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 3oae_1_E 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 LQLGL 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 0.000 177.644 177.584 0.100 0.000 1.274 20 A CA 0.000 52.068 52.037 0.052 0.000 0.836 20 A CB 0.000 19.035 19.000 0.058 0.000 0.831 21 V N 1.363 121.288 119.914 0.018 0.000 2.743 21 V HA 0.718 4.839 4.120 0.002 0.000 0.301 21 V C 0.362 176.370 176.094 -0.144 0.000 1.057 21 V CA 0.030 62.355 62.300 0.041 0.000 1.006 21 V CB 1.479 33.210 31.823 -0.154 0.000 1.024 21 V HN 1.577 nan 8.190 nan 0.000 0.473 22 V N 0.452 120.365 119.914 -0.001 0.000 3.007 22 V HA 0.715 4.836 4.120 0.002 0.000 0.311 22 V C -0.038 176.028 176.094 -0.046 0.000 1.120 22 V CA -0.771 61.418 62.300 -0.185 0.000 0.980 22 V CB 1.748 33.545 31.823 -0.043 0.000 1.033 22 V HN 0.826 nan 8.190 nan 0.000 0.429 23 S N 1.399 117.118 115.700 0.031 0.000 2.563 23 S HA 0.108 4.579 4.470 0.002 0.000 0.284 23 S C 1.563 176.159 174.600 -0.007 0.000 1.331 23 S CA 0.494 58.807 58.200 0.189 0.000 1.047 23 S CB 0.874 64.183 63.200 0.181 0.000 0.859 23 S HN 1.651 nan 8.310 nan 0.000 0.514 24 T N 1.175 115.689 114.554 -0.067 0.000 2.962 24 T HA -0.078 4.273 4.350 0.002 0.000 0.270 24 T C 0.945 175.367 174.700 -0.462 0.000 1.088 24 T CA 1.250 63.060 62.100 -0.483 0.000 1.127 24 T CB -0.484 68.276 68.868 -0.181 0.000 0.883 24 T HN 0.660 nan 8.240 nan 0.000 0.493 25 D N 1.519 121.804 120.400 -0.191 0.000 2.265 25 D HA -0.078 4.563 4.640 0.002 0.000 0.208 25 D C 2.175 178.408 176.300 -0.113 0.000 0.977 25 D CA 0.762 54.690 54.000 -0.120 0.000 0.871 25 D CB -0.162 40.614 40.800 -0.040 0.000 0.925 25 D HN 0.554 nan 8.370 nan 0.000 0.485 26 E N 0.019 120.141 120.200 -0.130 0.000 2.028 26 E HA -0.156 4.196 4.350 0.002 0.000 0.191 26 E C 1.866 178.482 176.600 0.028 0.000 0.988 26 E CA 0.975 57.357 56.400 -0.029 0.000 0.799 26 E CB -0.187 29.537 29.700 0.040 0.000 0.755 26 E HN 0.590 nan 8.360 nan 0.000 0.447 27 Y N -1.429 118.876 120.300 0.008 0.000 2.467 27 Y HA 0.392 4.943 4.550 0.002 0.000 0.250 27 Y C 0.473 176.430 175.900 0.096 0.000 1.155 27 Y CA -0.421 57.700 58.100 0.036 0.000 1.249 27 Y CB 0.253 38.718 38.460 0.008 0.000 1.146 27 Y HN -0.334 nan 8.280 nan 0.000 0.524 28 V N 2.414 122.254 119.914 -0.124 0.000 2.370 28 V HA 0.750 4.871 4.120 0.002 0.000 0.283 28 V C 0.177 176.249 176.094 -0.037 0.000 1.023 28 V CA -1.055 61.229 62.300 -0.027 0.000 0.857 28 V CB 0.700 32.446 31.823 -0.127 0.000 0.985 28 V HN 0.413 nan 8.190 nan 0.000 0.443 29 A N 6.342 129.161 122.820 -0.002 0.000 2.310 29 A HA 0.745 5.066 4.320 0.002 0.000 0.299 29 A C 0.073 177.628 177.584 -0.049 0.000 1.147 29 A CA -0.699 51.328 52.037 -0.015 0.000 0.818 29 A CB 0.597 19.602 19.000 0.010 0.000 1.096 29 A HN 0.715 nan 8.150 nan 0.000 0.495 30 R N 1.713 122.182 120.500 -0.051 0.000 2.229 30 R HA 0.369 4.710 4.340 0.002 0.000 0.328 30 R C 0.528 176.773 176.300 -0.093 0.000 1.009 30 R CA -0.011 56.042 56.100 -0.078 0.000 0.864 30 R CB 1.183 31.453 30.300 -0.050 0.000 1.085 30 R HN 0.952 nan 8.270 nan 0.000 0.453 31 T N -1.703 112.753 114.554 -0.164 0.000 2.867 31 T HA 0.135 4.487 4.350 0.002 0.000 0.286 31 T C 0.803 175.381 174.700 -0.202 0.000 1.022 31 T CA -0.476 61.512 62.100 -0.188 0.000 0.933 31 T CB 0.880 69.543 68.868 -0.342 0.000 1.280 31 T HN 0.609 nan 8.240 nan 0.000 0.566 32 N N -0.938 117.656 118.700 -0.177 0.000 2.203 32 N HA 0.266 5.008 4.740 0.002 0.000 0.207 32 N C -0.183 175.279 175.510 -0.079 0.000 1.130 32 N CA -0.280 52.727 53.050 -0.071 0.000 0.861 32 N CB 0.088 38.590 38.487 0.027 0.000 1.005 32 N HN 0.534 nan 8.380 nan 0.000 0.507 33 I N 1.240 121.670 120.570 -0.234 0.000 2.365 33 I HA 0.222 4.393 4.170 0.002 0.000 0.291 33 I C -0.961 175.102 176.117 -0.090 0.000 1.004 33 I CA -0.413 60.852 61.300 -0.057 0.000 1.311 33 I CB 0.516 38.478 38.000 -0.064 0.000 1.401 33 I HN -0.059 nan 8.210 nan 0.000 0.491 34 Y N 4.758 125.192 120.300 0.224 0.000 2.477 34 Y HA 0.556 5.107 4.550 0.002 0.000 0.347 34 Y C -0.769 175.221 175.900 0.150 0.000 0.981 34 Y CA -0.671 57.557 58.100 0.213 0.000 1.033 34 Y CB 2.020 40.539 38.460 0.098 0.000 1.245 34 Y HN 0.334 nan 8.280 nan 0.000 0.455 35 Y N 1.270 121.673 120.300 0.171 0.000 2.536 35 Y HA 0.381 4.932 4.550 0.002 0.000 0.347 35 Y C -0.288 175.485 175.900 -0.212 0.000 1.000 35 Y CA -1.150 56.949 58.100 -0.002 0.000 1.051 35 Y CB 1.661 40.065 38.460 -0.094 0.000 1.259 35 Y HN 0.581 nan 8.280 nan 0.000 0.468 36 H N 1.518 120.448 119.070 -0.234 0.000 2.529 36 H HA 0.890 5.447 4.556 0.002 0.000 0.348 36 H C -1.704 173.283 175.328 -0.569 0.000 1.152 36 H CA -0.629 55.178 56.048 -0.402 0.000 1.202 36 H CB 1.735 31.223 29.762 -0.456 0.000 1.562 36 H HN 0.823 nan 8.280 nan 0.000 0.515 37 A N 2.388 124.556 122.820 -1.087 0.000 2.547 37 A HA 0.652 4.973 4.320 0.002 0.000 0.297 37 A C -0.979 176.291 177.584 -0.524 0.000 1.056 37 A CA -0.034 51.614 52.037 -0.649 0.000 0.688 37 A CB 1.742 20.330 19.000 -0.688 0.000 1.282 37 A HN 0.934 nan 8.150 nan 0.000 0.400 38 G N 0.179 108.864 108.800 -0.191 0.000 2.742 38 G HA2 0.678 4.640 3.960 0.002 0.000 0.296 38 G HA3 0.678 4.640 3.960 0.002 0.000 0.296 38 G C -0.358 174.554 174.900 0.021 0.000 1.436 38 G CA 0.242 45.312 45.100 -0.050 0.000 0.928 38 G HN 1.501 nan 8.290 nan 0.000 0.520 39 T N -1.225 113.336 114.554 0.011 0.000 2.899 39 T HA 0.419 4.770 4.350 0.002 0.000 0.295 39 T C 1.889 176.604 174.700 0.025 0.000 1.033 39 T CA 0.680 62.782 62.100 0.002 0.000 1.084 39 T CB 1.375 70.198 68.868 -0.076 0.000 0.979 39 T HN 1.270 nan 8.240 nan 0.000 0.532 40 S N 1.753 117.483 115.700 0.050 0.000 2.344 40 S HA -0.072 4.399 4.470 0.002 0.000 0.217 40 S C 0.977 175.604 174.600 0.045 0.000 1.033 40 S CA 0.603 58.841 58.200 0.064 0.000 1.017 40 S CB -0.461 62.784 63.200 0.075 0.000 0.941 40 S HN 1.048 nan 8.310 nan 0.000 0.430 41 R N 0.237 120.763 120.500 0.044 0.000 3.599 41 R HA 0.201 4.542 4.340 0.002 0.000 0.310 41 R C -1.954 174.394 176.300 0.081 0.000 1.004 41 R CA -0.282 55.843 56.100 0.041 0.000 1.105 41 R CB -0.114 30.214 30.300 0.046 0.000 1.350 41 R HN 0.406 nan 8.270 nan 0.000 0.412 42 L N 4.084 125.346 121.223 0.065 0.000 2.397 42 L HA 0.449 4.791 4.340 0.002 0.000 0.271 42 L C -0.242 176.792 176.870 0.274 0.000 1.148 42 L CA -0.655 54.287 54.840 0.170 0.000 0.825 42 L CB 0.680 42.673 42.059 -0.110 0.000 1.117 42 L HN 0.400 nan 8.230 nan 0.000 0.456 43 L N 2.686 124.148 121.223 0.399 0.000 2.401 43 L HA 0.792 5.133 4.340 0.002 0.000 0.266 43 L C -0.698 176.412 176.870 0.401 0.000 0.991 43 L CA -0.281 54.759 54.840 0.333 0.000 0.818 43 L CB 1.958 44.134 42.059 0.194 0.000 1.321 43 L HN 0.697 nan 8.230 nan 0.000 0.413 44 A N 3.962 126.989 122.820 0.346 0.000 2.375 44 A HA 0.808 5.129 4.320 0.002 0.000 0.295 44 A C -1.724 175.965 177.584 0.174 0.000 1.066 44 A CA -0.482 51.714 52.037 0.265 0.000 0.722 44 A CB 1.423 20.652 19.000 0.382 0.000 1.206 44 A HN 0.395 nan 8.150 nan 0.000 0.435 45 V N 1.657 121.634 119.914 0.104 0.000 2.588 45 V HA 0.945 5.066 4.120 0.002 0.000 0.304 45 V C 0.567 176.696 176.094 0.059 0.000 1.042 45 V CA 0.299 62.643 62.300 0.073 0.000 0.877 45 V CB 1.385 33.233 31.823 0.041 0.000 0.996 45 V HN 1.577 nan 8.190 nan 0.000 0.425 46 G N 1.637 110.476 108.800 0.064 0.000 2.490 46 G HA2 0.367 4.328 3.960 0.002 0.000 0.308 46 G HA3 0.367 4.328 3.960 0.002 0.000 0.308 46 G C -1.757 173.166 174.900 0.038 0.000 1.286 46 G CA -0.644 44.490 45.100 0.056 0.000 0.825 46 G HN 0.721 nan 8.290 nan 0.000 0.479 47 H N 1.718 120.743 119.070 -0.075 0.000 2.548 47 H HA 0.361 4.918 4.556 0.002 0.000 0.331 47 H C -1.377 173.803 175.328 -0.247 0.000 1.093 47 H CA -1.574 54.357 56.048 -0.196 0.000 1.367 47 H CB 2.501 32.100 29.762 -0.270 0.000 1.455 47 H HN 0.170 nan 8.280 nan 0.000 0.519 48 P HA -0.150 nan 4.420 nan 0.000 0.217 48 P C 0.663 177.901 177.300 -0.104 0.000 1.150 48 P CA 1.510 64.369 63.100 -0.401 0.000 0.832 48 P CB 0.162 31.436 31.700 -0.710 0.000 0.787 49 Y N -1.001 119.293 120.300 -0.010 0.000 2.500 49 Y HA 0.212 4.763 4.550 0.002 0.000 0.284 49 Y C 1.169 177.062 175.900 -0.012 0.000 1.118 49 Y CA -0.737 57.338 58.100 -0.041 0.000 1.241 49 Y CB 0.179 38.611 38.460 -0.046 0.000 1.171 49 Y HN -0.109 nan 8.280 nan 0.000 0.540 50 F N -2.063 118.030 119.950 0.238 0.000 2.713 50 F HA 0.624 5.152 4.527 0.002 0.000 0.311 50 F C -3.442 172.320 175.800 -0.065 0.000 1.141 50 F CA -3.579 54.434 58.000 0.022 0.000 0.939 50 F CB 0.528 39.498 39.000 -0.050 0.000 1.325 50 F HN -0.392 nan 8.300 nan 0.000 0.453 51 P HA 0.356 nan 4.420 nan 0.000 0.285 51 P C -0.817 176.587 177.300 0.174 0.000 1.259 51 P CA 0.037 63.223 63.100 0.142 0.000 0.794 51 P CB 1.898 33.655 31.700 0.095 0.000 0.940 52 I N 4.199 124.841 120.570 0.119 0.000 2.325 52 I HA 0.247 4.418 4.170 0.002 0.000 0.291 52 I C 1.062 177.222 176.117 0.071 0.000 1.019 52 I CA 0.348 61.717 61.300 0.114 0.000 1.302 52 I CB 0.374 38.445 38.000 0.118 0.000 1.401 52 I HN 0.395 nan 8.210 nan 0.000 0.485 53 K N 4.919 125.348 120.400 0.050 0.000 2.439 53 K HA 0.586 4.907 4.320 0.002 0.000 0.260 53 K C -0.825 175.786 176.600 0.019 0.000 1.032 53 K CA -1.248 55.056 56.287 0.029 0.000 0.882 53 K CB 1.265 33.775 32.500 0.017 0.000 1.420 53 K HN -0.007 nan 8.250 nan 0.000 0.455 54 K N 2.260 122.667 120.400 0.013 0.000 2.383 54 K HA 0.088 4.409 4.320 0.002 0.000 0.286 54 K C -1.685 174.914 176.600 -0.002 0.000 1.051 54 K CA -1.713 54.578 56.287 0.008 0.000 0.974 54 K CB 1.146 33.650 32.500 0.006 0.000 0.968 54 K HN 0.463 nan 8.250 nan 0.000 0.475 55 P HA -0.250 nan 4.420 nan 0.000 0.215 55 P C 0.537 177.828 177.300 -0.015 0.000 1.163 55 P CA 1.908 64.998 63.100 -0.016 0.000 0.894 55 P CB 0.035 31.725 31.700 -0.016 0.000 0.791 56 N N -0.908 117.786 118.700 -0.010 0.000 2.244 56 N HA -0.117 4.625 4.740 0.002 0.000 0.183 56 N C 1.310 176.815 175.510 -0.009 0.000 1.016 56 N CA 0.743 53.788 53.050 -0.009 0.000 0.866 56 N CB -0.998 37.486 38.487 -0.007 0.000 0.980 56 N HN 0.135 nan 8.380 nan 0.000 0.430 57 N N 0.200 118.896 118.700 -0.007 0.000 2.514 57 N HA 0.164 4.906 4.740 0.002 0.000 0.299 57 N C 0.063 175.568 175.510 -0.007 0.000 1.292 57 N CA -0.165 52.881 53.050 -0.006 0.000 0.963 57 N CB 0.386 38.872 38.487 -0.002 0.000 1.124 57 N HN 0.390 nan 8.380 nan 0.000 0.580 58 N N -1.179 117.517 118.700 -0.006 0.000 1.986 58 N HA -0.019 4.722 4.740 0.002 0.000 0.227 58 N C -0.554 174.954 175.510 -0.004 0.000 1.387 58 N CA -0.200 52.846 53.050 -0.007 0.000 0.810 58 N CB 0.263 38.745 38.487 -0.009 0.000 1.140 58 N HN 0.396 nan 8.380 nan 0.000 0.504 59 K N 1.793 122.192 120.400 -0.002 0.000 2.401 59 K HA 0.144 4.465 4.320 0.002 0.000 0.278 59 K C -0.365 176.237 176.600 0.004 0.000 1.018 59 K CA -0.385 55.901 56.287 -0.001 0.000 0.981 59 K CB 0.436 32.936 32.500 -0.001 0.000 0.933 59 K HN 0.052 nan 8.250 nan 0.000 0.477 60 I N 5.045 125.617 120.570 0.003 0.000 2.379 60 I HA 0.019 4.191 4.170 0.002 0.000 0.290 60 I C 0.868 176.992 176.117 0.012 0.000 1.063 60 I CA -0.167 61.139 61.300 0.011 0.000 1.351 60 I CB 0.478 38.482 38.000 0.008 0.000 1.410 60 I HN 0.621 nan 8.210 nan 0.000 0.505 61 L N 6.815 128.052 121.223 0.022 0.000 2.102 61 L HA 0.307 4.648 4.340 0.002 0.000 0.202 61 L C 0.508 177.393 176.870 0.026 0.000 1.076 61 L CA 1.386 56.240 54.840 0.023 0.000 0.761 61 L CB 0.409 42.486 42.059 0.032 0.000 0.921 61 L HN 0.455 nan 8.230 nan 0.000 0.444 62 V N 1.455 121.393 119.914 0.039 0.000 2.638 62 V HA 0.453 4.574 4.120 0.002 0.000 0.306 62 V C -2.448 173.675 176.094 0.048 0.000 1.052 62 V CA -1.347 60.979 62.300 0.044 0.000 0.885 62 V CB 1.655 33.518 31.823 0.065 0.000 0.999 62 V HN 0.072 nan 8.190 nan 0.000 0.424 63 P HA 0.272 nan 4.420 nan 0.000 0.278 63 P C -1.116 176.217 177.300 0.055 0.000 1.258 63 P CA -0.760 62.361 63.100 0.034 0.000 0.811 63 P CB 1.416 33.117 31.700 0.003 0.000 1.063 64 K N 1.273 121.708 120.400 0.058 0.000 2.316 64 K HA 0.321 4.642 4.320 0.002 0.000 0.289 64 K C -1.256 175.378 176.600 0.057 0.000 1.070 64 K CA -0.373 55.954 56.287 0.067 0.000 0.928 64 K CB 0.112 32.663 32.500 0.085 0.000 1.039 64 K HN 0.217 nan 8.250 nan 0.000 0.480 65 V N 3.587 123.532 119.914 0.051 0.000 2.380 65 V HA 0.224 4.346 4.120 0.002 0.000 0.286 65 V C -0.465 175.619 176.094 -0.017 0.000 1.015 65 V CA -0.740 61.604 62.300 0.073 0.000 0.834 65 V CB 1.189 33.094 31.823 0.137 0.000 1.009 65 V HN 0.819 nan 8.190 nan 0.000 0.428 66 S N 3.252 118.907 115.700 -0.075 0.000 2.570 66 S HA 0.664 5.135 4.470 0.002 0.000 0.286 66 S C 1.141 175.604 174.600 -0.228 0.000 1.099 66 S CA 0.188 58.214 58.200 -0.289 0.000 0.913 66 S CB 2.081 65.229 63.200 -0.087 0.000 1.085 66 S HN 0.911 nan 8.310 nan 0.000 0.480 67 G N 1.543 110.116 108.800 -0.379 0.000 2.679 67 G HA2 0.080 4.041 3.960 0.002 0.000 0.212 67 G HA3 0.080 4.041 3.960 0.002 0.000 0.212 67 G C 0.720 175.637 174.900 0.027 0.000 1.137 67 G CA 0.279 45.351 45.100 -0.046 0.000 0.787 67 G HN 0.645 nan 8.290 nan 0.000 0.534 68 L N 0.032 121.269 121.223 0.023 0.000 2.653 68 L HA 0.266 4.607 4.340 0.002 0.000 0.231 68 L C 1.017 177.902 176.870 0.025 0.000 1.153 68 L CA 0.036 54.909 54.840 0.055 0.000 0.933 68 L CB 0.162 42.307 42.059 0.143 0.000 1.175 68 L HN 0.220 nan 8.230 nan 0.000 0.473 69 Q N -1.409 118.415 119.800 0.039 0.000 2.215 69 Q HA 0.358 4.700 4.340 0.002 0.000 0.256 69 Q C -1.183 174.852 176.000 0.057 0.000 0.972 69 Q CA -0.849 55.001 55.803 0.078 0.000 0.889 69 Q CB 1.162 29.962 28.738 0.103 0.000 1.281 69 Q HN -0.007 nan 8.270 nan 0.000 0.456 70 Y N 0.419 120.745 120.300 0.044 0.000 2.304 70 Y HA 0.218 4.770 4.550 0.002 0.000 0.327 70 Y C 0.335 176.223 175.900 -0.020 0.000 1.209 70 Y CA -0.122 57.993 58.100 0.025 0.000 1.299 70 Y CB 0.885 39.349 38.460 0.005 0.000 1.249 70 Y HN 0.217 nan 8.280 nan 0.000 0.519 71 R N 2.362 122.904 120.500 0.070 0.000 2.371 71 R HA 0.414 4.755 4.340 0.002 0.000 0.312 71 R C -1.770 174.300 176.300 -0.383 0.000 0.980 71 R CA -0.674 55.270 56.100 -0.259 0.000 0.867 71 R CB 1.193 31.215 30.300 -0.465 0.000 1.163 71 R HN 0.412 nan 8.270 nan 0.000 0.492 72 V N 5.448 125.201 119.914 -0.270 0.000 2.313 72 V HA 0.406 4.527 4.120 0.002 0.000 0.278 72 V C -0.263 175.761 176.094 -0.117 0.000 1.017 72 V CA -0.660 61.598 62.300 -0.069 0.000 0.823 72 V CB 0.703 32.656 31.823 0.216 0.000 1.010 72 V HN 0.446 nan 8.190 nan 0.000 0.443 73 F N 3.862 123.884 119.950 0.120 0.000 2.411 73 F HA 0.527 5.055 4.527 0.002 0.000 0.350 73 F C 0.897 176.562 175.800 -0.225 0.000 1.114 73 F CA -0.533 57.463 58.000 -0.006 0.000 1.135 73 F CB 0.971 39.901 39.000 -0.116 0.000 1.120 73 F HN 0.240 nan 8.300 nan 0.000 0.495 74 R N 4.935 125.326 120.500 -0.182 0.000 2.230 74 R HA 0.307 4.648 4.340 0.002 0.000 0.337 74 R C -0.895 174.999 176.300 -0.677 0.000 1.063 74 R CA -0.481 55.145 56.100 -0.789 0.000 0.935 74 R CB 0.214 30.134 30.300 -0.632 0.000 1.121 74 R HN 0.520 nan 8.270 nan 0.000 0.486 75 I N 5.497 125.657 120.570 -0.683 0.000 2.337 75 I HA 0.163 4.334 4.170 0.002 0.000 0.291 75 I C 0.554 176.309 176.117 -0.605 0.000 1.046 75 I CA -0.464 60.522 61.300 -0.525 0.000 1.324 75 I CB 0.440 38.174 38.000 -0.444 0.000 1.409 75 I HN 0.243 nan 8.210 nan 0.000 0.494 76 H N 7.048 126.003 119.070 -0.192 0.000 2.517 76 H HA 0.509 5.066 4.556 0.002 0.000 0.317 76 H C -0.161 175.041 175.328 -0.210 0.000 1.080 76 H CA -0.451 55.497 56.048 -0.167 0.000 1.301 76 H CB 1.858 31.561 29.762 -0.099 0.000 1.425 76 H HN 0.423 nan 8.280 nan 0.000 0.471 77 L N 5.235 126.368 121.223 -0.151 0.000 2.334 77 L HA 0.372 4.714 4.340 0.002 0.000 0.273 77 L C -2.093 174.603 176.870 -0.290 0.000 1.013 77 L CA -2.197 52.430 54.840 -0.354 0.000 0.816 77 L CB 1.946 43.720 42.059 -0.474 0.000 1.278 77 L HN 0.367 nan 8.230 nan 0.000 0.431 78 P HA -0.027 nan 4.420 nan 0.000 0.271 78 P C -0.876 176.372 177.300 -0.088 0.000 1.216 78 P CA -0.226 62.713 63.100 -0.268 0.000 0.771 78 P CB 0.768 32.240 31.700 -0.379 0.000 0.864 79 D N 5.328 125.733 120.400 0.009 0.000 2.412 79 D HA -0.021 4.621 4.640 0.002 0.000 0.257 79 D C -1.004 175.306 176.300 0.017 0.000 1.217 79 D CA -1.740 52.292 54.000 0.054 0.000 0.897 79 D CB 0.596 41.451 40.800 0.092 0.000 1.132 79 D HN 0.239 nan 8.370 nan 0.000 0.493 80 P HA -0.136 nan 4.420 nan 0.000 0.225 80 P C 0.696 178.030 177.300 0.057 0.000 1.148 80 P CA 0.724 63.660 63.100 -0.274 0.000 0.779 80 P CB 0.474 31.634 31.700 -0.900 0.000 0.780 81 N N 0.208 118.930 118.700 0.037 0.000 2.300 81 N HA -0.066 4.676 4.740 0.002 0.000 0.179 81 N C 1.682 177.277 175.510 0.143 0.000 1.016 81 N CA 0.977 54.077 53.050 0.083 0.000 0.876 81 N CB -0.102 38.410 38.487 0.043 0.000 0.979 81 N HN 0.183 nan 8.380 nan 0.000 0.432 82 K N -0.174 120.305 120.400 0.131 0.000 2.314 82 K HA 0.106 4.427 4.320 0.002 0.000 0.198 82 K C 0.299 176.963 176.600 0.107 0.000 1.045 82 K CA -0.244 56.106 56.287 0.106 0.000 0.988 82 K CB -0.030 32.519 32.500 0.082 0.000 0.783 82 K HN -0.060 nan 8.250 nan 0.000 0.484 83 F N 0.513 120.422 119.950 -0.069 0.000 2.626 83 F HA 0.150 4.678 4.527 0.002 0.000 0.354 83 F C 0.972 176.665 175.800 -0.177 0.000 1.168 83 F CA 0.337 58.204 58.000 -0.222 0.000 1.368 83 F CB 0.523 39.235 39.000 -0.481 0.000 1.092 83 F HN 0.031 nan 8.300 nan 0.000 0.612 84 G N 5.404 113.669 108.800 -0.892 0.000 3.102 84 G HA2 0.425 4.386 3.960 0.002 0.000 0.345 84 G HA3 0.425 4.386 3.960 0.002 0.000 0.345 84 G C -1.248 173.389 174.900 -0.437 0.000 1.200 84 G CA -0.421 44.398 45.100 -0.468 0.000 1.163 84 G HN 0.397 nan 8.290 nan 0.000 0.465 85 F N 2.273 122.250 119.950 0.045 0.000 2.389 85 F HA 0.293 4.821 4.527 0.002 0.000 0.337 85 F C -0.038 175.868 175.800 0.178 0.000 1.112 85 F CA -1.935 56.204 58.000 0.232 0.000 1.192 85 F CB 1.292 40.553 39.000 0.435 0.000 1.185 85 F HN 0.284 nan 8.300 nan 0.000 0.552 86 P HA -0.148 nan 4.420 nan 0.000 0.217 86 P C -0.274 177.176 177.300 0.249 0.000 1.150 86 P CA 1.300 64.551 63.100 0.251 0.000 0.832 86 P CB 0.204 32.043 31.700 0.233 0.000 0.787 87 D N -1.055 119.547 120.400 0.336 0.000 2.498 87 D HA 0.312 4.953 4.640 0.002 0.000 0.247 87 D C 0.152 176.663 176.300 0.351 0.000 1.070 87 D CA -0.483 53.688 54.000 0.285 0.000 0.842 87 D CB 1.343 42.305 40.800 0.270 0.000 1.361 87 D HN -0.136 nan 8.370 nan 0.000 0.484 88 T N -1.036 113.594 114.554 0.127 0.000 3.231 88 T HA 0.110 4.461 4.350 0.002 0.000 0.292 88 T C 1.305 175.781 174.700 -0.374 0.000 1.001 88 T CA 0.184 62.188 62.100 -0.159 0.000 0.920 88 T CB -0.201 68.635 68.868 -0.053 0.000 1.140 88 T HN 0.247 nan 8.240 nan 0.000 0.525 89 S N 1.679 117.290 115.700 -0.148 0.000 2.461 89 S HA -0.024 4.447 4.470 0.002 0.000 0.228 89 S C 1.719 176.247 174.600 -0.121 0.000 1.005 89 S CA 0.132 58.257 58.200 -0.126 0.000 0.942 89 S CB -1.155 62.041 63.200 -0.006 0.000 0.776 89 S HN 0.648 nan 8.310 nan 0.000 0.514 90 F N 1.686 121.662 119.950 0.043 0.000 2.583 90 F HA 0.252 4.780 4.527 0.002 0.000 0.297 90 F C 0.523 176.388 175.800 0.107 0.000 1.131 90 F CA -0.753 57.270 58.000 0.039 0.000 1.467 90 F CB -1.238 37.753 39.000 -0.016 0.000 1.097 90 F HN 0.467 nan 8.300 nan 0.000 0.586 91 Y N -1.398 118.557 120.300 -0.576 0.000 2.656 91 Y HA 0.459 5.010 4.550 0.002 0.000 0.334 91 Y C -1.480 174.225 175.900 -0.327 0.000 1.179 91 Y CA -1.844 56.044 58.100 -0.353 0.000 1.050 91 Y CB 0.714 38.990 38.460 -0.306 0.000 1.308 91 Y HN -0.149 nan 8.280 nan 0.000 0.456 92 N N 4.133 122.532 118.700 -0.501 0.000 2.527 92 N HA 0.308 5.049 4.740 0.002 0.000 0.236 92 N C -2.147 172.978 175.510 -0.642 0.000 0.999 92 N CA -2.658 50.066 53.050 -0.543 0.000 0.935 92 N CB 1.533 39.872 38.487 -0.248 0.000 1.132 92 N HN 0.577 nan 8.380 nan 0.000 0.511 93 P HA -0.030 nan 4.420 nan 0.000 0.236 93 P C -0.299 176.862 177.300 -0.232 0.000 1.172 93 P CA 0.797 63.585 63.100 -0.521 0.000 0.759 93 P CB 0.658 32.079 31.700 -0.466 0.000 0.843 94 D N -0.670 119.601 120.400 -0.214 0.000 2.369 94 D HA -0.054 4.587 4.640 0.002 0.000 0.231 94 D C 1.997 178.244 176.300 -0.089 0.000 0.967 94 D CA 1.579 55.504 54.000 -0.125 0.000 0.905 94 D CB -0.748 39.983 40.800 -0.116 0.000 1.044 94 D HN 0.200 nan 8.370 nan 0.000 0.487 95 T N -1.653 112.845 114.554 -0.093 0.000 3.051 95 T HA 0.065 4.416 4.350 0.002 0.000 0.255 95 T C 0.962 175.636 174.700 -0.042 0.000 1.085 95 T CA 0.031 62.099 62.100 -0.054 0.000 1.109 95 T CB 0.085 68.926 68.868 -0.045 0.000 0.921 95 T HN 0.204 nan 8.240 nan 0.000 0.488 96 Q N -0.315 119.455 119.800 -0.050 0.000 2.668 96 Q HA 0.724 5.065 4.340 0.002 0.000 0.298 96 Q C -1.134 174.815 176.000 -0.085 0.000 1.071 96 Q CA -1.364 54.419 55.803 -0.034 0.000 0.789 96 Q CB 1.770 30.535 28.738 0.045 0.000 1.497 96 Q HN -0.078 nan 8.270 nan 0.000 0.460 97 R N -0.154 120.188 120.500 -0.263 0.000 2.855 97 R HA 0.650 4.992 4.340 0.002 0.000 0.266 97 R C -0.944 175.050 176.300 -0.509 0.000 1.034 97 R CA -0.828 54.916 56.100 -0.593 0.000 0.944 97 R CB 1.561 30.914 30.300 -1.578 0.000 1.219 97 R HN 0.661 nan 8.270 nan 0.000 0.474 98 L N 0.842 121.751 121.223 -0.524 0.000 2.342 98 L HA 0.745 5.086 4.340 0.002 0.000 0.271 98 L C -0.521 176.239 176.870 -0.183 0.000 1.008 98 L CA -1.133 53.465 54.840 -0.403 0.000 0.818 98 L CB 2.121 43.853 42.059 -0.545 0.000 1.296 98 L HN 0.162 nan 8.230 nan 0.000 0.427 99 V N -0.368 119.433 119.914 -0.187 0.000 2.971 99 V HA 0.388 4.509 4.120 0.002 0.000 0.309 99 V C -1.257 174.718 176.094 -0.198 0.000 1.130 99 V CA -0.858 61.399 62.300 -0.071 0.000 0.964 99 V CB 2.150 34.001 31.823 0.046 0.000 1.029 99 V HN 0.649 nan 8.190 nan 0.000 0.427 100 W N 1.584 122.843 121.300 -0.070 0.000 2.365 100 W HA 0.712 5.373 4.660 0.002 0.000 0.316 100 W C 0.222 176.725 176.519 -0.025 0.000 1.164 100 W CA -0.350 56.957 57.345 -0.063 0.000 1.204 100 W CB 1.548 30.913 29.460 -0.160 0.000 1.213 100 W HN 0.733 nan 8.180 nan 0.000 0.539 101 A N 3.196 126.225 122.820 0.348 0.000 2.318 101 A HA 0.465 4.786 4.320 0.002 0.000 0.317 101 A C -1.018 176.697 177.584 0.219 0.000 1.159 101 A CA -0.663 51.461 52.037 0.144 0.000 0.799 101 A CB 0.722 19.719 19.000 -0.006 0.000 1.194 101 A HN 0.754 nan 8.150 nan 0.000 0.479 102 C N 3.421 122.793 119.300 0.120 0.000 2.566 102 C HA 0.454 4.915 4.460 0.002 0.000 0.393 102 C C 1.109 176.031 174.990 -0.112 0.000 1.309 102 C CA 0.085 59.065 59.018 -0.065 0.000 1.801 102 C CB -1.036 26.741 27.740 0.062 0.000 2.493 102 C HN 0.677 nan 8.230 nan 0.000 0.575 103 V N 5.324 125.146 119.914 -0.153 0.000 3.612 103 V HA 0.402 4.524 4.120 0.002 0.000 0.268 103 V C 1.188 177.314 176.094 0.053 0.000 1.365 103 V CA 0.762 63.046 62.300 -0.026 0.000 1.044 103 V CB -0.024 31.822 31.823 0.038 0.000 0.820 103 V HN 1.032 nan 8.190 nan 0.000 0.444 104 G N -0.213 108.526 108.800 -0.102 0.000 2.766 104 G HA2 0.601 4.562 3.960 0.002 0.000 0.297 104 G HA3 0.601 4.562 3.960 0.002 0.000 0.297 104 G C -1.873 172.825 174.900 -0.337 0.000 1.431 104 G CA -0.278 44.789 45.100 -0.056 0.000 1.042 104 G HN -0.106 nan 8.290 nan 0.000 0.542 105 V N 1.373 121.004 119.914 -0.472 0.000 2.841 105 V HA 0.657 4.779 4.120 0.002 0.000 0.310 105 V C -0.793 174.834 176.094 -0.778 0.000 1.090 105 V CA -0.830 61.106 62.300 -0.606 0.000 0.930 105 V CB 2.244 33.874 31.823 -0.321 0.000 1.014 105 V HN 0.742 nan 8.190 nan 0.000 0.425 106 E N 2.480 122.218 120.200 -0.769 0.000 2.316 106 E HA 0.371 4.722 4.350 0.002 0.000 0.254 106 E C -1.568 174.727 176.600 -0.508 0.000 0.902 106 E CA -0.329 55.667 56.400 -0.673 0.000 0.801 106 E CB 2.284 31.688 29.700 -0.493 0.000 1.270 106 E HN 0.449 nan 8.360 nan 0.000 0.414 107 V N 3.381 123.078 119.914 -0.360 0.000 2.322 107 V HA 0.272 4.393 4.120 0.002 0.000 0.258 107 V C 0.792 176.822 176.094 -0.106 0.000 1.074 107 V CA -0.412 61.807 62.300 -0.134 0.000 0.909 107 V CB 0.821 32.752 31.823 0.180 0.000 1.090 107 V HN 0.620 nan 8.190 nan 0.000 0.486 108 G N 5.552 114.251 108.800 -0.167 0.000 2.403 108 G HA2 0.495 4.456 3.960 0.002 0.000 0.259 108 G HA3 0.495 4.456 3.960 0.002 0.000 0.259 108 G C -0.166 174.605 174.900 -0.215 0.000 1.244 108 G CA -0.521 44.491 45.100 -0.147 0.000 0.849 108 G HN 0.475 nan 8.290 nan 0.000 0.532 109 R N 1.093 121.466 120.500 -0.212 0.000 2.740 109 R HA 0.542 4.883 4.340 0.002 0.000 0.282 109 R C 0.603 176.788 176.300 -0.192 0.000 0.969 109 R CA -0.576 55.325 56.100 -0.331 0.000 0.918 109 R CB 2.111 32.208 30.300 -0.338 0.000 1.175 109 R HN 0.601 nan 8.270 nan 0.000 0.464 110 G N 0.579 109.264 108.800 -0.192 0.000 3.104 110 G HA2 0.008 3.970 3.960 0.002 0.000 0.237 110 G HA3 0.008 3.970 3.960 0.002 0.000 0.237 110 G C 0.114 174.965 174.900 -0.083 0.000 1.035 110 G CA 0.002 45.037 45.100 -0.108 0.000 0.844 110 G HN 0.218 nan 8.290 nan 0.000 0.531 111 Q N 0.758 120.501 119.800 -0.095 0.000 2.199 111 Q HA 0.354 4.696 4.340 0.002 0.000 0.232 111 Q C -2.302 173.668 176.000 -0.050 0.000 0.969 111 Q CA -1.688 54.071 55.803 -0.072 0.000 0.925 111 Q CB 1.448 30.131 28.738 -0.092 0.000 1.198 111 Q HN 0.131 nan 8.270 nan 0.000 0.494 112 P HA 0.131 nan 4.420 nan 0.000 0.274 112 P C -0.473 176.821 177.300 -0.009 0.000 1.237 112 P CA -0.486 62.602 63.100 -0.021 0.000 0.793 112 P CB 0.595 32.284 31.700 -0.019 0.000 0.977 113 L N 1.261 122.488 121.223 0.007 0.000 2.456 113 L HA 0.514 4.856 4.340 0.002 0.000 0.272 113 L C 1.249 178.135 176.870 0.026 0.000 1.189 113 L CA 1.449 56.303 54.840 0.025 0.000 0.846 113 L CB -0.345 41.734 42.059 0.033 0.000 1.111 113 L HN 0.781 nan 8.230 nan 0.000 0.475 114 G N 1.647 110.472 108.800 0.041 0.000 2.489 114 G HA2 0.519 4.481 3.960 0.002 0.000 0.291 114 G HA3 0.519 4.481 3.960 0.002 0.000 0.291 114 G C -2.126 172.812 174.900 0.063 0.000 1.487 114 G CA -0.639 44.487 45.100 0.043 0.000 0.795 114 G HN 0.356 nan 8.290 nan 0.000 0.513 115 V N 0.585 120.535 119.914 0.060 0.000 2.513 115 V HA 0.784 4.905 4.120 0.002 0.000 0.299 115 V C 1.222 177.356 176.094 0.066 0.000 1.035 115 V CA 0.296 62.638 62.300 0.070 0.000 0.889 115 V CB 1.184 33.044 31.823 0.063 0.000 0.988 115 V HN 1.222 nan 8.190 nan 0.000 0.440 116 G N 3.028 111.873 108.800 0.076 0.000 2.624 116 G HA2 0.644 4.605 3.960 0.002 0.000 0.217 116 G HA3 0.644 4.605 3.960 0.002 0.000 0.217 116 G C -0.463 174.452 174.900 0.025 0.000 1.506 116 G CA -0.281 44.858 45.100 0.064 0.000 1.072 116 G HN 0.714 nan 8.290 nan 0.000 0.568 117 I N -1.477 119.095 120.570 0.004 0.000 2.688 117 I HA 0.286 4.457 4.170 0.002 0.000 0.287 117 I C -1.599 174.491 176.117 -0.044 0.000 1.707 117 I CA -0.331 60.936 61.300 -0.055 0.000 1.043 117 I CB 1.311 39.313 38.000 0.004 0.000 1.540 117 I HN 0.511 nan 8.210 nan 0.000 0.463 118 S N 4.247 119.771 115.700 -0.294 0.000 2.548 118 S HA 0.981 5.453 4.470 0.002 0.000 0.286 118 S C -0.177 174.207 174.600 -0.360 0.000 1.098 118 S CA -0.228 57.720 58.200 -0.421 0.000 0.930 118 S CB 2.118 64.931 63.200 -0.645 0.000 1.070 118 S HN 0.991 nan 8.310 nan 0.000 0.480 119 G N 0.654 109.220 108.800 -0.389 0.000 2.911 119 G HA2 0.645 4.607 3.960 0.002 0.000 0.299 119 G HA3 0.645 4.607 3.960 0.002 0.000 0.299 119 G C -2.022 172.796 174.900 -0.137 0.000 1.283 119 G CA -0.352 44.650 45.100 -0.164 0.000 0.805 119 G HN 0.633 nan 8.290 nan 0.000 0.548 120 H N -0.444 118.562 119.070 -0.107 0.000 3.042 120 H HA 0.394 4.951 4.556 0.002 0.000 0.345 120 H C -2.259 173.044 175.328 -0.041 0.000 1.052 120 H CA -1.454 54.544 56.048 -0.083 0.000 1.311 120 H CB 2.847 32.554 29.762 -0.092 0.000 1.810 120 H HN 0.116 nan 8.280 nan 0.000 0.505 121 P HA 0.012 nan 4.420 nan 0.000 0.220 121 P C 0.274 177.675 177.300 0.168 0.000 1.148 121 P CA 1.028 64.237 63.100 0.182 0.000 0.803 121 P CB 0.460 32.230 31.700 0.117 0.000 0.782 122 L N -1.167 120.209 121.223 0.256 0.000 2.783 122 L HA 0.285 4.627 4.340 0.002 0.000 0.265 122 L C -0.261 176.351 176.870 -0.431 0.000 1.398 122 L CA -0.808 53.977 54.840 -0.090 0.000 0.802 122 L CB 0.573 42.600 42.059 -0.053 0.000 1.126 122 L HN -0.096 nan 8.230 nan 0.000 0.529 123 L N 1.143 122.200 121.223 -0.277 0.000 2.410 123 L HA 0.220 4.561 4.340 0.002 0.000 0.273 123 L C 0.786 177.545 176.870 -0.185 0.000 1.152 123 L CA 0.262 54.937 54.840 -0.275 0.000 0.855 123 L CB 0.597 42.623 42.059 -0.055 0.000 1.129 123 L HN 0.231 nan 8.230 nan 0.000 0.463 124 N N 4.877 123.448 118.700 -0.217 0.000 2.605 124 N HA 0.039 4.780 4.740 0.002 0.000 0.282 124 N C -1.021 174.476 175.510 -0.022 0.000 1.206 124 N CA 0.286 53.250 53.050 -0.144 0.000 1.074 124 N CB -0.223 38.158 38.487 -0.177 0.000 1.434 124 N HN 0.422 nan 8.380 nan 0.000 0.506 125 K N 4.691 125.106 120.400 0.024 0.000 2.604 125 K HA 0.117 4.438 4.320 0.002 0.000 0.247 125 K C 0.002 176.569 176.600 -0.054 0.000 0.956 125 K CA -0.572 55.772 56.287 0.094 0.000 0.896 125 K CB 0.924 33.392 32.500 -0.053 0.000 1.131 125 K HN 0.293 nan 8.250 nan 0.000 0.440 126 L N 3.871 125.093 121.223 -0.001 0.000 1.893 126 L HA 0.058 4.399 4.340 0.002 0.000 0.218 126 L C -0.069 176.737 176.870 -0.107 0.000 1.124 126 L CA 1.803 56.613 54.840 -0.050 0.000 0.850 126 L CB -0.192 41.853 42.059 -0.023 0.000 0.904 126 L HN 0.779 nan 8.230 nan 0.000 0.462 127 D N -1.873 118.479 120.400 -0.080 0.000 2.467 127 D HA 0.246 4.887 4.640 0.002 0.000 0.245 127 D C -1.192 175.080 176.300 -0.047 0.000 1.038 127 D CA -0.686 53.257 54.000 -0.095 0.000 1.038 127 D CB 0.346 41.102 40.800 -0.073 0.000 1.278 127 D HN 0.097 nan 8.370 nan 0.000 0.564 128 D N -0.129 120.261 120.400 -0.015 0.000 2.336 128 D HA 0.089 4.730 4.640 0.002 0.000 0.249 128 D C 0.546 176.925 176.300 0.132 0.000 1.213 128 D CA -0.046 54.043 54.000 0.148 0.000 0.870 128 D CB 0.812 41.679 40.800 0.112 0.000 1.076 128 D HN 0.477 nan 8.370 nan 0.000 0.483 129 T N 0.089 114.751 114.554 0.180 0.000 3.122 129 T HA 0.037 4.388 4.350 0.002 0.000 0.250 129 T C 1.227 175.955 174.700 0.047 0.000 1.067 129 T CA -0.149 62.023 62.100 0.119 0.000 0.966 129 T CB 0.155 69.159 68.868 0.226 0.000 1.002 129 T HN 0.459 nan 8.240 nan 0.000 0.542 130 E N 1.572 121.804 120.200 0.054 0.000 2.208 130 E HA -0.064 4.288 4.350 0.002 0.000 0.193 130 E C 0.151 176.759 176.600 0.013 0.000 0.988 130 E CA 0.361 56.767 56.400 0.009 0.000 0.828 130 E CB 0.209 29.930 29.700 0.034 0.000 0.763 130 E HN 0.483 nan 8.360 nan 0.000 0.478 131 N N -0.639 118.081 118.700 0.033 0.000 2.999 131 N HA 0.214 4.955 4.740 0.002 0.000 0.244 131 N C -2.134 173.395 175.510 0.032 0.000 1.106 131 N CA 0.035 53.101 53.050 0.027 0.000 1.018 131 N CB 1.428 39.932 38.487 0.028 0.000 1.600 131 N HN 0.093 nan 8.380 nan 0.000 0.621 132 A N 1.743 124.579 122.820 0.027 0.000 2.393 132 A HA 0.599 4.920 4.320 0.002 0.000 0.306 132 A C 0.733 178.337 177.584 0.034 0.000 1.050 132 A CA -0.111 51.941 52.037 0.024 0.000 0.724 132 A CB 0.951 19.955 19.000 0.006 0.000 1.248 132 A HN 0.735 nan 8.150 nan 0.000 0.424 133 S N 0.637 116.356 115.700 0.032 0.000 2.501 133 S HA 0.517 4.988 4.470 0.002 0.000 0.220 133 S C 0.722 175.353 174.600 0.051 0.000 0.997 133 S CA 0.648 58.870 58.200 0.038 0.000 0.919 133 S CB -0.008 63.209 63.200 0.029 0.000 0.778 133 S HN 2.004 nan 8.310 nan 0.000 0.523 134 A N 0.085 122.940 122.820 0.059 0.000 2.606 134 A HA 0.617 4.938 4.320 0.002 0.000 0.293 134 A C -1.546 176.110 177.584 0.120 0.000 1.082 134 A CA -0.818 51.274 52.037 0.091 0.000 0.685 134 A CB 0.301 19.343 19.000 0.070 0.000 1.284 134 A HN 0.182 nan 8.150 nan 0.000 0.408 135 Y N 1.625 121.936 120.300 0.017 0.000 2.632 135 Y HA 0.354 4.904 4.550 0.001 0.000 0.329 135 Y C 1.112 177.020 175.900 0.013 0.000 1.174 135 Y CA 0.995 59.105 58.100 0.017 0.000 1.469 135 Y CB 0.462 38.932 38.460 0.015 0.000 1.242 135 Y HN 0.970 nan 8.280 nan 0.000 0.540 136 A N 4.898 127.587 122.820 -0.218 0.000 2.507 136 A HA 0.401 4.722 4.320 0.002 0.000 0.235 136 A C 0.984 178.545 177.584 -0.038 0.000 1.070 136 A CA 0.067 52.026 52.037 -0.130 0.000 0.768 136 A CB -0.374 18.509 19.000 -0.194 0.000 1.011 136 A HN 1.117 nan 8.150 nan 0.000 0.502 137 A N 1.979 124.791 122.820 -0.013 0.000 3.291 137 A HA 0.119 4.440 4.320 0.002 0.000 0.157 137 A C 0.733 178.329 177.584 0.020 0.000 0.779 137 A CA 1.568 53.614 52.037 0.015 0.000 1.190 137 A CB -0.441 18.560 19.000 0.001 0.000 0.838 137 A HN 0.963 nan 8.150 nan 0.000 0.524 138 N N -2.634 116.070 118.700 0.007 0.000 2.369 138 N HA 0.489 5.230 4.740 0.002 0.000 0.287 138 N C -1.048 174.458 175.510 -0.007 0.000 1.067 138 N CA -0.132 52.922 53.050 0.008 0.000 0.888 138 N CB 1.785 40.285 38.487 0.021 0.000 1.616 138 N HN 0.803 nan 8.380 nan 0.000 0.482 139 A N 1.508 124.320 122.820 -0.013 0.000 2.545 139 A HA 0.376 4.697 4.320 0.002 0.000 0.253 139 A C 0.963 178.538 177.584 -0.015 0.000 1.074 139 A CA 0.608 52.633 52.037 -0.020 0.000 0.760 139 A CB -0.225 18.761 19.000 -0.023 0.000 1.005 139 A HN 0.761 nan 8.150 nan 0.000 0.506 140 G N 1.004 109.794 108.800 -0.017 0.000 3.372 140 G HA2 0.451 4.412 3.960 0.002 0.000 0.178 140 G HA3 0.451 4.412 3.960 0.002 0.000 0.178 140 G C -0.254 174.636 174.900 -0.017 0.000 1.817 140 G CA 0.262 45.353 45.100 -0.014 0.000 0.996 140 G HN 0.966 nan 8.290 nan 0.000 0.559 141 V N 1.016 120.919 119.914 -0.018 0.000 2.409 141 V HA 0.428 4.549 4.120 0.002 0.000 0.291 141 V C -0.630 175.449 176.094 -0.025 0.000 1.020 141 V CA -0.465 61.823 62.300 -0.020 0.000 0.848 141 V CB 1.214 33.027 31.823 -0.017 0.000 0.990 141 V HN 0.735 nan 8.190 nan 0.000 0.430 142 D N 3.898 124.280 120.400 -0.031 0.000 3.908 142 D HA -0.181 4.460 4.640 0.002 0.000 0.237 142 D C 0.305 176.581 176.300 -0.039 0.000 1.091 142 D CA 0.645 54.623 54.000 -0.037 0.000 1.147 142 D CB -0.438 40.343 40.800 -0.033 0.000 0.857 142 D HN 0.853 nan 8.370 nan 0.000 0.410 143 N N 1.608 120.281 118.700 -0.046 0.000 2.238 143 N HA 0.103 4.845 4.740 0.002 0.000 0.222 143 N C 0.097 175.570 175.510 -0.062 0.000 1.133 143 N CA -0.369 52.651 53.050 -0.050 0.000 0.854 143 N CB 0.448 38.905 38.487 -0.049 0.000 1.041 143 N HN 0.260 nan 8.380 nan 0.000 0.510 144 R N 1.236 121.696 120.500 -0.067 0.000 2.698 144 R HA 0.074 4.415 4.340 0.002 0.000 0.266 144 R C 0.043 176.300 176.300 -0.071 0.000 1.026 144 R CA 0.441 56.492 56.100 -0.083 0.000 1.102 144 R CB 0.437 30.675 30.300 -0.104 0.000 0.978 144 R HN 0.186 nan 8.270 nan 0.000 0.436 145 E N 1.018 121.172 120.200 -0.077 0.000 2.299 145 E HA 0.128 4.479 4.350 0.002 0.000 0.265 145 E C -0.885 175.697 176.600 -0.030 0.000 0.911 145 E CA -0.828 55.535 56.400 -0.063 0.000 0.789 145 E CB 2.176 31.816 29.700 -0.101 0.000 1.246 145 E HN 0.521 nan 8.360 nan 0.000 0.427 146 C N 3.487 122.783 119.300 -0.007 0.000 2.383 146 C HA 0.490 4.951 4.460 0.002 0.000 0.350 146 C C -0.114 174.891 174.990 0.026 0.000 1.173 146 C CA -0.201 58.833 59.018 0.027 0.000 1.645 146 C CB -2.158 25.599 27.740 0.030 0.000 2.221 146 C HN 0.418 nan 8.230 nan 0.000 0.528 147 I N 6.226 126.825 120.570 0.048 0.000 2.582 147 I HA 0.445 4.617 4.170 0.002 0.000 0.292 147 I C 0.125 176.291 176.117 0.080 0.000 1.066 147 I CA -0.019 61.322 61.300 0.069 0.000 1.053 147 I CB 2.478 40.535 38.000 0.095 0.000 1.241 147 I HN 0.693 nan 8.210 nan 0.000 0.421 148 S N 6.525 122.269 115.700 0.073 0.000 2.677 148 S HA 0.945 5.416 4.470 0.002 0.000 0.304 148 S C -0.603 174.034 174.600 0.061 0.000 1.108 148 S CA -0.750 57.470 58.200 0.034 0.000 0.944 148 S CB 2.526 65.731 63.200 0.009 0.000 1.127 148 S HN 0.702 nan 8.310 nan 0.000 0.511 149 M N -0.171 119.423 119.600 -0.011 0.000 2.682 149 M HA 0.483 4.964 4.480 0.002 0.000 0.272 149 M C -2.411 173.828 176.300 -0.103 0.000 1.232 149 M CA -0.771 54.535 55.300 0.009 0.000 0.849 149 M CB 2.054 34.723 32.600 0.116 0.000 1.695 149 M HN 0.702 nan 8.290 nan 0.000 0.481 150 D N 1.802 122.174 120.400 -0.048 0.000 2.373 150 D HA 0.327 4.968 4.640 0.002 0.000 0.227 150 D C -0.786 175.544 176.300 0.051 0.000 1.091 150 D CA -0.239 53.734 54.000 -0.044 0.000 0.840 150 D CB 0.639 41.434 40.800 -0.008 0.000 1.060 150 D HN 0.670 nan 8.370 nan 0.000 0.502 151 Y N 1.108 121.430 120.300 0.038 0.000 2.554 151 Y HA -0.151 4.401 4.550 0.002 0.000 0.353 151 Y C 1.687 177.590 175.900 0.005 0.000 1.269 151 Y CA -0.531 57.593 58.100 0.040 0.000 1.494 151 Y CB 0.788 39.290 38.460 0.069 0.000 1.365 151 Y HN 0.358 nan 8.280 nan 0.000 0.664 152 K N 2.191 122.693 120.400 0.170 0.000 2.350 152 K HA 0.066 4.387 4.320 0.002 0.000 0.279 152 K C -0.610 176.050 176.600 0.100 0.000 1.027 152 K CA -0.580 55.752 56.287 0.075 0.000 0.969 152 K CB 0.806 33.322 32.500 0.026 0.000 0.954 152 K HN 0.618 nan 8.250 nan 0.000 0.474 153 Q N 2.205 122.060 119.800 0.091 0.000 2.313 153 Q HA 0.094 4.435 4.340 0.002 0.000 0.266 153 Q C -1.149 174.909 176.000 0.096 0.000 0.989 153 Q CA 0.246 56.109 55.803 0.100 0.000 0.890 153 Q CB 0.930 29.726 28.738 0.096 0.000 1.200 153 Q HN 0.731 nan 8.270 nan 0.000 0.396 154 T N 4.625 119.241 114.554 0.105 0.000 2.971 154 T HA 0.329 4.680 4.350 0.002 0.000 0.304 154 T C -1.347 173.434 174.700 0.135 0.000 1.038 154 T CA -0.662 61.502 62.100 0.107 0.000 1.007 154 T CB 1.478 70.398 68.868 0.087 0.000 1.055 154 T HN 0.583 nan 8.240 nan 0.000 0.451 155 Q N 2.505 122.388 119.800 0.139 0.000 2.292 155 Q HA 0.726 5.068 4.340 0.002 0.000 0.270 155 Q C -1.337 174.758 176.000 0.158 0.000 1.024 155 Q CA -1.008 54.915 55.803 0.199 0.000 0.768 155 Q CB 2.398 31.183 28.738 0.078 0.000 1.250 155 Q HN 0.618 nan 8.270 nan 0.000 0.447 156 L N -0.872 120.507 121.223 0.261 0.000 2.582 156 L HA 0.891 5.232 4.340 0.002 0.000 0.257 156 L C -1.614 175.436 176.870 0.299 0.000 0.974 156 L CA -0.766 54.196 54.840 0.202 0.000 0.851 156 L CB 2.036 44.202 42.059 0.179 0.000 1.424 156 L HN 0.658 nan 8.230 nan 0.000 0.412 157 C N 2.778 122.207 119.300 0.215 0.000 2.607 157 C HA 0.822 5.283 4.460 0.002 0.000 0.350 157 C C -1.182 173.905 174.990 0.162 0.000 1.101 157 C CA -0.446 58.733 59.018 0.267 0.000 1.282 157 C CB 0.403 28.344 27.740 0.335 0.000 1.825 157 C HN 0.886 nan 8.230 nan 0.000 0.460 158 L N 7.052 128.388 121.223 0.188 0.000 2.346 158 L HA 0.765 5.106 4.340 0.002 0.000 0.276 158 L C -0.481 176.495 176.870 0.178 0.000 1.006 158 L CA -0.632 54.286 54.840 0.130 0.000 0.817 158 L CB 1.538 43.616 42.059 0.032 0.000 1.272 158 L HN 0.450 nan 8.230 nan 0.000 0.421 159 I N 1.690 122.361 120.570 0.170 0.000 2.533 159 I HA 0.837 5.008 4.170 0.002 0.000 0.290 159 I C 0.210 176.123 176.117 -0.340 0.000 1.056 159 I CA -0.232 61.143 61.300 0.126 0.000 1.057 159 I CB 1.668 39.903 38.000 0.391 0.000 1.240 159 I HN 0.770 nan 8.210 nan 0.000 0.423 160 G N 2.889 111.376 108.800 -0.522 0.000 2.495 160 G HA2 0.365 4.326 3.960 0.002 0.000 0.294 160 G HA3 0.365 4.326 3.960 0.002 0.000 0.294 160 G C -0.220 174.477 174.900 -0.339 0.000 1.397 160 G CA -0.173 44.304 45.100 -1.037 0.000 0.790 160 G HN 0.721 nan 8.290 nan 0.000 0.486 161 C N -1.076 118.185 119.300 -0.065 0.000 2.855 161 C HA 0.632 5.093 4.460 0.002 0.000 0.279 161 C C 0.190 175.357 174.990 0.296 0.000 1.270 161 C CA -0.865 58.308 59.018 0.257 0.000 1.702 161 C CB -1.274 26.695 27.740 0.382 0.000 1.949 161 C HN 0.343 nan 8.230 nan 0.000 0.618 162 K N 1.979 122.435 120.400 0.094 0.000 2.385 162 K HA 0.581 4.902 4.320 0.002 0.000 0.248 162 K C -2.937 173.246 176.600 -0.695 0.000 0.955 162 K CA -1.826 54.372 56.287 -0.149 0.000 0.816 162 K CB 1.861 34.302 32.500 -0.099 0.000 1.250 162 K HN -0.015 nan 8.250 nan 0.000 0.434 163 P HA 0.093 nan 4.420 nan 0.000 0.269 163 P C -2.441 174.466 177.300 -0.656 0.000 1.215 163 P CA -0.941 61.281 63.100 -1.463 0.000 0.780 163 P CB -0.342 30.686 31.700 -1.119 0.000 0.898 164 P HA 0.273 nan 4.420 nan 0.000 0.275 164 P C -0.478 176.620 177.300 -0.337 0.000 1.228 164 P CA 0.142 63.039 63.100 -0.339 0.000 0.786 164 P CB 0.678 32.217 31.700 -0.268 0.000 0.927 165 I N 1.397 121.779 120.570 -0.313 0.000 2.433 165 I HA 0.525 4.696 4.170 0.002 0.000 0.292 165 I C 0.933 176.873 176.117 -0.296 0.000 1.001 165 I CA -0.336 60.795 61.300 -0.280 0.000 1.119 165 I CB 2.031 39.896 38.000 -0.224 0.000 1.289 165 I HN 0.390 nan 8.210 nan 0.000 0.438 166 G N 4.104 112.750 108.800 -0.255 0.000 2.644 166 G HA2 0.774 4.735 3.960 0.002 0.000 0.307 166 G HA3 0.774 4.735 3.960 0.002 0.000 0.307 166 G C -1.348 173.481 174.900 -0.119 0.000 1.250 166 G CA -0.445 44.522 45.100 -0.221 0.000 0.996 166 G HN 0.660 nan 8.290 nan 0.000 0.489 167 E N -0.856 119.306 120.200 -0.063 0.000 2.317 167 E HA 0.655 5.006 4.350 0.002 0.000 0.270 167 E C -1.303 175.296 176.600 -0.002 0.000 0.885 167 E CA -1.022 55.323 56.400 -0.091 0.000 0.760 167 E CB 2.384 31.989 29.700 -0.159 0.000 1.227 167 E HN 0.771 nan 8.360 nan 0.000 0.434 168 H N 0.174 119.100 119.070 -0.240 0.000 3.037 168 H HA 0.241 4.798 4.556 0.002 0.000 0.336 168 H C -1.932 173.215 175.328 -0.301 0.000 1.323 168 H CA -1.190 54.739 56.048 -0.198 0.000 1.159 168 H CB 0.174 29.900 29.762 -0.061 0.000 1.882 168 H HN 0.654 nan 8.280 nan 0.000 0.535 169 W N 1.361 122.602 121.300 -0.098 0.000 2.316 169 W HA 0.593 5.254 4.660 0.002 0.000 0.311 169 W C 0.638 177.094 176.519 -0.105 0.000 1.217 169 W CA 0.286 57.536 57.345 -0.157 0.000 1.199 169 W CB 1.763 31.165 29.460 -0.097 0.000 1.202 169 W HN 0.881 nan 8.180 nan 0.000 0.528 170 G N 1.582 110.423 108.800 0.068 0.000 3.105 170 G HA2 0.400 4.361 3.960 0.002 0.000 0.277 170 G HA3 0.400 4.361 3.960 0.002 0.000 0.277 170 G C -1.495 173.451 174.900 0.077 0.000 1.375 170 G CA -1.071 44.080 45.100 0.085 0.000 0.962 170 G HN 0.254 nan 8.290 nan 0.000 0.541 171 K N 0.656 121.089 120.400 0.056 0.000 2.284 171 K HA 0.399 4.720 4.320 0.002 0.000 0.287 171 K C 0.670 177.290 176.600 0.033 0.000 1.081 171 K CA -0.271 56.040 56.287 0.040 0.000 0.910 171 K CB 0.168 32.685 32.500 0.028 0.000 1.088 171 K HN 0.539 nan 8.250 nan 0.000 0.478 172 G N 1.917 110.739 108.800 0.037 0.000 2.667 172 G HA2 0.001 3.962 3.960 0.002 0.000 0.250 172 G HA3 0.001 3.962 3.960 0.002 0.000 0.250 172 G C -0.296 174.614 174.900 0.018 0.000 1.212 172 G CA -0.572 44.545 45.100 0.028 0.000 0.874 172 G HN 0.692 nan 8.290 nan 0.000 0.561 173 S N 1.404 117.112 115.700 0.013 0.000 2.548 173 S HA 0.474 4.945 4.470 0.002 0.000 0.277 173 S C -1.671 172.935 174.600 0.009 0.000 1.315 173 S CA -0.981 57.225 58.200 0.009 0.000 1.050 173 S CB 1.307 64.510 63.200 0.006 0.000 0.918 173 S HN 0.621 nan 8.310 nan 0.000 0.497 174 P HA 0.291 nan 4.420 nan 0.000 0.277 174 P C -0.571 176.732 177.300 0.004 0.000 1.240 174 P CA -0.650 62.453 63.100 0.005 0.000 0.798 174 P CB 0.524 32.227 31.700 0.004 0.000 0.979 175 C N 1.281 120.583 119.300 0.004 0.000 2.593 175 C HA 0.141 4.602 4.460 0.002 0.000 0.409 175 C C 1.150 176.141 174.990 0.002 0.000 1.304 175 C CA 0.201 59.221 59.018 0.004 0.000 2.007 175 C CB -0.532 27.211 27.740 0.004 0.000 2.614 175 C HN 0.556 nan 8.230 nan 0.000 0.585 176 T N 5.328 119.883 114.554 0.002 0.000 3.462 176 T HA 0.168 4.519 4.350 0.002 0.000 0.257 176 T C 0.195 174.896 174.700 0.001 0.000 1.015 176 T CA 0.556 62.657 62.100 0.001 0.000 1.135 176 T CB -0.234 68.635 68.868 0.001 0.000 1.061 176 T HN 0.781 nan 8.240 nan 0.000 0.772 177 Q N 0.322 120.122 119.800 0.001 0.000 2.604 177 Q HA 0.308 4.649 4.340 0.002 0.000 0.352 177 Q C -0.293 175.707 176.000 0.000 0.000 0.841 177 Q CA -0.793 55.011 55.803 0.001 0.000 0.752 177 Q CB 0.526 29.265 28.738 0.001 0.000 3.018 177 Q HN 0.308 nan 8.270 nan 0.000 0.247 178 V N 2.723 122.637 119.914 0.000 0.000 2.536 178 V HA 0.120 4.241 4.120 0.002 0.000 0.287 178 V C 0.123 176.216 176.094 -0.000 0.000 0.979 178 V CA 0.243 62.543 62.300 0.000 0.000 1.161 178 V CB -0.898 30.924 31.823 -0.000 0.000 0.915 178 V HN 0.531 nan 8.190 nan 0.000 0.467 179 A N 5.854 128.674 122.820 -0.000 0.000 2.522 179 A HA 0.346 4.667 4.320 0.002 0.000 0.256 179 A C 0.365 177.948 177.584 -0.001 0.000 1.086 179 A CA -0.320 51.717 52.037 -0.001 0.000 0.763 179 A CB -0.070 18.929 19.000 -0.001 0.000 1.024 179 A HN 0.886 nan 8.150 nan 0.000 0.502 180 V N 5.419 125.332 119.914 -0.001 0.000 2.479 180 V HA -0.066 4.055 4.120 0.002 0.000 0.284 180 V C 0.647 176.740 176.094 -0.002 0.000 0.981 180 V CA 0.242 62.541 62.300 -0.002 0.000 1.139 180 V CB -0.734 31.088 31.823 -0.001 0.000 0.947 180 V HN 0.862 nan 8.190 nan 0.000 0.468 181 Q N 6.112 125.911 119.800 -0.003 0.000 2.352 181 Q HA 0.234 4.575 4.340 0.002 0.000 0.260 181 Q C -2.172 173.825 176.000 -0.004 0.000 0.976 181 Q CA -1.925 53.877 55.803 -0.003 0.000 0.881 181 Q CB 0.372 29.109 28.738 -0.003 0.000 1.235 181 Q HN 0.463 nan 8.270 nan 0.000 0.419 182 P HA -0.029 nan 4.420 nan 0.000 0.264 182 P C 0.667 177.964 177.300 -0.006 0.000 1.183 182 P CA 1.109 64.206 63.100 -0.005 0.000 0.763 182 P CB 0.384 32.081 31.700 -0.005 0.000 0.807 183 G N 1.717 110.513 108.800 -0.007 0.000 2.225 183 G HA2 -0.225 3.736 3.960 0.002 0.000 0.254 183 G HA3 -0.225 3.736 3.960 0.002 0.000 0.254 183 G C 0.086 174.981 174.900 -0.009 0.000 0.988 183 G CA -0.131 44.964 45.100 -0.008 0.000 0.625 183 G HN 0.512 nan 8.290 nan 0.000 0.527 184 D N 0.126 120.522 120.400 -0.007 0.000 2.449 184 D HA 0.322 4.964 4.640 0.002 0.000 0.236 184 D C 1.132 177.426 176.300 -0.010 0.000 1.149 184 D CA 0.105 54.100 54.000 -0.008 0.000 0.878 184 D CB 0.798 41.594 40.800 -0.006 0.000 1.198 184 D HN 0.435 nan 8.370 nan 0.000 0.446 185 C N 4.819 124.112 119.300 -0.012 0.000 2.634 185 C HA 0.238 4.699 4.460 0.002 0.000 0.418 185 C C -1.814 173.167 174.990 -0.014 0.000 1.373 185 C CA -1.276 57.732 59.018 -0.016 0.000 1.756 185 C CB -0.618 27.109 27.740 -0.022 0.000 2.589 185 C HN 0.444 nan 8.230 nan 0.000 0.602 186 P HA 0.326 nan 4.420 nan 0.000 0.278 186 P C -2.647 174.647 177.300 -0.009 0.000 1.238 186 P CA -0.982 62.113 63.100 -0.008 0.000 0.794 186 P CB 0.430 32.128 31.700 -0.004 0.000 0.955 187 P HA 0.183 nan 4.420 nan 0.000 0.275 187 P C -0.461 176.852 177.300 0.022 0.000 1.227 187 P CA -0.204 62.898 63.100 0.004 0.000 0.781 187 P CB 0.674 32.380 31.700 0.010 0.000 0.906 188 L N 1.941 123.181 121.223 0.027 0.000 2.416 188 L HA 0.523 4.864 4.340 0.002 0.000 0.262 188 L C 0.701 177.687 176.870 0.193 0.000 1.093 188 L CA -0.017 54.884 54.840 0.102 0.000 0.801 188 L CB 0.191 42.256 42.059 0.010 0.000 1.191 188 L HN 0.605 nan 8.230 nan 0.000 0.459 189 E N 1.406 121.788 120.200 0.303 0.000 2.406 189 E HA 0.152 4.503 4.350 0.002 0.000 0.297 189 E C -1.830 174.765 176.600 -0.009 0.000 0.917 189 E CA -0.700 55.802 56.400 0.170 0.000 0.795 189 E CB 2.161 31.887 29.700 0.043 0.000 1.285 189 E HN 0.357 nan 8.360 nan 0.000 0.400 190 L N 5.858 126.911 121.223 -0.283 0.000 2.418 190 L HA 0.369 4.711 4.340 0.002 0.000 0.274 190 L C -0.771 175.813 176.870 -0.476 0.000 1.135 190 L CA 0.435 54.813 54.840 -0.770 0.000 0.870 190 L CB 0.257 41.754 42.059 -0.938 0.000 1.154 190 L HN 0.460 nan 8.230 nan 0.000 0.462 191 I N 5.428 125.646 120.570 -0.586 0.000 2.362 191 I HA 0.307 4.478 4.170 0.002 0.000 0.289 191 I C -0.117 175.813 176.117 -0.313 0.000 0.994 191 I CA -0.631 60.409 61.300 -0.432 0.000 1.158 191 I CB 1.117 38.830 38.000 -0.478 0.000 1.315 191 I HN 0.531 nan 8.210 nan 0.000 0.451 192 N N 3.932 122.526 118.700 -0.177 0.000 2.514 192 N HA 0.334 5.075 4.740 0.002 0.000 0.277 192 N C -0.310 175.170 175.510 -0.051 0.000 1.126 192 N CA 0.204 53.184 53.050 -0.116 0.000 0.978 192 N CB 1.789 40.209 38.487 -0.112 0.000 1.106 192 N HN 0.637 nan 8.380 nan 0.000 0.461 193 T N -0.419 114.110 114.554 -0.042 0.000 2.812 193 T HA 0.451 4.803 4.350 0.002 0.000 0.294 193 T C -1.090 173.535 174.700 -0.125 0.000 1.159 193 T CA -0.579 61.503 62.100 -0.030 0.000 1.008 193 T CB 0.866 69.757 68.868 0.038 0.000 1.289 193 T HN -0.001 nan 8.240 nan 0.000 0.514 194 V N 3.149 122.968 119.914 -0.158 0.000 2.465 194 V HA 0.432 4.553 4.120 0.002 0.000 0.279 194 V C 0.358 176.295 176.094 -0.260 0.000 1.045 194 V CA -0.679 61.438 62.300 -0.305 0.000 0.938 194 V CB 1.033 32.471 31.823 -0.642 0.000 0.986 194 V HN 0.711 nan 8.190 nan 0.000 0.467 195 I N 5.619 126.010 120.570 -0.299 0.000 2.421 195 I HA 0.180 4.352 4.170 0.002 0.000 0.291 195 I C 0.540 176.541 176.117 -0.195 0.000 1.089 195 I CA 0.215 61.310 61.300 -0.341 0.000 1.354 195 I CB 0.248 37.924 38.000 -0.539 0.000 1.413 195 I HN 0.652 nan 8.210 nan 0.000 0.513 196 Q N 4.081 123.793 119.800 -0.147 0.000 2.205 196 Q HA 0.224 4.565 4.340 0.002 0.000 0.249 196 Q C -0.594 175.405 176.000 -0.000 0.000 0.948 196 Q CA -0.901 54.863 55.803 -0.065 0.000 0.895 196 Q CB 1.652 30.323 28.738 -0.113 0.000 1.249 196 Q HN 0.476 nan 8.270 nan 0.000 0.458 197 D N -0.574 119.864 120.400 0.063 0.000 2.434 197 D HA 0.227 4.868 4.640 0.002 0.000 0.252 197 D C 0.744 177.074 176.300 0.049 0.000 1.185 197 D CA 1.774 55.822 54.000 0.080 0.000 0.886 197 D CB 0.127 40.999 40.800 0.121 0.000 1.148 197 D HN 0.680 nan 8.370 nan 0.000 0.483 198 G N 3.351 112.200 108.800 0.082 0.000 2.218 198 G HA2 -0.226 3.735 3.960 0.002 0.000 0.216 198 G HA3 -0.226 3.735 3.960 0.002 0.000 0.216 198 G C 0.291 175.249 174.900 0.098 0.000 0.994 198 G CA -0.068 45.078 45.100 0.076 0.000 0.637 198 G HN 0.610 nan 8.290 nan 0.000 0.505 199 D N 0.974 121.440 120.400 0.109 0.000 2.362 199 D HA 0.426 5.067 4.640 0.002 0.000 0.238 199 D C 1.141 177.593 176.300 0.253 0.000 1.212 199 D CA 0.385 54.458 54.000 0.122 0.000 0.902 199 D CB 0.307 41.117 40.800 0.017 0.000 1.180 199 D HN 0.108 nan 8.370 nan 0.000 0.445 200 M N 0.729 120.463 119.600 0.224 0.000 2.423 200 M HA 0.301 4.782 4.480 0.002 0.000 0.335 200 M C -0.282 176.198 176.300 0.300 0.000 1.177 200 M CA -0.920 54.506 55.300 0.211 0.000 1.038 200 M CB 1.455 34.131 32.600 0.127 0.000 1.641 200 M HN -0.024 nan 8.290 nan 0.000 0.455 201 V N 1.615 121.605 119.914 0.127 0.000 2.716 201 V HA 0.203 4.325 4.120 0.002 0.000 0.304 201 V C 0.216 176.370 176.094 0.100 0.000 1.053 201 V CA -1.142 61.206 62.300 0.080 0.000 0.984 201 V CB 1.379 33.088 31.823 -0.190 0.000 1.021 201 V HN 0.910 nan 8.190 nan 0.000 0.467 202 D N 1.779 122.286 120.400 0.179 0.000 2.533 202 D HA -0.065 4.576 4.640 0.002 0.000 0.236 202 D C 0.816 177.127 176.300 0.018 0.000 1.137 202 D CA 0.498 54.587 54.000 0.147 0.000 0.867 202 D CB 1.291 42.189 40.800 0.164 0.000 1.170 202 D HN 0.785 nan 8.370 nan 0.000 0.474 203 T N -1.454 113.052 114.554 -0.080 0.000 3.044 203 T HA 0.465 4.816 4.350 0.002 0.000 0.260 203 T C 1.275 175.900 174.700 -0.125 0.000 1.019 203 T CA 0.126 62.042 62.100 -0.307 0.000 0.921 203 T CB 0.367 68.511 68.868 -1.207 0.000 1.053 203 T HN 0.796 nan 8.240 nan 0.000 0.533 204 G N 0.887 109.667 108.800 -0.034 0.000 2.485 204 G HA2 -0.090 3.871 3.960 0.002 0.000 0.181 204 G HA3 -0.090 3.871 3.960 0.002 0.000 0.181 204 G C 0.171 174.897 174.900 -0.290 0.000 0.999 204 G CA -0.382 44.625 45.100 -0.155 0.000 0.721 204 G HN 0.429 nan 8.290 nan 0.000 0.486 205 F N 2.157 122.156 119.950 0.082 0.000 2.647 205 F HA 0.526 5.054 4.527 0.002 0.000 0.300 205 F C 1.582 177.522 175.800 0.234 0.000 1.106 205 F CA 0.560 58.676 58.000 0.194 0.000 1.313 205 F CB 0.798 39.961 39.000 0.271 0.000 1.007 205 F HN 0.728 nan 8.300 nan 0.000 0.536 206 G N 0.987 109.936 108.800 0.247 0.000 2.828 206 G HA2 0.076 4.037 3.960 0.002 0.000 0.463 206 G HA3 0.076 4.037 3.960 0.002 0.000 0.463 206 G C -0.468 174.588 174.900 0.259 0.000 1.394 206 G CA -0.657 44.559 45.100 0.195 0.000 0.862 206 G HN 0.662 nan 8.290 nan 0.000 0.540 207 A N 0.483 123.439 122.820 0.227 0.000 2.444 207 A HA 0.786 5.107 4.320 0.002 0.000 0.332 207 A C 0.449 178.169 177.584 0.227 0.000 1.430 207 A CA 0.802 52.984 52.037 0.242 0.000 0.975 207 A CB -0.473 18.669 19.000 0.237 0.000 1.147 207 A HN 1.923 nan 8.150 nan 0.000 0.524 208 M N 0.262 119.895 119.600 0.056 0.000 2.683 208 M HA 0.552 5.033 4.480 0.002 0.000 0.274 208 M C -1.589 174.547 176.300 -0.274 0.000 1.272 208 M CA -0.857 54.391 55.300 -0.088 0.000 0.833 208 M CB 1.734 34.150 32.600 -0.307 0.000 1.708 208 M HN 0.248 nan 8.290 nan 0.000 0.463 209 D N 1.154 121.500 120.400 -0.090 0.000 2.468 209 D HA 0.323 4.964 4.640 0.002 0.000 0.218 209 D C -0.105 176.124 176.300 -0.119 0.000 1.155 209 D CA -0.255 53.722 54.000 -0.039 0.000 0.924 209 D CB 0.059 40.921 40.800 0.104 0.000 1.029 209 D HN 0.553 nan 8.370 nan 0.000 0.515 210 F N 1.122 121.101 119.950 0.047 0.000 2.365 210 F HA -0.109 4.420 4.527 0.002 0.000 0.300 210 F C 2.428 178.233 175.800 0.008 0.000 1.090 210 F CA 0.695 58.705 58.000 0.018 0.000 1.408 210 F CB -0.412 38.578 39.000 -0.016 0.000 1.060 210 F HN 0.277 nan 8.300 nan 0.000 0.534 211 T N -1.267 113.388 114.554 0.169 0.000 2.701 211 T HA -0.172 4.180 4.350 0.002 0.000 0.263 211 T C 2.128 176.865 174.700 0.061 0.000 1.040 211 T CA 1.983 64.142 62.100 0.097 0.000 1.147 211 T CB -0.728 68.183 68.868 0.072 0.000 0.865 211 T HN 0.402 nan 8.240 nan 0.000 0.426 212 T N -0.701 113.883 114.554 0.050 0.000 3.129 212 T HA 0.190 4.541 4.350 0.002 0.000 0.251 212 T C 1.198 175.912 174.700 0.023 0.000 1.117 212 T CA 0.161 62.282 62.100 0.035 0.000 1.034 212 T CB -0.087 68.805 68.868 0.040 0.000 0.968 212 T HN 0.054 nan 8.240 nan 0.000 0.526 213 L N 0.153 121.385 121.223 0.015 0.000 2.966 213 L HA 0.500 4.841 4.340 0.002 0.000 0.262 213 L C 0.156 177.029 176.870 0.006 0.000 1.165 213 L CA 0.293 55.130 54.840 -0.006 0.000 0.978 213 L CB 0.227 42.257 42.059 -0.048 0.000 1.337 213 L HN 0.357 nan 8.230 nan 0.000 0.563 214 Q N -0.968 118.852 119.800 0.034 0.000 2.786 214 Q HA 0.432 4.773 4.340 0.002 0.000 0.240 214 Q C 0.737 176.752 176.000 0.025 0.000 0.928 214 Q CA 0.100 55.925 55.803 0.036 0.000 0.721 214 Q CB 1.636 30.423 28.738 0.082 0.000 1.318 214 Q HN 0.116 nan 8.270 nan 0.000 0.474 215 A N 2.074 124.899 122.820 0.008 0.000 1.972 215 A HA -0.222 4.099 4.320 0.002 0.000 0.219 215 A C 1.811 179.391 177.584 -0.007 0.000 1.169 215 A CA 1.589 53.627 52.037 0.002 0.000 0.635 215 A CB -0.278 18.719 19.000 -0.004 0.000 0.810 215 A HN 0.741 nan 8.150 nan 0.000 0.446 216 N N -0.074 118.615 118.700 -0.019 0.000 2.132 216 N HA -0.252 4.489 4.740 0.002 0.000 0.191 216 N C 0.639 176.123 175.510 -0.043 0.000 1.015 216 N CA 1.856 54.881 53.050 -0.041 0.000 0.864 216 N CB -0.259 38.190 38.487 -0.063 0.000 1.006 216 N HN 0.524 nan 8.380 nan 0.000 0.430 217 K N -1.795 118.593 120.400 -0.019 0.000 3.274 217 K HA -0.138 4.184 4.320 0.002 0.000 0.300 217 K C -0.380 176.213 176.600 -0.013 0.000 1.230 217 K CA 0.862 57.154 56.287 0.008 0.000 0.884 217 K CB -1.299 31.215 32.500 0.023 0.000 1.242 217 K HN 0.205 nan 8.250 nan 0.000 0.467 218 S N -0.709 114.909 115.700 -0.138 0.000 3.053 218 S HA 0.102 4.573 4.470 0.002 0.000 0.255 218 S C 0.494 174.892 174.600 -0.336 0.000 0.976 218 S CA -0.703 57.273 58.200 -0.375 0.000 1.159 218 S CB 0.632 63.580 63.200 -0.419 0.000 1.110 218 S HN 0.193 nan 8.310 nan 0.000 0.633 219 E N 1.418 121.472 120.200 -0.243 0.000 2.230 219 E HA 0.065 4.416 4.350 0.002 0.000 0.192 219 E C 1.020 177.357 176.600 -0.439 0.000 0.987 219 E CA 0.740 56.950 56.400 -0.316 0.000 0.841 219 E CB 0.295 29.876 29.700 -0.199 0.000 0.783 219 E HN 0.543 nan 8.360 nan 0.000 0.481 220 V N -2.482 117.188 119.914 -0.405 0.000 3.160 220 V HA 0.540 4.661 4.120 0.002 0.000 0.310 220 V C -2.914 173.047 176.094 -0.221 0.000 1.181 220 V CA -3.016 58.945 62.300 -0.565 0.000 1.047 220 V CB 1.694 32.924 31.823 -0.988 0.000 1.068 220 V HN -0.270 nan 8.190 nan 0.000 0.441 221 P HA 0.129 nan 4.420 nan 0.000 0.270 221 P C 0.939 178.166 177.300 -0.123 0.000 1.221 221 P CA -0.180 62.874 63.100 -0.076 0.000 0.788 221 P CB 0.312 31.961 31.700 -0.085 0.000 0.904 222 L N 1.962 123.042 121.223 -0.239 0.000 2.013 222 L HA -0.207 4.134 4.340 0.002 0.000 0.212 222 L C 1.915 178.767 176.870 -0.030 0.000 1.073 222 L CA 2.267 56.997 54.840 -0.184 0.000 0.753 222 L CB -1.988 39.988 42.059 -0.139 0.000 0.890 222 L HN 0.524 nan 8.230 nan 0.000 0.432 223 D N 0.045 120.433 120.400 -0.019 0.000 2.311 223 D HA -0.217 4.424 4.640 0.002 0.000 0.212 223 D C 1.686 178.026 176.300 0.067 0.000 0.972 223 D CA 1.528 55.598 54.000 0.117 0.000 0.887 223 D CB -0.378 40.556 40.800 0.224 0.000 0.915 223 D HN 0.650 nan 8.370 nan 0.000 0.497 224 I N -3.452 117.096 120.570 -0.038 0.000 4.403 224 I HA 0.246 4.417 4.170 0.002 0.000 0.331 224 I C 2.152 178.138 176.117 -0.219 0.000 1.327 224 I CA -0.571 60.646 61.300 -0.138 0.000 1.175 224 I CB 0.014 37.823 38.000 -0.319 0.000 1.165 224 I HN 0.026 nan 8.210 nan 0.000 0.413 225 C N 2.723 121.916 119.300 -0.179 0.000 2.385 225 C HA -0.196 4.265 4.460 0.002 0.000 0.275 225 C C 2.263 177.252 174.990 -0.002 0.000 1.199 225 C CA 2.250 61.197 59.018 -0.119 0.000 1.782 225 C CB -1.302 26.413 27.740 -0.043 0.000 2.068 225 C HN 0.751 nan 8.230 nan 0.000 0.471 226 T N -2.027 112.544 114.554 0.029 0.000 3.380 226 T HA 0.493 4.845 4.350 0.002 0.000 0.289 226 T C 0.085 174.833 174.700 0.079 0.000 1.012 226 T CA -0.112 62.026 62.100 0.064 0.000 0.944 226 T CB 0.113 69.004 68.868 0.037 0.000 1.172 226 T HN 0.435 nan 8.240 nan 0.000 0.502 227 S N 0.612 116.376 115.700 0.106 0.000 2.823 227 S HA 0.809 5.280 4.470 0.002 0.000 0.316 227 S C -0.740 173.968 174.600 0.181 0.000 1.116 227 S CA -0.888 57.377 58.200 0.108 0.000 0.911 227 S CB 0.965 64.217 63.200 0.086 0.000 1.276 227 S HN 0.416 nan 8.310 nan 0.000 0.565 228 I N 0.848 121.483 120.570 0.108 0.000 2.418 228 I HA 0.346 4.517 4.170 0.002 0.000 0.287 228 I C -1.060 175.122 176.117 0.109 0.000 1.008 228 I CA -0.270 61.065 61.300 0.057 0.000 1.104 228 I CB 1.353 39.232 38.000 -0.201 0.000 1.264 228 I HN 0.447 nan 8.210 nan 0.000 0.438 229 C N 6.323 125.771 119.300 0.247 0.000 2.303 229 C HA 0.389 4.850 4.460 0.002 0.000 0.341 229 C C 0.386 175.503 174.990 0.212 0.000 1.244 229 C CA -0.757 58.421 59.018 0.267 0.000 1.765 229 C CB -0.644 27.329 27.740 0.388 0.000 2.379 229 C HN 0.638 nan 8.230 nan 0.000 0.530 230 K N 2.514 123.040 120.400 0.210 0.000 2.156 230 K HA 0.486 4.807 4.320 0.002 0.000 0.250 230 K C -1.193 175.602 176.600 0.325 0.000 0.955 230 K CA -0.580 55.809 56.287 0.170 0.000 0.855 230 K CB 2.059 34.534 32.500 -0.042 0.000 1.101 230 K HN 0.611 nan 8.250 nan 0.000 0.434 231 Y N 1.997 122.354 120.300 0.094 0.000 2.409 231 Y HA 0.296 4.847 4.550 0.002 0.000 0.343 231 Y C -2.597 173.274 175.900 -0.048 0.000 0.973 231 Y CA -2.591 55.572 58.100 0.105 0.000 1.064 231 Y CB 1.597 40.115 38.460 0.096 0.000 1.207 231 Y HN 0.405 nan 8.280 nan 0.000 0.452 232 P HA -0.041 nan 4.420 nan 0.000 0.262 232 P C -0.739 176.086 177.300 -0.792 0.000 1.182 232 P CA 0.425 63.018 63.100 -0.845 0.000 0.761 232 P CB 0.493 31.362 31.700 -1.386 0.000 0.795 233 D N 2.839 122.943 120.400 -0.494 0.000 2.563 233 D HA 0.043 4.684 4.640 0.002 0.000 0.222 233 D C 0.612 176.739 176.300 -0.288 0.000 1.145 233 D CA -0.224 53.613 54.000 -0.273 0.000 1.001 233 D CB -0.335 40.357 40.800 -0.180 0.000 1.049 233 D HN 0.291 nan 8.370 nan 0.000 0.515 234 Y N 1.571 121.721 120.300 -0.250 0.000 2.114 234 Y HA -0.271 4.280 4.550 0.002 0.000 0.282 234 Y C 2.314 178.122 175.900 -0.154 0.000 1.165 234 Y CA 0.683 58.611 58.100 -0.287 0.000 1.148 234 Y CB -0.141 38.094 38.460 -0.375 0.000 0.972 234 Y HN 0.361 nan 8.280 nan 0.000 0.504 235 I N 0.626 121.242 120.570 0.076 0.000 2.091 235 I HA -0.352 3.820 4.170 0.002 0.000 0.239 235 I C 2.383 178.505 176.117 0.008 0.000 1.061 235 I CA 1.795 63.122 61.300 0.045 0.000 1.317 235 I CB -1.330 36.695 38.000 0.041 0.000 1.031 235 I HN 0.260 nan 8.210 nan 0.000 0.401 236 K N 0.771 121.156 120.400 -0.026 0.000 2.032 236 K HA -0.171 4.150 4.320 0.002 0.000 0.209 236 K C 2.281 178.858 176.600 -0.038 0.000 1.048 236 K CA 1.514 57.777 56.287 -0.040 0.000 0.927 236 K CB -0.069 32.389 32.500 -0.071 0.000 0.712 236 K HN 0.199 nan 8.250 nan 0.000 0.441 237 M N 0.398 119.958 119.600 -0.066 0.000 2.159 237 M HA -0.160 4.321 4.480 0.002 0.000 0.263 237 M C 2.064 178.368 176.300 0.006 0.000 1.063 237 M CA 1.264 56.530 55.300 -0.056 0.000 1.110 237 M CB -0.028 32.500 32.600 -0.120 0.000 1.374 237 M HN 0.008 nan 8.290 nan 0.000 0.411 238 V N -0.986 118.945 119.914 0.029 0.000 2.719 238 V HA -0.131 3.990 4.120 0.002 0.000 0.252 238 V C 2.167 178.290 176.094 0.048 0.000 1.065 238 V CA 1.476 63.817 62.300 0.067 0.000 1.086 238 V CB -0.354 31.526 31.823 0.096 0.000 0.700 238 V HN 0.390 nan 8.190 nan 0.000 0.467 239 S N -0.828 114.890 115.700 0.029 0.000 2.406 239 S HA -0.091 4.381 4.470 0.002 0.000 0.228 239 S C 1.015 175.627 174.600 0.021 0.000 1.020 239 S CA 0.170 58.382 58.200 0.021 0.000 0.965 239 S CB -0.250 62.956 63.200 0.011 0.000 0.798 239 S HN 0.779 nan 8.310 nan 0.000 0.488 240 E N 3.375 123.590 120.200 0.025 0.000 2.966 240 E HA -0.106 4.245 4.350 0.002 0.000 0.254 240 E C -1.232 175.397 176.600 0.048 0.000 0.923 240 E CA -0.740 55.683 56.400 0.039 0.000 0.960 240 E CB 0.651 30.384 29.700 0.056 0.000 0.901 240 E HN 0.113 nan 8.360 nan 0.000 0.525 241 P HA -0.232 nan 4.420 nan 0.000 0.215 241 P C 0.607 177.877 177.300 -0.050 0.000 1.163 241 P CA 1.750 64.796 63.100 -0.091 0.000 0.894 241 P CB -0.137 31.402 31.700 -0.268 0.000 0.791 242 Y N -0.768 119.642 120.300 0.184 0.000 2.490 242 Y HA 0.282 4.833 4.550 0.002 0.000 0.285 242 Y C 1.874 177.947 175.900 0.288 0.000 1.117 242 Y CA 0.604 58.860 58.100 0.259 0.000 1.262 242 Y CB -0.690 37.888 38.460 0.195 0.000 1.043 242 Y HN 0.060 nan 8.280 nan 0.000 0.553 243 G N 1.015 110.013 108.800 0.329 0.000 2.295 243 G HA2 -0.273 3.688 3.960 0.002 0.000 0.287 243 G HA3 -0.273 3.688 3.960 0.002 0.000 0.287 243 G C 0.313 175.416 174.900 0.339 0.000 1.055 243 G CA 0.619 45.885 45.100 0.278 0.000 0.922 243 G HN 0.411 nan 8.290 nan 0.000 0.503 244 D N 0.114 120.702 120.400 0.312 0.000 2.240 244 D HA -0.051 4.590 4.640 0.002 0.000 0.206 244 D C 2.662 179.020 176.300 0.097 0.000 0.963 244 D CA 1.179 55.366 54.000 0.311 0.000 0.863 244 D CB -0.224 40.765 40.800 0.314 0.000 0.973 244 D HN 0.632 nan 8.370 nan 0.000 0.501 245 S N 0.806 116.522 115.700 0.028 0.000 2.400 245 S HA -0.113 4.358 4.470 0.002 0.000 0.232 245 S C 0.928 175.430 174.600 -0.163 0.000 1.025 245 S CA 0.507 58.647 58.200 -0.099 0.000 0.993 245 S CB -0.363 62.773 63.200 -0.108 0.000 0.808 245 S HN 0.301 nan 8.310 nan 0.000 0.478 246 L N -1.667 119.491 121.223 -0.109 0.000 2.639 246 L HA 0.626 4.967 4.340 0.002 0.000 0.264 246 L C -0.625 176.283 176.870 0.063 0.000 0.948 246 L CA -1.027 53.737 54.840 -0.127 0.000 0.912 246 L CB 0.588 42.620 42.059 -0.045 0.000 1.294 246 L HN 0.037 nan 8.230 nan 0.000 0.412 247 F N 2.486 122.569 119.950 0.222 0.000 2.647 247 F HA 0.761 5.289 4.527 0.002 0.000 0.300 247 F C -0.334 175.645 175.800 0.298 0.000 1.106 247 F CA -1.309 56.827 58.000 0.227 0.000 1.313 247 F CB -0.174 38.946 39.000 0.200 0.000 1.007 247 F HN 0.410 nan 8.300 nan 0.000 0.536 248 F N 1.624 121.759 119.950 0.308 0.000 2.714 248 F HA 0.503 5.032 4.527 0.002 0.000 0.313 248 F C -2.148 173.756 175.800 0.174 0.000 1.104 248 F CA -1.796 56.311 58.000 0.179 0.000 1.005 248 F CB 0.706 39.825 39.000 0.199 0.000 1.268 248 F HN 0.093 nan 8.300 nan 0.000 0.449 249 Y N 4.296 123.872 120.300 -1.207 0.000 2.641 249 Y HA 0.814 5.365 4.550 0.002 0.000 0.333 249 Y C -2.510 172.829 175.900 -0.935 0.000 1.174 249 Y CA -1.888 55.668 58.100 -0.906 0.000 1.057 249 Y CB 1.440 39.746 38.460 -0.255 0.000 1.322 249 Y HN 0.703 nan 8.280 nan 0.000 0.457 250 L N 4.007 125.008 121.223 -0.369 0.000 2.439 250 L HA 0.683 5.024 4.340 0.002 0.000 0.270 250 L C -1.091 175.772 176.870 -0.012 0.000 0.972 250 L CA -0.937 53.737 54.840 -0.277 0.000 0.836 250 L CB 2.375 44.209 42.059 -0.375 0.000 1.255 250 L HN 0.918 nan 8.230 nan 0.000 0.404 251 R N 2.252 122.766 120.500 0.022 0.000 2.686 251 R HA 0.874 5.216 4.340 0.002 0.000 0.286 251 R C -0.939 175.364 176.300 0.004 0.000 0.969 251 R CA -1.037 55.089 56.100 0.044 0.000 0.898 251 R CB 2.349 32.655 30.300 0.010 0.000 1.183 251 R HN 0.481 nan 8.270 nan 0.000 0.456 252 R N 1.414 121.932 120.500 0.030 0.000 2.605 252 R HA 0.173 4.514 4.340 0.002 0.000 0.291 252 R C -1.646 174.691 176.300 0.061 0.000 1.226 252 R CA -0.356 55.757 56.100 0.022 0.000 0.981 252 R CB 1.442 31.735 30.300 -0.012 0.000 1.215 252 R HN 0.962 nan 8.270 nan 0.000 0.428 253 E N 3.617 123.858 120.200 0.069 0.000 2.293 253 E HA 0.406 4.757 4.350 0.002 0.000 0.270 253 E C -1.426 175.214 176.600 0.066 0.000 0.879 253 E CA -1.070 55.381 56.400 0.085 0.000 0.756 253 E CB 2.578 32.353 29.700 0.125 0.000 1.208 253 E HN 0.540 nan 8.360 nan 0.000 0.428 254 Q N 2.901 122.742 119.800 0.069 0.000 2.418 254 Q HA 0.671 5.012 4.340 0.002 0.000 0.282 254 Q C -1.182 174.863 176.000 0.075 0.000 1.044 254 Q CA -1.114 54.731 55.803 0.069 0.000 0.813 254 Q CB 2.706 31.490 28.738 0.075 0.000 1.428 254 Q HN 0.602 nan 8.270 nan 0.000 0.402 255 M N 2.536 122.188 119.600 0.086 0.000 2.523 255 M HA 0.588 5.069 4.480 0.002 0.000 0.287 255 M C -2.273 174.108 176.300 0.135 0.000 1.160 255 M CA -0.509 54.828 55.300 0.061 0.000 0.902 255 M CB 2.363 34.960 32.600 -0.005 0.000 1.752 255 M HN 0.924 nan 8.290 nan 0.000 0.504 256 F N 1.399 121.326 119.950 -0.039 0.000 2.662 256 F HA 0.789 5.317 4.527 0.002 0.000 0.312 256 F C -1.771 173.977 175.800 -0.086 0.000 1.113 256 F CA -1.032 56.932 58.000 -0.060 0.000 0.951 256 F CB 0.882 39.849 39.000 -0.056 0.000 1.344 256 F HN 0.175 nan 8.300 nan 0.000 0.462 257 V N 3.637 123.596 119.914 0.074 0.000 2.405 257 V HA 0.241 4.363 4.120 0.002 0.000 0.264 257 V C 0.970 176.999 176.094 -0.107 0.000 1.048 257 V CA 0.022 62.258 62.300 -0.106 0.000 0.966 257 V CB 0.497 32.281 31.823 -0.066 0.000 1.015 257 V HN 0.915 nan 8.190 nan 0.000 0.477 258 R N 4.111 124.391 120.500 -0.367 0.000 2.057 258 R HA 0.111 4.453 4.340 0.002 0.000 0.224 258 R C 0.407 176.370 176.300 -0.561 0.000 1.136 258 R CA 1.177 57.053 56.100 -0.374 0.000 0.968 258 R CB 0.087 30.146 30.300 -0.402 0.000 0.863 258 R HN 0.796 nan 8.270 nan 0.000 0.433 259 H N -1.744 117.119 119.070 -0.346 0.000 2.797 259 H HA 0.498 5.055 4.556 0.001 0.000 0.372 259 H C -1.532 173.348 175.328 -0.747 0.000 1.168 259 H CA -0.899 54.813 56.048 -0.559 0.000 1.163 259 H CB 1.921 31.174 29.762 -0.849 0.000 1.778 259 H HN -0.056 nan 8.280 nan 0.000 0.551 260 L N 2.927 123.836 121.223 -0.522 0.000 2.342 260 L HA 0.376 4.717 4.340 0.002 0.000 0.276 260 L C -1.063 175.649 176.870 -0.264 0.000 0.997 260 L CA 0.085 54.678 54.840 -0.411 0.000 0.838 260 L CB 0.277 42.214 42.059 -0.203 0.000 1.224 260 L HN 0.478 nan 8.230 nan 0.000 0.416 261 F N 0.532 120.266 119.950 -0.360 0.000 2.585 261 F HA 0.498 5.025 4.527 0.001 0.000 0.350 261 F C 0.577 176.306 175.800 -0.118 0.000 1.074 261 F CA -1.082 56.704 58.000 -0.356 0.000 1.032 261 F CB 1.638 40.208 39.000 -0.717 0.000 1.330 261 F HN 0.374 nan 8.300 nan 0.000 0.495 262 N N -0.015 118.840 118.700 0.258 0.000 2.384 262 N HA 0.369 5.111 4.740 0.002 0.000 0.301 262 N C -1.308 174.399 175.510 0.328 0.000 1.133 262 N CA -0.850 52.327 53.050 0.212 0.000 0.853 262 N CB 1.307 39.838 38.487 0.074 0.000 1.241 262 N HN 0.285 nan 8.380 nan 0.000 0.502 263 R N 1.313 121.943 120.500 0.217 0.000 2.338 263 R HA 0.445 4.786 4.340 0.002 0.000 0.317 263 R C -0.546 175.771 176.300 0.030 0.000 0.968 263 R CA -0.473 55.715 56.100 0.147 0.000 0.849 263 R CB 1.433 31.784 30.300 0.083 0.000 1.128 263 R HN 0.572 nan 8.270 nan 0.000 0.448 264 A N 1.328 124.151 122.820 0.006 0.000 2.296 264 A HA 0.758 5.079 4.320 0.002 0.000 0.264 264 A C 0.614 178.179 177.584 -0.033 0.000 1.097 264 A CA 0.585 52.608 52.037 -0.024 0.000 0.811 264 A CB 0.478 19.458 19.000 -0.034 0.000 1.072 264 A HN 0.839 nan 8.150 nan 0.000 0.495 265 G N -1.224 107.556 108.800 -0.033 0.000 2.316 265 G HA2 0.484 4.445 3.960 0.002 0.000 0.349 265 G HA3 0.484 4.445 3.960 0.002 0.000 0.349 265 G C -0.323 174.559 174.900 -0.029 0.000 1.274 265 G CA 0.115 45.196 45.100 -0.033 0.000 1.018 265 G HN 2.064 nan 8.290 nan 0.000 0.486 266 T N -2.113 112.425 114.554 -0.026 0.000 2.885 266 T HA 0.655 5.006 4.350 0.002 0.000 0.285 266 T C 0.221 174.907 174.700 -0.023 0.000 1.019 266 T CA -0.182 61.904 62.100 -0.022 0.000 1.010 266 T CB 1.773 70.631 68.868 -0.017 0.000 1.022 266 T HN 1.509 nan 8.240 nan 0.000 0.466 267 V N 3.337 123.237 119.914 -0.023 0.000 2.555 267 V HA 0.189 4.310 4.120 0.002 0.000 0.299 267 V C 1.711 177.794 176.094 -0.017 0.000 1.012 267 V CA 1.072 63.358 62.300 -0.023 0.000 1.180 267 V CB -0.145 31.667 31.823 -0.019 0.000 0.887 267 V HN 1.220 nan 8.190 nan 0.000 0.476 268 G N 4.412 113.200 108.800 -0.019 0.000 2.459 268 G HA2 0.056 4.017 3.960 0.002 0.000 0.213 268 G HA3 0.056 4.017 3.960 0.002 0.000 0.213 268 G C 0.420 175.313 174.900 -0.011 0.000 1.155 268 G CA 0.019 45.110 45.100 -0.015 0.000 0.811 268 G HN 0.674 nan 8.290 nan 0.000 0.534 269 E N 0.661 120.854 120.200 -0.012 0.000 2.265 269 E HA 0.240 4.591 4.350 0.002 0.000 0.262 269 E C -1.167 175.431 176.600 -0.004 0.000 0.889 269 E CA -0.769 55.628 56.400 -0.006 0.000 0.789 269 E CB 1.446 31.142 29.700 -0.007 0.000 1.221 269 E HN -0.011 nan 8.360 nan 0.000 0.414 270 N N 1.071 119.775 118.700 0.007 0.000 2.508 270 N HA 0.107 4.848 4.740 0.002 0.000 0.264 270 N C -0.515 175.013 175.510 0.029 0.000 1.216 270 N CA -0.089 52.971 53.050 0.016 0.000 0.943 270 N CB 1.158 39.664 38.487 0.032 0.000 1.113 270 N HN 0.157 nan 8.380 nan 0.000 0.447 271 V N 4.094 124.025 119.914 0.028 0.000 2.446 271 V HA 0.114 4.235 4.120 0.002 0.000 0.276 271 V C -1.814 174.370 176.094 0.150 0.000 1.030 271 V CA -1.164 61.165 62.300 0.048 0.000 1.033 271 V CB 0.299 32.094 31.823 -0.046 0.000 0.993 271 V HN 0.555 nan 8.190 nan 0.000 0.477 272 P HA 0.026 nan 4.420 nan 0.000 0.260 272 P C 0.295 177.725 177.300 0.217 0.000 1.185 272 P CA -0.005 63.175 63.100 0.132 0.000 0.763 272 P CB 0.336 32.087 31.700 0.085 0.000 0.776 273 D N 1.782 122.268 120.400 0.144 0.000 2.392 273 D HA -0.174 4.467 4.640 0.002 0.000 0.228 273 D C 0.761 176.957 176.300 -0.173 0.000 1.003 273 D CA 0.683 54.642 54.000 -0.068 0.000 0.917 273 D CB -0.589 40.109 40.800 -0.171 0.000 0.890 273 D HN 0.418 nan 8.370 nan 0.000 0.532 274 D N 0.481 120.867 120.400 -0.025 0.000 2.349 274 D HA -0.092 4.550 4.640 0.002 0.000 0.224 274 D C 1.447 177.761 176.300 0.023 0.000 1.029 274 D CA -0.002 53.982 54.000 -0.027 0.000 0.879 274 D CB -0.149 40.650 40.800 -0.001 0.000 0.906 274 D HN 0.313 nan 8.370 nan 0.000 0.528 275 L N -0.363 120.929 121.223 0.115 0.000 2.607 275 L HA 0.210 4.551 4.340 0.002 0.000 0.228 275 L C -0.195 176.852 176.870 0.295 0.000 1.123 275 L CA -0.297 54.655 54.840 0.186 0.000 0.890 275 L CB -0.304 41.879 42.059 0.207 0.000 1.103 275 L HN 0.118 nan 8.230 nan 0.000 0.468 276 Y N -3.206 117.107 120.300 0.021 0.000 2.774 276 Y HA 0.523 5.073 4.550 0.002 0.000 0.346 276 Y C -1.345 174.564 175.900 0.014 0.000 1.222 276 Y CA -1.587 56.526 58.100 0.022 0.000 1.088 276 Y CB 0.666 39.144 38.460 0.031 0.000 1.354 276 Y HN -0.222 nan 8.280 nan 0.000 0.455 277 I N 3.547 124.125 120.570 0.014 0.000 2.321 277 I HA 0.261 4.432 4.170 0.002 0.000 0.291 277 I C -0.287 175.843 176.117 0.022 0.000 0.998 277 I CA -1.019 60.233 61.300 -0.080 0.000 1.227 277 I CB 1.206 39.203 38.000 -0.006 0.000 1.368 277 I HN 0.435 nan 8.210 nan 0.000 0.466 278 K N 4.232 124.573 120.400 -0.099 0.000 2.586 278 K HA -0.000 4.321 4.320 0.002 0.000 0.280 278 K C 0.524 177.164 176.600 0.068 0.000 0.972 278 K CA 0.174 56.490 56.287 0.048 0.000 1.040 278 K CB 0.585 33.073 32.500 -0.020 0.000 0.870 278 K HN 0.860 nan 8.250 nan 0.000 0.497 279 G N 0.672 109.521 108.800 0.082 0.000 2.714 279 G HA2 0.424 4.385 3.960 0.002 0.000 0.197 279 G HA3 0.424 4.385 3.960 0.002 0.000 0.197 279 G C -0.509 174.380 174.900 -0.019 0.000 1.449 279 G CA 0.021 45.122 45.100 0.002 0.000 1.065 279 G HN 0.697 nan 8.290 nan 0.000 0.575 280 S N -3.745 111.923 115.700 -0.054 0.000 2.622 280 S HA 0.557 5.028 4.470 0.002 0.000 0.275 280 S C 0.462 175.027 174.600 -0.057 0.000 1.112 280 S CA 0.274 58.450 58.200 -0.041 0.000 0.837 280 S CB 0.914 64.097 63.200 -0.027 0.000 1.082 280 S HN 2.552 nan 8.310 nan 0.000 0.456 281 G N 2.680 111.458 108.800 -0.037 0.000 2.620 281 G HA2 -0.381 3.580 3.960 0.002 0.000 0.315 281 G HA3 -0.381 3.580 3.960 0.002 0.000 0.315 281 G C 1.324 176.197 174.900 -0.045 0.000 1.179 281 G CA 1.958 47.038 45.100 -0.033 0.000 0.971 281 G HN 2.266 nan 8.290 nan 0.000 0.544 282 S N -0.398 115.262 115.700 -0.067 0.000 2.357 282 S HA -0.012 4.459 4.470 0.002 0.000 0.221 282 S C 2.268 176.722 174.600 -0.242 0.000 1.031 282 S CA 2.599 60.752 58.200 -0.077 0.000 0.982 282 S CB -0.984 62.194 63.200 -0.038 0.000 0.853 282 S HN 2.008 nan 8.310 nan 0.000 0.458 283 T N -0.508 113.811 114.554 -0.392 0.000 3.284 283 T HA 0.525 4.876 4.350 0.002 0.000 0.252 283 T C 1.515 176.073 174.700 -0.237 0.000 1.144 283 T CA 0.415 62.165 62.100 -0.584 0.000 1.021 283 T CB -0.285 68.296 68.868 -0.478 0.000 0.984 283 T HN 0.488 nan 8.240 nan 0.000 0.545 284 A N 2.271 125.017 122.820 -0.124 0.000 1.898 284 A HA 0.071 4.392 4.320 0.002 0.000 0.216 284 A C 1.241 178.828 177.584 0.005 0.000 1.181 284 A CA 0.478 52.495 52.037 -0.035 0.000 0.620 284 A CB -0.225 18.765 19.000 -0.018 0.000 0.819 284 A HN 0.547 nan 8.150 nan 0.000 0.442 285 N N 0.605 119.313 118.700 0.013 0.000 2.422 285 N HA 0.397 5.138 4.740 0.002 0.000 0.266 285 N C -1.256 174.321 175.510 0.111 0.000 1.007 285 N CA -0.389 52.697 53.050 0.061 0.000 0.941 285 N CB 1.429 39.958 38.487 0.070 0.000 1.115 285 N HN 0.089 nan 8.380 nan 0.000 0.492 286 L N 2.009 123.277 121.223 0.075 0.000 2.462 286 L HA 0.157 4.498 4.340 0.002 0.000 0.272 286 L C 0.848 177.767 176.870 0.083 0.000 1.166 286 L CA 0.021 54.900 54.840 0.066 0.000 0.880 286 L CB 0.046 42.060 42.059 -0.073 0.000 1.142 286 L HN 0.559 nan 8.230 nan 0.000 0.473 287 A N 3.127 126.019 122.820 0.121 0.000 2.332 287 A HA 0.375 4.696 4.320 0.002 0.000 0.258 287 A C 0.460 177.988 177.584 -0.095 0.000 1.087 287 A CA -0.214 51.805 52.037 -0.031 0.000 0.802 287 A CB 0.204 19.075 19.000 -0.215 0.000 1.042 287 A HN 0.735 nan 8.150 nan 0.000 0.489 288 S N 0.556 116.182 115.700 -0.123 0.000 2.596 288 S HA 0.144 4.616 4.470 0.002 0.000 0.298 288 S C 0.973 175.365 174.600 -0.346 0.000 1.255 288 S CA 0.187 58.284 58.200 -0.172 0.000 1.083 288 S CB -0.220 62.902 63.200 -0.131 0.000 0.837 288 S HN 1.432 nan 8.310 nan 0.000 0.499 289 S N 3.294 118.757 115.700 -0.394 0.000 2.561 289 S HA 0.255 4.726 4.470 0.002 0.000 0.245 289 S C 0.020 174.202 174.600 -0.696 0.000 1.001 289 S CA -0.697 57.056 58.200 -0.745 0.000 1.002 289 S CB -0.632 62.390 63.200 -0.296 0.000 0.805 289 S HN 0.792 nan 8.310 nan 0.000 0.458 290 N N 1.925 120.353 118.700 -0.455 0.000 3.322 290 N HA 0.249 4.991 4.740 0.002 0.000 0.290 290 N C -1.154 174.313 175.510 -0.073 0.000 1.297 290 N CA -0.409 52.537 53.050 -0.174 0.000 1.167 290 N CB 0.228 38.674 38.487 -0.068 0.000 1.434 290 N HN 0.440 nan 8.380 nan 0.000 0.526 291 Y N 1.108 121.483 120.300 0.124 0.000 2.379 291 Y HA 0.263 4.814 4.550 0.002 0.000 0.337 291 Y C 0.245 176.293 175.900 0.247 0.000 1.238 291 Y CA -0.624 57.562 58.100 0.142 0.000 1.405 291 Y CB 0.367 38.855 38.460 0.047 0.000 1.310 291 Y HN 0.192 nan 8.280 nan 0.000 0.569 292 F N 1.253 121.358 119.950 0.257 0.000 2.615 292 F HA 0.734 5.263 4.527 0.003 0.000 0.312 292 F C -3.523 172.341 175.800 0.106 0.000 1.119 292 F CA -2.786 55.323 58.000 0.182 0.000 0.979 292 F CB 1.836 40.981 39.000 0.241 0.000 1.266 292 F HN 0.136 nan 8.300 nan 0.000 0.444 293 P HA 0.344 nan 4.420 nan 0.000 0.287 293 P C -1.094 176.065 177.300 -0.235 0.000 1.279 293 P CA -0.364 62.569 63.100 -0.278 0.000 0.867 293 P CB 2.207 33.792 31.700 -0.193 0.000 1.127 294 T N 3.606 117.972 114.554 -0.313 0.000 2.744 294 T HA 0.369 4.720 4.350 0.002 0.000 0.291 294 T C -2.029 172.541 174.700 -0.216 0.000 0.957 294 T CA -1.244 60.772 62.100 -0.141 0.000 1.002 294 T CB 0.670 69.466 68.868 -0.118 0.000 0.919 294 T HN 0.394 nan 8.240 nan 0.000 0.468 295 P HA 0.350 nan 4.420 nan 0.000 0.275 295 P C -0.745 176.389 177.300 -0.277 0.000 1.266 295 P CA -0.548 62.408 63.100 -0.240 0.000 0.793 295 P CB 0.898 32.499 31.700 -0.165 0.000 1.074 296 S N -0.584 114.863 115.700 -0.421 0.000 2.481 296 S HA 0.463 4.935 4.470 0.002 0.000 0.262 296 S C -0.500 173.886 174.600 -0.357 0.000 1.061 296 S CA -0.653 57.247 58.200 -0.500 0.000 1.039 296 S CB -0.469 62.115 63.200 -1.025 0.000 1.170 296 S HN 0.640 nan 8.310 nan 0.000 0.437 297 G N 3.140 111.894 108.800 -0.076 0.000 2.351 297 G HA2 0.445 4.407 3.960 0.002 0.000 0.287 297 G HA3 0.445 4.407 3.960 0.002 0.000 0.287 297 G C 0.589 175.553 174.900 0.107 0.000 1.159 297 G CA -0.047 45.080 45.100 0.046 0.000 0.929 297 G HN 0.767 nan 8.290 nan 0.000 0.435 298 S N 2.477 118.313 115.700 0.226 0.000 2.873 298 S HA 0.058 4.530 4.470 0.002 0.000 0.248 298 S C 1.277 175.964 174.600 0.145 0.000 1.454 298 S CA -0.160 58.199 58.200 0.265 0.000 1.067 298 S CB -0.078 63.271 63.200 0.248 0.000 0.785 298 S HN 0.656 nan 8.310 nan 0.000 0.472 299 M N 1.695 121.361 119.600 0.111 0.000 2.248 299 M HA 0.301 4.782 4.480 0.002 0.000 0.337 299 M C -0.747 175.593 176.300 0.067 0.000 1.121 299 M CA -0.366 54.978 55.300 0.074 0.000 1.155 299 M CB 0.480 33.111 32.600 0.051 0.000 1.514 299 M HN 0.422 nan 8.290 nan 0.000 0.452 300 V N 1.722 121.672 119.914 0.060 0.000 2.630 300 V HA 0.883 5.005 4.120 0.002 0.000 0.305 300 V C -0.320 175.801 176.094 0.045 0.000 1.046 300 V CA -0.541 61.794 62.300 0.059 0.000 0.934 300 V CB 1.306 33.168 31.823 0.066 0.000 1.003 300 V HN 0.929 nan 8.190 nan 0.000 0.451 301 T N 1.192 115.771 114.554 0.041 0.000 2.900 301 T HA 0.432 4.783 4.350 0.002 0.000 0.303 301 T C 0.845 175.561 174.700 0.027 0.000 1.142 301 T CA 0.317 62.435 62.100 0.029 0.000 1.007 301 T CB 2.056 70.936 68.868 0.021 0.000 1.156 301 T HN 0.756 nan 8.240 nan 0.000 0.490 302 S N 2.094 117.807 115.700 0.021 0.000 2.343 302 S HA -0.101 4.370 4.470 0.002 0.000 0.219 302 S C 1.509 176.116 174.600 0.011 0.000 1.033 302 S CA 1.488 59.699 58.200 0.018 0.000 1.014 302 S CB -0.461 62.746 63.200 0.012 0.000 0.915 302 S HN 0.858 nan 8.310 nan 0.000 0.435 303 D N 1.974 122.378 120.400 0.006 0.000 2.239 303 D HA -0.120 4.521 4.640 0.002 0.000 0.202 303 D C 1.541 177.839 176.300 -0.003 0.000 0.993 303 D CA 1.305 55.305 54.000 0.001 0.000 0.874 303 D CB -0.234 40.567 40.800 0.000 0.000 0.922 303 D HN 0.480 nan 8.370 nan 0.000 0.464 304 A N 0.269 123.089 122.820 0.000 0.000 2.345 304 A HA 0.007 4.328 4.320 0.002 0.000 0.225 304 A C 0.935 178.504 177.584 -0.025 0.000 1.243 304 A CA -0.160 51.872 52.037 -0.008 0.000 0.875 304 A CB 0.187 19.189 19.000 0.004 0.000 0.929 304 A HN -0.047 nan 8.150 nan 0.000 0.502 305 Q N -0.580 119.209 119.800 -0.018 0.000 2.361 305 Q HA 0.168 4.509 4.340 0.002 0.000 0.276 305 Q C 0.392 176.316 176.000 -0.127 0.000 1.022 305 Q CA 0.333 56.114 55.803 -0.036 0.000 0.898 305 Q CB 0.984 29.733 28.738 0.019 0.000 1.246 305 Q HN 0.419 nan 8.270 nan 0.000 0.410 306 I N 1.087 121.453 120.570 -0.339 0.000 3.939 306 I HA 0.039 4.210 4.170 0.002 0.000 0.313 306 I C 0.142 176.007 176.117 -0.419 0.000 1.274 306 I CA 0.365 61.381 61.300 -0.474 0.000 1.301 306 I CB 0.407 37.933 38.000 -0.790 0.000 1.105 306 I HN 0.406 nan 8.210 nan 0.000 0.427 307 F N 0.229 120.236 119.950 0.095 0.000 2.403 307 F HA 0.339 4.867 4.527 0.002 0.000 0.326 307 F C 1.176 176.938 175.800 -0.062 0.000 1.099 307 F CA -1.034 56.986 58.000 0.033 0.000 1.036 307 F CB 0.061 39.065 39.000 0.007 0.000 1.336 307 F HN -0.137 nan 8.300 nan 0.000 0.497 308 N N 0.446 119.188 118.700 0.070 0.000 2.735 308 N HA -0.212 4.529 4.740 0.002 0.000 0.248 308 N C -1.088 174.355 175.510 -0.111 0.000 1.083 308 N CA 0.749 53.770 53.050 -0.048 0.000 0.703 308 N CB -0.987 37.495 38.487 -0.008 0.000 1.005 308 N HN 0.584 nan 8.380 nan 0.000 0.550 309 K N -0.139 120.134 120.400 -0.212 0.000 2.498 309 K HA 0.452 4.773 4.320 0.002 0.000 0.254 309 K C -2.635 173.625 176.600 -0.566 0.000 0.933 309 K CA -1.386 54.747 56.287 -0.257 0.000 0.806 309 K CB 3.106 35.533 32.500 -0.122 0.000 1.301 309 K HN -0.162 nan 8.250 nan 0.000 0.432 310 P HA 0.181 nan 4.420 nan 0.000 0.286 310 P C -1.374 175.291 177.300 -1.058 0.000 1.261 310 P CA -0.359 62.156 63.100 -0.976 0.000 0.821 310 P CB 0.545 31.638 31.700 -1.012 0.000 1.013 311 Y N 0.611 120.371 120.300 -0.899 0.000 2.328 311 Y HA 0.318 4.869 4.550 0.002 0.000 0.337 311 Y C -0.044 175.381 175.900 -0.792 0.000 0.966 311 Y CA -0.921 56.708 58.100 -0.785 0.000 1.136 311 Y CB 1.240 39.235 38.460 -0.775 0.000 1.170 311 Y HN 0.322 nan 8.280 nan 0.000 0.470 312 W N 5.519 126.771 121.300 -0.080 0.000 2.317 312 W HA 0.455 5.116 4.660 0.002 0.000 0.327 312 W C -0.613 175.835 176.519 -0.119 0.000 1.036 312 W CA -0.770 56.532 57.345 -0.071 0.000 1.419 312 W CB 0.648 30.107 29.460 -0.003 0.000 1.253 312 W HN 0.405 nan 8.180 nan 0.000 0.392 313 L N 4.841 126.097 121.223 0.055 0.000 2.437 313 L HA 0.046 4.387 4.340 0.002 0.000 0.243 313 L C 1.586 178.483 176.870 0.045 0.000 1.346 313 L CA 0.096 54.924 54.840 -0.019 0.000 1.233 313 L CB -0.488 41.531 42.059 -0.067 0.000 1.436 313 L HN 0.616 nan 8.230 nan 0.000 0.416 314 Q N 0.358 120.212 119.800 0.090 0.000 2.107 314 Q HA 0.044 4.385 4.340 0.002 0.000 0.195 314 Q C 0.640 176.667 176.000 0.044 0.000 0.964 314 Q CA 0.389 56.235 55.803 0.072 0.000 0.833 314 Q CB 0.156 28.943 28.738 0.081 0.000 0.910 314 Q HN 0.377 nan 8.270 nan 0.000 0.465 315 R N 0.737 121.271 120.500 0.056 0.000 2.337 315 R HA 0.577 4.918 4.340 0.002 0.000 0.319 315 R C -1.433 174.909 176.300 0.069 0.000 0.954 315 R CA -0.005 56.125 56.100 0.051 0.000 0.840 315 R CB 1.918 32.248 30.300 0.050 0.000 1.164 315 R HN 0.357 nan 8.270 nan 0.000 0.472 316 A N 2.137 124.996 122.820 0.065 0.000 2.304 316 A HA 0.215 4.536 4.320 0.002 0.000 0.301 316 A C 0.458 178.099 177.584 0.095 0.000 1.132 316 A CA -0.653 51.450 52.037 0.110 0.000 0.819 316 A CB 0.908 19.976 19.000 0.114 0.000 1.094 316 A HN 0.791 nan 8.150 nan 0.000 0.492 317 Q N 1.395 121.259 119.800 0.106 0.000 2.378 317 Q HA 0.204 4.545 4.340 0.002 0.000 0.205 317 Q C 0.809 176.828 176.000 0.033 0.000 0.954 317 Q CA 0.927 56.767 55.803 0.062 0.000 0.901 317 Q CB -0.745 28.031 28.738 0.063 0.000 0.981 317 Q HN 0.698 nan 8.270 nan 0.000 0.483 318 G N -0.883 107.970 108.800 0.088 0.000 2.535 318 G HA2 0.284 4.245 3.960 0.002 0.000 0.303 318 G HA3 0.284 4.245 3.960 0.002 0.000 0.303 318 G C -0.534 174.407 174.900 0.069 0.000 1.237 318 G CA -0.586 44.553 45.100 0.065 0.000 0.986 318 G HN 0.323 nan 8.290 nan 0.000 0.494 319 H N -1.045 118.152 119.070 0.211 0.000 2.502 319 H HA 0.015 4.572 4.556 0.002 0.000 0.283 319 H C 0.759 176.239 175.328 0.253 0.000 1.015 319 H CA 0.316 56.498 56.048 0.224 0.000 1.298 319 H CB 0.435 30.358 29.762 0.268 0.000 1.411 319 H HN 0.288 nan 8.280 nan 0.000 0.556 320 N N 1.451 120.403 118.700 0.421 0.000 2.415 320 N HA -0.071 4.671 4.740 0.002 0.000 0.246 320 N C -0.807 174.794 175.510 0.151 0.000 1.078 320 N CA -0.047 53.225 53.050 0.370 0.000 0.942 320 N CB 0.086 38.890 38.487 0.528 0.000 1.140 320 N HN 0.147 nan 8.380 nan 0.000 0.501 321 N N 3.021 121.720 118.700 -0.002 0.000 3.303 321 N HA 0.146 4.887 4.740 0.002 0.000 0.304 321 N C 0.466 175.735 175.510 -0.402 0.000 1.302 321 N CA 0.452 53.418 53.050 -0.140 0.000 1.213 321 N CB -0.602 37.842 38.487 -0.071 0.000 1.481 321 N HN 0.812 nan 8.380 nan 0.000 0.546 322 G N 1.367 109.593 108.800 -0.958 0.000 2.160 322 G HA2 -0.231 3.730 3.960 0.002 0.000 0.251 322 G HA3 -0.231 3.730 3.960 0.002 0.000 0.251 322 G C 0.118 174.618 174.900 -0.667 0.000 1.008 322 G CA -0.290 43.940 45.100 -1.450 0.000 0.724 322 G HN 0.413 nan 8.290 nan 0.000 0.514 323 I N 0.662 120.943 120.570 -0.482 0.000 2.416 323 I HA 0.197 4.368 4.170 0.002 0.000 0.288 323 I C 1.092 176.996 176.117 -0.355 0.000 1.051 323 I CA -0.917 60.083 61.300 -0.501 0.000 1.375 323 I CB 0.855 38.300 38.000 -0.925 0.000 1.407 323 I HN 0.142 nan 8.210 nan 0.000 0.516 324 C N 6.528 125.741 119.300 -0.146 0.000 2.700 324 C HA 0.183 4.644 4.460 0.002 0.000 0.529 324 C C 0.466 175.507 174.990 0.085 0.000 1.093 324 C CA -1.098 57.967 59.018 0.079 0.000 1.320 324 C CB -2.225 25.625 27.740 0.183 0.000 1.478 324 C HN 0.618 nan 8.230 nan 0.000 0.598 325 W N 0.536 121.946 121.300 0.184 0.000 2.314 325 W HA 0.353 5.014 4.660 0.002 0.000 0.339 325 W C 1.378 177.929 176.519 0.053 0.000 1.293 325 W CA 1.291 58.691 57.345 0.093 0.000 1.288 325 W CB 0.205 29.698 29.460 0.056 0.000 1.186 325 W HN 0.877 nan 8.180 nan 0.000 0.566 326 G N 2.243 111.199 108.800 0.259 0.000 2.162 326 G HA2 -0.417 3.544 3.960 0.002 0.000 0.260 326 G HA3 -0.417 3.544 3.960 0.002 0.000 0.260 326 G C 0.422 175.399 174.900 0.128 0.000 0.976 326 G CA 0.087 45.266 45.100 0.132 0.000 0.655 326 G HN 0.811 nan 8.290 nan 0.000 0.533 327 N N -0.791 118.000 118.700 0.152 0.000 2.725 327 N HA -0.166 4.575 4.740 0.002 0.000 0.249 327 N C 0.298 175.825 175.510 0.028 0.000 1.103 327 N CA 1.984 55.100 53.050 0.110 0.000 0.707 327 N CB -0.914 37.636 38.487 0.105 0.000 1.043 327 N HN 0.867 nan 8.380 nan 0.000 0.553 328 Q N -0.258 119.564 119.800 0.035 0.000 2.378 328 Q HA 0.753 5.094 4.340 0.002 0.000 0.276 328 Q C -0.638 175.321 176.000 -0.068 0.000 1.083 328 Q CA -0.719 55.036 55.803 -0.079 0.000 0.856 328 Q CB 2.265 30.986 28.738 -0.027 0.000 1.383 328 Q HN 0.210 nan 8.270 nan 0.000 0.458 329 L N 1.758 122.836 121.223 -0.242 0.000 2.705 329 L HA 0.434 4.775 4.340 0.002 0.000 0.260 329 L C -2.066 174.626 176.870 -0.297 0.000 0.921 329 L CA -0.160 54.620 54.840 -0.100 0.000 0.948 329 L CB 1.383 43.419 42.059 -0.037 0.000 1.427 329 L HN 0.647 nan 8.230 nan 0.000 0.432 330 F N 3.894 123.808 119.950 -0.059 0.000 2.458 330 F HA 0.633 5.161 4.527 0.002 0.000 0.336 330 F C 0.281 176.109 175.800 0.048 0.000 1.114 330 F CA -0.576 57.382 58.000 -0.070 0.000 0.987 330 F CB 2.139 41.047 39.000 -0.154 0.000 1.130 330 F HN 0.104 nan 8.300 nan 0.000 0.458 331 V N 2.996 123.097 119.914 0.312 0.000 2.380 331 V HA 0.335 4.456 4.120 0.002 0.000 0.286 331 V C -0.438 175.887 176.094 0.386 0.000 1.015 331 V CA -0.634 61.889 62.300 0.372 0.000 0.834 331 V CB 1.585 33.667 31.823 0.432 0.000 1.009 331 V HN 0.776 nan 8.190 nan 0.000 0.428 332 T N 4.473 119.197 114.554 0.283 0.000 2.837 332 T HA 0.747 5.098 4.350 0.002 0.000 0.285 332 T C -0.322 174.547 174.700 0.282 0.000 0.984 332 T CA -0.406 61.829 62.100 0.225 0.000 1.049 332 T CB 1.862 70.824 68.868 0.157 0.000 0.947 332 T HN 0.344 nan 8.240 nan 0.000 0.472 333 V N 2.768 122.837 119.914 0.257 0.000 2.971 333 V HA 0.680 4.801 4.120 0.002 0.000 0.309 333 V C -0.960 175.251 176.094 0.195 0.000 1.130 333 V CA -0.758 61.720 62.300 0.296 0.000 0.964 333 V CB 2.522 34.578 31.823 0.388 0.000 1.029 333 V HN 0.704 nan 8.190 nan 0.000 0.427 334 V N 2.493 122.520 119.914 0.188 0.000 2.655 334 V HA 0.580 4.701 4.120 0.002 0.000 0.301 334 V C -1.640 174.567 176.094 0.189 0.000 1.082 334 V CA -0.368 61.970 62.300 0.064 0.000 0.899 334 V CB 2.051 33.784 31.823 -0.150 0.000 1.014 334 V HN 0.985 nan 8.190 nan 0.000 0.429 335 D N 2.701 123.183 120.400 0.137 0.000 2.479 335 D HA 0.355 4.997 4.640 0.002 0.000 0.246 335 D C 0.581 176.962 176.300 0.134 0.000 1.336 335 D CA 0.064 54.169 54.000 0.176 0.000 0.967 335 D CB 2.086 42.858 40.800 -0.048 0.000 1.275 335 D HN 0.603 nan 8.370 nan 0.000 0.577 336 T N -0.447 114.195 114.554 0.147 0.000 3.186 336 T HA 0.070 4.422 4.350 0.002 0.000 0.257 336 T C 1.222 176.001 174.700 0.131 0.000 1.029 336 T CA 0.376 62.553 62.100 0.129 0.000 0.916 336 T CB -0.224 68.719 68.868 0.125 0.000 1.041 336 T HN 0.298 nan 8.240 nan 0.000 0.562 337 T N -0.588 114.050 114.554 0.140 0.000 3.144 337 T HA 0.312 4.663 4.350 0.002 0.000 0.249 337 T C 0.983 175.740 174.700 0.095 0.000 1.089 337 T CA -0.516 61.656 62.100 0.121 0.000 0.989 337 T CB -0.233 68.719 68.868 0.140 0.000 0.992 337 T HN 0.410 nan 8.240 nan 0.000 0.540 338 R N 0.663 121.223 120.500 0.099 0.000 2.579 338 R HA 0.203 4.544 4.340 0.002 0.000 0.386 338 R C 0.890 177.289 176.300 0.165 0.000 1.065 338 R CA 0.155 56.302 56.100 0.077 0.000 1.143 338 R CB 0.558 30.868 30.300 0.017 0.000 1.357 338 R HN 0.418 nan 8.270 nan 0.000 0.644 339 S N -1.100 114.720 115.700 0.201 0.000 2.631 339 S HA 0.010 4.481 4.470 0.002 0.000 0.217 339 S C 0.806 175.592 174.600 0.311 0.000 0.958 339 S CA -0.230 58.160 58.200 0.317 0.000 0.920 339 S CB 0.079 63.370 63.200 0.153 0.000 0.776 339 S HN 0.039 nan 8.310 nan 0.000 0.517 340 T N 4.197 118.852 114.554 0.168 0.000 2.866 340 T HA 0.046 4.397 4.350 0.002 0.000 0.293 340 T C 0.044 174.817 174.700 0.121 0.000 1.005 340 T CA 0.512 62.666 62.100 0.089 0.000 1.162 340 T CB -0.220 68.653 68.868 0.007 0.000 0.968 340 T HN 0.538 nan 8.240 nan 0.000 0.530 341 N N 2.773 121.530 118.700 0.095 0.000 2.405 341 N HA 0.551 5.292 4.740 0.002 0.000 0.299 341 N C -0.146 175.346 175.510 -0.030 0.000 1.075 341 N CA -0.817 52.259 53.050 0.043 0.000 0.884 341 N CB 1.209 39.672 38.487 -0.040 0.000 1.194 341 N HN 0.585 nan 8.380 nan 0.000 0.491 342 M N -0.323 119.241 119.600 -0.060 0.000 2.227 342 M HA 0.500 4.981 4.480 0.002 0.000 0.335 342 M C -0.767 175.504 176.300 -0.048 0.000 1.053 342 M CA -0.858 54.412 55.300 -0.051 0.000 0.973 342 M CB 1.562 34.130 32.600 -0.054 0.000 1.623 342 M HN 0.382 nan 8.290 nan 0.000 0.434 343 S N 5.472 121.156 115.700 -0.025 0.000 2.499 343 S HA 0.748 5.219 4.470 0.002 0.000 0.279 343 S C -0.404 174.211 174.600 0.025 0.000 1.219 343 S CA -0.921 57.280 58.200 0.002 0.000 1.062 343 S CB 0.693 63.900 63.200 0.012 0.000 0.978 343 S HN 0.836 nan 8.310 nan 0.000 0.489 344 L N 1.421 122.681 121.223 0.062 0.000 2.381 344 L HA 0.849 5.191 4.340 0.002 0.000 0.274 344 L C -0.486 176.483 176.870 0.166 0.000 0.988 344 L CA -1.034 53.846 54.840 0.065 0.000 0.824 344 L CB 1.071 43.136 42.059 0.010 0.000 1.263 344 L HN 0.880 nan 8.230 nan 0.000 0.410 345 C N 1.769 121.166 119.300 0.161 0.000 2.455 345 C HA 0.983 5.444 4.460 0.002 0.000 0.320 345 C C 0.481 175.618 174.990 0.244 0.000 1.226 345 C CA -0.149 59.027 59.018 0.263 0.000 1.569 345 C CB 0.782 28.648 27.740 0.209 0.000 2.200 345 C HN 1.152 nan 8.230 nan 0.000 0.491 346 A N 3.168 126.172 122.820 0.306 0.000 2.312 346 A HA 0.866 5.188 4.320 0.002 0.000 0.326 346 A C 0.310 178.071 177.584 0.296 0.000 1.172 346 A CA 0.024 52.207 52.037 0.243 0.000 0.821 346 A CB 0.772 19.867 19.000 0.158 0.000 1.166 346 A HN 2.194 nan 8.150 nan 0.000 0.493 347 A N 1.375 124.348 122.820 0.256 0.000 2.354 347 A HA 0.514 4.835 4.320 0.002 0.000 0.269 347 A C 0.794 178.341 177.584 -0.061 0.000 1.109 347 A CA -0.315 51.753 52.037 0.052 0.000 0.800 347 A CB 0.097 19.133 19.000 0.060 0.000 1.045 347 A HN 1.174 nan 8.150 nan 0.000 0.489 348 I N 1.151 121.606 120.570 -0.191 0.000 2.876 348 I HA 0.044 4.215 4.170 0.002 0.000 0.264 348 I C 0.775 176.819 176.117 -0.120 0.000 1.204 348 I CA 1.115 62.344 61.300 -0.118 0.000 1.485 348 I CB 0.188 38.110 38.000 -0.131 0.000 1.103 348 I HN 0.578 nan 8.210 nan 0.000 0.446 349 S N -1.105 114.485 115.700 -0.183 0.000 2.548 349 S HA 0.330 4.801 4.470 0.002 0.000 0.276 349 S C 0.242 174.771 174.600 -0.117 0.000 1.129 349 S CA -0.212 57.910 58.200 -0.131 0.000 0.931 349 S CB 1.333 64.450 63.200 -0.138 0.000 1.068 349 S HN 0.236 nan 8.310 nan 0.000 0.480 350 T N 1.189 115.713 114.554 -0.050 0.000 3.258 350 T HA 0.356 4.707 4.350 0.002 0.000 0.263 350 T C 0.848 175.547 174.700 -0.002 0.000 0.983 350 T CA -0.270 61.825 62.100 -0.008 0.000 0.907 350 T CB -0.061 68.815 68.868 0.015 0.000 1.096 350 T HN 0.336 nan 8.240 nan 0.000 0.556 351 S N 1.695 117.381 115.700 -0.023 0.000 2.566 351 S HA 0.183 4.655 4.470 0.002 0.000 0.166 351 S C 0.087 174.687 174.600 0.000 0.000 0.811 351 S CA -0.436 57.757 58.200 -0.012 0.000 0.940 351 S CB -0.365 62.820 63.200 -0.024 0.000 0.768 351 S HN 0.655 nan 8.310 nan 0.000 0.534 352 E N 2.719 122.911 120.200 -0.014 0.000 2.975 352 E HA -0.040 4.311 4.350 0.002 0.000 0.269 352 E C 0.460 177.080 176.600 0.035 0.000 0.905 352 E CA 0.685 57.085 56.400 0.001 0.000 0.967 352 E CB -0.352 29.335 29.700 -0.021 0.000 0.925 352 E HN 0.563 nan 8.360 nan 0.000 0.507 353 T N -0.544 114.037 114.554 0.046 0.000 3.273 353 T HA 0.163 4.515 4.350 0.002 0.000 0.254 353 T C 0.039 174.793 174.700 0.090 0.000 1.002 353 T CA -0.579 61.563 62.100 0.070 0.000 0.913 353 T CB -0.114 68.787 68.868 0.054 0.000 1.056 353 T HN 0.286 nan 8.240 nan 0.000 0.576 354 T N 1.918 116.526 114.554 0.091 0.000 2.841 354 T HA 0.358 4.709 4.350 0.002 0.000 0.285 354 T C -1.113 173.681 174.700 0.157 0.000 0.991 354 T CA -0.626 61.543 62.100 0.115 0.000 0.966 354 T CB 1.025 69.937 68.868 0.074 0.000 0.962 354 T HN 0.344 nan 8.240 nan 0.000 0.438 355 Y N 3.290 123.665 120.300 0.124 0.000 2.702 355 Y HA 0.273 4.825 4.550 0.002 0.000 0.336 355 Y C 0.230 176.230 175.900 0.167 0.000 1.235 355 Y CA 0.393 58.613 58.100 0.199 0.000 1.492 355 Y CB 0.359 38.896 38.460 0.129 0.000 1.308 355 Y HN 0.490 nan 8.280 nan 0.000 0.589 356 K N 4.905 125.018 120.400 -0.478 0.000 2.615 356 K HA 0.183 4.504 4.320 0.002 0.000 0.249 356 K C -0.023 176.312 176.600 -0.442 0.000 0.977 356 K CA -0.566 55.539 56.287 -0.303 0.000 0.833 356 K CB 1.306 33.692 32.500 -0.190 0.000 1.208 356 K HN 0.673 nan 8.250 nan 0.000 0.443 357 N N -0.024 118.560 118.700 -0.192 0.000 2.417 357 N HA -0.199 4.542 4.740 0.002 0.000 0.187 357 N C 1.347 176.857 175.510 -0.001 0.000 1.027 357 N CA 1.427 54.478 53.050 0.001 0.000 0.891 357 N CB 0.166 38.741 38.487 0.146 0.000 0.956 357 N HN 0.466 nan 8.380 nan 0.000 0.442 358 T N -0.892 113.610 114.554 -0.087 0.000 3.065 358 T HA 0.068 4.419 4.350 0.002 0.000 0.252 358 T C 1.357 175.958 174.700 -0.164 0.000 1.099 358 T CA 0.265 62.316 62.100 -0.082 0.000 1.063 358 T CB -0.166 68.665 68.868 -0.062 0.000 0.948 358 T HN 0.132 nan 8.240 nan 0.000 0.506 359 N N 0.050 118.556 118.700 -0.324 0.000 2.494 359 N HA 0.121 4.862 4.740 0.002 0.000 0.182 359 N C -0.661 174.405 175.510 -0.741 0.000 1.076 359 N CA 0.421 53.118 53.050 -0.588 0.000 0.908 359 N CB -0.105 37.867 38.487 -0.859 0.000 0.967 359 N HN 0.353 nan 8.380 nan 0.000 0.449 360 F N 0.426 120.318 119.950 -0.096 0.000 2.493 360 F HA 0.442 4.971 4.527 0.002 0.000 0.329 360 F C 0.101 175.903 175.800 0.003 0.000 1.126 360 F CA -1.056 56.934 58.000 -0.018 0.000 0.937 360 F CB 1.640 40.648 39.000 0.014 0.000 1.146 360 F HN -0.379 nan 8.300 nan 0.000 0.442 361 K N 3.313 123.834 120.400 0.201 0.000 2.262 361 K HA 0.223 4.545 4.320 0.002 0.000 0.282 361 K C -0.348 176.290 176.600 0.062 0.000 1.066 361 K CA -0.554 55.768 56.287 0.059 0.000 0.901 361 K CB 0.788 33.333 32.500 0.074 0.000 1.089 361 K HN 0.490 nan 8.250 nan 0.000 0.476 362 E N 2.758 122.918 120.200 -0.066 0.000 2.283 362 E HA 0.200 4.551 4.350 0.002 0.000 0.278 362 E C -0.690 175.816 176.600 -0.157 0.000 1.027 362 E CA -0.104 56.303 56.400 0.011 0.000 0.843 362 E CB 0.913 30.634 29.700 0.037 0.000 1.062 362 E HN 0.340 nan 8.360 nan 0.000 0.401 363 Y N 0.506 120.839 120.300 0.055 0.000 2.698 363 Y HA 0.558 5.110 4.550 0.002 0.000 0.332 363 Y C -0.069 175.811 175.900 -0.033 0.000 1.119 363 Y CA -0.950 57.176 58.100 0.043 0.000 1.109 363 Y CB 1.404 39.892 38.460 0.046 0.000 1.308 363 Y HN 0.247 nan 8.280 nan 0.000 0.499 364 L N 1.840 123.107 121.223 0.072 0.000 2.431 364 L HA 0.673 5.014 4.340 0.002 0.000 0.266 364 L C -0.965 175.732 176.870 -0.289 0.000 0.978 364 L CA -0.884 53.832 54.840 -0.206 0.000 0.822 364 L CB 2.096 43.857 42.059 -0.496 0.000 1.310 364 L HN 0.528 nan 8.230 nan 0.000 0.409 365 R N 1.500 121.873 120.500 -0.212 0.000 2.668 365 R HA 0.495 4.836 4.340 0.002 0.000 0.272 365 R C -1.584 174.666 176.300 -0.083 0.000 1.019 365 R CA -0.846 55.165 56.100 -0.147 0.000 0.894 365 R CB 2.498 32.753 30.300 -0.075 0.000 1.228 365 R HN 0.590 nan 8.270 nan 0.000 0.460 366 H N 0.057 119.043 119.070 -0.141 0.000 2.759 366 H HA 0.551 5.108 4.556 0.002 0.000 0.354 366 H C -1.100 174.214 175.328 -0.023 0.000 1.074 366 H CA -0.346 55.650 56.048 -0.088 0.000 1.226 366 H CB 2.219 31.919 29.762 -0.102 0.000 1.648 366 H HN 0.791 nan 8.280 nan 0.000 0.529 367 G N 2.786 111.340 108.800 -0.410 0.000 2.452 367 G HA2 0.409 4.370 3.960 0.002 0.000 0.324 367 G HA3 0.409 4.370 3.960 0.002 0.000 0.324 367 G C -1.069 173.728 174.900 -0.172 0.000 1.214 367 G CA -0.502 44.500 45.100 -0.164 0.000 0.947 367 G HN 0.527 nan 8.290 nan 0.000 0.478 368 E N -0.041 120.218 120.200 0.098 0.000 2.238 368 E HA 0.472 4.823 4.350 0.002 0.000 0.267 368 E C -0.985 175.729 176.600 0.191 0.000 0.887 368 E CA -0.618 55.896 56.400 0.189 0.000 0.769 368 E CB 2.111 32.066 29.700 0.424 0.000 1.187 368 E HN 0.493 nan 8.360 nan 0.000 0.416 369 E N 3.241 123.470 120.200 0.049 0.000 2.218 369 E HA 0.325 4.676 4.350 0.002 0.000 0.263 369 E C -1.400 175.124 176.600 -0.126 0.000 0.879 369 E CA -0.547 55.874 56.400 0.035 0.000 0.762 369 E CB 0.741 30.423 29.700 -0.030 0.000 1.166 369 E HN 0.438 nan 8.360 nan 0.000 0.415 370 Y N 1.648 121.909 120.300 -0.066 0.000 2.630 370 Y HA 0.456 5.007 4.550 0.002 0.000 0.337 370 Y C -0.569 175.219 175.900 -0.188 0.000 1.051 370 Y CA -0.889 57.111 58.100 -0.167 0.000 1.121 370 Y CB 2.148 40.445 38.460 -0.272 0.000 1.299 370 Y HN 0.534 nan 8.280 nan 0.000 0.498 371 D N 0.862 121.221 120.400 -0.068 0.000 2.312 371 D HA 0.320 4.961 4.640 0.002 0.000 0.229 371 D C -1.978 174.208 176.300 -0.190 0.000 1.337 371 D CA -0.179 53.752 54.000 -0.114 0.000 0.964 371 D CB 0.425 41.176 40.800 -0.081 0.000 1.456 371 D HN 0.424 nan 8.370 nan 0.000 0.547 372 L N 2.782 123.856 121.223 -0.248 0.000 2.312 372 L HA 0.552 4.894 4.340 0.002 0.000 0.281 372 L C 0.123 176.796 176.870 -0.329 0.000 1.070 372 L CA -0.489 54.143 54.840 -0.346 0.000 0.805 372 L CB 1.390 43.282 42.059 -0.279 0.000 1.174 372 L HN 0.376 nan 8.230 nan 0.000 0.434 373 Q N 3.012 122.415 119.800 -0.662 0.000 2.331 373 Q HA 0.694 5.035 4.340 0.002 0.000 0.272 373 Q C -1.608 173.823 176.000 -0.947 0.000 1.062 373 Q CA -0.554 54.919 55.803 -0.550 0.000 0.806 373 Q CB 2.846 31.395 28.738 -0.315 0.000 1.312 373 Q HN 0.328 nan 8.270 nan 0.000 0.431 374 F N 0.803 120.386 119.950 -0.613 0.000 2.613 374 F HA 0.599 5.128 4.527 0.002 0.000 0.314 374 F C -0.679 174.633 175.800 -0.814 0.000 1.075 374 F CA -1.099 56.471 58.000 -0.716 0.000 0.945 374 F CB 1.412 39.894 39.000 -0.864 0.000 1.310 374 F HN 0.293 nan 8.300 nan 0.000 0.467 375 I N 2.478 122.677 120.570 -0.620 0.000 2.439 375 I HA 0.359 4.530 4.170 0.002 0.000 0.285 375 I C -1.130 174.612 176.117 -0.626 0.000 1.021 375 I CA -0.802 60.171 61.300 -0.545 0.000 1.091 375 I CB 1.136 38.778 38.000 -0.597 0.000 1.242 375 I HN 0.397 nan 8.210 nan 0.000 0.439 376 F N 3.941 123.722 119.950 -0.282 0.000 2.480 376 F HA 0.487 5.015 4.527 0.002 0.000 0.329 376 F C 0.558 176.399 175.800 0.068 0.000 1.091 376 F CA -0.626 57.279 58.000 -0.158 0.000 0.972 376 F CB 1.684 40.425 39.000 -0.432 0.000 1.150 376 F HN 0.369 nan 8.300 nan 0.000 0.467 377 Q N 2.987 122.968 119.800 0.303 0.000 2.322 377 Q HA 0.435 4.776 4.340 0.002 0.000 0.265 377 Q C -1.264 174.840 176.000 0.173 0.000 0.985 377 Q CA -1.181 54.642 55.803 0.033 0.000 0.849 377 Q CB 1.797 30.443 28.738 -0.152 0.000 1.274 377 Q HN 0.675 nan 8.270 nan 0.000 0.449 378 L N 3.517 124.779 121.223 0.066 0.000 2.456 378 L HA 0.242 4.583 4.340 0.002 0.000 0.272 378 L C -1.196 175.518 176.870 -0.260 0.000 1.189 378 L CA 0.559 55.266 54.840 -0.222 0.000 0.846 378 L CB 0.691 42.487 42.059 -0.438 0.000 1.111 378 L HN 0.816 nan 8.230 nan 0.000 0.475 379 C N 3.592 122.726 119.300 -0.278 0.000 2.994 379 C HA 0.748 5.209 4.460 0.002 0.000 0.304 379 C C -0.685 174.187 174.990 -0.197 0.000 1.273 379 C CA -1.073 57.830 59.018 -0.193 0.000 1.537 379 C CB 2.216 29.876 27.740 -0.134 0.000 2.001 379 C HN 0.898 nan 8.230 nan 0.000 0.471 380 K N 0.710 121.043 120.400 -0.111 0.000 2.426 380 K HA 0.901 5.223 4.320 0.002 0.000 0.251 380 K C -1.810 174.795 176.600 0.008 0.000 0.941 380 K CA -0.510 55.725 56.287 -0.086 0.000 0.808 380 K CB 1.377 33.858 32.500 -0.032 0.000 1.265 380 K HN 0.351 nan 8.250 nan 0.000 0.432 381 I N 1.571 122.149 120.570 0.013 0.000 2.439 381 I HA 0.158 4.330 4.170 0.002 0.000 0.285 381 I C -0.692 175.459 176.117 0.056 0.000 1.021 381 I CA -0.377 60.990 61.300 0.110 0.000 1.091 381 I CB 2.105 40.262 38.000 0.261 0.000 1.242 381 I HN 0.644 nan 8.210 nan 0.000 0.439 382 T N 7.043 121.643 114.554 0.077 0.000 2.738 382 T HA 0.297 4.648 4.350 0.002 0.000 0.293 382 T C 0.750 175.488 174.700 0.063 0.000 0.913 382 T CA -0.287 61.843 62.100 0.049 0.000 1.103 382 T CB -0.010 68.886 68.868 0.046 0.000 0.880 382 T HN 0.313 nan 8.240 nan 0.000 0.526 383 L N 5.039 126.288 121.223 0.044 0.000 2.436 383 L HA 0.117 4.458 4.340 0.002 0.000 0.244 383 L C 1.728 178.629 176.870 0.052 0.000 1.396 383 L CA -0.581 54.300 54.840 0.068 0.000 1.217 383 L CB -1.355 40.744 42.059 0.067 0.000 1.420 383 L HN 0.752 nan 8.230 nan 0.000 0.434 384 T N -2.479 112.105 114.554 0.050 0.000 2.732 384 T HA 0.392 4.743 4.350 0.002 0.000 0.287 384 T C 1.444 176.164 174.700 0.033 0.000 0.993 384 T CA -0.030 62.091 62.100 0.035 0.000 0.966 384 T CB 1.503 70.391 68.868 0.032 0.000 1.047 384 T HN 0.317 nan 8.240 nan 0.000 0.527 385 A N 1.022 123.856 122.820 0.023 0.000 1.835 385 A HA -0.083 4.238 4.320 0.002 0.000 0.215 385 A C 1.916 179.514 177.584 0.023 0.000 1.199 385 A CA 2.183 54.231 52.037 0.018 0.000 0.615 385 A CB -1.580 17.427 19.000 0.011 0.000 0.838 385 A HN 0.972 nan 8.150 nan 0.000 0.444 386 D N -0.184 120.230 120.400 0.024 0.000 2.116 386 D HA -0.138 4.503 4.640 0.002 0.000 0.193 386 D C 1.772 178.091 176.300 0.031 0.000 0.998 386 D CA 1.637 55.655 54.000 0.030 0.000 0.836 386 D CB -0.447 40.366 40.800 0.022 0.000 0.951 386 D HN 0.217 nan 8.370 nan 0.000 0.449 387 V N 0.600 120.522 119.914 0.014 0.000 2.287 387 V HA -0.279 3.842 4.120 0.002 0.000 0.248 387 V C 2.367 178.477 176.094 0.027 0.000 1.053 387 V CA 1.570 63.860 62.300 -0.015 0.000 1.027 387 V CB -0.474 31.368 31.823 0.032 0.000 0.646 387 V HN 0.290 nan 8.190 nan 0.000 0.447 388 M N -0.296 119.338 119.600 0.055 0.000 2.159 388 M HA -0.153 4.328 4.480 0.002 0.000 0.263 388 M C 2.265 178.604 176.300 0.066 0.000 1.063 388 M CA 2.008 57.350 55.300 0.071 0.000 1.110 388 M CB -0.774 31.864 32.600 0.063 0.000 1.374 388 M HN 0.472 nan 8.290 nan 0.000 0.411 389 T N -0.393 114.191 114.554 0.050 0.000 2.674 389 T HA -0.208 4.143 4.350 0.002 0.000 0.265 389 T C 1.556 176.306 174.700 0.083 0.000 1.039 389 T CA 1.425 63.554 62.100 0.048 0.000 1.150 389 T CB -0.664 68.227 68.868 0.037 0.000 0.864 389 T HN 0.367 nan 8.240 nan 0.000 0.427 390 Y N 1.744 122.004 120.300 -0.067 0.000 2.049 390 Y HA -0.167 4.384 4.550 0.002 0.000 0.277 390 Y C 2.185 177.969 175.900 -0.193 0.000 1.143 390 Y CA 1.295 59.324 58.100 -0.119 0.000 1.115 390 Y CB -0.512 37.820 38.460 -0.212 0.000 0.975 390 Y HN 0.105 nan 8.280 nan 0.000 0.487 391 I N -0.361 120.198 120.570 -0.019 0.000 2.335 391 I HA -0.377 3.794 4.170 0.002 0.000 0.251 391 I C 2.605 178.563 176.117 -0.266 0.000 1.129 391 I CA 1.679 62.841 61.300 -0.230 0.000 1.402 391 I CB -0.664 37.222 38.000 -0.190 0.000 1.069 391 I HN 0.460 nan 8.210 nan 0.000 0.424 392 H N 0.884 119.837 119.070 -0.195 0.000 2.326 392 H HA -0.116 4.441 4.556 0.002 0.000 0.301 392 H C 2.306 177.512 175.328 -0.203 0.000 1.081 392 H CA 1.982 57.926 56.048 -0.173 0.000 1.334 392 H CB 0.224 29.927 29.762 -0.098 0.000 1.385 392 H HN 0.226 nan 8.280 nan 0.000 0.504 393 S N 1.030 116.646 115.700 -0.141 0.000 2.348 393 S HA -0.176 4.295 4.470 0.002 0.000 0.221 393 S C 2.381 176.782 174.600 -0.331 0.000 1.033 393 S CA 1.354 59.444 58.200 -0.183 0.000 1.010 393 S CB -0.378 62.750 63.200 -0.120 0.000 0.891 393 S HN 0.436 nan 8.310 nan 0.000 0.442 394 M N 1.211 120.499 119.600 -0.519 0.000 2.082 394 M HA -0.140 4.341 4.480 0.002 0.000 0.258 394 M C 0.511 176.435 176.300 -0.627 0.000 1.071 394 M CA 1.647 56.443 55.300 -0.839 0.000 1.103 394 M CB -0.036 31.880 32.600 -1.140 0.000 1.307 394 M HN 0.328 nan 8.290 nan 0.000 0.409 395 N N -0.639 117.727 118.700 -0.556 0.000 2.976 395 N HA 0.112 4.853 4.740 0.002 0.000 0.220 395 N C -0.161 175.092 175.510 -0.429 0.000 1.428 395 N CA -0.160 52.623 53.050 -0.445 0.000 0.748 395 N CB 0.824 39.046 38.487 -0.441 0.000 1.484 395 N HN 0.061 nan 8.380 nan 0.000 0.578 396 S N 0.019 115.447 115.700 -0.453 0.000 2.413 396 S HA -0.252 4.220 4.470 0.002 0.000 0.237 396 S C 2.163 176.597 174.600 -0.277 0.000 1.044 396 S CA 2.397 60.328 58.200 -0.448 0.000 1.024 396 S CB -0.392 62.490 63.200 -0.530 0.000 0.829 396 S HN 0.864 nan 8.310 nan 0.000 0.475 397 T N 0.782 115.191 114.554 -0.243 0.000 2.849 397 T HA -0.056 4.295 4.350 0.002 0.000 0.270 397 T C 1.617 176.162 174.700 -0.259 0.000 1.066 397 T CA 1.146 63.133 62.100 -0.188 0.000 1.130 397 T CB -0.754 68.032 68.868 -0.136 0.000 0.864 397 T HN 0.417 nan 8.240 nan 0.000 0.481 398 I N 1.110 121.451 120.570 -0.382 0.000 2.091 398 I HA -0.199 3.973 4.170 0.002 0.000 0.239 398 I C 2.662 178.358 176.117 -0.702 0.000 1.061 398 I CA 1.792 62.716 61.300 -0.627 0.000 1.317 398 I CB -0.521 37.014 38.000 -0.774 0.000 1.031 398 I HN 0.255 nan 8.210 nan 0.000 0.401 399 L N 0.216 121.206 121.223 -0.388 0.000 2.046 399 L HA -0.195 4.146 4.340 0.002 0.000 0.208 399 L C 2.579 179.458 176.870 0.015 0.000 1.077 399 L CA 1.419 56.219 54.840 -0.067 0.000 0.747 399 L CB -0.745 41.344 42.059 0.051 0.000 0.896 399 L HN 0.278 nan 8.230 nan 0.000 0.432 400 E N 0.211 120.386 120.200 -0.043 0.000 2.085 400 E HA -0.234 4.118 4.350 0.002 0.000 0.194 400 E C 1.636 178.245 176.600 0.016 0.000 0.994 400 E CA 1.437 57.837 56.400 0.000 0.000 0.801 400 E CB -0.207 29.478 29.700 -0.025 0.000 0.743 400 E HN 0.527 nan 8.360 nan 0.000 0.453 401 D N -0.281 120.091 120.400 -0.046 0.000 2.224 401 D HA -0.105 4.537 4.640 0.002 0.000 0.205 401 D C 1.113 177.487 176.300 0.124 0.000 0.965 401 D CA 0.468 54.466 54.000 -0.005 0.000 0.852 401 D CB -0.031 40.726 40.800 -0.072 0.000 0.947 401 D HN 0.115 nan 8.370 nan 0.000 0.494 402 W N 1.886 123.212 121.300 0.044 0.000 1.558 402 W HA 0.003 4.664 4.660 0.002 0.000 0.505 402 W C 1.572 178.117 176.519 0.042 0.000 1.849 402 W CA -0.506 56.870 57.345 0.050 0.000 2.040 402 W CB -1.362 28.133 29.460 0.059 0.000 2.250 402 W HN -0.126 nan 8.180 nan 0.000 0.861 439 D N 5.077 125.510 120.400 0.055 0.000 2.426 439 D HA 0.038 4.679 4.640 0.002 0.000 0.261 439 D C -1.078 175.284 176.300 0.103 0.000 1.245 439 D CA -1.294 52.763 54.000 0.096 0.000 0.917 439 D CB 1.148 42.020 40.800 0.121 0.000 1.123 439 D HN 0.258 nan 8.370 nan 0.000 0.508 440 P HA -0.057 nan 4.420 nan 0.000 0.234 440 P C 0.105 177.509 177.300 0.174 0.000 1.167 440 P CA 0.485 63.652 63.100 0.113 0.000 0.763 440 P CB 0.212 31.971 31.700 0.097 0.000 0.835 441 L N -0.684 120.693 121.223 0.256 0.000 3.209 441 L HA 0.346 4.687 4.340 0.002 0.000 0.279 441 L C 1.913 178.947 176.870 0.274 0.000 1.301 441 L CA -0.029 55.059 54.840 0.413 0.000 1.004 441 L CB 0.077 42.544 42.059 0.680 0.000 1.402 441 L HN -0.259 nan 8.230 nan 0.000 0.577 442 K N 0.810 121.275 120.400 0.108 0.000 2.209 442 K HA -0.119 4.202 4.320 0.002 0.000 0.204 442 K C 1.590 178.141 176.600 -0.081 0.000 1.048 442 K CA 1.018 57.329 56.287 0.039 0.000 0.940 442 K CB 0.326 32.834 32.500 0.013 0.000 0.729 442 K HN 0.266 nan 8.250 nan 0.000 0.451 443 K N 0.138 120.399 120.400 -0.232 0.000 2.097 443 K HA -0.126 4.195 4.320 0.002 0.000 0.206 443 K C 0.556 176.873 176.600 -0.471 0.000 1.049 443 K CA 1.144 57.178 56.287 -0.422 0.000 0.933 443 K CB -0.242 31.835 32.500 -0.705 0.000 0.717 443 K HN 0.191 nan 8.250 nan 0.000 0.442 444 Y N 0.793 120.994 120.300 -0.166 0.000 2.354 444 Y HA 0.167 4.718 4.550 0.002 0.000 0.322 444 Y C 0.925 176.450 175.900 -0.626 0.000 1.253 444 Y CA -0.872 56.992 58.100 -0.393 0.000 1.272 444 Y CB 0.997 39.179 38.460 -0.464 0.000 1.255 444 Y HN -0.118 nan 8.280 nan 0.000 0.500 445 T N -0.100 114.117 114.554 -0.562 0.000 2.824 445 T HA 0.807 5.158 4.350 0.002 0.000 0.282 445 T C -1.162 173.203 174.700 -0.559 0.000 0.993 445 T CA -0.717 61.094 62.100 -0.482 0.000 0.967 445 T CB 0.479 69.237 68.868 -0.182 0.000 0.960 445 T HN 0.401 nan 8.240 nan 0.000 0.441 446 F N -0.215 119.817 119.950 0.137 0.000 2.643 446 F HA 0.564 5.092 4.527 0.002 0.000 0.314 446 F C -0.503 175.403 175.800 0.177 0.000 1.096 446 F CA -2.067 56.020 58.000 0.145 0.000 0.953 446 F CB 0.892 40.016 39.000 0.208 0.000 1.345 446 F HN 0.633 nan 8.300 nan 0.000 0.468 447 W N 3.945 125.359 121.300 0.191 0.000 2.692 447 W HA 0.165 4.827 4.660 0.002 0.000 0.339 447 W C -0.314 176.335 176.519 0.218 0.000 1.415 447 W CA -0.027 57.409 57.345 0.151 0.000 1.389 447 W CB 0.015 29.516 29.460 0.068 0.000 1.492 447 W HN 0.474 nan 8.180 nan 0.000 0.545 448 E N 4.028 124.542 120.200 0.522 0.000 2.324 448 E HA 0.158 4.509 4.350 0.002 0.000 0.271 448 E C -0.604 176.269 176.600 0.456 0.000 1.028 448 E CA -0.166 56.490 56.400 0.427 0.000 0.890 448 E CB 1.742 31.647 29.700 0.342 0.000 1.004 448 E HN 0.132 nan 8.360 nan 0.000 0.431 449 V N 4.451 124.537 119.914 0.287 0.000 2.443 449 V HA 0.181 4.302 4.120 0.002 0.000 0.293 449 V C 0.087 176.270 176.094 0.149 0.000 1.021 449 V CA -0.934 61.477 62.300 0.185 0.000 0.848 449 V CB 1.691 33.533 31.823 0.031 0.000 0.998 449 V HN 0.500 nan 8.190 nan 0.000 0.424 450 N N 4.620 123.415 118.700 0.158 0.000 2.426 450 N HA 0.429 5.170 4.740 0.002 0.000 0.257 450 N C 0.085 175.632 175.510 0.061 0.000 1.002 450 N CA -0.280 52.844 53.050 0.124 0.000 0.942 450 N CB 1.727 40.274 38.487 0.099 0.000 1.112 450 N HN 0.656 nan 8.380 nan 0.000 0.499 451 L N 3.334 124.570 121.223 0.021 0.000 2.808 451 L HA 0.186 4.527 4.340 0.002 0.000 0.246 451 L C 1.643 178.518 176.870 0.009 0.000 1.153 451 L CA -0.004 54.853 54.840 0.029 0.000 0.956 451 L CB 0.267 42.333 42.059 0.012 0.000 1.270 451 L HN 0.360 nan 8.230 nan 0.000 0.528 452 K N 0.804 121.173 120.400 -0.052 0.000 2.218 452 K HA -0.200 4.121 4.320 0.002 0.000 0.205 452 K C 1.133 177.726 176.600 -0.011 0.000 1.046 452 K CA 1.359 57.582 56.287 -0.106 0.000 0.933 452 K CB 0.056 32.522 32.500 -0.057 0.000 0.728 452 K HN 0.181 nan 8.250 nan 0.000 0.454 453 E N -0.331 119.901 120.200 0.054 0.000 2.501 453 E HA 0.055 4.406 4.350 0.002 0.000 0.200 453 E C 0.484 177.174 176.600 0.150 0.000 1.016 453 E CA -0.001 56.458 56.400 0.099 0.000 0.921 453 E CB 0.615 30.360 29.700 0.076 0.000 1.034 453 E HN 0.003 nan 8.360 nan 0.000 0.468 454 K N -0.278 120.235 120.400 0.188 0.000 2.358 454 K HA 0.162 4.483 4.320 0.002 0.000 0.200 454 K C -0.296 176.453 176.600 0.249 0.000 1.030 454 K CA -0.067 56.337 56.287 0.194 0.000 1.097 454 K CB 0.357 32.928 32.500 0.119 0.000 0.862 454 K HN 0.022 nan 8.250 nan 0.000 0.534 455 F N 1.489 121.441 119.950 0.004 0.000 2.484 455 F HA 0.140 4.669 4.527 0.002 0.000 0.360 455 F C 0.967 176.940 175.800 0.289 0.000 1.101 455 F CA -0.285 57.751 58.000 0.059 0.000 1.251 455 F CB 0.872 39.787 39.000 -0.141 0.000 1.132 455 F HN -0.267 nan 8.300 nan 0.000 0.570 456 S N 1.682 117.612 115.700 0.384 0.000 2.548 456 S HA 0.670 5.141 4.470 0.002 0.000 0.276 456 S C 0.253 174.892 174.600 0.066 0.000 1.129 456 S CA -0.194 58.194 58.200 0.313 0.000 0.931 456 S CB 1.459 64.844 63.200 0.308 0.000 1.068 456 S HN 0.748 nan 8.310 nan 0.000 0.480 457 A N 2.651 125.399 122.820 -0.120 0.000 2.169 457 A HA 0.195 4.517 4.320 0.002 0.000 0.212 457 A C 0.306 177.835 177.584 -0.091 0.000 1.153 457 A CA 0.497 52.269 52.037 -0.442 0.000 0.756 457 A CB -0.182 18.589 19.000 -0.382 0.000 0.813 457 A HN 0.806 nan 8.150 nan 0.000 0.471 458 D N 1.126 121.569 120.400 0.071 0.000 2.631 458 D HA 0.266 4.907 4.640 0.002 0.000 0.227 458 D C 1.170 177.584 176.300 0.189 0.000 1.146 458 D CA -0.167 53.895 54.000 0.103 0.000 1.009 458 D CB 0.413 41.258 40.800 0.075 0.000 1.057 458 D HN 0.348 nan 8.370 nan 0.000 0.509 459 L N -0.009 121.314 121.223 0.166 0.000 2.089 459 L HA -0.250 4.091 4.340 0.002 0.000 0.213 459 L C 2.115 179.083 176.870 0.162 0.000 1.079 459 L CA 1.081 56.052 54.840 0.217 0.000 0.758 459 L CB -0.406 41.761 42.059 0.180 0.000 0.891 459 L HN 0.172 nan 8.230 nan 0.000 0.433 460 D N 0.238 120.680 120.400 0.069 0.000 2.157 460 D HA -0.224 4.417 4.640 0.002 0.000 0.191 460 D C 2.091 178.333 176.300 -0.096 0.000 1.004 460 D CA 1.387 55.383 54.000 -0.007 0.000 0.854 460 D CB -0.001 40.786 40.800 -0.021 0.000 0.936 460 D HN 0.283 nan 8.370 nan 0.000 0.446 461 Q N -0.950 118.723 119.800 -0.212 0.000 2.515 461 Q HA 0.044 4.385 4.340 0.002 0.000 0.212 461 Q C -0.288 175.144 176.000 -0.947 0.000 0.970 461 Q CA 0.336 55.806 55.803 -0.555 0.000 0.941 461 Q CB -0.109 28.202 28.738 -0.712 0.000 0.998 461 Q HN 0.332 nan 8.270 nan 0.000 0.518 462 F N -0.103 119.721 119.950 -0.210 0.000 2.577 462 F HA 0.297 4.825 4.527 0.002 0.000 0.318 462 F C -1.481 174.239 175.800 -0.133 0.000 1.065 462 F CA -2.495 55.337 58.000 -0.280 0.000 0.929 462 F CB 1.489 40.014 39.000 -0.791 0.000 1.237 462 F HN -0.266 nan 8.300 nan 0.000 0.468 463 P HA -0.167 nan 4.420 nan 0.000 0.216 463 P C 1.799 179.168 177.300 0.115 0.000 1.153 463 P CA 1.418 64.561 63.100 0.070 0.000 0.848 463 P CB 0.702 32.429 31.700 0.044 0.000 0.787 464 L N -0.595 120.725 121.223 0.162 0.000 2.141 464 L HA -0.036 4.305 4.340 0.002 0.000 0.209 464 L C 2.476 179.515 176.870 0.283 0.000 1.094 464 L CA 1.860 56.804 54.840 0.174 0.000 0.763 464 L CB -1.170 40.953 42.059 0.108 0.000 0.908 464 L HN 0.026 nan 8.230 nan 0.000 0.437 465 G N -0.319 108.650 108.800 0.282 0.000 2.404 465 G HA2 -0.252 3.709 3.960 0.002 0.000 0.215 465 G HA3 -0.252 3.709 3.960 0.002 0.000 0.215 465 G C 1.624 176.650 174.900 0.211 0.000 1.174 465 G CA 0.418 45.679 45.100 0.268 0.000 0.780 465 G HN 0.303 nan 8.290 nan 0.000 0.537 466 R N 0.474 121.054 120.500 0.133 0.000 2.080 466 R HA -0.021 4.320 4.340 0.002 0.000 0.236 466 R C 2.684 179.033 176.300 0.082 0.000 1.137 466 R CA 1.539 57.680 56.100 0.069 0.000 0.943 466 R CB -0.300 30.019 30.300 0.032 0.000 0.846 466 R HN 0.271 nan 8.270 nan 0.000 0.431 467 K N -0.079 120.410 120.400 0.149 0.000 2.059 467 K HA -0.228 4.093 4.320 0.002 0.000 0.212 467 K C 1.975 178.684 176.600 0.181 0.000 1.050 467 K CA 1.832 58.245 56.287 0.209 0.000 0.927 467 K CB -0.383 32.311 32.500 0.324 0.000 0.714 467 K HN 0.096 nan 8.250 nan 0.000 0.447 468 F N 1.921 121.916 119.950 0.074 0.000 2.102 468 F HA -0.185 4.343 4.527 0.002 0.000 0.298 468 F C 1.861 177.442 175.800 -0.364 0.000 1.105 468 F CA 1.340 59.148 58.000 -0.321 0.000 1.239 468 F CB -0.362 38.547 39.000 -0.151 0.000 0.991 468 F HN -0.094 nan 8.300 nan 0.000 0.474 469 L N -0.435 120.615 121.223 -0.289 0.000 1.989 469 L HA -0.237 4.104 4.340 0.002 0.000 0.211 469 L C 2.490 179.134 176.870 -0.377 0.000 1.071 469 L CA 1.246 55.855 54.840 -0.385 0.000 0.749 469 L CB -0.999 40.974 42.059 -0.144 0.000 0.890 469 L HN 0.283 nan 8.230 nan 0.000 0.431 470 L N -0.294 120.789 121.223 -0.233 0.000 2.042 470 L HA -0.262 4.079 4.340 0.002 0.000 0.210 470 L C 2.594 179.305 176.870 -0.264 0.000 1.076 470 L CA 1.819 56.545 54.840 -0.190 0.000 0.749 470 L CB -0.897 41.104 42.059 -0.096 0.000 0.893 470 L HN 0.339 nan 8.230 nan 0.000 0.432 471 Q N -0.877 118.703 119.800 -0.366 0.000 2.016 471 Q HA -0.173 4.168 4.340 0.002 0.000 0.200 471 Q C 1.866 177.533 176.000 -0.554 0.000 0.978 471 Q CA 1.373 56.899 55.803 -0.461 0.000 0.833 471 Q CB -0.307 27.997 28.738 -0.723 0.000 0.895 471 Q HN 0.449 nan 8.270 nan 0.000 0.427 472 L N 0.564 121.309 121.223 -0.796 0.000 2.627 472 L HA 0.031 4.372 4.340 0.002 0.000 0.233 472 L C 1.484 178.072 176.870 -0.471 0.000 1.144 472 L CA 1.373 55.789 54.840 -0.708 0.000 0.892 472 L CB -1.299 40.108 42.059 -1.087 0.000 1.039 472 L HN 0.516 nan 8.230 nan 0.000 0.442 473 G N 1.053 109.626 108.800 -0.379 0.000 4.011 473 G HA2 -0.396 3.565 3.960 0.002 0.000 0.348 473 G HA3 -0.396 3.565 3.960 0.002 0.000 0.348 473 G C 0.590 175.346 174.900 -0.240 0.000 1.310 473 G CA 0.972 45.920 45.100 -0.254 0.000 1.056 473 G HN 0.447 nan 8.290 nan 0.000 0.728 474 L N 0.000 121.096 121.223 -0.211 0.000 2.949 474 L HA 0.000 4.341 4.340 0.002 0.000 0.249 474 L CA 0.000 54.744 54.840 -0.160 0.000 0.813 474 L CB 0.000 42.000 42.059 -0.099 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502