000 0.982 450 N CA -0.363 52.773 53.050 0.143 0.000 0.941 450 N CB 1.774 40.338 38.487 0.128 0.000 1.120 450 N HN 0.725 nan 8.380 nan 0.000 0.505 451 L N 3.406 124.629 121.223 -0.001 0.000 2.693 451 L HA 0.154 4.494 4.340 -0.000 0.000 0.235 451 L C 1.828 178.667 176.870 -0.052 0.000 1.127 451 L CA 0.012 54.848 54.840 -0.007 0.000 0.914 451 L CB 0.266 42.298 42.059 -0.045 0.000 1.193 451 L HN 0.450 nan 8.230 nan 0.000 0.502 452 K N 0.764 121.079 120.400 -0.143 0.000 2.020 452 K HA -0.215 4.105 4.320 -0.000 0.000 0.212 452 K C 1.143 177.658 176.600 -0.142 0.000 1.050 452 K CA 1.535 57.656 56.287 -0.276 0.000 0.929 452 K CB -0.066 32.327 32.500 -0.178 0.000 0.714 452 K HN 0.058 nan 8.250 nan 0.000 0.443 453 E N 0.453 120.646 120.200 -0.011 0.000 2.382 453 E HA -0.023 4.327 4.350 -0.000 0.000 0.190 453 E C 0.394 177.064 176.600 0.117 0.000 1.125 453 E CA 0.376 56.815 56.400 0.065 0.000 0.929 453 E CB 0.309 30.046 29.700 0.061 0.000 1.053 453 E HN 0.129 nan 8.360 nan 0.000 0.475 454 K N -0.581 119.901 120.400 0.137 0.000 2.373 454 K HA 0.142 4.462 4.320 -0.000 0.000 0.200 454 K C -0.151 176.612 176.600 0.271 0.000 1.054 454 K CA -0.133 56.263 56.287 0.182 0.000 1.065 454 K CB 0.403 32.980 32.500 0.128 0.000 0.886 454 K HN 0.043 nan 8.250 nan 0.000 0.546 455 F N 1.750 121.664 119.950 -0.060 0.000 2.484 455 F HA 0.170 4.697 4.527 -0.000 0.000 0.360 455 F C 0.813 176.763 175.800 0.249 0.000 1.101 455 F CA -0.152 57.819 58.000 -0.048 0.000 1.251 455 F CB 0.932 39.669 39.000 -0.438 0.000 1.132 455 F HN -0.273 nan 8.300 nan 0.000 0.570 456 S N 1.265 117.311 115.700 0.577 0.000 2.575 456 S HA 0.659 5.129 4.470 -0.000 0.000 0.278 456 S C 0.349 175.182 174.600 0.387 0.000 1.139 456 S CA -0.140 58.406 58.200 0.577 0.000 0.954 456 S CB 1.477 65.013 63.200 0.560 0.000 1.054 456 S HN 0.746 nan 8.310 nan 0.000 0.483 457 A N 2.576 125.471 122.820 0.124 0.000 1.855 457 A HA 0.098 4.418 4.320 -0.000 0.000 0.213 457 A C 0.467 177.995 177.584 -0.094 0.000 1.195 457 A CA 1.029 52.775 52.037 -0.485 0.000 0.610 457 A CB -0.739 18.101 19.000 -0.267 0.000 0.837 457 A HN 0.867 nan 8.150 nan 0.000 0.444 458 D N 1.298 121.733 120.400 0.057 0.000 2.359 458 D HA 0.119 4.759 4.640 -0.000 0.000 0.273 458 D C 0.719 177.098 176.300 0.133 0.000 1.362 458 D CA 0.004 54.043 54.000 0.065 0.000 1.010 458 D CB -0.137 40.678 40.800 0.026 0.000 1.090 458 D HN 0.428 nan 8.370 nan 0.000 0.521 459 L N 1.063 122.378 121.223 0.154 0.000 2.291 459 L HA -0.106 4.234 4.340 -0.000 0.000 0.214 459 L C 1.456 178.377 176.870 0.085 0.000 1.120 459 L CA 0.553 55.521 54.840 0.214 0.000 0.799 459 L CB -0.435 41.753 42.059 0.216 0.000 0.925 459 L HN 0.282 nan 8.230 nan 0.000 0.446 460 D N 0.730 121.143 120.400 0.022 0.000 2.332 460 D HA -0.218 4.422 4.640 -0.000 0.000 0.209 460 D C 1.384 177.620 176.300 -0.107 0.000 0.988 460 D CA 1.090 55.069 54.000 -0.034 0.000 0.912 460 D CB -0.077 40.701 40.800 -0.036 0.000 0.899 460 D HN 0.581 nan 8.370 nan 0.000 0.477 461 Q N -0.637 119.031 119.800 -0.220 0.000 2.198 461 Q HA 0.212 4.552 4.340 -0.000 0.000 0.209 461 Q C -0.140 175.442 176.000 -0.696 0.000 0.848 461 Q CA 0.068 55.596 55.803 -0.458 0.000 0.974 461 Q CB 0.648 29.069 28.738 -0.530 0.000 1.115 461 Q HN 0.272 nan 8.270 nan 0.000 0.494 462 F N 0.513 120.368 119.950 -0.157 0.000 2.599 462 F HA 0.293 4.820 4.527 -0.000 0.000 0.311 462 F C -1.615 174.120 175.800 -0.108 0.000 1.076 462 F CA -2.215 55.648 58.000 -0.228 0.000 0.937 462 F CB 2.102 40.726 39.000 -0.627 0.000 1.282 462 F HN -0.266 nan 8.300 nan 0.000 0.460 463 P HA -0.173 nan 4.420 nan 0.000 0.216 463 P C 1.602 178.966 177.300 0.106 0.000 1.150 463 P CA 1.441 64.592 63.100 0.086 0.000 0.837 463 P CB 0.786 32.520 31.700 0.057 0.000 0.786 464 L N -0.830 120.481 121.223 0.147 0.000 2.209 464 L HA 0.076 4.416 4.340 -0.000 0.000 0.207 464 L C 2.370 179.390 176.870 0.250 0.000 1.094 464 L CA 1.547 56.471 54.840 0.140 0.000 0.790 464 L CB -0.960 41.125 42.059 0.044 0.000 0.932 464 L HN -0.034 nan 8.230 nan 0.000 0.447 465 G N -0.183 108.782 108.800 0.276 0.000 2.424 465 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.214 465 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.214 465 G C 1.476 176.494 174.900 0.196 0.000 1.202 465 G CA 0.498 45.769 45.100 0.284 0.000 0.793 465 G HN 0.266 nan 8.290 nan 0.000 0.534 466 R N 0.447 121.020 120.500 0.123 0.000 2.227 466 R HA -0.233 4.107 4.340 -0.000 0.000 0.259 466 R C 2.597 178.929 176.300 0.054 0.000 1.139 466 R CA 2.143 58.277 56.100 0.056 0.000 0.969 466 R CB -0.326 29.995 30.300 0.035 0.000 0.903 466 R HN 0.334 nan 8.270 nan 0.000 0.452 467 K N -0.479 119.992 120.400 0.118 0.000 1.967 467 K HA -0.135 4.185 4.320 -0.000 0.000 0.212 467 K C 1.950 178.665 176.600 0.192 0.000 1.044 467 K CA 1.408 57.796 56.287 0.169 0.000 0.942 467 K CB -0.448 32.194 32.500 0.236 0.000 0.726 467 K HN 0.013 nan 8.250 nan 0.000 0.440 468 F N 2.347 122.395 119.950 0.163 0.000 2.063 468 F HA -0.321 4.206 4.527 -0.000 0.000 0.297 468 F C 2.013 177.613 175.800 -0.334 0.000 1.099 468 F CA 1.470 59.309 58.000 -0.267 0.000 1.220 468 F CB -0.776 38.110 39.000 -0.190 0.000 0.972 468 F HN -0.029 nan 8.300 nan 0.000 0.487 469 L N 0.230 121.241 121.223 -0.354 0.000 1.997 469 L HA -0.229 4.111 4.340 -0.000 0.000 0.216 469 L C 2.246 178.895 176.870 -0.368 0.000 1.074 469 L CA 1.816 56.402 54.840 -0.423 0.000 0.763 469 L CB -0.800 41.167 42.059 -0.155 0.000 0.890 469 L HN 0.329 nan 8.230 nan 0.000 0.434 470 L N -0.875 120.216 121.223 -0.220 0.000 2.711 470 L HA -0.078 4.262 4.340 -0.000 0.000 0.242 470 L C 1.739 178.480 176.870 -0.215 0.000 1.153 470 L CA 0.157 54.891 54.840 -0.176 0.000 0.898 470 L CB -0.191 41.816 42.059 -0.087 0.000 1.044 470 L HN 0.514 nan 8.230 nan 0.000 0.437 471 Q N -0.203 119.369 119.800 -0.381 0.000 2.505 471 Q HA 0.158 4.498 4.340 -0.000 0.000 0.184 471 Q C 0.844 176.546 176.000 -0.497 0.000 0.878 471 Q CA -0.107 55.437 55.803 -0.432 0.000 0.811 471 Q CB 0.106 28.474 28.738 -0.617 0.000 1.118 471 Q HN 0.236 nan 8.270 nan 0.000 0.605 472 L N 0.000 120.785 121.223 -0.730 0.000 2.949 472 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 472 L CA 0.000 54.524 54.840 -0.527 0.000 0.813 472 L CB 0.000 41.763 42.059 -0.493 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502