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 2wss_1_J DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLGKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.281 176.300 -0.032 0.000 2.045 24 D CA 0.000 53.988 54.000 -0.020 0.000 0.868 24 D CB 0.000 40.788 40.800 -0.021 0.000 0.688 25 L N 1.679 122.879 121.223 -0.038 0.000 2.407 25 L HA 0.691 5.031 4.340 -0.000 0.000 0.282 25 L C 0.674 177.493 176.870 -0.085 0.000 1.110 25 L CA 0.495 55.290 54.840 -0.075 0.000 0.863 25 L CB 0.740 42.737 42.059 -0.103 0.000 1.207 25 L HN 0.631 nan 8.230 nan 0.000 0.454 26 E N 0.787 120.937 120.200 -0.084 0.000 1.428 26 E HA -0.047 4.303 4.350 -0.000 0.000 0.193 26 E C 0.069 176.631 176.600 -0.062 0.000 0.800 26 E CA 0.411 56.769 56.400 -0.069 0.000 1.037 26 E CB 0.341 30.012 29.700 -0.049 0.000 4.011 26 E HN 0.831 nan 8.360 nan 0.000 0.600 27 E N -0.299 119.862 120.200 -0.065 0.000 2.581 27 E HA 0.069 4.419 4.350 -0.000 0.000 0.195 27 E C 0.020 176.578 176.600 -0.071 0.000 0.936 27 E CA 0.779 57.142 56.400 -0.062 0.000 1.387 27 E CB 1.387 31.058 29.700 -0.048 0.000 1.424 27 E HN 0.219 nan 8.360 nan 0.000 0.742 28 T N -1.085 113.425 114.554 -0.072 0.000 2.926 28 T HA 0.838 5.188 4.350 -0.000 0.000 0.289 28 T C 0.390 175.035 174.700 -0.092 0.000 1.054 28 T CA -0.534 61.520 62.100 -0.078 0.000 1.015 28 T CB 2.662 71.498 68.868 -0.054 0.000 1.167 28 T HN 0.081 nan 8.240 nan 0.000 0.526 29 G N 0.136 108.883 108.800 -0.089 0.000 2.649 29 G HA2 0.688 4.648 3.960 -0.000 0.000 0.290 29 G HA3 0.688 4.648 3.960 -0.000 0.000 0.290 29 G C -1.796 173.084 174.900 -0.033 0.000 1.426 29 G CA -1.357 43.695 45.100 -0.081 0.000 0.794 29 G HN 0.957 nan 8.290 nan 0.000 0.483 30 R N -0.939 119.576 120.500 0.026 0.000 2.744 30 R HA 0.681 5.021 4.340 -0.000 0.000 0.279 30 R C -1.050 175.300 176.300 0.084 0.000 0.977 30 R CA -0.923 55.208 56.100 0.052 0.000 0.906 30 R CB 2.132 32.470 30.300 0.063 0.000 1.197 30 R HN 0.284 nan 8.270 nan 0.000 0.463 31 V N 4.300 124.272 119.914 0.097 0.000 2.420 31 V HA -0.046 4.074 4.120 -0.000 0.000 0.274 31 V C 1.491 177.640 176.094 0.091 0.000 1.003 31 V CA 0.364 62.737 62.300 0.123 0.000 1.092 31 V CB -0.189 31.732 31.823 0.164 0.000 1.002 31 V HN 0.719 nan 8.190 nan 0.000 0.473 32 L N 3.928 125.202 121.223 0.086 0.000 2.217 32 L HA 0.050 4.390 4.340 -0.000 0.000 0.211 32 L C 0.946 177.843 176.870 0.045 0.000 1.107 32 L CA 1.017 55.891 54.840 0.057 0.000 0.783 32 L CB -0.090 42.001 42.059 0.052 0.000 0.919 32 L HN 0.898 nan 8.230 nan 0.000 0.442 33 S N -1.013 114.720 115.700 0.055 0.000 2.622 33 S HA 0.548 5.018 4.470 -0.000 0.000 0.275 33 S C -1.123 173.504 174.600 0.045 0.000 1.112 33 S CA -0.992 57.232 58.200 0.040 0.000 0.837 33 S CB 2.059 65.275 63.200 0.026 0.000 1.082 33 S HN 0.054 nan 8.310 nan 0.000 0.456 34 I N -0.289 120.296 120.570 0.025 0.000 2.715 34 I HA 0.815 4.985 4.170 -0.000 0.000 0.288 34 I C -0.602 175.510 176.117 -0.008 0.000 1.371 34 I CA 0.580 61.887 61.300 0.011 0.000 1.056 34 I CB 1.350 39.351 38.000 0.003 0.000 1.339 34 I HN 1.470 nan 8.210 nan 0.000 0.425 35 G N 3.992 112.784 108.800 -0.015 0.000 2.632 35 G HA2 0.443 4.403 3.960 -0.000 0.000 0.292 35 G HA3 0.443 4.403 3.960 -0.000 0.000 0.292 35 G C -1.135 173.747 174.900 -0.029 0.000 1.465 35 G CA -0.327 44.760 45.100 -0.023 0.000 0.824 35 G HN 0.745 nan 8.290 nan 0.000 0.509 36 D N -0.574 119.806 120.400 -0.034 0.000 2.737 36 D HA -0.211 4.429 4.640 -0.000 0.000 0.233 36 D C 1.637 177.909 176.300 -0.046 0.000 1.155 36 D CA 2.692 56.668 54.000 -0.039 0.000 0.667 36 D CB -1.095 39.681 40.800 -0.039 0.000 1.060 36 D HN 2.170 nan 8.370 nan 0.000 0.427 37 G N -1.076 107.695 108.800 -0.049 0.000 2.184 37 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.264 37 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.264 37 G C 0.306 175.185 174.900 -0.036 0.000 0.975 37 G CA 0.387 45.455 45.100 -0.053 0.000 0.642 37 G HN 0.506 nan 8.290 nan 0.000 0.536 38 I N 0.900 121.454 120.570 -0.025 0.000 2.377 38 I HA 0.651 4.821 4.170 -0.000 0.000 0.293 38 I C 0.438 176.572 176.117 0.028 0.000 0.987 38 I CA -0.462 60.840 61.300 0.002 0.000 1.185 38 I CB 1.588 39.583 38.000 -0.009 0.000 1.341 38 I HN 0.330 nan 8.210 nan 0.000 0.455 39 A N 7.432 130.302 122.820 0.084 0.000 2.360 39 A HA 0.549 4.869 4.320 -0.000 0.000 0.309 39 A C -0.129 177.540 177.584 0.142 0.000 1.311 39 A CA -0.789 51.332 52.037 0.141 0.000 0.805 39 A CB 0.550 19.722 19.000 0.287 0.000 1.144 39 A HN 0.590 nan 8.150 nan 0.000 0.486 40 R N 1.188 121.745 120.500 0.095 0.000 2.389 40 R HA 0.468 4.808 4.340 -0.000 0.000 0.295 40 R C -0.835 175.521 176.300 0.093 0.000 1.075 40 R CA -0.147 56.001 56.100 0.079 0.000 1.005 40 R CB 1.241 31.574 30.300 0.055 0.000 0.987 40 R HN 0.377 nan 8.270 nan 0.000 0.452 41 V N 2.984 122.947 119.914 0.081 0.000 2.686 41 V HA 0.108 4.228 4.120 -0.000 0.000 0.306 41 V C -0.578 175.570 176.094 0.091 0.000 1.065 41 V CA -0.918 61.428 62.300 0.077 0.000 0.894 41 V CB 1.961 33.802 31.823 0.030 0.000 1.004 41 V HN 0.732 nan 8.190 nan 0.000 0.424 42 H N 3.006 122.079 119.070 0.005 0.000 2.610 42 H HA 0.673 5.229 4.556 -0.000 0.000 0.336 42 H C 0.583 175.904 175.328 -0.011 0.000 1.087 42 H CA 1.516 57.564 56.048 -0.001 0.000 1.405 42 H CB 1.155 30.919 29.762 0.002 0.000 1.460 42 H HN 1.059 nan 8.280 nan 0.000 0.538 43 G N 3.169 111.587 108.800 -0.636 0.000 2.826 43 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.233 43 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.233 43 G C 0.233 174.998 174.900 -0.225 0.000 1.296 43 G CA -0.329 44.484 45.100 -0.479 0.000 1.001 43 G HN 1.034 nan 8.290 nan 0.000 0.576 44 L N 0.296 121.424 121.223 -0.158 0.000 3.983 44 L HA -0.232 4.108 4.340 -0.000 0.000 0.453 44 L C 2.132 178.947 176.870 -0.093 0.000 1.119 44 L CA 0.904 55.678 54.840 -0.110 0.000 0.924 44 L CB -0.680 41.321 42.059 -0.096 0.000 1.831 44 L HN 0.570 nan 8.230 nan 0.000 1.001 45 R N 0.025 120.461 120.500 -0.107 0.000 2.397 45 R HA -0.048 4.292 4.340 -0.000 0.000 0.213 45 R C 1.268 177.536 176.300 -0.053 0.000 1.102 45 R CA 0.665 56.716 56.100 -0.081 0.000 1.040 45 R CB -0.407 29.841 30.300 -0.088 0.000 0.844 45 R HN 0.548 nan 8.270 nan 0.000 0.478 46 N N -0.143 118.527 118.700 -0.051 0.000 2.143 46 N HA 0.007 4.747 4.740 -0.000 0.000 0.222 46 N C -0.126 175.364 175.510 -0.034 0.000 1.264 46 N CA 0.058 53.086 53.050 -0.037 0.000 0.897 46 N CB 1.115 39.581 38.487 -0.036 0.000 1.092 46 N HN -0.078 nan 8.380 nan 0.000 0.516 47 V N 0.532 120.423 119.914 -0.039 0.000 2.872 47 V HA 0.120 4.240 4.120 -0.000 0.000 0.307 47 V C 0.489 176.573 176.094 -0.018 0.000 1.072 47 V CA -0.390 61.891 62.300 -0.032 0.000 1.148 47 V CB 0.360 32.162 31.823 -0.035 0.000 0.954 47 V HN 0.057 nan 8.190 nan 0.000 0.490 48 Q N 2.300 122.093 119.800 -0.012 0.000 2.260 48 Q HA 0.665 5.005 4.340 -0.000 0.000 0.238 48 Q C 0.220 176.225 176.000 0.008 0.000 0.948 48 Q CA -0.444 55.359 55.803 -0.001 0.000 0.895 48 Q CB 1.178 29.916 28.738 0.001 0.000 1.218 48 Q HN 1.091 nan 8.270 nan 0.000 0.470 49 A N 1.620 124.450 122.820 0.017 0.000 2.522 49 A HA 0.059 4.379 4.320 -0.000 0.000 0.256 49 A C 0.102 177.707 177.584 0.036 0.000 1.086 49 A CA 0.361 52.415 52.037 0.029 0.000 0.763 49 A CB -0.482 18.539 19.000 0.034 0.000 1.024 49 A HN 0.958 nan 8.150 nan 0.000 0.502 50 E N -0.336 119.891 120.200 0.046 0.000 3.898 50 E HA -0.183 4.167 4.350 -0.000 0.000 0.328 50 E C 0.214 176.843 176.600 0.049 0.000 0.770 50 E CA 1.123 57.561 56.400 0.064 0.000 1.267 50 E CB -1.458 28.282 29.700 0.067 0.000 1.646 50 E HN 0.982 nan 8.360 nan 0.000 0.420 51 E N 0.410 120.626 120.200 0.025 0.000 2.404 51 E HA 0.125 4.475 4.350 -0.000 0.000 0.261 51 E C -0.072 176.524 176.600 -0.007 0.000 1.074 51 E CA 0.006 56.407 56.400 0.001 0.000 0.917 51 E CB 0.598 30.290 29.700 -0.014 0.000 0.965 51 E HN 0.005 nan 8.360 nan 0.000 0.433 52 M N 4.213 123.788 119.600 -0.041 0.000 2.157 52 M HA 0.216 4.696 4.480 -0.000 0.000 0.354 52 M C -0.624 175.620 176.300 -0.092 0.000 1.170 52 M CA -0.677 54.572 55.300 -0.085 0.000 1.060 52 M CB 1.068 33.585 32.600 -0.140 0.000 1.615 52 M HN 0.477 nan 8.290 nan 0.000 0.460 53 V N 1.550 121.403 119.914 -0.100 0.000 3.019 53 V HA 0.680 4.800 4.120 -0.000 0.000 0.317 53 V C -0.727 175.284 176.094 -0.138 0.000 1.094 53 V CA -0.880 61.337 62.300 -0.138 0.000 1.000 53 V CB 2.092 33.797 31.823 -0.198 0.000 1.060 53 V HN 0.903 nan 8.190 nan 0.000 0.443 54 E N 1.097 121.203 120.200 -0.158 0.000 2.171 54 E HA 0.555 4.905 4.350 -0.000 0.000 0.271 54 E C -1.563 174.940 176.600 -0.162 0.000 0.916 54 E CA -0.717 55.633 56.400 -0.082 0.000 0.774 54 E CB 1.509 31.183 29.700 -0.043 0.000 1.128 54 E HN 0.630 nan 8.360 nan 0.000 0.403 55 F N 2.167 122.114 119.950 -0.005 0.000 2.375 55 F HA 0.072 4.599 4.527 -0.000 0.000 0.333 55 F C 1.920 177.722 175.800 0.004 0.000 1.104 55 F CA 0.183 58.186 58.000 0.005 0.000 1.149 55 F CB 1.461 40.471 39.000 0.016 0.000 1.190 55 F HN 0.674 nan 8.300 nan 0.000 0.533 56 S N 0.290 116.096 115.700 0.177 0.000 2.378 56 S HA -0.295 4.175 4.470 -0.000 0.000 0.229 56 S C 1.863 176.528 174.600 0.108 0.000 1.052 56 S CA 1.668 59.932 58.200 0.106 0.000 1.084 56 S CB -1.267 61.990 63.200 0.095 0.000 0.950 56 S HN 0.699 nan 8.310 nan 0.000 0.440 57 S N 0.734 116.515 115.700 0.134 0.000 2.723 57 S HA 0.402 4.872 4.470 -0.000 0.000 0.231 57 S C 1.587 176.236 174.600 0.083 0.000 0.967 57 S CA 0.615 58.866 58.200 0.085 0.000 0.958 57 S CB -0.832 62.401 63.200 0.056 0.000 0.778 57 S HN 1.632 nan 8.310 nan 0.000 0.537 58 G N 0.460 109.326 108.800 0.110 0.000 2.241 58 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.244 58 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.244 58 G C 0.052 175.015 174.900 0.106 0.000 0.998 58 G CA 0.052 45.203 45.100 0.086 0.000 0.621 58 G HN 0.517 nan 8.290 nan 0.000 0.519 59 L N 0.617 121.924 121.223 0.141 0.000 2.482 59 L HA 0.326 4.666 4.340 -0.000 0.000 0.273 59 L C 0.632 177.647 176.870 0.241 0.000 1.228 59 L CA 0.014 54.938 54.840 0.140 0.000 0.827 59 L CB 0.385 42.460 42.059 0.028 0.000 1.099 59 L HN -0.008 nan 8.230 nan 0.000 0.494 60 K N 1.150 121.653 120.400 0.171 0.000 2.138 60 K HA 0.632 4.952 4.320 -0.000 0.000 0.263 60 K C -0.167 176.555 176.600 0.204 0.000 0.965 60 K CA -0.364 55.969 56.287 0.075 0.000 0.868 60 K CB 1.843 34.237 32.500 -0.177 0.000 1.083 60 K HN 0.747 nan 8.250 nan 0.000 0.443 61 G N 0.800 109.691 108.800 0.153 0.000 2.672 61 G HA2 0.668 4.628 3.960 -0.000 0.000 0.292 61 G HA3 0.668 4.628 3.960 -0.000 0.000 0.292 61 G C -1.430 173.590 174.900 0.200 0.000 1.375 61 G CA -0.615 44.710 45.100 0.374 0.000 0.890 61 G HN 0.440 nan 8.290 nan 0.000 0.476 62 M N 0.692 120.521 119.600 0.381 0.000 2.465 62 M HA 0.477 4.957 4.480 -0.000 0.000 0.316 62 M C -0.504 175.902 176.300 0.177 0.000 1.121 62 M CA -0.620 54.847 55.300 0.280 0.000 0.934 62 M CB 2.191 35.078 32.600 0.478 0.000 1.692 62 M HN 0.376 nan 8.290 nan 0.000 0.444 63 S N 4.935 120.699 115.700 0.107 0.000 2.835 63 S HA 0.317 4.787 4.470 -0.000 0.000 0.286 63 S C 0.873 175.511 174.600 0.064 0.000 1.194 63 S CA -0.470 57.771 58.200 0.068 0.000 1.031 63 S CB -0.124 63.095 63.200 0.031 0.000 1.216 63 S HN 0.647 nan 8.310 nan 0.000 0.502 64 L N 1.555 122.813 121.223 0.059 0.000 2.168 64 L HA 0.185 4.525 4.340 -0.000 0.000 0.203 64 L C 0.090 176.976 176.870 0.027 0.000 1.078 64 L CA 0.448 55.313 54.840 0.041 0.000 0.780 64 L CB -0.249 41.814 42.059 0.007 0.000 0.939 64 L HN 0.339 nan 8.230 nan 0.000 0.451 65 N N 1.444 120.155 118.700 0.019 0.000 2.439 65 N HA 0.322 5.062 4.740 -0.000 0.000 0.249 65 N C -0.810 174.713 175.510 0.020 0.000 1.003 65 N CA 0.009 53.069 53.050 0.017 0.000 0.942 65 N CB 1.009 39.502 38.487 0.009 0.000 1.115 65 N HN 0.079 nan 8.380 nan 0.000 0.505 66 L N 2.112 123.347 121.223 0.020 0.000 2.358 66 L HA 0.267 4.607 4.340 -0.000 0.000 0.274 66 L C 0.666 177.545 176.870 0.016 0.000 1.136 66 L CA -0.214 54.635 54.840 0.015 0.000 0.970 66 L CB -0.220 41.847 42.059 0.013 0.000 1.314 66 L HN 0.420 nan 8.230 nan 0.000 0.427 67 E N 3.201 123.411 120.200 0.017 0.000 2.351 67 E HA 0.158 4.508 4.350 -0.000 0.000 0.255 67 E C -1.429 175.184 176.600 0.020 0.000 1.188 67 E CA -1.586 54.825 56.400 0.019 0.000 0.940 67 E CB 0.733 30.445 29.700 0.020 0.000 1.094 67 E HN 0.288 nan 8.360 nan 0.000 0.474 68 P HA -0.095 nan 4.420 nan 0.000 0.220 68 P C 0.301 177.621 177.300 0.034 0.000 1.152 68 P CA 1.134 64.248 63.100 0.022 0.000 0.812 68 P CB 0.178 31.890 31.700 0.020 0.000 0.792 69 D N -1.014 119.413 120.400 0.045 0.000 2.479 69 D HA 0.078 4.718 4.640 -0.000 0.000 0.218 69 D C -0.218 176.150 176.300 0.113 0.000 1.177 69 D CA -0.342 53.704 54.000 0.076 0.000 0.830 69 D CB -0.752 40.081 40.800 0.056 0.000 1.014 69 D HN 0.334 nan 8.370 nan 0.000 0.503 70 N N -1.937 116.809 118.700 0.077 0.000 4.107 70 N HA 0.157 4.897 4.740 -0.000 0.000 0.213 70 N C -2.225 173.308 175.510 0.039 0.000 1.216 70 N CA -0.906 52.192 53.050 0.079 0.000 0.925 70 N CB 1.139 39.677 38.487 0.085 0.000 1.541 70 N HN -0.210 nan 8.380 nan 0.000 0.524 71 V N 0.849 120.779 119.914 0.027 0.000 2.407 71 V HA 0.715 4.835 4.120 -0.000 0.000 0.278 71 V C 0.803 176.919 176.094 0.036 0.000 1.037 71 V CA -0.048 62.264 62.300 0.019 0.000 0.900 71 V CB 1.036 32.858 31.823 -0.002 0.000 0.983 71 V HN 0.831 nan 8.190 nan 0.000 0.459 72 G N 4.565 113.387 108.800 0.036 0.000 2.327 72 G HA2 0.514 4.474 3.960 -0.000 0.000 0.302 72 G HA3 0.514 4.474 3.960 -0.000 0.000 0.302 72 G C -0.824 174.111 174.900 0.058 0.000 1.113 72 G CA -0.159 44.967 45.100 0.043 0.000 0.921 72 G HN 0.533 nan 8.290 nan 0.000 0.425 73 V N 3.246 123.217 119.914 0.095 0.000 2.604 73 V HA 0.405 4.525 4.120 -0.000 0.000 0.305 73 V C -0.103 176.088 176.094 0.162 0.000 1.043 73 V CA -0.869 61.517 62.300 0.145 0.000 0.888 73 V CB 1.912 33.854 31.823 0.198 0.000 0.995 73 V HN 0.518 nan 8.190 nan 0.000 0.429 74 V N 6.251 126.261 119.914 0.160 0.000 2.439 74 V HA 0.462 4.582 4.120 -0.000 0.000 0.282 74 V C -0.200 176.023 176.094 0.214 0.000 1.039 74 V CA -0.190 62.178 62.300 0.114 0.000 0.913 74 V CB 2.018 33.852 31.823 0.019 0.000 0.983 74 V HN 0.641 nan 8.190 nan 0.000 0.460 75 V N 7.995 127.978 119.914 0.114 0.000 2.368 75 V HA 0.281 4.401 4.120 -0.000 0.000 0.266 75 V C -0.051 176.132 176.094 0.148 0.000 1.045 75 V CA -0.293 62.081 62.300 0.123 0.000 0.899 75 V CB 0.652 32.428 31.823 -0.077 0.000 1.006 75 V HN 0.746 nan 8.190 nan 0.000 0.470 76 F N 4.780 124.756 119.950 0.042 0.000 2.677 76 F HA 0.550 5.077 4.527 -0.000 0.000 0.358 76 F C 1.193 177.000 175.800 0.011 0.000 1.266 76 F CA 0.449 58.475 58.000 0.043 0.000 1.262 76 F CB -0.325 38.715 39.000 0.068 0.000 1.684 76 F HN 0.712 nan 8.300 nan 0.000 0.671 77 G N 0.987 109.845 108.800 0.096 0.000 2.347 77 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.321 77 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.321 77 G C -1.345 173.549 174.900 -0.010 0.000 1.412 77 G CA -1.404 43.724 45.100 0.047 0.000 0.990 77 G HN 0.262 nan 8.290 nan 0.000 0.637 78 N N 0.042 118.733 118.700 -0.014 0.000 2.407 78 N HA 0.170 4.910 4.740 -0.000 0.000 0.250 78 N C 0.908 176.382 175.510 -0.061 0.000 1.236 78 N CA 0.931 53.962 53.050 -0.032 0.000 0.879 78 N CB 1.033 39.508 38.487 -0.020 0.000 1.088 78 N HN 0.602 nan 8.380 nan 0.000 0.450 79 D N 0.640 120.996 120.400 -0.073 0.000 2.395 79 D HA 0.005 4.645 4.640 -0.000 0.000 0.213 79 D C 1.197 177.447 176.300 -0.083 0.000 1.110 79 D CA -0.098 53.836 54.000 -0.110 0.000 0.835 79 D CB 0.061 40.784 40.800 -0.127 0.000 0.965 79 D HN 0.673 nan 8.370 nan 0.000 0.505 80 K N 1.384 121.752 120.400 -0.053 0.000 2.281 80 K HA -0.126 4.194 4.320 -0.000 0.000 0.203 80 K C 1.337 177.915 176.600 -0.038 0.000 1.046 80 K CA 0.854 57.119 56.287 -0.037 0.000 0.938 80 K CB -0.370 32.116 32.500 -0.024 0.000 0.737 80 K HN 0.272 nan 8.250 nan 0.000 0.458 81 L N 1.084 122.277 121.223 -0.050 0.000 2.610 81 L HA 0.223 4.563 4.340 -0.000 0.000 0.232 81 L C 0.834 177.668 176.870 -0.059 0.000 1.149 81 L CA 0.182 54.996 54.840 -0.043 0.000 0.872 81 L CB -0.374 41.661 42.059 -0.040 0.000 0.992 81 L HN 0.164 nan 8.230 nan 0.000 0.447 82 I N -0.070 120.446 120.570 -0.089 0.000 2.530 82 I HA 0.332 4.502 4.170 -0.000 0.000 0.297 82 I C -0.256 175.843 176.117 -0.029 0.000 1.011 82 I CA -0.492 60.757 61.300 -0.086 0.000 1.107 82 I CB 2.164 40.022 38.000 -0.236 0.000 1.285 82 I HN -0.020 nan 8.210 nan 0.000 0.436 83 K N 3.791 124.201 120.400 0.016 0.000 2.512 83 K HA 0.284 4.604 4.320 -0.000 0.000 0.263 83 K C -0.940 175.687 176.600 0.046 0.000 0.966 83 K CA -0.934 55.367 56.287 0.023 0.000 0.851 83 K CB 2.459 34.971 32.500 0.020 0.000 1.395 83 K HN 0.551 nan 8.250 nan 0.000 0.440 84 E N 0.570 120.792 120.200 0.037 0.000 2.585 84 E HA -0.044 4.306 4.350 -0.000 0.000 0.252 84 E C 0.420 177.049 176.600 0.048 0.000 0.981 84 E CA 1.481 57.907 56.400 0.044 0.000 0.943 84 E CB 0.023 29.741 29.700 0.029 0.000 0.923 84 E HN 0.766 nan 8.360 nan 0.000 0.486 85 G N 4.406 113.243 108.800 0.061 0.000 2.561 85 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.203 85 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.203 85 G C -0.295 174.646 174.900 0.068 0.000 1.101 85 G CA -0.154 44.979 45.100 0.056 0.000 0.711 85 G HN 0.674 nan 8.290 nan 0.000 0.511 86 D N 1.711 122.163 120.400 0.086 0.000 2.795 86 D HA 0.279 4.919 4.640 -0.000 0.000 0.221 86 D C 0.687 177.039 176.300 0.087 0.000 1.108 86 D CA 0.687 54.750 54.000 0.105 0.000 0.832 86 D CB 0.430 41.332 40.800 0.170 0.000 1.183 86 D HN 0.467 nan 8.370 nan 0.000 0.503 87 I N 2.022 122.623 120.570 0.051 0.000 2.441 87 I HA 0.164 4.334 4.170 -0.000 0.000 0.287 87 I C 0.131 176.215 176.117 -0.055 0.000 1.049 87 I CA -0.408 60.894 61.300 0.003 0.000 1.381 87 I CB 0.890 38.889 38.000 -0.003 0.000 1.409 87 I HN 0.042 nan 8.210 nan 0.000 0.523 88 V N 6.553 126.389 119.914 -0.129 0.000 2.547 88 V HA 0.571 4.691 4.120 -0.000 0.000 0.299 88 V C -0.176 175.800 176.094 -0.196 0.000 1.040 88 V CA -0.928 61.203 62.300 -0.282 0.000 0.913 88 V CB 1.693 33.254 31.823 -0.438 0.000 0.992 88 V HN 0.764 nan 8.190 nan 0.000 0.449 89 K N 3.694 123.973 120.400 -0.201 0.000 2.541 89 K HA 0.570 4.890 4.320 -0.000 0.000 0.250 89 K C -0.805 175.724 176.600 -0.119 0.000 0.950 89 K CA -0.901 55.309 56.287 -0.128 0.000 0.805 89 K CB 2.250 34.697 32.500 -0.089 0.000 1.166 89 K HN 0.413 nan 8.250 nan 0.000 0.430 90 R N 1.313 121.755 120.500 -0.096 0.000 2.504 90 R HA -0.023 4.317 4.340 -0.000 0.000 0.291 90 R C 0.530 176.791 176.300 -0.066 0.000 0.974 90 R CA 0.782 56.835 56.100 -0.078 0.000 1.077 90 R CB 0.237 30.500 30.300 -0.062 0.000 0.926 90 R HN 0.831 nan 8.270 nan 0.000 0.407 91 T N -0.878 113.638 114.554 -0.064 0.000 3.054 91 T HA 0.167 4.517 4.350 -0.000 0.000 0.255 91 T C 1.192 175.867 174.700 -0.042 0.000 1.035 91 T CA 0.132 62.201 62.100 -0.052 0.000 0.941 91 T CB 0.722 69.557 68.868 -0.055 0.000 1.026 91 T HN 0.792 nan 8.240 nan 0.000 0.533 92 G N 1.636 110.412 108.800 -0.041 0.000 2.198 92 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.260 92 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.260 92 G C 0.231 175.112 174.900 -0.032 0.000 1.025 92 G CA -0.166 44.915 45.100 -0.032 0.000 0.769 92 G HN 1.166 nan 8.290 nan 0.000 0.507 93 A N -0.081 122.714 122.820 -0.040 0.000 2.366 93 A HA 0.671 4.991 4.320 -0.000 0.000 0.272 93 A C 0.572 178.134 177.584 -0.036 0.000 1.135 93 A CA -0.024 51.986 52.037 -0.044 0.000 0.804 93 A CB 0.528 19.490 19.000 -0.063 0.000 1.064 93 A HN 1.540 nan 8.150 nan 0.000 0.499 94 I N 3.646 124.198 120.570 -0.030 0.000 2.331 94 I HA 0.422 4.591 4.170 -0.000 0.000 0.292 94 I C -0.649 175.452 176.117 -0.026 0.000 0.998 94 I CA -0.711 60.576 61.300 -0.022 0.000 1.267 94 I CB 1.276 39.267 38.000 -0.014 0.000 1.386 94 I HN 0.322 nan 8.210 nan 0.000 0.476 95 V N 7.501 127.402 119.914 -0.021 0.000 2.364 95 V HA 0.176 4.296 4.120 -0.000 0.000 0.252 95 V C -0.213 175.879 176.094 -0.004 0.000 1.075 95 V CA -0.213 62.076 62.300 -0.019 0.000 1.033 95 V CB -0.608 31.212 31.823 -0.005 0.000 1.116 95 V HN 0.823 nan 8.190 nan 0.000 0.488 96 D N 3.889 124.286 120.400 -0.004 0.000 2.523 96 D HA 0.728 5.368 4.640 -0.000 0.000 0.236 96 D C -0.442 175.864 176.300 0.010 0.000 1.094 96 D CA -0.730 53.274 54.000 0.006 0.000 0.942 96 D CB 2.369 43.170 40.800 0.002 0.000 1.447 96 D HN 0.376 nan 8.370 nan 0.000 0.479 97 V N -4.714 115.210 119.914 0.016 0.000 3.040 97 V HA 0.730 4.850 4.120 -0.000 0.000 0.312 97 V C -2.925 173.168 176.094 -0.002 0.000 1.115 97 V CA -2.590 59.719 62.300 0.015 0.000 0.998 97 V CB 1.640 33.484 31.823 0.035 0.000 1.042 97 V HN 0.417 nan 8.190 nan 0.000 0.433 98 P HA 0.366 nan 4.420 nan 0.000 0.267 98 P C -0.777 176.483 177.300 -0.066 0.000 1.205 98 P CA 0.233 63.309 63.100 -0.039 0.000 0.765 98 P CB 0.839 32.522 31.700 -0.028 0.000 0.828 99 V N 2.634 122.464 119.914 -0.142 0.000 3.007 99 V HA 0.884 5.004 4.120 -0.000 0.000 0.311 99 V C 0.386 176.139 176.094 -0.569 0.000 1.120 99 V CA 0.186 62.330 62.300 -0.261 0.000 0.980 99 V CB 1.714 33.418 31.823 -0.197 0.000 1.033 99 V HN 0.957 nan 8.190 nan 0.000 0.429 100 G N 2.265 110.453 108.800 -1.021 0.000 2.603 100 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.686 100 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.686 100 G C 0.173 174.712 174.900 -0.602 0.000 1.286 100 G CA 0.011 44.260 45.100 -1.417 0.000 0.871 100 G HN 0.743 nan 8.290 nan 0.000 0.568 101 E N 0.538 120.475 120.200 -0.437 0.000 2.267 101 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 101 E C 1.803 178.390 176.600 -0.021 0.000 0.998 101 E CA 1.435 57.756 56.400 -0.132 0.000 0.830 101 E CB -0.119 29.541 29.700 -0.068 0.000 0.751 101 E HN 0.777 nan 8.360 nan 0.000 0.491 102 E N 0.957 121.109 120.200 -0.081 0.000 2.515 102 E HA -0.103 4.247 4.350 -0.000 0.000 0.201 102 E C 1.645 178.246 176.600 0.001 0.000 1.071 102 E CA 0.505 56.886 56.400 -0.032 0.000 0.880 102 E CB -0.173 29.493 29.700 -0.056 0.000 0.828 102 E HN 0.333 nan 8.360 nan 0.000 0.540 103 L N 0.308 121.547 121.223 0.026 0.000 2.425 103 L HA 0.129 4.469 4.340 -0.000 0.000 0.215 103 L C 1.096 178.015 176.870 0.082 0.000 1.065 103 L CA 0.044 54.915 54.840 0.050 0.000 0.842 103 L CB -0.045 42.049 42.059 0.058 0.000 1.033 103 L HN 0.023 nan 8.230 nan 0.000 0.474 104 L N 0.960 122.263 121.223 0.133 0.000 2.615 104 L HA 0.006 4.346 4.340 -0.000 0.000 0.284 104 L C 1.463 178.385 176.870 0.088 0.000 1.237 104 L CA 0.972 55.899 54.840 0.145 0.000 0.905 104 L CB -0.669 41.533 42.059 0.238 0.000 1.149 104 L HN 0.500 nan 8.230 nan 0.000 0.499 105 G N 1.815 110.645 108.800 0.050 0.000 2.241 105 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 105 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 105 G C 0.420 175.332 174.900 0.020 0.000 0.998 105 G CA -0.366 44.751 45.100 0.028 0.000 0.621 105 G HN 0.495 nan 8.290 nan 0.000 0.519 106 R N -0.194 120.323 120.500 0.028 0.000 2.543 106 R HA 0.695 5.035 4.340 -0.000 0.000 0.268 106 R C -0.144 176.169 176.300 0.023 0.000 1.067 106 R CA -0.814 55.301 56.100 0.024 0.000 1.142 106 R CB 1.124 31.440 30.300 0.028 0.000 1.110 106 R HN 0.277 nan 8.270 nan 0.000 0.549 107 V N 2.743 122.671 119.914 0.023 0.000 2.340 107 V HA 0.193 4.313 4.120 -0.000 0.000 0.277 107 V C 0.113 176.226 176.094 0.032 0.000 1.017 107 V CA -0.717 61.601 62.300 0.029 0.000 0.820 107 V CB 1.393 33.230 31.823 0.025 0.000 1.028 107 V HN 0.582 nan 8.190 nan 0.000 0.436 108 V N 2.007 121.943 119.914 0.037 0.000 3.262 108 V HA 0.779 4.899 4.120 -0.000 0.000 0.313 108 V C 0.021 176.141 176.094 0.043 0.000 1.070 108 V CA -0.550 61.772 62.300 0.037 0.000 1.049 108 V CB 1.853 33.698 31.823 0.036 0.000 1.157 108 V HN 0.774 nan 8.190 nan 0.000 0.454 109 D N 0.744 121.171 120.400 0.046 0.000 2.437 109 D HA 0.519 5.159 4.640 -0.000 0.000 0.259 109 D C 1.159 177.496 176.300 0.061 0.000 1.118 109 D CA -0.156 53.876 54.000 0.053 0.000 1.017 109 D CB 1.276 42.111 40.800 0.057 0.000 1.120 109 D HN 0.852 nan 8.370 nan 0.000 0.541 110 A N -0.044 122.818 122.820 0.069 0.000 2.023 110 A HA -0.204 4.116 4.320 -0.000 0.000 0.223 110 A C 2.147 179.787 177.584 0.094 0.000 1.180 110 A CA 1.719 53.804 52.037 0.080 0.000 0.659 110 A CB -0.884 18.170 19.000 0.090 0.000 0.817 110 A HN 0.590 nan 8.150 nan 0.000 0.466 111 L N -3.141 118.140 121.223 0.096 0.000 2.556 111 L HA 0.310 4.650 4.340 -0.000 0.000 0.226 111 L C 1.641 178.544 176.870 0.055 0.000 1.089 111 L CA 0.617 55.509 54.840 0.088 0.000 0.864 111 L CB 0.387 42.503 42.059 0.095 0.000 1.067 111 L HN 0.599 nan 8.230 nan 0.000 0.477 112 G N -0.738 108.091 108.800 0.049 0.000 2.227 112 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.168 112 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.168 112 G C -0.241 174.675 174.900 0.027 0.000 1.006 112 G CA -0.636 44.484 45.100 0.034 0.000 0.684 112 G HN 0.219 nan 8.290 nan 0.000 0.489 113 N N 1.582 120.301 118.700 0.032 0.000 2.458 113 N HA 0.559 5.299 4.740 -0.000 0.000 0.270 113 N C 0.711 176.237 175.510 0.026 0.000 1.102 113 N CA 0.607 53.673 53.050 0.027 0.000 0.967 113 N CB 1.443 39.949 38.487 0.030 0.000 1.078 113 N HN 0.762 nan 8.380 nan 0.000 0.471 114 A N 2.153 124.985 122.820 0.020 0.000 2.587 114 A HA 0.107 4.427 4.320 -0.000 0.000 0.233 114 A C 1.249 178.847 177.584 0.022 0.000 1.049 114 A CA 0.340 52.389 52.037 0.020 0.000 0.754 114 A CB -0.456 18.553 19.000 0.015 0.000 0.977 114 A HN 0.873 nan 8.150 nan 0.000 0.509 115 I N -1.547 119.037 120.570 0.023 0.000 4.481 115 I HA 0.186 4.356 4.170 -0.000 0.000 0.353 115 I C 0.313 176.442 176.117 0.020 0.000 1.296 115 I CA 0.202 61.516 61.300 0.023 0.000 1.228 115 I CB 0.332 38.349 38.000 0.028 0.000 1.725 115 I HN 0.476 nan 8.210 nan 0.000 0.608 116 D N 1.957 122.368 120.400 0.018 0.000 2.363 116 D HA 0.074 4.714 4.640 -0.000 0.000 0.220 116 D C 1.620 177.927 176.300 0.011 0.000 0.994 116 D CA 0.884 54.892 54.000 0.014 0.000 0.890 116 D CB -0.247 40.560 40.800 0.012 0.000 0.906 116 D HN 0.521 nan 8.370 nan 0.000 0.530 117 G N 0.764 109.572 108.800 0.012 0.000 2.246 117 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.273 117 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.273 117 G C 0.499 175.404 174.900 0.009 0.000 1.055 117 G CA 0.317 45.423 45.100 0.010 0.000 0.851 117 G HN 0.462 nan 8.290 nan 0.000 0.500 118 K N 0.036 120.442 120.400 0.009 0.000 2.537 118 K HA 0.440 4.760 4.320 -0.000 0.000 0.206 118 K C 1.516 178.121 176.600 0.008 0.000 1.041 118 K CA 0.025 56.317 56.287 0.009 0.000 1.090 118 K CB 0.710 33.215 32.500 0.010 0.000 0.833 118 K HN 1.316 nan 8.250 nan 0.000 0.493 119 G N 2.977 111.781 108.800 0.008 0.000 2.726 119 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.261 119 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.261 119 G C -2.343 172.560 174.900 0.006 0.000 1.352 119 G CA -1.097 44.007 45.100 0.007 0.000 0.906 119 G HN 0.103 nan 8.290 nan 0.000 0.566 120 P HA 0.096 nan 4.420 nan 0.000 0.267 120 P C 0.299 177.598 177.300 -0.000 0.000 1.158 120 P CA 0.483 63.583 63.100 0.001 0.000 0.756 120 P CB 0.151 31.850 31.700 -0.001 0.000 0.766 121 I N 1.485 122.052 120.570 -0.004 0.000 2.339 121 I HA 0.213 4.383 4.170 -0.000 0.000 0.290 121 I C 1.344 177.450 176.117 -0.018 0.000 0.994 121 I CA -0.375 60.920 61.300 -0.008 0.000 1.191 121 I CB 1.143 39.138 38.000 -0.009 0.000 1.343 121 I HN 0.420 nan 8.210 nan 0.000 0.458 122 G N 3.983 112.771 108.800 -0.021 0.000 3.263 122 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.246 122 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.246 122 G C 0.598 175.470 174.900 -0.046 0.000 0.982 122 G CA -0.073 45.010 45.100 -0.028 0.000 1.897 122 G HN 0.633 nan 8.290 nan 0.000 0.624 123 S N 0.231 115.901 115.700 -0.049 0.000 2.465 123 S HA 0.094 4.564 4.470 -0.000 0.000 0.307 123 S C 1.655 176.211 174.600 -0.075 0.000 1.187 123 S CA -0.303 57.853 58.200 -0.074 0.000 1.141 123 S CB 0.195 63.357 63.200 -0.063 0.000 1.108 123 S HN 0.553 nan 8.310 nan 0.000 0.525 124 K N 2.925 123.268 120.400 -0.095 0.000 2.365 124 K HA 0.084 4.404 4.320 -0.000 0.000 0.199 124 K C 0.677 177.230 176.600 -0.078 0.000 1.045 124 K CA 0.750 56.990 56.287 -0.078 0.000 0.962 124 K CB 0.084 32.537 32.500 -0.079 0.000 0.759 124 K HN 0.638 nan 8.250 nan 0.000 0.469 125 A N 1.100 123.856 122.820 -0.107 0.000 2.498 125 A HA 0.615 4.935 4.320 -0.000 0.000 0.298 125 A C -1.028 176.508 177.584 -0.079 0.000 1.075 125 A CA -0.813 51.171 52.037 -0.089 0.000 0.714 125 A CB 1.471 20.408 19.000 -0.105 0.000 1.299 125 A HN 0.037 nan 8.150 nan 0.000 0.407 126 R N 0.321 120.795 120.500 -0.043 0.000 2.740 126 R HA 0.704 5.043 4.340 -0.000 0.000 0.282 126 R C -0.676 175.622 176.300 -0.004 0.000 0.969 126 R CA -0.751 55.333 56.100 -0.026 0.000 0.918 126 R CB 2.498 32.787 30.300 -0.018 0.000 1.175 126 R HN 0.784 nan 8.270 nan 0.000 0.464 127 R N 1.745 122.251 120.500 0.009 0.000 2.673 127 R HA 0.301 4.641 4.340 -0.000 0.000 0.281 127 R C -0.934 175.386 176.300 0.032 0.000 0.991 127 R CA -0.870 55.250 56.100 0.033 0.000 0.896 127 R CB 1.628 31.964 30.300 0.060 0.000 1.201 127 R HN 0.675 nan 8.270 nan 0.000 0.457 128 R N 2.926 123.445 120.500 0.033 0.000 2.347 128 R HA 0.110 4.450 4.340 -0.000 0.000 0.304 128 R C 1.288 177.610 176.300 0.038 0.000 1.072 128 R CA -0.290 55.826 56.100 0.027 0.000 0.980 128 R CB 0.729 31.041 30.300 0.019 0.000 0.986 128 R HN 0.546 nan 8.270 nan 0.000 0.448 129 V N 0.801 120.735 119.914 0.034 0.000 2.568 129 V HA -0.035 4.085 4.120 -0.000 0.000 0.253 129 V C 0.986 177.100 176.094 0.032 0.000 1.072 129 V CA 1.475 63.805 62.300 0.051 0.000 1.084 129 V CB -0.668 31.180 31.823 0.041 0.000 0.676 129 V HN 0.827 nan 8.190 nan 0.000 0.469 130 G N 1.174 109.968 108.800 -0.010 0.000 2.696 130 G HA2 0.610 4.570 3.960 -0.000 0.000 0.329 130 G HA3 0.610 4.570 3.960 -0.000 0.000 0.329 130 G C -0.854 174.049 174.900 0.005 0.000 0.973 130 G CA -0.398 44.680 45.100 -0.038 0.000 1.257 130 G HN 0.381 nan 8.290 nan 0.000 0.456 131 L N 1.560 122.801 121.223 0.031 0.000 2.422 131 L HA 0.433 4.773 4.340 -0.000 0.000 0.264 131 L C 0.146 177.042 176.870 0.044 0.000 0.984 131 L CA -1.097 53.768 54.840 0.042 0.000 0.819 131 L CB 2.791 44.884 42.059 0.056 0.000 1.330 131 L HN 0.370 nan 8.230 nan 0.000 0.410 132 K N 1.322 121.748 120.400 0.043 0.000 2.380 132 K HA 0.383 4.703 4.320 -0.000 0.000 0.267 132 K C -0.024 176.602 176.600 0.044 0.000 0.990 132 K CA -0.240 56.074 56.287 0.045 0.000 0.946 132 K CB 0.647 33.175 32.500 0.048 0.000 0.937 132 K HN 0.616 nan 8.250 nan 0.000 0.491 133 A N 2.961 125.803 122.820 0.037 0.000 2.286 133 A HA 0.380 4.700 4.320 -0.000 0.000 0.286 133 A C -2.217 175.377 177.584 0.017 0.000 1.097 133 A CA -1.547 50.507 52.037 0.027 0.000 0.821 133 A CB -0.175 18.836 19.000 0.018 0.000 1.076 133 A HN 0.450 nan 8.150 nan 0.000 0.490 134 P HA 0.156 nan 4.420 nan 0.000 0.261 134 P C 0.710 177.984 177.300 -0.044 0.000 1.183 134 P CA 0.752 63.829 63.100 -0.038 0.000 0.761 134 P CB 0.410 32.065 31.700 -0.075 0.000 0.785 135 G N 2.611 111.384 108.800 -0.046 0.000 2.468 135 G HA2 0.018 3.978 3.960 -0.000 0.000 0.264 135 G HA3 0.018 3.978 3.960 -0.000 0.000 0.264 135 G C 1.110 175.976 174.900 -0.056 0.000 1.460 135 G CA -0.440 44.641 45.100 -0.033 0.000 1.060 135 G HN 0.333 nan 8.290 nan 0.000 0.543 136 I N 0.133 120.680 120.570 -0.038 0.000 2.179 136 I HA -0.111 4.059 4.170 -0.000 0.000 0.242 136 I C 2.691 178.768 176.117 -0.067 0.000 1.088 136 I CA 1.059 62.336 61.300 -0.040 0.000 1.357 136 I CB -0.737 37.252 38.000 -0.019 0.000 1.051 136 I HN 0.241 nan 8.210 nan 0.000 0.409 137 I N 0.839 121.362 120.570 -0.078 0.000 2.480 137 I HA -0.053 4.117 4.170 -0.000 0.000 0.251 137 I C -0.451 175.548 176.117 -0.196 0.000 1.124 137 I CA 0.728 61.975 61.300 -0.089 0.000 1.444 137 I CB -2.670 35.307 38.000 -0.037 0.000 1.098 137 I HN 0.104 nan 8.210 nan 0.000 0.428 138 P HA -0.099 nan 4.420 nan 0.000 0.231 138 P C 0.224 177.216 177.300 -0.513 0.000 1.154 138 P CA 1.122 63.716 63.100 -0.843 0.000 0.762 138 P CB -0.049 31.138 31.700 -0.856 0.000 0.790 139 R N -0.772 119.576 120.500 -0.252 0.000 2.778 139 R HA 0.634 4.974 4.340 -0.000 0.000 0.277 139 R C -0.745 175.507 176.300 -0.080 0.000 0.977 139 R CA -0.938 55.076 56.100 -0.144 0.000 0.950 139 R CB 1.450 31.689 30.300 -0.102 0.000 1.165 139 R HN -0.136 nan 8.270 nan 0.000 0.474 140 I N 0.102 120.643 120.570 -0.048 0.000 2.686 140 I HA 0.203 4.373 4.170 -0.000 0.000 0.295 140 I C -0.664 175.442 176.117 -0.020 0.000 1.114 140 I CA -0.619 60.667 61.300 -0.024 0.000 1.038 140 I CB 2.446 40.443 38.000 -0.005 0.000 1.238 140 I HN 0.584 nan 8.210 nan 0.000 0.420 141 S N 4.894 120.585 115.700 -0.016 0.000 2.811 141 S HA 0.084 4.554 4.470 -0.000 0.000 0.325 141 S C 0.137 174.726 174.600 -0.019 0.000 1.224 141 S CA -0.454 57.736 58.200 -0.016 0.000 1.125 141 S CB -0.550 62.643 63.200 -0.011 0.000 0.867 141 S HN 0.426 nan 8.310 nan 0.000 0.512 142 V N 5.405 125.304 119.914 -0.026 0.000 2.583 142 V HA -0.074 4.046 4.120 -0.000 0.000 0.302 142 V C 1.421 177.495 176.094 -0.034 0.000 1.033 142 V CA 1.034 63.312 62.300 -0.036 0.000 1.194 142 V CB -0.340 31.457 31.823 -0.043 0.000 0.879 142 V HN 0.882 nan 8.190 nan 0.000 0.482 143 R N 1.961 122.438 120.500 -0.039 0.000 2.702 143 R HA 0.171 4.511 4.340 -0.000 0.000 0.223 143 R C 0.121 176.395 176.300 -0.043 0.000 0.953 143 R CA -0.326 55.755 56.100 -0.032 0.000 1.068 143 R CB 0.689 30.979 30.300 -0.017 0.000 1.600 143 R HN 0.699 nan 8.270 nan 0.000 0.602 144 E N 3.436 123.598 120.200 -0.064 0.000 2.316 144 E HA 0.150 4.500 4.350 -0.000 0.000 0.275 144 E C -2.483 174.051 176.600 -0.109 0.000 1.029 144 E CA -1.970 54.380 56.400 -0.084 0.000 0.871 144 E CB 0.601 30.229 29.700 -0.120 0.000 1.022 144 E HN -0.125 nan 8.360 nan 0.000 0.418 145 P HA -0.063 nan 4.420 nan 0.000 0.265 145 P C -0.499 176.700 177.300 -0.168 0.000 1.193 145 P CA 0.329 63.368 63.100 -0.102 0.000 0.765 145 P CB 0.401 32.062 31.700 -0.065 0.000 0.823 146 M N 4.269 123.774 119.600 -0.158 0.000 2.268 146 M HA 0.124 4.604 4.480 -0.000 0.000 0.340 146 M C -0.549 175.662 176.300 -0.147 0.000 1.099 146 M CA -0.310 54.875 55.300 -0.192 0.000 1.053 146 M CB -0.001 32.502 32.600 -0.161 0.000 1.284 146 M HN 0.333 nan 8.290 nan 0.000 0.410 147 Q N 2.071 121.772 119.800 -0.165 0.000 2.337 147 Q HA 0.198 4.538 4.340 -0.000 0.000 0.255 147 Q C 1.134 177.123 176.000 -0.017 0.000 0.997 147 Q CA -0.074 55.696 55.803 -0.056 0.000 0.925 147 Q CB 0.303 29.059 28.738 0.030 0.000 1.212 147 Q HN 0.696 nan 8.270 nan 0.000 0.436 148 T N -0.721 113.828 114.554 -0.008 0.000 2.995 148 T HA 0.021 4.371 4.350 -0.000 0.000 0.269 148 T C 1.316 176.041 174.700 0.043 0.000 1.091 148 T CA 0.584 62.689 62.100 0.009 0.000 1.128 148 T CB -0.190 68.674 68.868 -0.006 0.000 0.891 148 T HN 0.970 nan 8.240 nan 0.000 0.492 149 G N 1.554 110.385 108.800 0.052 0.000 2.198 149 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.257 149 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.257 149 G C -0.081 174.836 174.900 0.029 0.000 1.042 149 G CA 0.157 45.291 45.100 0.057 0.000 0.791 149 G HN 0.698 nan 8.290 nan 0.000 0.502 150 I N -0.370 120.210 120.570 0.016 0.000 2.389 150 I HA 0.245 4.415 4.170 -0.000 0.000 0.288 150 I C 1.423 177.542 176.117 0.002 0.000 0.999 150 I CA -0.943 60.358 61.300 0.002 0.000 1.129 150 I CB 1.493 39.489 38.000 -0.008 0.000 1.288 150 I HN -0.008 nan 8.210 nan 0.000 0.444 151 K N 3.867 124.268 120.400 0.001 0.000 2.044 151 K HA -0.198 4.122 4.320 -0.000 0.000 0.210 151 K C 2.063 178.664 176.600 0.001 0.000 1.049 151 K CA 1.883 58.172 56.287 0.004 0.000 0.927 151 K CB -0.017 32.484 32.500 0.001 0.000 0.713 151 K HN 0.802 nan 8.250 nan 0.000 0.443 152 A N 1.107 123.925 122.820 -0.003 0.000 1.883 152 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 152 A C 2.429 180.014 177.584 0.002 0.000 1.186 152 A CA 1.798 53.834 52.037 -0.001 0.000 0.624 152 A CB -0.741 18.258 19.000 -0.002 0.000 0.822 152 A HN 0.090 nan 8.150 nan 0.000 0.444 153 V N 0.503 120.415 119.914 -0.003 0.000 2.270 153 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 153 V C 1.876 177.968 176.094 -0.005 0.000 1.043 153 V CA 2.119 64.415 62.300 -0.007 0.000 1.014 153 V CB -0.864 30.951 31.823 -0.014 0.000 0.645 153 V HN 0.464 nan 8.190 nan 0.000 0.447 154 D N 0.251 120.650 120.400 -0.001 0.000 2.371 154 D HA -0.054 4.586 4.640 -0.000 0.000 0.221 154 D C 2.204 178.507 176.300 0.005 0.000 0.986 154 D CA 1.395 55.396 54.000 0.002 0.000 0.899 154 D CB 0.126 40.933 40.800 0.012 0.000 0.902 154 D HN 0.644 nan 8.370 nan 0.000 0.530 155 S N -1.044 114.660 115.700 0.006 0.000 2.545 155 S HA 0.139 4.609 4.470 -0.000 0.000 0.232 155 S C 1.749 176.353 174.600 0.007 0.000 1.070 155 S CA -0.222 57.983 58.200 0.008 0.000 0.923 155 S CB 0.116 63.321 63.200 0.009 0.000 0.806 155 S HN 0.129 nan 8.310 nan 0.000 0.506 156 L N 1.220 122.447 121.223 0.007 0.000 2.701 156 L HA 0.424 4.764 4.340 -0.000 0.000 0.238 156 L C -0.344 176.533 176.870 0.012 0.000 1.106 156 L CA 0.105 54.952 54.840 0.012 0.000 0.898 156 L CB 1.214 43.283 42.059 0.017 0.000 1.188 156 L HN 0.180 nan 8.230 nan 0.000 0.508 157 V N -0.729 119.187 119.914 0.004 0.000 2.786 157 V HA 0.217 4.337 4.120 -0.000 0.000 0.326 157 V C -2.551 173.534 176.094 -0.014 0.000 1.185 157 V CA -1.128 61.170 62.300 -0.003 0.000 1.355 157 V CB 0.294 32.114 31.823 -0.005 0.000 1.275 157 V HN -0.019 nan 8.190 nan 0.000 0.611 158 P HA 0.104 nan 4.420 nan 0.000 0.261 158 P C -0.279 177.002 177.300 -0.031 0.000 1.173 158 P CA 0.929 64.017 63.100 -0.020 0.000 0.760 158 P CB 0.577 32.267 31.700 -0.015 0.000 0.783 159 I N 2.156 122.700 120.570 -0.042 0.000 2.441 159 I HA 0.510 4.680 4.170 -0.000 0.000 0.295 159 I C 1.119 177.197 176.117 -0.067 0.000 0.994 159 I CA -0.456 60.811 61.300 -0.055 0.000 1.144 159 I CB 2.087 40.048 38.000 -0.064 0.000 1.314 159 I HN 0.337 nan 8.210 nan 0.000 0.445 160 G N 4.691 113.449 108.800 -0.069 0.000 2.613 160 G HA2 0.581 4.541 3.960 -0.000 0.000 0.303 160 G HA3 0.581 4.541 3.960 -0.000 0.000 0.303 160 G C -0.601 174.234 174.900 -0.109 0.000 1.312 160 G CA -0.865 44.184 45.100 -0.085 0.000 1.036 160 G HN 0.535 nan 8.290 nan 0.000 0.513 161 R N -0.606 119.810 120.500 -0.139 0.000 2.297 161 R HA 0.490 4.830 4.340 -0.000 0.000 0.308 161 R C 0.834 177.062 176.300 -0.120 0.000 1.029 161 R CA 0.323 56.319 56.100 -0.173 0.000 0.929 161 R CB 1.305 31.418 30.300 -0.311 0.000 1.046 161 R HN 1.116 nan 8.270 nan 0.000 0.461 162 G N 1.376 110.121 108.800 -0.091 0.000 2.194 162 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.236 162 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.236 162 G C 0.169 175.040 174.900 -0.049 0.000 0.987 162 G CA 0.190 45.257 45.100 -0.055 0.000 0.635 162 G HN 0.605 nan 8.290 nan 0.000 0.520 163 Q N 0.048 119.813 119.800 -0.059 0.000 2.260 163 Q HA 0.685 5.025 4.340 -0.000 0.000 0.238 163 Q C -0.247 175.722 176.000 -0.051 0.000 0.948 163 Q CA -0.722 55.050 55.803 -0.051 0.000 0.895 163 Q CB 0.463 29.168 28.738 -0.055 0.000 1.218 163 Q HN 0.295 nan 8.270 nan 0.000 0.470 164 R N 2.145 122.618 120.500 -0.045 0.000 2.358 164 R HA 0.322 4.662 4.340 -0.000 0.000 0.309 164 R C -1.384 174.880 176.300 -0.059 0.000 1.026 164 R CA -0.615 55.457 56.100 -0.048 0.000 0.909 164 R CB 1.305 31.582 30.300 -0.039 0.000 1.153 164 R HN 0.481 nan 8.270 nan 0.000 0.515 165 E N 2.106 122.263 120.200 -0.070 0.000 2.204 165 E HA 0.419 4.769 4.350 -0.000 0.000 0.276 165 E C -1.326 175.211 176.600 -0.105 0.000 0.974 165 E CA -0.951 55.397 56.400 -0.086 0.000 0.815 165 E CB 1.095 30.745 29.700 -0.083 0.000 1.119 165 E HN 0.374 nan 8.360 nan 0.000 0.393 166 L N 5.392 126.530 121.223 -0.141 0.000 2.287 166 L HA 0.515 4.855 4.340 -0.000 0.000 0.287 166 L C -1.188 175.564 176.870 -0.197 0.000 1.022 166 L CA -0.284 54.460 54.840 -0.159 0.000 0.814 166 L CB 0.910 42.866 42.059 -0.173 0.000 1.217 166 L HN 0.625 nan 8.230 nan 0.000 0.420 167 I N 6.841 127.324 120.570 -0.145 0.000 2.337 167 I HA 0.348 4.518 4.170 -0.000 0.000 0.291 167 I C -0.121 175.917 176.117 -0.132 0.000 1.046 167 I CA 0.424 61.644 61.300 -0.134 0.000 1.324 167 I CB 0.694 38.648 38.000 -0.076 0.000 1.409 167 I HN 0.591 nan 8.210 nan 0.000 0.494 168 I N 5.714 126.183 120.570 -0.170 0.000 2.619 168 I HA 0.887 5.057 4.170 -0.000 0.000 0.292 168 I C -0.399 175.717 176.117 -0.002 0.000 1.100 168 I CA -0.034 61.205 61.300 -0.103 0.000 1.043 168 I CB 1.861 39.770 38.000 -0.152 0.000 1.239 168 I HN 0.630 nan 8.210 nan 0.000 0.420 169 G N 4.675 113.504 108.800 0.048 0.000 2.387 169 G HA2 0.202 4.162 3.960 -0.000 0.000 0.294 169 G HA3 0.202 4.162 3.960 -0.000 0.000 0.294 169 G C -1.823 173.110 174.900 0.056 0.000 1.509 169 G CA -0.800 44.349 45.100 0.081 0.000 0.806 169 G HN 0.537 nan 8.290 nan 0.000 0.546 170 D N 0.191 120.624 120.400 0.055 0.000 2.341 170 D HA 0.225 4.865 4.640 -0.000 0.000 0.235 170 D C 1.479 177.786 176.300 0.012 0.000 1.265 170 D CA 0.215 54.236 54.000 0.034 0.000 0.888 170 D CB 0.446 41.265 40.800 0.031 0.000 1.192 170 D HN 0.662 nan 8.370 nan 0.000 0.462 171 R N 0.599 121.102 120.500 0.006 0.000 2.738 171 R HA 0.057 4.397 4.340 -0.000 0.000 0.268 171 R C -0.273 176.001 176.300 -0.044 0.000 1.062 171 R CA -0.360 55.736 56.100 -0.008 0.000 1.158 171 R CB 0.225 30.525 30.300 0.000 0.000 1.046 171 R HN 0.246 nan 8.270 nan 0.000 0.493 172 Q N -0.132 119.632 119.800 -0.060 0.000 2.460 172 Q HA -0.151 4.189 4.340 -0.000 0.000 0.311 172 Q C -0.097 175.762 176.000 -0.235 0.000 1.396 172 Q CA 1.565 57.292 55.803 -0.128 0.000 0.838 172 Q CB -1.850 26.812 28.738 -0.126 0.000 1.140 172 Q HN 1.044 nan 8.270 nan 0.000 0.415 173 T N -5.618 108.848 114.554 -0.146 0.000 3.080 173 T HA 0.464 4.814 4.350 -0.000 0.000 0.280 173 T C 1.002 175.717 174.700 0.025 0.000 0.926 173 T CA 0.756 62.784 62.100 -0.121 0.000 0.883 173 T CB 1.214 70.063 68.868 -0.033 0.000 1.194 173 T HN 0.993 nan 8.240 nan 0.000 0.541 174 G N 1.908 110.714 108.800 0.011 0.000 2.141 174 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.164 174 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.164 174 G C 0.671 175.584 174.900 0.021 0.000 1.009 174 G CA 0.180 45.306 45.100 0.044 0.000 0.677 174 G HN 0.467 nan 8.290 nan 0.000 0.508 175 K N -0.329 120.078 120.400 0.013 0.000 2.026 175 K HA -0.066 4.254 4.320 -0.000 0.000 0.208 175 K C 2.537 179.148 176.600 0.019 0.000 1.048 175 K CA 1.891 58.183 56.287 0.007 0.000 0.929 175 K CB -0.280 32.222 32.500 0.002 0.000 0.713 175 K HN 0.320 nan 8.250 nan 0.000 0.439 176 T N 1.005 115.581 114.554 0.038 0.000 2.777 176 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 176 T C 2.126 176.855 174.700 0.048 0.000 1.040 176 T CA 1.420 63.565 62.100 0.075 0.000 1.141 176 T CB -0.178 68.751 68.868 0.101 0.000 0.868 176 T HN 0.146 nan 8.240 nan 0.000 0.444 177 S N 1.500 117.208 115.700 0.013 0.000 2.365 177 S HA -0.085 4.385 4.470 -0.000 0.000 0.225 177 S C 2.042 176.626 174.600 -0.028 0.000 1.039 177 S CA 0.903 59.084 58.200 -0.031 0.000 1.033 177 S CB -0.483 62.661 63.200 -0.093 0.000 0.887 177 S HN 0.365 nan 8.310 nan 0.000 0.447 178 I N 1.764 122.324 120.570 -0.017 0.000 2.248 178 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 178 I C 2.669 178.784 176.117 -0.003 0.000 1.107 178 I CA 1.505 62.795 61.300 -0.016 0.000 1.373 178 I CB -1.338 36.652 38.000 -0.017 0.000 1.055 178 I HN 0.288 nan 8.210 nan 0.000 0.418 179 A N 1.092 123.923 122.820 0.019 0.000 1.855 179 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 179 A C 2.201 179.802 177.584 0.028 0.000 1.191 179 A CA 1.044 53.106 52.037 0.042 0.000 0.613 179 A CB -0.558 18.515 19.000 0.121 0.000 0.829 179 A HN 0.196 nan 8.150 nan 0.000 0.442 180 I N 1.044 121.621 120.570 0.011 0.000 2.053 180 I HA -0.285 3.885 4.170 -0.000 0.000 0.236 180 I C 1.973 178.106 176.117 0.028 0.000 1.038 180 I CA 2.160 63.454 61.300 -0.010 0.000 1.304 180 I CB -1.745 36.276 38.000 0.035 0.000 1.023 180 I HN 0.336 nan 8.210 nan 0.000 0.395 181 D N 0.130 120.553 120.400 0.040 0.000 2.191 181 D HA -0.190 4.450 4.640 -0.000 0.000 0.195 181 D C 2.159 178.489 176.300 0.049 0.000 1.003 181 D CA 1.828 55.859 54.000 0.051 0.000 0.867 181 D CB -0.431 40.374 40.800 0.009 0.000 0.926 181 D HN 0.322 nan 8.370 nan 0.000 0.450 182 T N 0.263 114.835 114.554 0.029 0.000 2.684 182 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 182 T C 2.075 176.805 174.700 0.051 0.000 1.036 182 T CA 0.733 62.851 62.100 0.029 0.000 1.148 182 T CB -0.241 68.629 68.868 0.003 0.000 0.863 182 T HN 0.173 nan 8.240 nan 0.000 0.436 183 I N 0.508 121.101 120.570 0.037 0.000 2.090 183 I HA -0.164 4.006 4.170 -0.000 0.000 0.236 183 I C 2.284 178.481 176.117 0.132 0.000 1.064 183 I CA 1.317 62.643 61.300 0.043 0.000 1.324 183 I CB -0.539 37.428 38.000 -0.055 0.000 1.044 183 I HN 0.204 nan 8.210 nan 0.000 0.399 184 I N 0.960 121.588 120.570 0.096 0.000 2.094 184 I HA -0.460 3.710 4.170 -0.000 0.000 0.236 184 I C 2.407 178.641 176.117 0.195 0.000 1.016 184 I CA 2.254 63.645 61.300 0.151 0.000 1.294 184 I CB -0.735 37.332 38.000 0.111 0.000 1.006 184 I HN 0.372 nan 8.210 nan 0.000 0.397 185 N N 0.328 119.118 118.700 0.148 0.000 2.187 185 N HA -0.280 4.460 4.740 -0.000 0.000 0.194 185 N C 1.738 177.399 175.510 0.251 0.000 1.002 185 N CA 1.526 54.675 53.050 0.164 0.000 0.882 185 N CB -0.120 38.459 38.487 0.153 0.000 1.003 185 N HN 0.250 nan 8.380 nan 0.000 0.443 186 Q N 0.787 120.739 119.800 0.254 0.000 2.181 186 Q HA -0.169 4.171 4.340 -0.000 0.000 0.205 186 Q C 1.843 177.914 176.000 0.118 0.000 0.980 186 Q CA 1.372 57.321 55.803 0.244 0.000 0.862 186 Q CB -0.434 28.454 28.738 0.250 0.000 0.905 186 Q HN 0.643 nan 8.270 nan 0.000 0.429 187 K N 0.914 121.279 120.400 -0.059 0.000 2.015 187 K HA -0.267 4.053 4.320 -0.000 0.000 0.216 187 K C 1.878 178.355 176.600 -0.205 0.000 1.052 187 K CA 1.964 58.027 56.287 -0.372 0.000 0.937 187 K CB -0.506 31.913 32.500 -0.135 0.000 0.719 187 K HN 0.224 nan 8.250 nan 0.000 0.446 188 R N -0.150 120.257 120.500 -0.155 0.000 2.316 188 R HA -0.194 4.146 4.340 -0.000 0.000 0.257 188 R C 1.273 177.318 176.300 -0.425 0.000 1.198 188 R CA 1.975 57.886 56.100 -0.314 0.000 1.026 188 R CB -0.512 29.525 30.300 -0.438 0.000 0.872 188 R HN 0.360 nan 8.270 nan 0.000 0.482 189 F N 0.227 120.079 119.950 -0.163 0.000 2.559 189 F HA 0.219 4.746 4.527 -0.000 0.000 0.286 189 F C 1.872 177.563 175.800 -0.182 0.000 1.108 189 F CA 0.022 57.937 58.000 -0.142 0.000 1.436 189 F CB -0.158 38.768 39.000 -0.124 0.000 1.130 189 F HN -0.043 nan 8.300 nan 0.000 0.584 190 N N 0.087 118.731 118.700 -0.094 0.000 2.331 190 N HA -0.110 4.630 4.740 -0.000 0.000 0.180 190 N C 0.892 176.297 175.510 -0.175 0.000 1.019 190 N CA 1.121 54.027 53.050 -0.240 0.000 0.881 190 N CB -0.300 37.850 38.487 -0.561 0.000 0.972 190 N HN 0.250 nan 8.380 nan 0.000 0.435 191 D N -0.062 120.240 120.400 -0.163 0.000 2.350 191 D HA 0.087 4.727 4.640 -0.000 0.000 0.213 191 D C 1.208 177.458 176.300 -0.083 0.000 1.031 191 D CA 0.136 54.071 54.000 -0.109 0.000 0.861 191 D CB 0.261 40.996 40.800 -0.107 0.000 0.926 191 D HN 0.128 nan 8.370 nan 0.000 0.520 192 G N 0.326 109.075 108.800 -0.085 0.000 2.553 192 G HA2 0.221 4.181 3.960 -0.000 0.000 0.278 192 G HA3 0.221 4.181 3.960 -0.000 0.000 0.278 192 G C 0.990 175.870 174.900 -0.032 0.000 1.349 192 G CA 0.357 45.418 45.100 -0.066 0.000 1.037 192 G HN 0.138 nan 8.290 nan 0.000 0.508 193 T N -3.208 111.334 114.554 -0.020 0.000 3.044 193 T HA 0.165 4.515 4.350 -0.000 0.000 0.260 193 T C 0.042 174.748 174.700 0.010 0.000 1.019 193 T CA 0.037 62.133 62.100 -0.006 0.000 0.921 193 T CB 0.424 69.286 68.868 -0.011 0.000 1.053 193 T HN 0.292 nan 8.240 nan 0.000 0.533 194 D N 1.465 121.878 120.400 0.022 0.000 2.317 194 D HA 0.254 4.894 4.640 -0.000 0.000 0.234 194 D C 0.870 177.202 176.300 0.053 0.000 1.112 194 D CA -0.380 53.644 54.000 0.041 0.000 0.840 194 D CB 1.498 42.334 40.800 0.059 0.000 1.078 194 D HN -0.018 nan 8.370 nan 0.000 0.486 195 E N 2.903 123.130 120.200 0.045 0.000 2.112 195 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 195 E C 1.466 178.101 176.600 0.058 0.000 0.979 195 E CA 0.416 56.846 56.400 0.049 0.000 0.814 195 E CB 0.027 29.750 29.700 0.039 0.000 0.762 195 E HN 0.554 nan 8.360 nan 0.000 0.460 196 K N 1.226 121.663 120.400 0.061 0.000 2.228 196 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 196 K C 1.291 177.982 176.600 0.152 0.000 1.045 196 K CA 1.237 57.582 56.287 0.096 0.000 0.931 196 K CB 0.108 32.657 32.500 0.082 0.000 0.727 196 K HN -0.073 nan 8.250 nan 0.000 0.458 197 K N 0.245 120.715 120.400 0.117 0.000 2.387 197 K HA 0.115 4.435 4.320 -0.000 0.000 0.203 197 K C -0.342 176.281 176.600 0.038 0.000 1.030 197 K CA -0.155 56.187 56.287 0.091 0.000 1.099 197 K CB 0.806 33.433 32.500 0.210 0.000 0.863 197 K HN 0.028 nan 8.250 nan 0.000 0.529 198 K N 1.078 121.506 120.400 0.047 0.000 2.126 198 K HA 0.304 4.624 4.320 -0.000 0.000 0.257 198 K C -0.726 175.813 176.600 -0.101 0.000 1.007 198 K CA -0.546 55.703 56.287 -0.062 0.000 0.928 198 K CB 0.940 33.361 32.500 -0.132 0.000 1.013 198 K HN -0.146 nan 8.250 nan 0.000 0.473 199 L N 2.378 123.465 121.223 -0.227 0.000 2.482 199 L HA 0.301 4.641 4.340 -0.000 0.000 0.269 199 L C -1.754 175.014 176.870 -0.170 0.000 0.967 199 L CA -0.419 54.340 54.840 -0.136 0.000 0.851 199 L CB 1.016 42.987 42.059 -0.147 0.000 1.242 199 L HN 0.443 nan 8.230 nan 0.000 0.404 200 Y N 3.247 123.533 120.300 -0.023 0.000 2.308 200 Y HA 0.458 5.008 4.550 -0.000 0.000 0.329 200 Y C 0.202 175.975 175.900 -0.211 0.000 1.111 200 Y CA -0.260 57.764 58.100 -0.127 0.000 1.179 200 Y CB 1.144 39.308 38.460 -0.493 0.000 1.201 200 Y HN 0.483 nan 8.280 nan 0.000 0.483 201 C N 5.550 124.845 119.300 -0.009 0.000 2.271 201 C HA 0.548 5.008 4.460 -0.000 0.000 0.323 201 C C -0.121 174.814 174.990 -0.092 0.000 1.245 201 C CA -1.142 57.833 59.018 -0.072 0.000 1.548 201 C CB -1.390 26.306 27.740 -0.074 0.000 2.214 201 C HN 0.555 nan 8.230 nan 0.000 0.477 202 I N 3.468 123.970 120.570 -0.114 0.000 2.315 202 I HA 0.252 4.422 4.170 -0.000 0.000 0.291 202 I C -0.261 175.818 176.117 -0.063 0.000 1.006 202 I CA -0.190 61.062 61.300 -0.080 0.000 1.265 202 I CB 0.213 38.154 38.000 -0.098 0.000 1.387 202 I HN 0.632 nan 8.210 nan 0.000 0.475 203 Y N 6.931 127.153 120.300 -0.129 0.000 2.464 203 Y HA 0.602 5.152 4.550 -0.000 0.000 0.326 203 Y C -0.828 175.021 175.900 -0.084 0.000 0.969 203 Y CA -0.971 57.055 58.100 -0.123 0.000 1.270 203 Y CB 0.977 39.379 38.460 -0.098 0.000 1.103 203 Y HN 0.318 nan 8.280 nan 0.000 0.491 204 V N 6.456 126.082 119.914 -0.480 0.000 2.372 204 V HA 0.467 4.587 4.120 -0.000 0.000 0.261 204 V C 0.462 176.294 176.094 -0.437 0.000 1.055 204 V CA -0.434 61.677 62.300 -0.315 0.000 0.930 204 V CB 0.221 31.965 31.823 -0.131 0.000 1.031 204 V HN 0.917 nan 8.190 nan 0.000 0.479 205 A N 7.248 129.918 122.820 -0.250 0.000 2.350 205 A HA 0.697 5.017 4.320 -0.000 0.000 0.293 205 A C -0.271 177.284 177.584 -0.047 0.000 1.231 205 A CA -0.166 51.798 52.037 -0.121 0.000 0.883 205 A CB -0.237 18.825 19.000 0.103 0.000 1.133 205 A HN 0.800 nan 8.150 nan 0.000 0.533 206 I N 2.154 122.694 120.570 -0.049 0.000 2.378 206 I HA 0.525 4.695 4.170 -0.000 0.000 0.291 206 I C 1.246 177.371 176.117 0.014 0.000 0.992 206 I CA 0.291 61.587 61.300 -0.006 0.000 1.154 206 I CB 1.740 39.737 38.000 -0.005 0.000 1.315 206 I HN 0.930 nan 8.210 nan 0.000 0.448 207 G N 3.917 112.733 108.800 0.027 0.000 2.184 207 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.264 207 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.264 207 G C 0.125 175.045 174.900 0.033 0.000 0.975 207 G CA 0.010 45.129 45.100 0.031 0.000 0.642 207 G HN 0.661 nan 8.290 nan 0.000 0.536 208 Q N 0.328 120.150 119.800 0.038 0.000 2.199 208 Q HA 0.588 4.928 4.340 -0.000 0.000 0.232 208 Q C 0.483 176.508 176.000 0.041 0.000 0.969 208 Q CA -0.583 55.247 55.803 0.044 0.000 0.925 208 Q CB 0.925 29.701 28.738 0.062 0.000 1.198 208 Q HN 0.579 nan 8.270 nan 0.000 0.494 209 K N 0.177 120.601 120.400 0.039 0.000 2.168 209 K HA 0.222 4.542 4.320 -0.000 0.000 0.258 209 K C 0.386 177.008 176.600 0.036 0.000 1.010 209 K CA -0.571 55.736 56.287 0.033 0.000 0.929 209 K CB 1.220 33.736 32.500 0.027 0.000 0.998 209 K HN 0.486 nan 8.250 nan 0.000 0.479 210 R N 0.639 121.157 120.500 0.031 0.000 2.066 210 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 210 R C 2.107 178.423 176.300 0.026 0.000 1.131 210 R CA 1.967 58.085 56.100 0.030 0.000 0.955 210 R CB -0.322 29.993 30.300 0.025 0.000 0.851 210 R HN 0.789 nan 8.270 nan 0.000 0.432 211 S N -0.181 115.532 115.700 0.022 0.000 2.484 211 S HA -0.166 4.304 4.470 -0.000 0.000 0.250 211 S C 1.501 176.113 174.600 0.020 0.000 0.995 211 S CA 1.721 59.932 58.200 0.018 0.000 0.967 211 S CB -0.248 62.963 63.200 0.018 0.000 0.752 211 S HN 0.388 nan 8.310 nan 0.000 0.517 212 T N 1.393 115.964 114.554 0.028 0.000 2.980 212 T HA 0.097 4.447 4.350 -0.000 0.000 0.239 212 T C 2.027 176.747 174.700 0.033 0.000 1.011 212 T CA 0.659 62.779 62.100 0.033 0.000 1.171 212 T CB -0.351 68.544 68.868 0.044 0.000 0.873 212 T HN 0.224 nan 8.240 nan 0.000 0.431 213 V N 2.509 122.452 119.914 0.049 0.000 2.380 213 V HA -0.197 3.923 4.120 -0.000 0.000 0.251 213 V C 2.830 178.935 176.094 0.019 0.000 1.063 213 V CA 1.789 64.123 62.300 0.057 0.000 1.055 213 V CB -1.441 30.428 31.823 0.076 0.000 0.657 213 V HN 0.517 nan 8.190 nan 0.000 0.455 214 A N -0.539 122.290 122.820 0.015 0.000 1.827 214 A HA -0.282 4.038 4.320 -0.000 0.000 0.215 214 A C 2.168 179.743 177.584 -0.015 0.000 1.212 214 A CA 1.983 54.020 52.037 0.001 0.000 0.624 214 A CB -0.858 18.145 19.000 0.005 0.000 0.853 214 A HN 0.463 nan 8.150 nan 0.000 0.450 215 Q N -0.755 119.039 119.800 -0.010 0.000 2.146 215 Q HA -0.264 4.076 4.340 -0.000 0.000 0.217 215 Q C 2.084 178.059 176.000 -0.042 0.000 1.023 215 Q CA 1.906 57.697 55.803 -0.019 0.000 0.903 215 Q CB -0.859 27.878 28.738 -0.002 0.000 0.990 215 Q HN 0.657 nan 8.270 nan 0.000 0.413 216 L N 0.650 121.846 121.223 -0.045 0.000 1.990 216 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 216 L C 2.515 179.311 176.870 -0.123 0.000 1.072 216 L CA 2.415 57.199 54.840 -0.094 0.000 0.755 216 L CB -0.929 41.059 42.059 -0.118 0.000 0.889 216 L HN 0.308 nan 8.230 nan 0.000 0.432 217 V N -1.635 118.222 119.914 -0.095 0.000 2.515 217 V HA -0.234 3.885 4.120 -0.000 0.000 0.250 217 V C 2.621 178.665 176.094 -0.083 0.000 1.058 217 V CA 1.894 64.139 62.300 -0.093 0.000 1.064 217 V CB -0.841 30.949 31.823 -0.055 0.000 0.675 217 V HN 0.454 nan 8.190 nan 0.000 0.461 218 K N 1.490 121.848 120.400 -0.070 0.000 2.032 218 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 218 K C 2.351 178.892 176.600 -0.098 0.000 1.048 218 K CA 2.259 58.504 56.287 -0.069 0.000 0.927 218 K CB -0.551 31.915 32.500 -0.057 0.000 0.712 218 K HN 0.428 nan 8.250 nan 0.000 0.441 219 R N 0.539 120.965 120.500 -0.124 0.000 2.081 219 R HA 0.019 4.359 4.340 -0.000 0.000 0.235 219 R C 2.089 178.293 176.300 -0.160 0.000 1.131 219 R CA 1.624 57.615 56.100 -0.183 0.000 0.960 219 R CB -0.744 29.423 30.300 -0.222 0.000 0.856 219 R HN 0.374 nan 8.270 nan 0.000 0.436 220 L N -0.365 120.773 121.223 -0.141 0.000 2.275 220 L HA -0.080 4.260 4.340 -0.000 0.000 0.215 220 L C 1.971 178.775 176.870 -0.109 0.000 1.119 220 L CA 1.535 56.293 54.840 -0.137 0.000 0.790 220 L CB -0.246 41.707 42.059 -0.176 0.000 0.919 220 L HN 0.253 nan 8.230 nan 0.000 0.443 221 T N -1.347 113.151 114.554 -0.092 0.000 2.770 221 T HA -0.126 4.224 4.350 -0.000 0.000 0.258 221 T C 1.325 175.994 174.700 -0.052 0.000 1.039 221 T CA 1.148 63.211 62.100 -0.062 0.000 1.143 221 T CB -0.150 68.688 68.868 -0.050 0.000 0.866 221 T HN 0.272 nan 8.240 nan 0.000 0.428 222 D N 1.699 122.057 120.400 -0.071 0.000 2.315 222 D HA -0.029 4.611 4.640 -0.000 0.000 0.211 222 D C 1.734 178.001 176.300 -0.055 0.000 0.977 222 D CA 0.772 54.731 54.000 -0.068 0.000 0.894 222 D CB -0.167 40.572 40.800 -0.101 0.000 0.910 222 D HN 0.441 nan 8.370 nan 0.000 0.490 223 A N 0.234 123.023 122.820 -0.051 0.000 2.308 223 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 223 A C 0.547 178.147 177.584 0.027 0.000 1.216 223 A CA 0.343 52.370 52.037 -0.017 0.000 0.864 223 A CB 0.252 19.243 19.000 -0.014 0.000 0.902 223 A HN 0.015 nan 8.150 nan 0.000 0.499 224 D N -1.995 118.416 120.400 0.018 0.000 2.699 224 D HA -0.199 4.441 4.640 -0.000 0.000 0.239 224 D C 0.689 177.076 176.300 0.145 0.000 1.136 224 D CA 1.007 55.042 54.000 0.058 0.000 0.668 224 D CB -1.292 39.544 40.800 0.060 0.000 1.060 224 D HN 0.505 nan 8.370 nan 0.000 0.429 225 A N 0.125 122.968 122.820 0.037 0.000 2.085 225 A HA 0.127 4.447 4.320 -0.000 0.000 0.208 225 A C 2.155 179.455 177.584 -0.473 0.000 1.191 225 A CA 0.601 52.555 52.037 -0.138 0.000 0.799 225 A CB -0.053 18.842 19.000 -0.175 0.000 0.877 225 A HN 0.325 nan 8.150 nan 0.000 0.473 226 M N 1.196 120.670 119.600 -0.210 0.000 2.260 226 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 226 M C 1.995 178.237 176.300 -0.097 0.000 1.066 226 M CA 2.035 57.234 55.300 -0.168 0.000 1.082 226 M CB -0.882 31.669 32.600 -0.081 0.000 1.388 226 M HN 0.704 nan 8.290 nan 0.000 0.419 227 K N 0.248 120.657 120.400 0.015 0.000 2.281 227 K HA -0.181 4.139 4.320 -0.000 0.000 0.203 227 K C 0.786 177.536 176.600 0.249 0.000 1.046 227 K CA 1.631 58.005 56.287 0.146 0.000 0.938 227 K CB -0.615 32.002 32.500 0.195 0.000 0.737 227 K HN 0.560 nan 8.250 nan 0.000 0.458 228 Y N -1.655 118.684 120.300 0.065 0.000 2.715 228 Y HA 0.493 5.043 4.550 -0.000 0.000 0.255 228 Y C -0.610 175.343 175.900 0.088 0.000 1.139 228 Y CA -1.161 56.999 58.100 0.101 0.000 1.151 228 Y CB 0.523 38.979 38.460 -0.007 0.000 1.201 228 Y HN -0.215 nan 8.280 nan 0.000 0.556 229 T N 2.899 117.364 114.554 -0.149 0.000 2.881 229 T HA 0.527 4.877 4.350 -0.000 0.000 0.290 229 T C -0.556 174.120 174.700 -0.040 0.000 1.000 229 T CA -0.472 61.529 62.100 -0.165 0.000 0.978 229 T CB 1.299 69.978 68.868 -0.315 0.000 0.997 229 T HN 0.239 nan 8.240 nan 0.000 0.443 230 I N 2.887 123.454 120.570 -0.005 0.000 2.385 230 I HA 0.465 4.635 4.170 -0.000 0.000 0.294 230 I C -0.280 175.857 176.117 0.034 0.000 0.988 230 I CA -0.951 60.366 61.300 0.028 0.000 1.265 230 I CB 1.713 39.743 38.000 0.050 0.000 1.388 230 I HN 0.216 nan 8.210 nan 0.000 0.480 231 V N 7.252 127.194 119.914 0.047 0.000 2.266 231 V HA 0.181 4.301 4.120 -0.000 0.000 0.271 231 V C 0.105 176.246 176.094 0.078 0.000 1.032 231 V CA -0.559 61.795 62.300 0.090 0.000 0.806 231 V CB 1.320 33.190 31.823 0.078 0.000 1.052 231 V HN 0.423 nan 8.190 nan 0.000 0.449 232 V N 3.704 123.655 119.914 0.062 0.000 2.555 232 V HA 0.474 4.594 4.120 -0.000 0.000 0.286 232 V C 0.537 176.658 176.094 0.044 0.000 1.044 232 V CA 0.191 62.518 62.300 0.045 0.000 1.026 232 V CB 1.526 33.367 31.823 0.029 0.000 0.981 232 V HN 0.801 nan 8.190 nan 0.000 0.480 233 S N 4.021 119.750 115.700 0.049 0.000 2.776 233 S HA 0.700 5.170 4.470 -0.000 0.000 0.284 233 S C -0.463 174.164 174.600 0.045 0.000 1.160 233 S CA -0.066 58.165 58.200 0.051 0.000 1.051 233 S CB 1.219 64.459 63.200 0.067 0.000 1.037 233 S HN 1.176 nan 8.310 nan 0.000 0.485 234 A N 4.246 127.088 122.820 0.037 0.000 2.644 234 A HA 0.613 4.933 4.320 -0.000 0.000 0.343 234 A C 0.587 178.192 177.584 0.035 0.000 1.324 234 A CA -0.382 51.678 52.037 0.038 0.000 0.846 234 A CB -0.102 18.920 19.000 0.038 0.000 1.128 234 A HN 1.007 nan 8.150 nan 0.000 0.484 235 T N -0.446 114.130 114.554 0.036 0.000 2.726 235 T HA 0.424 4.774 4.350 -0.000 0.000 0.294 235 T C 1.603 176.320 174.700 0.028 0.000 1.013 235 T CA 0.303 62.424 62.100 0.035 0.000 0.996 235 T CB 0.796 69.685 68.868 0.036 0.000 1.016 235 T HN 1.173 nan 8.240 nan 0.000 0.529 236 A N 1.125 123.962 122.820 0.027 0.000 1.997 236 A HA -0.076 4.244 4.320 -0.000 0.000 0.221 236 A C 2.453 180.046 177.584 0.016 0.000 1.172 236 A CA 2.452 54.502 52.037 0.023 0.000 0.645 236 A CB -1.265 17.749 19.000 0.022 0.000 0.813 236 A HN 1.270 nan 8.150 nan 0.000 0.454 237 S N -1.129 114.581 115.700 0.016 0.000 2.540 237 S HA 0.184 4.654 4.470 -0.000 0.000 0.218 237 S C -0.090 174.517 174.600 0.011 0.000 0.977 237 S CA -0.311 57.896 58.200 0.011 0.000 0.918 237 S CB -0.130 63.077 63.200 0.012 0.000 0.806 237 S HN 0.370 nan 8.310 nan 0.000 0.496 238 D N 2.799 123.208 120.400 0.015 0.000 2.361 238 D HA 0.569 5.209 4.640 -0.000 0.000 0.239 238 D C 0.516 176.815 176.300 -0.001 0.000 1.200 238 D CA 0.302 54.312 54.000 0.015 0.000 0.915 238 D CB 0.736 41.550 40.800 0.024 0.000 1.170 238 D HN 0.433 nan 8.370 nan 0.000 0.444 239 A N 0.703 123.515 122.820 -0.013 0.000 2.296 239 A HA 0.530 4.850 4.320 -0.000 0.000 0.264 239 A C 1.267 178.808 177.584 -0.072 0.000 1.097 239 A CA 0.281 52.290 52.037 -0.045 0.000 0.811 239 A CB 0.272 19.238 19.000 -0.057 0.000 1.072 239 A HN 0.559 nan 8.150 nan 0.000 0.495 240 A N 0.900 123.668 122.820 -0.085 0.000 1.842 240 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 240 A C -0.266 177.265 177.584 -0.089 0.000 1.206 240 A CA 2.266 54.260 52.037 -0.071 0.000 0.630 240 A CB -2.014 16.934 19.000 -0.085 0.000 0.839 240 A HN 0.601 nan 8.150 nan 0.000 0.447 241 P HA -0.117 nan 4.420 nan 0.000 0.220 241 P C 1.342 178.475 177.300 -0.279 0.000 1.144 241 P CA 0.792 63.707 63.100 -0.309 0.000 0.800 241 P CB -0.132 30.966 31.700 -1.003 0.000 0.772 242 L N -0.886 120.175 121.223 -0.270 0.000 1.973 242 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 242 L C 2.680 179.560 176.870 0.017 0.000 1.073 242 L CA 1.671 56.472 54.840 -0.065 0.000 0.746 242 L CB -1.159 40.894 42.059 -0.011 0.000 0.891 242 L HN -0.009 nan 8.230 nan 0.000 0.433 243 Q N -0.677 119.140 119.800 0.029 0.000 2.062 243 Q HA -0.321 4.019 4.340 -0.000 0.000 0.209 243 Q C 2.143 178.211 176.000 0.113 0.000 0.996 243 Q CA 2.446 58.286 55.803 0.063 0.000 0.859 243 Q CB -0.719 28.057 28.738 0.064 0.000 0.920 243 Q HN 0.485 nan 8.270 nan 0.000 0.415 244 Y N 1.146 121.474 120.300 0.046 0.000 2.139 244 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 244 Y C 1.835 177.844 175.900 0.182 0.000 1.179 244 Y CA 1.575 59.747 58.100 0.120 0.000 1.161 244 Y CB -0.424 38.114 38.460 0.130 0.000 0.970 244 Y HN 0.043 nan 8.280 nan 0.000 0.511 245 L N -0.310 120.806 121.223 -0.178 0.000 2.095 245 L HA -0.010 4.330 4.340 -0.000 0.000 0.204 245 L C 2.793 179.680 176.870 0.028 0.000 1.080 245 L CA 1.074 55.795 54.840 -0.199 0.000 0.759 245 L CB -0.910 41.126 42.059 -0.038 0.000 0.914 245 L HN 0.342 nan 8.230 nan 0.000 0.439 246 A N 0.935 123.776 122.820 0.034 0.000 1.894 246 A HA -0.259 4.060 4.320 -0.000 0.000 0.220 246 A C -0.168 177.440 177.584 0.040 0.000 1.237 246 A CA 2.619 54.682 52.037 0.044 0.000 0.660 246 A CB -2.202 16.818 19.000 0.034 0.000 0.835 246 A HN 0.312 nan 8.150 nan 0.000 0.461 247 P HA -0.152 nan 4.420 nan 0.000 0.218 247 P C 0.824 178.047 177.300 -0.127 0.000 1.148 247 P CA 1.375 64.424 63.100 -0.084 0.000 0.822 247 P CB -0.210 31.217 31.700 -0.455 0.000 0.784 248 Y N -0.942 119.297 120.300 -0.103 0.000 2.337 248 Y HA -0.057 4.493 4.550 -0.000 0.000 0.293 248 Y C 2.564 178.456 175.900 -0.013 0.000 1.123 248 Y CA 0.957 59.007 58.100 -0.084 0.000 1.201 248 Y CB -1.157 37.204 38.460 -0.164 0.000 1.011 248 Y HN -0.090 nan 8.280 nan 0.000 0.545 249 S N 0.132 115.917 115.700 0.142 0.000 2.363 249 S HA -0.197 4.273 4.470 -0.000 0.000 0.218 249 S C 2.547 177.205 174.600 0.097 0.000 1.035 249 S CA 1.362 59.623 58.200 0.102 0.000 1.043 249 S CB -1.235 62.014 63.200 0.082 0.000 0.986 249 S HN 0.637 nan 8.310 nan 0.000 0.423 250 G N 0.746 109.598 108.800 0.087 0.000 2.703 250 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.222 250 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.222 250 G C 1.816 176.769 174.900 0.088 0.000 1.183 250 G CA 1.482 46.624 45.100 0.071 0.000 0.775 250 G HN 0.610 nan 8.290 nan 0.000 0.615 251 C N 0.018 119.406 119.300 0.147 0.000 2.413 251 C HA -0.028 4.432 4.460 -0.000 0.000 0.276 251 C C 3.265 178.330 174.990 0.124 0.000 1.248 251 C CA 1.872 60.975 59.018 0.142 0.000 1.742 251 C CB -1.103 26.717 27.740 0.134 0.000 2.017 251 C HN 0.375 nan 8.230 nan 0.000 0.481 252 S N -0.049 115.727 115.700 0.126 0.000 2.383 252 S HA -0.066 4.404 4.470 -0.000 0.000 0.227 252 S C 1.741 176.439 174.600 0.164 0.000 1.026 252 S CA 1.797 60.075 58.200 0.130 0.000 0.981 252 S CB -0.286 62.979 63.200 0.108 0.000 0.818 252 S HN 0.685 nan 8.310 nan 0.000 0.472 253 M N 0.254 119.948 119.600 0.157 0.000 2.296 253 M HA 0.011 4.491 4.480 -0.000 0.000 0.265 253 M C 2.180 178.710 176.300 0.383 0.000 1.064 253 M CA 1.232 56.660 55.300 0.214 0.000 1.109 253 M CB -0.352 32.343 32.600 0.158 0.000 1.396 253 M HN 0.398 nan 8.290 nan 0.000 0.430 254 G N -0.607 108.347 108.800 0.257 0.000 2.545 254 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.212 254 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.212 254 G C 1.280 176.363 174.900 0.305 0.000 1.144 254 G CA 0.039 45.281 45.100 0.237 0.000 0.813 254 G HN 0.437 nan 8.290 nan 0.000 0.531 255 E N -0.539 119.798 120.200 0.228 0.000 2.333 255 E HA -0.155 4.195 4.350 -0.000 0.000 0.198 255 E C 1.715 178.434 176.600 0.199 0.000 1.007 255 E CA 0.527 57.033 56.400 0.177 0.000 0.845 255 E CB -0.172 29.612 29.700 0.139 0.000 0.766 255 E HN 0.609 nan 8.360 nan 0.000 0.507 256 Y N 0.111 120.504 120.300 0.155 0.000 2.084 256 Y HA -0.256 4.294 4.550 -0.000 0.000 0.279 256 Y C 1.571 177.500 175.900 0.049 0.000 1.119 256 Y CA 1.942 60.074 58.100 0.053 0.000 1.101 256 Y CB -0.750 37.684 38.460 -0.043 0.000 0.989 256 Y HN -0.017 nan 8.280 nan 0.000 0.484 257 F N 1.100 120.910 119.950 -0.233 0.000 2.087 257 F HA -0.290 4.237 4.527 -0.000 0.000 0.299 257 F C 2.803 178.463 175.800 -0.234 0.000 1.100 257 F CA 2.144 59.932 58.000 -0.353 0.000 1.226 257 F CB -1.162 37.778 39.000 -0.099 0.000 0.983 257 F HN 0.084 nan 8.300 nan 0.000 0.479 258 R N 0.488 121.064 120.500 0.127 0.000 2.103 258 R HA -0.205 4.135 4.340 -0.000 0.000 0.242 258 R C 1.396 177.704 176.300 0.014 0.000 1.142 258 R CA 2.233 58.386 56.100 0.088 0.000 0.960 258 R CB -0.467 29.892 30.300 0.099 0.000 0.858 258 R HN 0.191 nan 8.270 nan 0.000 0.439 259 D N -0.347 120.026 120.400 -0.046 0.000 2.340 259 D HA -0.001 4.639 4.640 -0.000 0.000 0.220 259 D C -0.102 176.121 176.300 -0.129 0.000 1.039 259 D CA 0.536 54.513 54.000 -0.038 0.000 0.866 259 D CB 0.131 40.930 40.800 -0.001 0.000 0.913 259 D HN 0.307 nan 8.370 nan 0.000 0.523 260 N N -0.585 117.956 118.700 -0.265 0.000 2.538 260 N HA 0.269 5.009 4.740 -0.000 0.000 0.291 260 N C 0.903 176.292 175.510 -0.202 0.000 1.323 260 N CA 0.007 52.879 53.050 -0.297 0.000 0.934 260 N CB 1.101 39.247 38.487 -0.568 0.000 1.255 260 N HN -0.037 nan 8.380 nan 0.000 0.509 261 G N 0.065 108.792 108.800 -0.122 0.000 2.200 261 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.268 261 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.268 261 G C 0.400 175.188 174.900 -0.187 0.000 0.986 261 G CA 0.736 45.769 45.100 -0.111 0.000 0.677 261 G HN 0.322 nan 8.290 nan 0.000 0.532 262 K N -0.652 119.660 120.400 -0.146 0.000 2.399 262 K HA 0.560 4.879 4.320 -0.000 0.000 0.247 262 K C -0.507 176.085 176.600 -0.014 0.000 1.036 262 K CA -0.767 55.472 56.287 -0.079 0.000 0.977 262 K CB 0.580 33.136 32.500 0.095 0.000 1.272 262 K HN 0.237 nan 8.250 nan 0.000 0.501 263 H N -0.533 118.696 119.070 0.265 0.000 2.800 263 H HA 0.424 4.980 4.556 -0.000 0.000 0.322 263 H C -0.969 174.443 175.328 0.140 0.000 0.979 263 H CA -0.699 55.438 56.048 0.149 0.000 1.277 263 H CB 1.492 31.294 29.762 0.066 0.000 1.484 263 H HN 0.677 nan 8.280 nan 0.000 0.512 264 A N 2.985 125.902 122.820 0.162 0.000 2.330 264 A HA 0.667 4.987 4.320 -0.000 0.000 0.329 264 A C -1.072 176.483 177.584 -0.048 0.000 1.135 264 A CA -0.700 51.328 52.037 -0.016 0.000 0.817 264 A CB 1.504 20.410 19.000 -0.157 0.000 1.269 264 A HN 0.475 nan 8.150 nan 0.000 0.469 265 L N 1.517 122.684 121.223 -0.093 0.000 2.381 265 L HA 0.779 5.119 4.340 -0.000 0.000 0.274 265 L C -1.034 175.741 176.870 -0.158 0.000 0.988 265 L CA -0.404 54.369 54.840 -0.111 0.000 0.824 265 L CB 1.408 43.413 42.059 -0.090 0.000 1.263 265 L HN 0.690 nan 8.230 nan 0.000 0.410 266 I N 5.342 125.776 120.570 -0.227 0.000 2.474 266 I HA 0.555 4.725 4.170 -0.000 0.000 0.294 266 I C -1.172 174.651 176.117 -0.490 0.000 1.005 266 I CA -0.519 60.555 61.300 -0.377 0.000 1.113 266 I CB 1.298 38.999 38.000 -0.499 0.000 1.289 266 I HN 0.457 nan 8.210 nan 0.000 0.436 267 I N 8.384 128.683 120.570 -0.450 0.000 2.330 267 I HA 0.195 4.365 4.170 -0.000 0.000 0.289 267 I C -1.111 174.655 176.117 -0.585 0.000 1.001 267 I CA -0.394 60.659 61.300 -0.411 0.000 1.193 267 I CB 0.754 38.665 38.000 -0.148 0.000 1.345 267 I HN 0.537 nan 8.210 nan 0.000 0.461 268 Y N 3.876 124.031 120.300 -0.242 0.000 2.594 268 Y HA 0.249 4.799 4.550 -0.000 0.000 0.342 268 Y C 0.392 176.131 175.900 -0.268 0.000 1.010 268 Y CA -0.650 57.284 58.100 -0.277 0.000 1.270 268 Y CB 0.439 38.743 38.460 -0.259 0.000 1.125 268 Y HN 0.425 nan 8.280 nan 0.000 0.513 269 D N 3.570 123.826 120.400 -0.241 0.000 2.458 269 D HA 0.112 4.752 4.640 -0.000 0.000 0.258 269 D C -1.362 174.859 176.300 -0.133 0.000 1.134 269 D CA -0.214 53.679 54.000 -0.179 0.000 0.915 269 D CB 0.370 41.036 40.800 -0.222 0.000 1.028 269 D HN 0.585 nan 8.370 nan 0.000 0.508 270 D N 4.212 124.572 120.400 -0.066 0.000 2.764 270 D HA 0.041 4.681 4.640 -0.000 0.000 0.227 270 D C 0.697 176.969 176.300 -0.047 0.000 1.347 270 D CA -0.441 53.533 54.000 -0.043 0.000 0.953 270 D CB 1.473 42.266 40.800 -0.011 0.000 1.476 270 D HN 0.256 nan 8.370 nan 0.000 0.585 271 L N 2.358 123.524 121.223 -0.095 0.000 2.549 271 L HA -0.085 4.255 4.340 -0.000 0.000 0.229 271 L C 1.801 178.622 176.870 -0.081 0.000 1.158 271 L CA 0.625 55.357 54.840 -0.179 0.000 0.842 271 L CB -0.031 41.779 42.059 -0.414 0.000 0.952 271 L HN 0.280 nan 8.230 nan 0.000 0.452 272 S N -0.485 115.202 115.700 -0.022 0.000 2.388 272 S HA -0.074 4.396 4.470 -0.000 0.000 0.223 272 S C 1.809 176.468 174.600 0.099 0.000 1.034 272 S CA 0.660 58.885 58.200 0.043 0.000 0.963 272 S CB 0.121 63.340 63.200 0.031 0.000 0.827 272 S HN 0.374 nan 8.310 nan 0.000 0.481 273 K N 1.314 121.756 120.400 0.070 0.000 2.217 273 K HA -0.007 4.313 4.320 -0.000 0.000 0.202 273 K C 2.337 179.000 176.600 0.106 0.000 1.051 273 K CA 0.598 56.934 56.287 0.081 0.000 0.952 273 K CB -0.051 32.480 32.500 0.052 0.000 0.736 273 K HN 0.314 nan 8.250 nan 0.000 0.453 274 Q N 0.933 120.799 119.800 0.110 0.000 2.016 274 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 274 Q C 2.130 178.266 176.000 0.226 0.000 0.978 274 Q CA 1.456 57.350 55.803 0.152 0.000 0.833 274 Q CB -0.110 28.701 28.738 0.121 0.000 0.895 274 Q HN 0.284 nan 8.270 nan 0.000 0.427 275 A N 0.558 123.530 122.820 0.253 0.000 1.884 275 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 275 A C 2.287 180.080 177.584 0.349 0.000 1.197 275 A CA 2.256 54.467 52.037 0.289 0.000 0.637 275 A CB -1.218 17.937 19.000 0.259 0.000 0.827 275 A HN 0.322 nan 8.150 nan 0.000 0.450 276 V N -0.113 119.968 119.914 0.278 0.000 2.250 276 V HA -0.331 3.789 4.120 -0.000 0.000 0.250 276 V C 3.036 179.176 176.094 0.076 0.000 1.060 276 V CA 2.397 64.786 62.300 0.149 0.000 1.030 276 V CB -1.687 30.199 31.823 0.105 0.000 0.643 276 V HN 0.706 nan 8.190 nan 0.000 0.445 277 A N -0.668 122.214 122.820 0.104 0.000 1.859 277 A HA -0.341 3.979 4.320 -0.000 0.000 0.218 277 A C 2.184 179.800 177.584 0.053 0.000 1.209 277 A CA 2.521 54.602 52.037 0.074 0.000 0.639 277 A CB -1.085 17.985 19.000 0.116 0.000 0.835 277 A HN 0.641 nan 8.150 nan 0.000 0.450 278 Y N 0.548 120.857 120.300 0.015 0.000 2.151 278 Y HA -0.293 4.257 4.550 -0.000 0.000 0.284 278 Y C 2.560 178.400 175.900 -0.101 0.000 1.166 278 Y CA 2.391 60.437 58.100 -0.089 0.000 1.163 278 Y CB -0.381 38.061 38.460 -0.029 0.000 0.974 278 Y HN 0.386 nan 8.280 nan 0.000 0.511 279 R N 0.248 120.734 120.500 -0.022 0.000 2.097 279 R HA -0.307 4.033 4.340 -0.000 0.000 0.236 279 R C 2.503 178.656 176.300 -0.245 0.000 1.135 279 R CA 2.238 58.236 56.100 -0.169 0.000 0.934 279 R CB -0.645 29.468 30.300 -0.310 0.000 0.846 279 R HN 0.594 nan 8.270 nan 0.000 0.431 280 Q N 0.245 119.933 119.800 -0.186 0.000 2.062 280 Q HA -0.276 4.064 4.340 -0.000 0.000 0.209 280 Q C 2.125 178.003 176.000 -0.204 0.000 0.996 280 Q CA 2.686 58.390 55.803 -0.165 0.000 0.859 280 Q CB -0.186 28.484 28.738 -0.113 0.000 0.920 280 Q HN 0.461 nan 8.270 nan 0.000 0.415 281 M N -0.176 119.263 119.600 -0.269 0.000 2.073 281 M HA -0.210 4.270 4.480 -0.000 0.000 0.258 281 M C 2.540 178.642 176.300 -0.331 0.000 1.070 281 M CA 1.826 56.942 55.300 -0.307 0.000 1.103 281 M CB -0.456 31.905 32.600 -0.399 0.000 1.321 281 M HN 0.154 nan 8.290 nan 0.000 0.405 282 S N 0.447 115.862 115.700 -0.475 0.000 2.387 282 S HA -0.108 4.362 4.470 -0.000 0.000 0.230 282 S C 1.784 176.265 174.600 -0.198 0.000 1.035 282 S CA 1.151 59.137 58.200 -0.357 0.000 1.014 282 S CB -0.334 62.644 63.200 -0.371 0.000 0.836 282 S HN 0.325 nan 8.310 nan 0.000 0.466 283 L N 0.573 121.688 121.223 -0.180 0.000 2.023 283 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 283 L C 2.211 179.023 176.870 -0.097 0.000 1.073 283 L CA 1.095 55.863 54.840 -0.120 0.000 0.745 283 L CB -0.609 41.379 42.059 -0.117 0.000 0.900 283 L HN 0.326 nan 8.230 nan 0.000 0.435 284 L N -0.430 120.730 121.223 -0.104 0.000 2.131 284 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 284 L C 2.304 179.133 176.870 -0.070 0.000 1.092 284 L CA 0.892 55.685 54.840 -0.078 0.000 0.759 284 L CB -0.477 41.535 42.059 -0.078 0.000 0.903 284 L HN 0.273 nan 8.230 nan 0.000 0.435 285 L N 0.127 121.296 121.223 -0.090 0.000 2.642 285 L HA -0.062 4.278 4.340 -0.000 0.000 0.236 285 L C 0.518 177.356 176.870 -0.053 0.000 1.169 285 L CA 0.237 55.034 54.840 -0.071 0.000 0.851 285 L CB -0.475 41.526 42.059 -0.096 0.000 0.968 285 L HN 0.301 nan 8.230 nan 0.000 0.453 286 R N 0.988 121.456 120.500 -0.053 0.000 3.127 286 R HA -0.189 4.151 4.340 -0.000 0.000 0.247 286 R C -0.270 176.010 176.300 -0.033 0.000 0.896 286 R CA 0.477 56.553 56.100 -0.039 0.000 0.624 286 R CB -1.449 28.835 30.300 -0.026 0.000 1.154 286 R HN 0.425 nan 8.270 nan 0.000 0.474 287 R N 0.909 121.383 120.500 -0.043 0.000 2.460 287 R HA 0.311 4.650 4.340 -0.000 0.000 0.303 287 R C -2.184 174.108 176.300 -0.013 0.000 0.968 287 R CA -2.153 53.931 56.100 -0.027 0.000 0.889 287 R CB 0.898 31.174 30.300 -0.039 0.000 1.123 287 R HN -0.058 nan 8.270 nan 0.000 0.455 288 P HA -0.024 nan 4.420 nan 0.000 0.255 288 P C -2.359 174.958 177.300 0.028 0.000 1.161 288 P CA -0.609 62.500 63.100 0.015 0.000 0.768 288 P CB -0.196 31.518 31.700 0.024 0.000 0.746 289 P HA 0.236 nan 4.420 nan 0.000 0.271 289 P C 0.553 177.892 177.300 0.064 0.000 1.216 289 P CA 0.130 63.251 63.100 0.035 0.000 0.776 289 P CB 0.908 32.616 31.700 0.013 0.000 0.881 290 G N 1.707 110.576 108.800 0.116 0.000 3.211 290 G HA2 0.377 4.337 3.960 -0.000 0.000 0.167 290 G HA3 0.377 4.337 3.960 -0.000 0.000 0.167 290 G C -0.698 174.285 174.900 0.138 0.000 1.212 290 G CA -0.783 44.391 45.100 0.123 0.000 0.928 290 G HN 0.502 nan 8.290 nan 0.000 0.607 291 R N 0.196 120.762 120.500 0.109 0.000 2.623 291 R HA 0.152 4.492 4.340 -0.000 0.000 0.271 291 R C 0.330 176.827 176.300 0.329 0.000 1.043 291 R CA 0.872 57.021 56.100 0.081 0.000 1.083 291 R CB -0.025 30.140 30.300 -0.225 0.000 0.974 291 R HN 0.684 nan 8.270 nan 0.000 0.436 292 E N 2.185 122.535 120.200 0.251 0.000 2.971 292 E HA -0.353 3.997 4.350 -0.000 0.000 0.271 292 E C 0.292 177.010 176.600 0.197 0.000 1.053 292 E CA 0.868 57.455 56.400 0.311 0.000 0.817 292 E CB -0.878 29.163 29.700 0.569 0.000 1.410 292 E HN 0.860 nan 8.360 nan 0.000 0.445 293 A N -2.934 119.972 122.820 0.142 0.000 3.396 293 A HA -0.311 4.009 4.320 -0.000 0.000 0.267 293 A C 0.113 177.688 177.584 -0.016 0.000 1.139 293 A CA 1.685 53.734 52.037 0.021 0.000 1.115 293 A CB -2.154 16.802 19.000 -0.073 0.000 1.133 293 A HN 0.430 nan 8.150 nan 0.000 0.920 294 Y N -0.068 120.328 120.300 0.161 0.000 2.379 294 Y HA 0.407 4.957 4.550 -0.000 0.000 0.337 294 Y C -1.105 174.899 175.900 0.173 0.000 1.238 294 Y CA -1.159 57.025 58.100 0.141 0.000 1.405 294 Y CB -0.101 38.402 38.460 0.072 0.000 1.310 294 Y HN 0.173 nan 8.280 nan 0.000 0.569 295 P HA -0.016 nan 4.420 nan 0.000 0.273 295 P C 0.604 178.068 177.300 0.275 0.000 1.258 295 P CA 0.457 63.696 63.100 0.232 0.000 0.802 295 P CB 0.524 32.384 31.700 0.266 0.000 1.040 296 G N -0.117 108.813 108.800 0.217 0.000 2.880 296 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.209 296 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.209 296 G C 0.294 175.327 174.900 0.220 0.000 1.157 296 G CA 0.161 45.383 45.100 0.204 0.000 0.779 296 G HN 0.554 nan 8.290 nan 0.000 0.539 297 D N -0.436 120.110 120.400 0.244 0.000 2.398 297 D HA 0.056 4.696 4.640 -0.000 0.000 0.210 297 D C 1.687 178.078 176.300 0.152 0.000 1.094 297 D CA -0.342 53.819 54.000 0.268 0.000 0.839 297 D CB 0.003 40.994 40.800 0.317 0.000 0.963 297 D HN 0.039 nan 8.370 nan 0.000 0.506 298 V N -0.213 119.762 119.914 0.101 0.000 3.305 298 V HA -0.011 4.109 4.120 -0.000 0.000 0.269 298 V C 1.280 177.250 176.094 -0.207 0.000 1.157 298 V CA 0.876 63.095 62.300 -0.135 0.000 1.157 298 V CB -0.760 31.015 31.823 -0.081 0.000 0.772 298 V HN 0.194 nan 8.190 nan 0.000 0.498 299 F N -0.314 119.572 119.950 -0.107 0.000 2.148 299 F HA -0.013 4.514 4.527 -0.000 0.000 0.285 299 F C 2.079 177.896 175.800 0.028 0.000 1.092 299 F CA 1.715 59.694 58.000 -0.036 0.000 1.218 299 F CB -0.703 38.340 39.000 0.072 0.000 1.059 299 F HN 0.232 nan 8.300 nan 0.000 0.490 300 Y N 1.230 121.673 120.300 0.239 0.000 2.172 300 Y HA -0.330 4.220 4.550 -0.000 0.000 0.280 300 Y C 2.131 177.987 175.900 -0.072 0.000 1.209 300 Y CA 1.815 59.974 58.100 0.098 0.000 1.171 300 Y CB -1.113 37.417 38.460 0.118 0.000 0.965 300 Y HN 0.299 nan 8.280 nan 0.000 0.520 301 L N -0.090 120.996 121.223 -0.228 0.000 1.944 301 L HA -0.288 4.052 4.340 -0.000 0.000 0.218 301 L C 2.425 179.143 176.870 -0.253 0.000 1.075 301 L CA 2.636 57.263 54.840 -0.356 0.000 0.767 301 L CB -1.183 40.537 42.059 -0.565 0.000 0.890 301 L HN 0.388 nan 8.230 nan 0.000 0.434 302 H N -1.614 117.268 119.070 -0.313 0.000 2.457 302 H HA -0.066 4.490 4.556 -0.000 0.000 0.294 302 H C 2.208 177.285 175.328 -0.419 0.000 1.064 302 H CA 0.897 56.711 56.048 -0.391 0.000 1.330 302 H CB 0.027 29.553 29.762 -0.394 0.000 1.395 302 H HN 0.546 nan 8.280 nan 0.000 0.541 303 S N 0.478 115.958 115.700 -0.368 0.000 2.470 303 S HA -0.024 4.446 4.470 -0.000 0.000 0.225 303 S C 1.933 176.442 174.600 -0.152 0.000 1.006 303 S CA 0.065 58.071 58.200 -0.324 0.000 0.934 303 S CB 0.145 63.090 63.200 -0.425 0.000 0.778 303 S HN 0.305 nan 8.310 nan 0.000 0.517 304 R N 0.531 120.930 120.500 -0.169 0.000 2.070 304 R HA 0.006 4.346 4.340 -0.000 0.000 0.232 304 R C 2.402 178.661 176.300 -0.069 0.000 1.138 304 R CA 1.543 57.568 56.100 -0.124 0.000 0.936 304 R CB -0.821 29.340 30.300 -0.233 0.000 0.839 304 R HN 0.444 nan 8.270 nan 0.000 0.429 305 L N 1.291 122.442 121.223 -0.120 0.000 1.971 305 L HA -0.183 4.157 4.340 -0.000 0.000 0.215 305 L C 1.954 178.693 176.870 -0.219 0.000 1.072 305 L CA 1.845 56.512 54.840 -0.288 0.000 0.758 305 L CB -0.522 41.114 42.059 -0.704 0.000 0.889 305 L HN 0.157 nan 8.230 nan 0.000 0.433 306 L N -0.827 120.267 121.223 -0.215 0.000 2.395 306 L HA -0.046 4.294 4.340 -0.000 0.000 0.218 306 L C 2.019 178.851 176.870 -0.064 0.000 1.130 306 L CA 0.447 55.210 54.840 -0.128 0.000 0.826 306 L CB -0.381 41.585 42.059 -0.156 0.000 0.941 306 L HN 0.316 nan 8.230 nan 0.000 0.451 307 E N 0.328 120.492 120.200 -0.060 0.000 2.502 307 E HA -0.051 4.299 4.350 -0.000 0.000 0.194 307 E C 1.740 178.334 176.600 -0.010 0.000 1.062 307 E CA 0.373 56.757 56.400 -0.026 0.000 0.867 307 E CB 0.118 29.812 29.700 -0.010 0.000 0.888 307 E HN 0.218 nan 8.360 nan 0.000 0.510 308 R N -0.545 119.950 120.500 -0.009 0.000 2.317 308 R HA 0.331 4.671 4.340 -0.000 0.000 0.208 308 R C 0.079 176.393 176.300 0.023 0.000 0.914 308 R CA 0.294 56.403 56.100 0.014 0.000 1.060 308 R CB 0.637 30.952 30.300 0.025 0.000 1.015 308 R HN -0.032 nan 8.270 nan 0.000 0.498 309 A N 0.869 123.699 122.820 0.016 0.000 2.309 309 A HA 0.751 5.071 4.320 -0.000 0.000 0.298 309 A C -0.304 177.278 177.584 -0.003 0.000 1.165 309 A CA -0.154 51.890 52.037 0.012 0.000 0.821 309 A CB 0.853 19.857 19.000 0.006 0.000 1.102 309 A HN 0.263 nan 8.150 nan 0.000 0.500 310 A N 1.678 124.496 122.820 -0.003 0.000 2.536 310 A HA 0.757 5.077 4.320 -0.000 0.000 0.293 310 A C -1.017 176.561 177.584 -0.010 0.000 1.119 310 A CA -0.619 51.409 52.037 -0.015 0.000 0.654 310 A CB 0.922 19.907 19.000 -0.025 0.000 1.291 310 A HN 1.003 nan 8.150 nan 0.000 0.439 311 K N 1.323 121.711 120.400 -0.020 0.000 2.521 311 K HA 0.534 4.854 4.320 -0.000 0.000 0.248 311 K C -0.787 175.805 176.600 -0.013 0.000 0.978 311 K CA -0.316 55.968 56.287 -0.006 0.000 0.947 311 K CB 0.356 32.844 32.500 -0.019 0.000 1.165 311 K HN 0.589 nan 8.250 nan 0.000 0.445 312 M N 3.453 123.058 119.600 0.010 0.000 2.246 312 M HA 0.100 4.580 4.480 -0.000 0.000 0.350 312 M C 0.266 176.582 176.300 0.026 0.000 1.406 312 M CA -0.216 55.075 55.300 -0.016 0.000 1.089 312 M CB -0.608 32.032 32.600 0.066 0.000 1.782 312 M HN 0.705 nan 8.290 nan 0.000 0.457 313 N N 2.537 121.229 118.700 -0.013 0.000 2.231 313 N HA -0.020 4.720 4.740 -0.000 0.000 0.223 313 N C 0.294 175.878 175.510 0.122 0.000 1.329 313 N CA 0.009 53.085 53.050 0.045 0.000 0.889 313 N CB 0.487 38.992 38.487 0.029 0.000 1.125 313 N HN 0.497 nan 8.380 nan 0.000 0.447 314 D N -0.378 120.085 120.400 0.105 0.000 2.092 314 D HA -0.216 4.424 4.640 -0.000 0.000 0.193 314 D C 1.598 177.976 176.300 0.130 0.000 0.994 314 D CA 2.183 56.243 54.000 0.100 0.000 0.828 314 D CB -0.643 40.197 40.800 0.067 0.000 0.963 314 D HN 0.742 nan 8.370 nan 0.000 0.450 315 A N -0.243 122.675 122.820 0.164 0.000 2.310 315 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 315 A C 1.148 178.807 177.584 0.125 0.000 1.197 315 A CA 1.104 53.235 52.037 0.156 0.000 0.690 315 A CB -0.657 18.470 19.000 0.211 0.000 0.779 315 A HN 0.211 nan 8.150 nan 0.000 0.496 316 F N -2.863 117.086 119.950 -0.002 0.000 2.825 316 F HA 0.425 4.952 4.527 -0.000 0.000 0.322 316 F C 1.531 177.321 175.800 -0.016 0.000 1.127 316 F CA 0.409 58.406 58.000 -0.006 0.000 1.164 316 F CB 1.032 40.033 39.000 0.002 0.000 1.101 316 F HN 0.283 nan 8.300 nan 0.000 0.529 317 G N -0.610 108.258 108.800 0.114 0.000 2.428 317 G HA2 0.029 3.989 3.960 -0.000 0.000 0.199 317 G HA3 0.029 3.989 3.960 -0.000 0.000 0.199 317 G C 1.283 176.208 174.900 0.042 0.000 1.005 317 G CA 0.005 45.130 45.100 0.041 0.000 0.671 317 G HN 0.991 nan 8.290 nan 0.000 0.485 318 G N -0.073 108.783 108.800 0.092 0.000 2.184 318 G HA2 0.148 4.108 3.960 -0.000 0.000 0.264 318 G HA3 0.148 4.108 3.960 -0.000 0.000 0.264 318 G C 1.657 176.639 174.900 0.138 0.000 0.975 318 G CA 1.178 46.336 45.100 0.097 0.000 0.642 318 G HN 2.109 nan 8.290 nan 0.000 0.536 319 G N -0.334 108.524 108.800 0.096 0.000 2.647 319 G HA2 0.584 4.544 3.960 -0.000 0.000 0.271 319 G HA3 0.584 4.544 3.960 -0.000 0.000 0.271 319 G C 0.358 175.405 174.900 0.245 0.000 1.300 319 G CA 1.232 46.405 45.100 0.122 0.000 0.997 319 G HN 1.983 nan 8.290 nan 0.000 0.533 320 S N -1.446 114.442 115.700 0.313 0.000 2.548 320 S HA 0.460 4.930 4.470 -0.000 0.000 0.278 320 S C -1.531 173.145 174.600 0.127 0.000 1.150 320 S CA -0.818 57.492 58.200 0.183 0.000 0.907 320 S CB 1.650 64.882 63.200 0.054 0.000 1.108 320 S HN 1.063 nan 8.310 nan 0.000 0.459 321 L N 2.757 124.014 121.223 0.056 0.000 2.346 321 L HA 0.865 5.205 4.340 -0.000 0.000 0.276 321 L C -0.678 176.180 176.870 -0.020 0.000 1.006 321 L CA 0.286 55.141 54.840 0.024 0.000 0.817 321 L CB 1.842 43.923 42.059 0.037 0.000 1.272 321 L HN 0.931 nan 8.230 nan 0.000 0.421 322 T N 4.378 118.901 114.554 -0.052 0.000 2.841 322 T HA 0.841 5.191 4.350 -0.000 0.000 0.285 322 T C -0.704 173.938 174.700 -0.097 0.000 0.991 322 T CA -0.383 61.673 62.100 -0.074 0.000 0.966 322 T CB 1.495 70.306 68.868 -0.095 0.000 0.962 322 T HN 0.823 nan 8.240 nan 0.000 0.438 323 A N 3.601 126.373 122.820 -0.079 0.000 2.318 323 A HA 0.769 5.089 4.320 -0.000 0.000 0.317 323 A C -0.495 177.034 177.584 -0.091 0.000 1.159 323 A CA -0.740 51.237 52.037 -0.100 0.000 0.799 323 A CB 0.567 19.582 19.000 0.026 0.000 1.194 323 A HN 0.862 nan 8.150 nan 0.000 0.479 324 L N 4.232 125.373 121.223 -0.137 0.000 2.371 324 L HA 0.328 4.668 4.340 -0.000 0.000 0.262 324 L C -2.487 174.331 176.870 -0.087 0.000 1.054 324 L CA -1.775 53.003 54.840 -0.104 0.000 0.924 324 L CB 1.038 43.038 42.059 -0.098 0.000 1.295 324 L HN 0.426 nan 8.230 nan 0.000 0.441 325 P HA 0.223 nan 4.420 nan 0.000 0.276 325 P C -0.591 176.672 177.300 -0.063 0.000 1.244 325 P CA -0.332 62.778 63.100 0.017 0.000 0.801 325 P CB 1.591 33.268 31.700 -0.038 0.000 1.006 326 V N 3.309 123.181 119.914 -0.069 0.000 2.483 326 V HA 0.317 4.437 4.120 -0.000 0.000 0.297 326 V C -0.234 175.814 176.094 -0.077 0.000 1.027 326 V CA -0.510 61.749 62.300 -0.069 0.000 0.855 326 V CB 1.522 33.318 31.823 -0.046 0.000 0.995 326 V HN 0.369 nan 8.190 nan 0.000 0.424 327 I N 3.640 124.166 120.570 -0.073 0.000 2.377 327 I HA 0.432 4.602 4.170 -0.000 0.000 0.293 327 I C 0.286 176.393 176.117 -0.017 0.000 0.987 327 I CA -0.522 60.746 61.300 -0.054 0.000 1.185 327 I CB 1.758 39.724 38.000 -0.058 0.000 1.341 327 I HN 0.742 nan 8.210 nan 0.000 0.455 328 E N 4.607 124.807 120.200 0.000 0.000 2.229 328 E HA 0.350 4.700 4.350 -0.000 0.000 0.283 328 E C -0.421 176.200 176.600 0.035 0.000 1.030 328 E CA -0.380 56.032 56.400 0.020 0.000 0.836 328 E CB 0.955 30.669 29.700 0.024 0.000 1.068 328 E HN 0.721 nan 8.360 nan 0.000 0.401 329 T N 1.841 116.422 114.554 0.046 0.000 2.945 329 T HA 0.367 4.717 4.350 -0.000 0.000 0.286 329 T C -0.309 174.424 174.700 0.055 0.000 1.025 329 T CA -1.074 61.061 62.100 0.059 0.000 1.039 329 T CB 1.616 70.532 68.868 0.080 0.000 1.068 329 T HN 0.324 nan 8.240 nan 0.000 0.497 330 Q N 0.822 120.657 119.800 0.057 0.000 2.348 330 Q HA 0.547 4.887 4.340 -0.000 0.000 0.265 330 Q C 0.493 176.521 176.000 0.047 0.000 0.998 330 Q CA -0.198 55.636 55.803 0.051 0.000 0.831 330 Q CB 1.299 30.070 28.738 0.056 0.000 1.251 330 Q HN 1.298 nan 8.270 nan 0.000 0.456 331 A N 2.326 125.171 122.820 0.041 0.000 2.783 331 A HA -0.183 4.137 4.320 -0.000 0.000 0.292 331 A C 1.149 178.756 177.584 0.038 0.000 1.495 331 A CA 1.498 53.557 52.037 0.037 0.000 0.787 331 A CB -2.117 16.903 19.000 0.033 0.000 1.017 331 A HN 1.581 nan 8.150 nan 0.000 0.516 332 G N -1.282 107.545 108.800 0.045 0.000 2.155 332 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.257 332 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.257 332 G C -0.072 174.855 174.900 0.044 0.000 0.983 332 G CA 0.931 46.060 45.100 0.048 0.000 0.676 332 G HN 1.591 nan 8.290 nan 0.000 0.528 333 D N 0.643 121.072 120.400 0.049 0.000 2.344 333 D HA 0.329 4.969 4.640 -0.000 0.000 0.253 333 D C 1.542 177.882 176.300 0.066 0.000 1.255 333 D CA 0.401 54.430 54.000 0.049 0.000 0.894 333 D CB 0.973 41.803 40.800 0.049 0.000 1.067 333 D HN 0.678 nan 8.370 nan 0.000 0.492 334 V N 1.447 121.400 119.914 0.066 0.000 3.271 334 V HA 0.260 4.380 4.120 -0.000 0.000 0.327 334 V C 0.911 177.057 176.094 0.087 0.000 1.389 334 V CA -0.117 62.242 62.300 0.099 0.000 1.156 334 V CB 0.243 32.141 31.823 0.124 0.000 1.103 334 V HN 0.313 nan 8.190 nan 0.000 0.453 335 S N 0.619 116.359 115.700 0.068 0.000 2.559 335 S HA 0.616 5.086 4.470 -0.000 0.000 0.226 335 S C 1.289 175.935 174.600 0.077 0.000 1.000 335 S CA 0.350 58.588 58.200 0.064 0.000 0.948 335 S CB 0.577 63.800 63.200 0.039 0.000 0.870 335 S HN 0.888 nan 8.310 nan 0.000 0.497 336 A N 0.680 123.551 122.820 0.086 0.000 2.387 336 A HA 0.307 4.627 4.320 -0.000 0.000 0.251 336 A C 0.785 178.466 177.584 0.162 0.000 1.113 336 A CA 0.018 52.120 52.037 0.109 0.000 0.794 336 A CB -0.220 18.841 19.000 0.101 0.000 1.069 336 A HN 0.518 nan 8.150 nan 0.000 0.506 337 Y N -0.305 119.991 120.300 -0.007 0.000 2.145 337 Y HA -0.195 4.355 4.550 -0.000 0.000 0.286 337 Y C 1.814 177.670 175.900 -0.074 0.000 1.145 337 Y CA 1.509 59.584 58.100 -0.042 0.000 1.148 337 Y CB 0.007 38.430 38.460 -0.063 0.000 0.981 337 Y HN 0.494 nan 8.280 nan 0.000 0.507 338 I N 0.493 121.001 120.570 -0.105 0.000 2.193 338 I HA -0.131 4.039 4.170 -0.000 0.000 0.240 338 I C -0.577 175.532 176.117 -0.014 0.000 1.084 338 I CA 0.948 62.143 61.300 -0.175 0.000 1.365 338 I CB -2.845 35.019 38.000 -0.226 0.000 1.064 338 I HN 0.135 nan 8.210 nan 0.000 0.410 339 P HA -0.175 nan 4.420 nan 0.000 0.214 339 P C 1.864 179.217 177.300 0.088 0.000 1.172 339 P CA 2.233 65.364 63.100 0.053 0.000 0.925 339 P CB -0.252 31.494 31.700 0.078 0.000 0.793 340 T N -0.561 114.066 114.554 0.121 0.000 2.624 340 T HA -0.248 4.102 4.350 -0.000 0.000 0.266 340 T C 1.633 176.442 174.700 0.182 0.000 1.050 340 T CA 2.131 64.320 62.100 0.149 0.000 1.163 340 T CB -1.126 67.845 68.868 0.173 0.000 0.861 340 T HN 0.135 nan 8.240 nan 0.000 0.443 341 N N 0.440 119.270 118.700 0.216 0.000 2.025 341 N HA -0.077 4.663 4.740 -0.000 0.000 0.194 341 N C 1.985 177.590 175.510 0.159 0.000 1.044 341 N CA 1.067 54.297 53.050 0.301 0.000 0.851 341 N CB -0.965 37.666 38.487 0.239 0.000 1.036 341 N HN 0.227 nan 8.380 nan 0.000 0.422 342 V N 1.995 121.934 119.914 0.042 0.000 2.261 342 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 342 V C 2.288 178.375 176.094 -0.012 0.000 1.047 342 V CA 1.257 63.524 62.300 -0.054 0.000 1.015 342 V CB -0.548 31.197 31.823 -0.129 0.000 0.642 342 V HN 0.267 nan 8.190 nan 0.000 0.446 343 I N 0.133 120.720 120.570 0.028 0.000 2.236 343 I HA -0.318 3.852 4.170 -0.000 0.000 0.249 343 I C 2.697 178.859 176.117 0.075 0.000 1.102 343 I CA 1.967 63.298 61.300 0.052 0.000 1.365 343 I CB -0.589 37.476 38.000 0.108 0.000 1.051 343 I HN 0.337 nan 8.210 nan 0.000 0.420 344 S N 0.883 116.654 115.700 0.118 0.000 2.356 344 S HA -0.098 4.372 4.470 -0.000 0.000 0.223 344 S C 1.966 176.650 174.600 0.141 0.000 1.032 344 S CA 1.239 59.534 58.200 0.159 0.000 1.005 344 S CB -0.147 63.217 63.200 0.273 0.000 0.867 344 S HN 0.331 nan 8.310 nan 0.000 0.449 345 I N 1.156 121.782 120.570 0.093 0.000 2.333 345 I HA -0.043 4.127 4.170 -0.000 0.000 0.246 345 I C 1.516 177.631 176.117 -0.004 0.000 1.106 345 I CA 0.778 62.090 61.300 0.021 0.000 1.411 345 I CB -0.805 37.116 38.000 -0.132 0.000 1.082 345 I HN 0.388 nan 8.210 nan 0.000 0.420 346 T N -0.661 113.879 114.554 -0.022 0.000 2.726 346 T HA 0.100 4.450 4.350 -0.000 0.000 0.294 346 T C 0.018 174.711 174.700 -0.013 0.000 1.013 346 T CA -0.418 61.661 62.100 -0.034 0.000 0.996 346 T CB 0.843 69.676 68.868 -0.059 0.000 1.016 346 T HN 0.246 nan 8.240 nan 0.000 0.529 347 D N -1.782 118.605 120.400 -0.023 0.000 2.696 347 D HA 0.531 5.171 4.640 -0.000 0.000 0.269 347 D C 0.330 176.618 176.300 -0.019 0.000 1.319 347 D CA -0.596 53.397 54.000 -0.011 0.000 0.826 347 D CB 0.188 40.982 40.800 -0.009 0.000 1.086 347 D HN 0.970 nan 8.370 nan 0.000 0.481 348 G N -0.514 108.264 108.800 -0.036 0.000 2.387 348 G HA2 0.481 4.441 3.960 -0.000 0.000 0.294 348 G HA3 0.481 4.441 3.960 -0.000 0.000 0.294 348 G C -2.020 172.806 174.900 -0.124 0.000 1.509 348 G CA -0.971 44.098 45.100 -0.052 0.000 0.806 348 G HN -0.008 nan 8.290 nan 0.000 0.546 349 Q N -0.487 119.200 119.800 -0.187 0.000 2.359 349 Q HA 0.664 5.004 4.340 -0.000 0.000 0.274 349 Q C -0.627 175.088 176.000 -0.473 0.000 1.074 349 Q CA -0.485 55.020 55.803 -0.496 0.000 0.810 349 Q CB 2.982 31.144 28.738 -0.960 0.000 1.342 349 Q HN 0.537 nan 8.270 nan 0.000 0.427 350 I N 3.300 123.578 120.570 -0.488 0.000 2.405 350 I HA 0.358 4.528 4.170 -0.000 0.000 0.280 350 I C -0.994 174.928 176.117 -0.326 0.000 1.027 350 I CA -0.544 60.590 61.300 -0.277 0.000 1.161 350 I CB 0.396 38.309 38.000 -0.146 0.000 1.300 350 I HN 0.492 nan 8.210 nan 0.000 0.463 351 F N 6.376 126.329 119.950 0.004 0.000 2.396 351 F HA 0.464 4.991 4.527 -0.000 0.000 0.343 351 F C 0.258 176.065 175.800 0.012 0.000 1.104 351 F CA -0.455 57.550 58.000 0.008 0.000 1.161 351 F CB 0.756 39.762 39.000 0.010 0.000 1.146 351 F HN 0.149 nan 8.300 nan 0.000 0.522 352 L N 3.090 124.412 121.223 0.165 0.000 2.334 352 L HA 0.581 4.921 4.340 -0.000 0.000 0.276 352 L C -0.558 176.381 176.870 0.114 0.000 1.014 352 L CA -0.764 54.145 54.840 0.115 0.000 0.815 352 L CB 1.962 44.065 42.059 0.073 0.000 1.268 352 L HN 0.613 nan 8.230 nan 0.000 0.428 353 E N 0.275 120.537 120.200 0.102 0.000 2.266 353 E HA 0.278 4.627 4.350 -0.000 0.000 0.268 353 E C -0.113 176.540 176.600 0.087 0.000 0.879 353 E CA -0.504 55.948 56.400 0.087 0.000 0.762 353 E CB 2.389 32.137 29.700 0.081 0.000 1.199 353 E HN 0.600 nan 8.360 nan 0.000 0.422 354 T N 0.764 115.358 114.554 0.067 0.000 2.904 354 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 354 T C 1.195 175.990 174.700 0.158 0.000 1.059 354 T CA 1.159 63.293 62.100 0.056 0.000 1.137 354 T CB -0.091 68.823 68.868 0.077 0.000 0.879 354 T HN 0.372 nan 8.240 nan 0.000 0.467 355 E N 2.026 122.322 120.200 0.160 0.000 2.072 355 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 355 E C 2.163 178.858 176.600 0.158 0.000 0.985 355 E CA 0.548 57.057 56.400 0.182 0.000 0.801 355 E CB -0.898 28.875 29.700 0.122 0.000 0.750 355 E HN 0.363 nan 8.360 nan 0.000 0.452 356 L N -0.013 121.279 121.223 0.114 0.000 1.971 356 L HA -0.194 4.146 4.340 -0.000 0.000 0.215 356 L C 2.397 179.307 176.870 0.068 0.000 1.072 356 L CA 1.703 56.593 54.840 0.082 0.000 0.758 356 L CB -0.632 41.468 42.059 0.068 0.000 0.889 356 L HN 0.113 nan 8.230 nan 0.000 0.433 357 F N -0.017 119.872 119.950 -0.102 0.000 2.085 357 F HA -0.360 4.167 4.527 -0.000 0.000 0.299 357 F C 2.312 177.973 175.800 -0.232 0.000 1.096 357 F CA 1.974 59.832 58.000 -0.236 0.000 1.227 357 F CB -0.297 38.440 39.000 -0.440 0.000 0.983 357 F HN -0.030 nan 8.300 nan 0.000 0.482 358 Y N -0.806 119.675 120.300 0.303 0.000 2.490 358 Y HA 0.004 4.554 4.550 -0.000 0.000 0.285 358 Y C 2.207 178.157 175.900 0.082 0.000 1.117 358 Y CA 0.418 58.643 58.100 0.209 0.000 1.262 358 Y CB -0.238 38.338 38.460 0.194 0.000 1.043 358 Y HN -0.098 nan 8.280 nan 0.000 0.553 359 K N -0.455 120.060 120.400 0.192 0.000 2.209 359 K HA -0.070 4.250 4.320 -0.000 0.000 0.204 359 K C 1.585 178.217 176.600 0.054 0.000 1.048 359 K CA 1.329 57.682 56.287 0.110 0.000 0.940 359 K CB -0.157 32.396 32.500 0.088 0.000 0.729 359 K HN 0.508 nan 8.250 nan 0.000 0.451 360 G N -0.091 108.707 108.800 -0.003 0.000 3.134 360 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.195 360 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.195 360 G C -0.030 174.794 174.900 -0.126 0.000 1.054 360 G CA -0.381 44.681 45.100 -0.063 0.000 0.828 360 G HN 0.051 nan 8.290 nan 0.000 0.462 361 I N 3.096 123.616 120.570 -0.084 0.000 3.289 361 I HA 0.073 4.243 4.170 -0.000 0.000 0.295 361 I C 0.557 176.561 176.117 -0.188 0.000 1.170 361 I CA 1.099 62.345 61.300 -0.090 0.000 1.643 361 I CB -1.520 36.462 38.000 -0.030 0.000 1.567 361 I HN 0.235 nan 8.210 nan 0.000 0.760 362 R N 7.494 127.856 120.500 -0.231 0.000 2.532 362 R HA 0.415 4.755 4.340 -0.000 0.000 0.297 362 R C -2.416 173.784 176.300 -0.167 0.000 0.984 362 R CA -1.663 54.257 56.100 -0.300 0.000 0.884 362 R CB 2.453 32.441 30.300 -0.521 0.000 1.182 362 R HN 0.253 nan 8.270 nan 0.000 0.442 363 P HA -0.031 nan 4.420 nan 0.000 0.268 363 P C -0.494 176.766 177.300 -0.067 0.000 1.208 363 P CA -0.108 62.940 63.100 -0.087 0.000 0.777 363 P CB 0.808 32.479 31.700 -0.048 0.000 0.875 364 A N 3.757 126.569 122.820 -0.013 0.000 3.260 364 A HA 0.295 4.615 4.320 -0.000 0.000 0.268 364 A C 0.665 178.279 177.584 0.051 0.000 1.491 364 A CA -0.537 51.514 52.037 0.024 0.000 1.181 364 A CB -1.211 17.861 19.000 0.121 0.000 1.137 364 A HN 0.457 nan 8.150 nan 0.000 0.642 365 I N 1.652 122.242 120.570 0.034 0.000 2.363 365 I HA 0.028 4.198 4.170 -0.000 0.000 0.292 365 I C 0.360 176.519 176.117 0.070 0.000 1.075 365 I CA -0.462 60.869 61.300 0.053 0.000 1.333 365 I CB 0.562 38.582 38.000 0.033 0.000 1.415 365 I HN 0.409 nan 8.210 nan 0.000 0.502 366 N N 6.900 125.662 118.700 0.104 0.000 2.406 366 N HA -0.002 4.738 4.740 -0.000 0.000 0.265 366 N C 0.585 176.160 175.510 0.108 0.000 1.203 366 N CA 0.171 53.281 53.050 0.099 0.000 0.945 366 N CB 1.285 39.829 38.487 0.096 0.000 1.165 366 N HN 0.396 nan 8.380 nan 0.000 0.485 367 V N 3.218 123.177 119.914 0.075 0.000 3.510 367 V HA 0.026 4.146 4.120 -0.000 0.000 0.270 367 V C 1.956 178.087 176.094 0.063 0.000 1.201 367 V CA 1.425 63.766 62.300 0.068 0.000 1.166 367 V CB -0.219 31.635 31.823 0.052 0.000 0.825 367 V HN 0.748 nan 8.190 nan 0.000 0.484 368 G N -0.330 108.500 108.800 0.051 0.000 2.510 368 G HA2 0.008 3.968 3.960 -0.000 0.000 0.212 368 G HA3 0.008 3.968 3.960 -0.000 0.000 0.212 368 G C 1.395 176.313 174.900 0.030 0.000 1.151 368 G CA 0.220 45.336 45.100 0.026 0.000 0.817 368 G HN 0.456 nan 8.290 nan 0.000 0.534 369 L N 0.985 122.230 121.223 0.037 0.000 2.168 369 L HA 0.155 4.495 4.340 -0.000 0.000 0.203 369 L C 1.391 178.462 176.870 0.335 0.000 1.078 369 L CA -0.020 54.812 54.840 -0.015 0.000 0.780 369 L CB -0.611 41.240 42.059 -0.346 0.000 0.939 369 L HN -0.009 nan 8.230 nan 0.000 0.451 370 S N 0.168 116.130 115.700 0.437 0.000 2.558 370 S HA 0.223 4.693 4.470 -0.000 0.000 0.287 370 S C -0.179 174.536 174.600 0.191 0.000 1.321 370 S CA -0.004 58.395 58.200 0.332 0.000 1.048 370 S CB 1.452 64.751 63.200 0.165 0.000 0.844 370 S HN 0.133 nan 8.310 nan 0.000 0.512 371 V N 1.497 121.478 119.914 0.113 0.000 3.177 371 V HA 0.678 4.798 4.120 -0.000 0.000 0.287 371 V C -1.339 174.767 176.094 0.020 0.000 1.465 371 V CA -0.513 61.830 62.300 0.071 0.000 1.020 371 V CB 2.437 34.319 31.823 0.099 0.000 1.152 371 V HN 0.880 nan 8.190 nan 0.000 0.448 372 S N 5.000 120.708 115.700 0.012 0.000 2.707 372 S HA 0.535 5.005 4.470 -0.000 0.000 0.303 372 S C 0.525 175.125 174.600 0.001 0.000 1.132 372 S CA -0.639 57.557 58.200 -0.005 0.000 1.046 372 S CB 1.546 64.736 63.200 -0.016 0.000 1.004 372 S HN 0.805 nan 8.310 nan 0.000 0.483 373 R N 3.029 123.530 120.500 0.001 0.000 2.316 373 R HA 0.028 4.368 4.340 -0.000 0.000 0.202 373 R C 1.283 177.582 176.300 -0.002 0.000 1.029 373 R CA 0.784 56.887 56.100 0.005 0.000 1.018 373 R CB -0.278 30.027 30.300 0.009 0.000 0.888 373 R HN 0.525 nan 8.270 nan 0.000 0.471 374 V N -0.034 119.875 119.914 -0.010 0.000 2.426 374 V HA 0.069 4.189 4.120 -0.000 0.000 0.242 374 V C 1.688 177.775 176.094 -0.011 0.000 1.036 374 V CA 1.389 63.681 62.300 -0.014 0.000 1.044 374 V CB -0.560 31.249 31.823 -0.024 0.000 0.688 374 V HN 0.638 nan 8.190 nan 0.000 0.462 375 G N 0.853 109.646 108.800 -0.010 0.000 2.583 375 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.292 375 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.292 375 G C 1.108 176.004 174.900 -0.007 0.000 1.203 375 G CA 0.726 45.823 45.100 -0.006 0.000 0.987 375 G HN 0.497 nan 8.290 nan 0.000 0.554 376 S N 0.623 116.321 115.700 -0.003 0.000 2.402 376 S HA -0.032 4.438 4.470 -0.000 0.000 0.233 376 S C 2.702 177.299 174.600 -0.004 0.000 1.030 376 S CA 2.508 60.707 58.200 -0.001 0.000 1.003 376 S CB -0.643 62.558 63.200 0.001 0.000 0.813 376 S HN 1.814 nan 8.310 nan 0.000 0.477 377 A N 1.095 123.911 122.820 -0.007 0.000 2.121 377 A HA 0.336 4.656 4.320 -0.000 0.000 0.218 377 A C 2.039 179.613 177.584 -0.016 0.000 1.154 377 A CA 1.225 53.256 52.037 -0.010 0.000 0.679 377 A CB -0.634 18.360 19.000 -0.010 0.000 0.795 377 A HN 0.565 nan 8.150 nan 0.000 0.458 378 A N -1.316 121.492 122.820 -0.020 0.000 2.337 378 A HA 0.329 4.649 4.320 -0.000 0.000 0.227 378 A C 0.698 178.266 177.584 -0.026 0.000 1.259 378 A CA -0.098 51.920 52.037 -0.031 0.000 0.870 378 A CB -0.061 18.916 19.000 -0.038 0.000 0.927 378 A HN 0.571 nan 8.150 nan 0.000 0.497 379 Q N 0.101 119.893 119.800 -0.014 0.000 2.342 379 Q HA 0.400 4.740 4.340 -0.000 0.000 0.267 379 Q C -0.057 175.943 176.000 0.000 0.000 1.038 379 Q CA -0.504 55.295 55.803 -0.006 0.000 0.832 379 Q CB 1.969 30.707 28.738 -0.001 0.000 1.323 379 Q HN 0.411 nan 8.270 nan 0.000 0.448 380 T N -0.405 114.153 114.554 0.007 0.000 2.856 380 T HA 0.079 4.429 4.350 -0.000 0.000 0.306 380 T C 0.996 175.704 174.700 0.014 0.000 1.062 380 T CA -0.073 62.034 62.100 0.012 0.000 1.083 380 T CB 0.998 69.878 68.868 0.020 0.000 0.984 380 T HN 0.695 nan 8.240 nan 0.000 0.542 381 R N 2.321 122.829 120.500 0.013 0.000 2.081 381 R HA 0.048 4.388 4.340 -0.000 0.000 0.235 381 R C 2.635 178.946 176.300 0.019 0.000 1.131 381 R CA 1.973 58.081 56.100 0.015 0.000 0.960 381 R CB -1.213 29.095 30.300 0.013 0.000 0.856 381 R HN 0.868 nan 8.270 nan 0.000 0.436 382 A N 0.645 123.476 122.820 0.019 0.000 1.852 382 A HA -0.309 4.011 4.320 -0.000 0.000 0.217 382 A C 2.127 179.730 177.584 0.032 0.000 1.215 382 A CA 2.221 54.272 52.037 0.023 0.000 0.641 382 A CB -0.908 18.101 19.000 0.015 0.000 0.838 382 A HN 0.466 nan 8.150 nan 0.000 0.450 383 M N -0.091 119.526 119.600 0.028 0.000 2.089 383 M HA -0.207 4.273 4.480 -0.000 0.000 0.257 383 M C 1.923 178.239 176.300 0.027 0.000 1.071 383 M CA 2.418 57.735 55.300 0.029 0.000 1.096 383 M CB -0.668 31.946 32.600 0.024 0.000 1.330 383 M HN 0.467 nan 8.290 nan 0.000 0.403 384 K N -0.328 120.085 120.400 0.021 0.000 2.113 384 K HA -0.221 4.099 4.320 -0.000 0.000 0.208 384 K C 1.730 178.343 176.600 0.022 0.000 1.047 384 K CA 1.897 58.194 56.287 0.018 0.000 0.928 384 K CB -0.175 32.333 32.500 0.014 0.000 0.716 384 K HN 0.765 nan 8.250 nan 0.000 0.446 385 Q N -0.244 119.575 119.800 0.031 0.000 2.403 385 Q HA -0.005 4.335 4.340 -0.000 0.000 0.203 385 Q C 1.409 177.437 176.000 0.047 0.000 0.932 385 Q CA 0.588 56.413 55.803 0.037 0.000 0.945 385 Q CB 0.563 29.328 28.738 0.045 0.000 1.045 385 Q HN 0.264 nan 8.270 nan 0.000 0.511 386 V N -4.323 115.619 119.914 0.047 0.000 3.090 386 V HA 0.374 4.494 4.120 -0.000 0.000 0.237 386 V C 2.235 178.337 176.094 0.014 0.000 1.209 386 V CA 0.587 62.910 62.300 0.039 0.000 1.209 386 V CB -0.328 31.543 31.823 0.079 0.000 0.971 386 V HN 0.158 nan 8.190 nan 0.000 0.477 387 A N 1.800 124.631 122.820 0.018 0.000 1.917 387 A HA -0.006 4.314 4.320 -0.000 0.000 0.219 387 A C 2.372 179.957 177.584 0.003 0.000 1.182 387 A CA 2.640 54.683 52.037 0.010 0.000 0.633 387 A CB -1.671 17.337 19.000 0.012 0.000 0.819 387 A HN 0.923 nan 8.150 nan 0.000 0.448 388 G N -0.692 108.110 108.800 0.005 0.000 2.672 388 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 388 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 388 G C 1.619 176.515 174.900 -0.006 0.000 1.238 388 G CA 2.137 47.238 45.100 0.001 0.000 0.791 388 G HN 0.445 nan 8.290 nan 0.000 0.606 389 T N 1.066 115.612 114.554 -0.013 0.000 2.570 389 T HA -0.323 4.027 4.350 -0.000 0.000 0.266 389 T C 2.239 176.922 174.700 -0.029 0.000 1.071 389 T CA 1.937 64.021 62.100 -0.027 0.000 1.172 389 T CB -0.434 68.408 68.868 -0.044 0.000 0.864 389 T HN 0.329 nan 8.240 nan 0.000 0.421 390 M N 1.162 120.743 119.600 -0.031 0.000 2.124 390 M HA -0.304 4.176 4.480 -0.000 0.000 0.253 390 M C 2.298 178.590 176.300 -0.013 0.000 1.077 390 M CA 2.201 57.484 55.300 -0.030 0.000 1.085 390 M CB -0.263 32.323 32.600 -0.024 0.000 1.320 390 M HN 0.188 nan 8.290 nan 0.000 0.404 391 K N -0.044 120.353 120.400 -0.005 0.000 2.009 391 K HA -0.249 4.071 4.320 -0.000 0.000 0.210 391 K C 1.969 178.573 176.600 0.006 0.000 1.049 391 K CA 1.994 58.283 56.287 0.005 0.000 0.929 391 K CB -0.515 31.988 32.500 0.006 0.000 0.714 391 K HN 0.430 nan 8.250 nan 0.000 0.440 392 L N 2.011 123.234 121.223 -0.001 0.000 2.042 392 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 392 L C 1.778 178.649 176.870 0.002 0.000 1.076 392 L CA 1.858 56.697 54.840 -0.002 0.000 0.749 392 L CB -0.628 41.426 42.059 -0.008 0.000 0.893 392 L HN 0.281 nan 8.230 nan 0.000 0.432 393 E N -0.590 119.607 120.200 -0.005 0.000 2.072 393 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 393 E C 2.311 178.934 176.600 0.038 0.000 0.985 393 E CA 1.300 57.699 56.400 -0.002 0.000 0.801 393 E CB -0.247 29.433 29.700 -0.033 0.000 0.750 393 E HN 0.493 nan 8.360 nan 0.000 0.452 394 L N 0.791 122.038 121.223 0.040 0.000 2.046 394 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 394 L C 2.590 179.527 176.870 0.113 0.000 1.077 394 L CA 0.993 55.895 54.840 0.103 0.000 0.747 394 L CB -0.430 41.670 42.059 0.068 0.000 0.896 394 L HN 0.141 nan 8.230 nan 0.000 0.432 395 A N -0.368 122.482 122.820 0.050 0.000 1.883 395 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 395 A C 2.204 179.790 177.584 0.004 0.000 1.186 395 A CA 1.898 53.947 52.037 0.020 0.000 0.624 395 A CB -0.503 18.501 19.000 0.007 0.000 0.822 395 A HN 0.521 nan 8.150 nan 0.000 0.444 396 Q N -2.085 117.725 119.800 0.016 0.000 2.046 396 Q HA -0.188 4.152 4.340 -0.000 0.000 0.200 396 Q C 2.067 178.071 176.000 0.007 0.000 0.975 396 Q CA 1.585 57.387 55.803 -0.002 0.000 0.836 396 Q CB -0.467 28.275 28.738 0.006 0.000 0.896 396 Q HN 0.791 nan 8.270 nan 0.000 0.428 397 Y N 1.891 122.154 120.300 -0.062 0.000 2.181 397 Y HA -0.308 4.242 4.550 -0.000 0.000 0.284 397 Y C 2.070 177.925 175.900 -0.076 0.000 1.179 397 Y CA 1.701 59.761 58.100 -0.065 0.000 1.179 397 Y CB -0.121 38.310 38.460 -0.049 0.000 0.973 397 Y HN -0.062 nan 8.280 nan 0.000 0.519 398 R N 0.079 120.455 120.500 -0.205 0.000 2.066 398 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 398 R C 2.236 178.369 176.300 -0.278 0.000 1.131 398 R CA 1.675 57.596 56.100 -0.298 0.000 0.955 398 R CB -0.349 29.880 30.300 -0.119 0.000 0.851 398 R HN 0.446 nan 8.270 nan 0.000 0.432 399 E N -0.310 119.775 120.200 -0.192 0.000 2.331 399 E HA -0.158 4.192 4.350 -0.000 0.000 0.199 399 E C 1.112 177.531 176.600 -0.302 0.000 1.008 399 E CA 0.904 57.189 56.400 -0.191 0.000 0.843 399 E CB 0.231 29.852 29.700 -0.131 0.000 0.761 399 E HN 0.075 nan 8.360 nan 0.000 0.507 400 V N -0.992 118.696 119.914 -0.377 0.000 3.252 400 V HA 0.304 4.424 4.120 -0.000 0.000 0.320 400 V C 1.249 177.013 176.094 -0.549 0.000 1.459 400 V CA 0.669 62.627 62.300 -0.571 0.000 1.095 400 V CB 0.590 32.178 31.823 -0.392 0.000 0.997 400 V HN 0.227 nan 8.190 nan 0.000 0.469 401 A N 0.637 123.177 122.820 -0.466 0.000 1.978 401 A HA -0.069 4.251 4.320 -0.000 0.000 0.220 401 A C 2.374 179.849 177.584 -0.182 0.000 1.170 401 A CA 2.050 53.847 52.037 -0.400 0.000 0.636 401 A CB -0.590 18.140 19.000 -0.449 0.000 0.810 401 A HN 1.025 nan 8.150 nan 0.000 0.448 402 A N -0.584 122.134 122.820 -0.170 0.000 1.958 402 A HA -0.124 4.196 4.320 -0.000 0.000 0.221 402 A C 1.609 179.421 177.584 0.380 0.000 1.178 402 A CA 1.765 53.864 52.037 0.104 0.000 0.642 402 A CB -0.747 18.367 19.000 0.191 0.000 0.816 402 A HN 0.519 nan 8.150 nan 0.000 0.453 403 F N -0.309 119.657 119.950 0.027 0.000 2.811 403 F HA 0.335 4.862 4.527 -0.000 0.000 0.301 403 F C 2.358 178.188 175.800 0.050 0.000 1.151 403 F CA -0.605 57.429 58.000 0.058 0.000 1.412 403 F CB -1.618 37.408 39.000 0.043 0.000 1.113 403 F HN 0.285 nan 8.300 nan 0.000 0.579 404 A N 0.539 123.476 122.820 0.194 0.000 1.869 404 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 404 A C 2.313 179.955 177.584 0.097 0.000 1.203 404 A CA 1.794 53.905 52.037 0.123 0.000 0.638 404 A CB -0.545 18.506 19.000 0.085 0.000 0.831 404 A HN 0.282 nan 8.150 nan 0.000 0.450 405 Q N -0.956 118.896 119.800 0.087 0.000 1.864 405 Q HA -0.000 4.340 4.340 -0.000 0.000 0.219 405 Q C 1.149 177.103 176.000 -0.076 0.000 0.975 405 Q CA 0.875 56.660 55.803 -0.031 0.000 0.862 405 Q CB -0.924 27.783 28.738 -0.051 0.000 0.913 405 Q HN 0.622 nan 8.270 nan 0.000 0.431 406 F N 1.203 121.179 119.950 0.043 0.000 2.660 406 F HA 0.199 4.726 4.527 -0.000 0.000 0.342 406 F C 0.656 176.442 175.800 -0.024 0.000 1.222 406 F CA 0.320 58.319 58.000 -0.002 0.000 1.396 406 F CB -0.230 38.751 39.000 -0.031 0.000 1.466 406 F HN 0.163 nan 8.300 nan 0.000 0.588 407 G N -0.815 108.055 108.800 0.118 0.000 4.775 407 G HA2 0.130 4.090 3.960 -0.000 0.000 0.222 407 G HA3 0.130 4.090 3.960 -0.000 0.000 0.222 407 G C -0.048 174.899 174.900 0.078 0.000 0.974 407 G CA -0.486 44.676 45.100 0.104 0.000 0.614 407 G HN 0.128 nan 8.290 nan 0.000 0.427 408 S N 0.866 116.588 115.700 0.038 0.000 2.582 408 S HA 0.378 4.848 4.470 -0.000 0.000 0.249 408 S C -0.180 174.434 174.600 0.023 0.000 1.072 408 S CA -0.083 58.131 58.200 0.023 0.000 1.115 408 S CB -0.158 63.040 63.200 -0.003 0.000 0.790 408 S HN 0.791 nan 8.310 nan 0.000 0.459 409 D N -0.266 120.153 120.400 0.032 0.000 2.842 409 D HA 0.305 4.945 4.640 -0.000 0.000 0.178 409 D C -1.058 175.257 176.300 0.026 0.000 1.244 409 D CA -0.712 53.303 54.000 0.024 0.000 1.403 409 D CB -0.841 39.968 40.800 0.015 0.000 1.293 409 D HN 0.114 nan 8.370 nan 0.000 0.680 410 L N -1.435 119.812 121.223 0.040 0.000 2.671 410 L HA 0.596 4.936 4.340 -0.000 0.000 0.259 410 L C -0.899 176.005 176.870 0.058 0.000 1.021 410 L CA -1.295 53.574 54.840 0.048 0.000 0.871 410 L CB 0.366 42.472 42.059 0.079 0.000 1.472 410 L HN 0.182 nan 8.230 nan 0.000 0.410 411 D N 0.869 121.304 120.400 0.058 0.000 2.982 411 D HA -0.057 4.583 4.640 -0.000 0.000 0.222 411 D C 1.260 177.589 176.300 0.048 0.000 1.124 411 D CA 0.746 54.776 54.000 0.049 0.000 0.810 411 D CB 0.666 41.497 40.800 0.052 0.000 1.152 411 D HN 0.926 nan 8.370 nan 0.000 0.538 412 A N 2.926 125.766 122.820 0.033 0.000 2.194 412 A HA -0.041 4.279 4.320 -0.000 0.000 0.220 412 A C 2.240 179.839 177.584 0.025 0.000 1.162 412 A CA 1.761 53.814 52.037 0.027 0.000 0.674 412 A CB -0.440 18.570 19.000 0.017 0.000 0.789 412 A HN 0.753 nan 8.150 nan 0.000 0.470 413 A N -0.427 122.410 122.820 0.028 0.000 1.898 413 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 413 A C 2.364 179.966 177.584 0.030 0.000 1.181 413 A CA 2.273 54.324 52.037 0.024 0.000 0.620 413 A CB -0.922 18.093 19.000 0.024 0.000 0.819 413 A HN 0.816 nan 8.150 nan 0.000 0.442 414 T N -3.732 110.851 114.554 0.049 0.000 3.037 414 T HA 0.065 4.415 4.350 -0.000 0.000 0.251 414 T C 1.737 176.477 174.700 0.067 0.000 1.079 414 T CA 0.916 63.050 62.100 0.057 0.000 1.067 414 T CB -0.038 68.880 68.868 0.083 0.000 0.948 414 T HN 0.424 nan 8.240 nan 0.000 0.496 415 Q N 0.610 120.448 119.800 0.064 0.000 2.181 415 Q HA -0.188 4.152 4.340 -0.000 0.000 0.205 415 Q C 2.396 178.419 176.000 0.040 0.000 0.980 415 Q CA 1.636 57.474 55.803 0.059 0.000 0.862 415 Q CB -0.204 28.560 28.738 0.044 0.000 0.905 415 Q HN 0.570 nan 8.270 nan 0.000 0.429 416 Q N 0.349 120.165 119.800 0.026 0.000 1.993 416 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 416 Q C 1.856 177.861 176.000 0.008 0.000 0.984 416 Q CA 1.983 57.789 55.803 0.006 0.000 0.837 416 Q CB -0.463 28.273 28.738 -0.003 0.000 0.902 416 Q HN 0.537 nan 8.270 nan 0.000 0.423 417 L N -0.209 121.030 121.223 0.027 0.000 2.079 417 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 417 L C 2.357 179.290 176.870 0.105 0.000 1.081 417 L CA 0.633 55.501 54.840 0.047 0.000 0.752 417 L CB -0.805 41.286 42.059 0.054 0.000 0.896 417 L HN 0.236 nan 8.230 nan 0.000 0.433 418 L N 0.016 121.322 121.223 0.138 0.000 2.013 418 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 418 L C 2.793 179.674 176.870 0.019 0.000 1.073 418 L CA 1.810 56.771 54.840 0.203 0.000 0.753 418 L CB -0.833 41.320 42.059 0.156 0.000 0.890 418 L HN 0.153 nan 8.230 nan 0.000 0.432 419 S N -1.196 114.495 115.700 -0.014 0.000 2.343 419 S HA -0.239 4.231 4.470 -0.000 0.000 0.219 419 S C 2.069 176.589 174.600 -0.134 0.000 1.033 419 S CA 1.373 59.533 58.200 -0.066 0.000 1.014 419 S CB -0.322 62.852 63.200 -0.044 0.000 0.915 419 S HN 0.298 nan 8.310 nan 0.000 0.435 420 R N 1.606 122.032 120.500 -0.123 0.000 2.096 420 R HA -0.078 4.262 4.340 -0.000 0.000 0.240 420 R C 2.234 178.384 176.300 -0.251 0.000 1.139 420 R CA 2.081 58.089 56.100 -0.153 0.000 0.952 420 R CB -1.374 28.859 30.300 -0.113 0.000 0.854 420 R HN 0.386 nan 8.270 nan 0.000 0.436 421 G N -0.144 108.432 108.800 -0.372 0.000 2.480 421 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 421 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 421 G C 1.474 175.793 174.900 -0.969 0.000 1.200 421 G CA 1.706 46.280 45.100 -0.876 0.000 0.782 421 G HN 0.401 nan 8.290 nan 0.000 0.554 422 V N -1.159 118.283 119.914 -0.788 0.000 2.594 422 V HA -0.000 4.120 4.120 -0.000 0.000 0.253 422 V C 2.528 178.469 176.094 -0.256 0.000 1.069 422 V CA 2.152 64.195 62.300 -0.428 0.000 1.082 422 V CB -0.562 31.149 31.823 -0.187 0.000 0.680 422 V HN 0.313 nan 8.190 nan 0.000 0.469 423 R N -0.205 120.153 120.500 -0.237 0.000 2.055 423 R HA 0.223 4.563 4.340 -0.000 0.000 0.226 423 R C 2.450 178.665 176.300 -0.141 0.000 1.135 423 R CA 1.574 57.582 56.100 -0.154 0.000 0.959 423 R CB -0.459 29.757 30.300 -0.139 0.000 0.854 423 R HN 0.440 nan 8.270 nan 0.000 0.431 424 L N 0.204 121.327 121.223 -0.167 0.000 2.051 424 L HA -0.272 4.068 4.340 -0.000 0.000 0.214 424 L C 2.304 179.110 176.870 -0.106 0.000 1.076 424 L CA 1.546 56.309 54.840 -0.128 0.000 0.758 424 L CB -0.677 41.302 42.059 -0.134 0.000 0.890 424 L HN 0.320 nan 8.230 nan 0.000 0.433 425 T N -1.123 113.344 114.554 -0.146 0.000 2.746 425 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 425 T C 1.793 176.458 174.700 -0.058 0.000 1.039 425 T CA 1.098 63.145 62.100 -0.088 0.000 1.142 425 T CB -0.093 68.717 68.868 -0.095 0.000 0.866 425 T HN 0.302 nan 8.240 nan 0.000 0.444 426 E N 0.964 121.124 120.200 -0.066 0.000 2.153 426 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 426 E C 2.245 178.829 176.600 -0.026 0.000 0.988 426 E CA 0.669 57.046 56.400 -0.038 0.000 0.811 426 E CB -0.320 29.361 29.700 -0.032 0.000 0.746 426 E HN 0.486 nan 8.360 nan 0.000 0.466 427 L N 0.312 121.515 121.223 -0.033 0.000 2.201 427 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 427 L C 2.245 179.105 176.870 -0.017 0.000 1.105 427 L CA 0.632 55.460 54.840 -0.020 0.000 0.775 427 L CB -0.225 41.817 42.059 -0.027 0.000 0.913 427 L HN 0.088 nan 8.230 nan 0.000 0.440 428 L N -0.703 120.507 121.223 -0.023 0.000 2.591 428 L HA 0.022 4.362 4.340 -0.000 0.000 0.228 428 L C 0.759 177.614 176.870 -0.024 0.000 1.133 428 L CA 0.111 54.941 54.840 -0.018 0.000 0.880 428 L CB -0.264 41.786 42.059 -0.014 0.000 1.033 428 L HN 0.135 nan 8.230 nan 0.000 0.450 429 K N 1.170 121.552 120.400 -0.029 0.000 2.295 429 K HA 0.274 4.594 4.320 -0.000 0.000 0.270 429 K C -0.194 176.384 176.600 -0.036 0.000 1.011 429 K CA 0.167 56.428 56.287 -0.042 0.000 0.953 429 K CB 0.889 33.364 32.500 -0.041 0.000 0.956 429 K HN -0.020 nan 8.250 nan 0.000 0.477 430 Q N 0.218 119.988 119.800 -0.051 0.000 2.386 430 Q HA 0.332 4.672 4.340 -0.000 0.000 0.274 430 Q C -0.974 174.991 176.000 -0.059 0.000 1.011 430 Q CA -0.624 55.154 55.803 -0.042 0.000 0.867 430 Q CB 1.878 30.595 28.738 -0.035 0.000 1.409 430 Q HN 0.799 nan 8.270 nan 0.000 0.395 431 G N 1.304 110.078 108.800 -0.042 0.000 2.562 431 G HA2 0.218 4.178 3.960 -0.000 0.000 0.275 431 G HA3 0.218 4.178 3.960 -0.000 0.000 0.275 431 G C -0.773 174.079 174.900 -0.080 0.000 1.196 431 G CA -0.244 44.826 45.100 -0.049 0.000 0.908 431 G HN 0.598 nan 8.290 nan 0.000 0.524 432 Q N -1.012 118.715 119.800 -0.123 0.000 2.340 432 Q HA 0.252 4.592 4.340 -0.000 0.000 0.249 432 Q C -0.444 175.451 176.000 -0.175 0.000 0.957 432 Q CA -0.295 55.323 55.803 -0.309 0.000 0.882 432 Q CB 0.253 28.663 28.738 -0.546 0.000 1.235 432 Q HN 0.612 nan 8.270 nan 0.000 0.439 433 Y N 0.065 120.366 120.300 0.002 0.000 3.825 433 Y HA -0.264 4.286 4.550 -0.000 0.000 0.221 433 Y C -0.117 175.784 175.900 0.002 0.000 1.195 433 Y CA 0.443 58.543 58.100 -0.000 0.000 1.699 433 Y CB -1.939 36.519 38.460 -0.003 0.000 1.531 433 Y HN 0.358 nan 8.280 nan 0.000 0.640 434 S N -0.295 115.455 115.700 0.084 0.000 2.327 434 S HA 0.287 4.757 4.470 -0.000 0.000 0.203 434 S C -2.465 172.155 174.600 0.035 0.000 1.326 434 S CA -0.918 57.318 58.200 0.059 0.000 1.248 434 S CB 0.656 63.881 63.200 0.041 0.000 1.199 434 S HN 0.007 nan 8.310 nan 0.000 0.422 435 P HA 0.172 nan 4.420 nan 0.000 0.267 435 P C -0.300 177.016 177.300 0.027 0.000 1.209 435 P CA 0.207 63.329 63.100 0.038 0.000 0.763 435 P CB 0.318 32.054 31.700 0.060 0.000 0.816 436 M N 2.073 121.686 119.600 0.021 0.000 2.342 436 M HA 0.510 4.989 4.480 -0.000 0.000 0.332 436 M C 0.622 176.928 176.300 0.011 0.000 1.166 436 M CA -0.806 54.499 55.300 0.008 0.000 1.086 436 M CB 1.371 33.976 32.600 0.007 0.000 1.541 436 M HN 0.290 nan 8.290 nan 0.000 0.462 437 A N 1.407 124.216 122.820 -0.017 0.000 2.407 437 A HA 0.230 4.550 4.320 -0.000 0.000 0.248 437 A C 0.885 178.470 177.584 0.001 0.000 1.082 437 A CA -0.449 51.571 52.037 -0.030 0.000 0.785 437 A CB 0.135 19.085 19.000 -0.084 0.000 1.020 437 A HN 0.933 nan 8.150 nan 0.000 0.489 438 I N 0.859 121.445 120.570 0.027 0.000 2.208 438 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 438 I C 2.541 178.668 176.117 0.017 0.000 1.097 438 I CA 2.419 63.741 61.300 0.038 0.000 1.363 438 I CB -0.275 37.764 38.000 0.064 0.000 1.051 438 I HN 0.861 nan 8.210 nan 0.000 0.413 439 E N 0.460 120.658 120.200 -0.003 0.000 2.072 439 E HA -0.272 4.078 4.350 -0.000 0.000 0.191 439 E C 1.846 178.439 176.600 -0.012 0.000 0.985 439 E CA 1.587 57.978 56.400 -0.015 0.000 0.801 439 E CB -0.827 28.852 29.700 -0.035 0.000 0.750 439 E HN 0.637 nan 8.360 nan 0.000 0.452 440 E N 1.133 121.322 120.200 -0.019 0.000 2.049 440 E HA -0.230 4.120 4.350 -0.000 0.000 0.198 440 E C 2.400 179.018 176.600 0.029 0.000 1.007 440 E CA 1.823 58.219 56.400 -0.007 0.000 0.809 440 E CB -0.155 29.532 29.700 -0.023 0.000 0.749 440 E HN 0.395 nan 8.360 nan 0.000 0.450 441 Q N 0.294 120.108 119.800 0.025 0.000 2.014 441 Q HA -0.197 4.143 4.340 -0.000 0.000 0.207 441 Q C 2.438 178.468 176.000 0.050 0.000 0.993 441 Q CA 1.910 57.734 55.803 0.035 0.000 0.850 441 Q CB -0.323 28.432 28.738 0.029 0.000 0.916 441 Q HN 0.168 nan 8.270 nan 0.000 0.417 442 V N 1.249 121.191 119.914 0.047 0.000 2.370 442 V HA -0.354 3.766 4.120 -0.000 0.000 0.252 442 V C 2.262 178.420 176.094 0.106 0.000 1.068 442 V CA 1.865 64.204 62.300 0.065 0.000 1.061 442 V CB -1.273 30.575 31.823 0.041 0.000 0.656 442 V HN 0.447 nan 8.190 nan 0.000 0.455 443 A N 0.203 123.080 122.820 0.095 0.000 1.835 443 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 443 A C 2.501 180.202 177.584 0.195 0.000 1.199 443 A CA 2.272 54.406 52.037 0.162 0.000 0.615 443 A CB -1.024 18.089 19.000 0.187 0.000 0.838 443 A HN 0.552 nan 8.150 nan 0.000 0.444 444 V N -0.102 119.897 119.914 0.142 0.000 2.490 444 V HA -0.215 3.905 4.120 -0.000 0.000 0.250 444 V C 2.148 178.254 176.094 0.020 0.000 1.061 444 V CA 2.338 64.655 62.300 0.029 0.000 1.064 444 V CB -0.538 31.308 31.823 0.038 0.000 0.670 444 V HN 0.511 nan 8.190 nan 0.000 0.461 445 I N -0.886 119.718 120.570 0.056 0.000 2.286 445 I HA -0.145 4.025 4.170 -0.000 0.000 0.245 445 I C 2.419 178.566 176.117 0.049 0.000 1.104 445 I CA 2.103 63.424 61.300 0.035 0.000 1.397 445 I CB -0.583 37.439 38.000 0.036 0.000 1.072 445 I HN 0.495 nan 8.210 nan 0.000 0.417 446 Y N 2.078 122.372 120.300 -0.010 0.000 2.102 446 Y HA -0.411 4.139 4.550 -0.000 0.000 0.280 446 Y C 2.521 178.424 175.900 0.005 0.000 1.178 446 Y CA 1.727 59.831 58.100 0.006 0.000 1.146 446 Y CB -0.435 38.054 38.460 0.049 0.000 0.968 446 Y HN 0.155 nan 8.280 nan 0.000 0.504 447 A N 0.267 123.169 122.820 0.136 0.000 1.869 447 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 447 A C 2.499 180.032 177.584 -0.085 0.000 1.203 447 A CA 2.379 54.453 52.037 0.062 0.000 0.638 447 A CB -1.812 17.133 19.000 -0.091 0.000 0.831 447 A HN 0.641 nan 8.150 nan 0.000 0.450 448 G N -1.616 107.123 108.800 -0.103 0.000 2.394 448 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.215 448 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.215 448 G C 1.484 176.262 174.900 -0.205 0.000 1.165 448 G CA 0.974 45.989 45.100 -0.141 0.000 0.784 448 G HN 0.480 nan 8.290 nan 0.000 0.535 449 V N 0.279 120.071 119.914 -0.202 0.000 3.141 449 V HA 0.127 4.247 4.120 -0.000 0.000 0.265 449 V C 2.076 177.983 176.094 -0.311 0.000 1.126 449 V CA 0.936 63.112 62.300 -0.207 0.000 1.141 449 V CB -0.331 31.407 31.823 -0.142 0.000 0.743 449 V HN 0.239 nan 8.190 nan 0.000 0.492 450 R N -1.083 119.124 120.500 -0.490 0.000 2.546 450 R HA 0.310 4.649 4.340 -0.000 0.000 0.320 450 R C 1.413 177.220 176.300 -0.822 0.000 1.021 450 R CA 0.713 56.393 56.100 -0.700 0.000 1.088 450 R CB 0.783 30.448 30.300 -1.059 0.000 1.278 450 R HN 0.558 nan 8.270 nan 0.000 0.557 451 G N 0.689 109.167 108.800 -0.537 0.000 2.729 451 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.216 451 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.216 451 G C 0.893 175.622 174.900 -0.286 0.000 1.252 451 G CA 0.213 45.081 45.100 -0.387 0.000 0.751 451 G HN 0.407 nan 8.290 nan 0.000 0.527 452 Y N 1.107 121.318 120.300 -0.149 0.000 2.265 452 Y HA -0.185 4.365 4.550 -0.000 0.000 0.280 452 Y C 2.648 178.432 175.900 -0.192 0.000 1.222 452 Y CA 1.269 59.286 58.100 -0.139 0.000 1.226 452 Y CB -0.364 38.029 38.460 -0.112 0.000 0.968 452 Y HN 0.337 nan 8.280 nan 0.000 0.540 453 L N -0.194 120.968 121.223 -0.101 0.000 2.592 453 L HA -0.037 4.303 4.340 -0.000 0.000 0.227 453 L C 0.917 177.698 176.870 -0.149 0.000 1.127 453 L CA 0.156 54.879 54.840 -0.194 0.000 0.884 453 L CB -0.251 41.686 42.059 -0.203 0.000 1.065 453 L HN 0.193 nan 8.230 nan 0.000 0.457 454 D N 0.829 121.161 120.400 -0.113 0.000 2.219 454 D HA -0.111 4.529 4.640 -0.000 0.000 0.205 454 D C 1.249 177.505 176.300 -0.073 0.000 0.970 454 D CA 1.229 55.172 54.000 -0.095 0.000 0.851 454 D CB 0.179 40.927 40.800 -0.087 0.000 0.943 454 D HN 0.125 nan 8.370 nan 0.000 0.488 455 K N -0.009 120.351 120.400 -0.067 0.000 2.965 455 K HA 0.230 4.550 4.320 -0.000 0.000 0.216 455 K C -0.764 175.806 176.600 -0.051 0.000 1.164 455 K CA -0.310 55.948 56.287 -0.047 0.000 1.153 455 K CB 0.416 32.898 32.500 -0.030 0.000 1.045 455 K HN -0.060 nan 8.250 nan 0.000 0.460 456 L N 0.055 121.238 121.223 -0.067 0.000 2.408 456 L HA 0.309 4.649 4.340 -0.000 0.000 0.268 456 L C -0.782 176.072 176.870 -0.027 0.000 0.986 456 L CA -0.511 54.298 54.840 -0.053 0.000 0.820 456 L CB 1.845 43.827 42.059 -0.129 0.000 1.303 456 L HN 0.045 nan 8.230 nan 0.000 0.411 457 E N 5.968 126.173 120.200 0.007 0.000 2.351 457 E HA 0.101 4.451 4.350 -0.000 0.000 0.266 457 E C -1.752 174.859 176.600 0.018 0.000 1.031 457 E CA -1.416 54.990 56.400 0.010 0.000 0.911 457 E CB 1.214 30.925 29.700 0.018 0.000 0.986 457 E HN 0.496 nan 8.360 nan 0.000 0.446 458 P HA -0.293 nan 4.420 nan 0.000 0.222 458 P C 1.117 178.432 177.300 0.025 0.000 1.155 458 P CA 1.825 64.924 63.100 -0.002 0.000 0.890 458 P CB 0.150 31.843 31.700 -0.011 0.000 0.790 459 S N -0.001 115.720 115.700 0.035 0.000 2.368 459 S HA -0.234 4.236 4.470 -0.000 0.000 0.226 459 S C 1.657 176.311 174.600 0.090 0.000 1.044 459 S CA 1.506 59.737 58.200 0.052 0.000 1.062 459 S CB -1.009 62.219 63.200 0.047 0.000 0.931 459 S HN 0.319 nan 8.310 nan 0.000 0.440 460 K N 1.131 121.606 120.400 0.125 0.000 2.283 460 K HA 0.123 4.443 4.320 -0.000 0.000 0.202 460 K C 2.024 178.767 176.600 0.238 0.000 1.048 460 K CA 0.578 57.006 56.287 0.236 0.000 0.948 460 K CB -0.478 32.220 32.500 0.331 0.000 0.742 460 K HN 0.428 nan 8.250 nan 0.000 0.458 461 I N 1.891 122.541 120.570 0.134 0.000 2.118 461 I HA -0.283 3.887 4.170 -0.000 0.000 0.241 461 I C 2.013 178.215 176.117 0.142 0.000 1.070 461 I CA 1.876 63.246 61.300 0.118 0.000 1.327 461 I CB -1.290 36.737 38.000 0.045 0.000 1.034 461 I HN 0.214 nan 8.210 nan 0.000 0.405 462 T N -0.336 114.279 114.554 0.102 0.000 2.977 462 T HA -0.209 4.141 4.350 -0.000 0.000 0.271 462 T C 1.787 176.550 174.700 0.104 0.000 1.105 462 T CA 1.239 63.388 62.100 0.081 0.000 1.116 462 T CB -0.180 68.721 68.868 0.055 0.000 0.878 462 T HN 0.364 nan 8.240 nan 0.000 0.509 463 K N 0.063 120.565 120.400 0.171 0.000 2.099 463 K HA 0.129 4.449 4.320 -0.000 0.000 0.203 463 K C 1.929 178.646 176.600 0.195 0.000 1.047 463 K CA 0.245 56.673 56.287 0.234 0.000 0.963 463 K CB -0.237 32.477 32.500 0.356 0.000 0.759 463 K HN 0.257 nan 8.250 nan 0.000 0.451 464 F N 2.862 122.746 119.950 -0.110 0.000 2.065 464 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 464 F C 2.119 177.827 175.800 -0.154 0.000 1.112 464 F CA 2.355 60.000 58.000 -0.591 0.000 1.212 464 F CB -0.411 38.136 39.000 -0.756 0.000 0.975 464 F HN 0.236 nan 8.300 nan 0.000 0.476 465 E N -0.104 120.005 120.200 -0.152 0.000 2.153 465 E HA -0.296 4.054 4.350 -0.000 0.000 0.194 465 E C 1.902 178.427 176.600 -0.126 0.000 0.988 465 E CA 1.579 57.857 56.400 -0.203 0.000 0.811 465 E CB -0.710 28.979 29.700 -0.018 0.000 0.746 465 E HN 0.597 nan 8.360 nan 0.000 0.466 466 N N 0.373 119.042 118.700 -0.051 0.000 2.142 466 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 466 N C 1.745 177.250 175.510 -0.008 0.000 1.023 466 N CA 1.854 54.901 53.050 -0.004 0.000 0.852 466 N CB -0.185 38.331 38.487 0.049 0.000 0.998 466 N HN 0.320 nan 8.380 nan 0.000 0.424 467 A N -0.447 122.387 122.820 0.023 0.000 1.898 467 A HA -0.017 4.303 4.320 -0.000 0.000 0.214 467 A C 2.075 179.591 177.584 -0.113 0.000 1.183 467 A CA 0.819 52.923 52.037 0.112 0.000 0.622 467 A CB -1.059 18.174 19.000 0.388 0.000 0.824 467 A HN 0.498 nan 8.150 nan 0.000 0.444 468 F N 0.223 119.817 119.950 -0.594 0.000 2.126 468 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 468 F C 1.787 177.226 175.800 -0.602 0.000 1.096 468 F CA 1.757 59.116 58.000 -1.070 0.000 1.255 468 F CB -0.186 38.007 39.000 -1.345 0.000 0.997 468 F HN 0.196 nan 8.300 nan 0.000 0.479 469 L N -0.140 120.946 121.223 -0.228 0.000 1.994 469 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 469 L C 2.749 179.447 176.870 -0.287 0.000 1.071 469 L CA 2.164 56.886 54.840 -0.197 0.000 0.745 469 L CB -1.295 40.733 42.059 -0.052 0.000 0.892 469 L HN 0.267 nan 8.230 nan 0.000 0.431 470 S N -1.691 113.894 115.700 -0.191 0.000 2.359 470 S HA -0.319 4.151 4.470 -0.000 0.000 0.224 470 S C 2.113 176.618 174.600 -0.158 0.000 1.035 470 S CA 1.553 59.676 58.200 -0.128 0.000 1.018 470 S CB -0.478 62.699 63.200 -0.038 0.000 0.876 470 S HN 0.774 nan 8.310 nan 0.000 0.448 471 H N 1.201 120.069 119.070 -0.337 0.000 2.289 471 H HA -0.101 4.455 4.556 -0.000 0.000 0.296 471 H C 2.165 177.318 175.328 -0.290 0.000 1.091 471 H CA 2.544 58.403 56.048 -0.316 0.000 1.274 471 H CB -0.834 28.601 29.762 -0.545 0.000 1.364 471 H HN 0.276 nan 8.280 nan 0.000 0.490 472 V N -0.339 119.194 119.914 -0.634 0.000 2.427 472 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 472 V C 2.414 178.329 176.094 -0.299 0.000 1.051 472 V CA 1.898 63.885 62.300 -0.522 0.000 1.048 472 V CB -0.703 30.740 31.823 -0.634 0.000 0.666 472 V HN 0.512 nan 8.190 nan 0.000 0.456 473 I N 1.786 122.198 120.570 -0.264 0.000 2.361 473 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 473 I C 2.804 178.834 176.117 -0.146 0.000 1.133 473 I CA 2.064 63.259 61.300 -0.174 0.000 1.413 473 I CB -0.330 37.585 38.000 -0.141 0.000 1.073 473 I HN 0.656 nan 8.210 nan 0.000 0.424 474 S N -0.505 115.104 115.700 -0.152 0.000 2.412 474 S HA -0.070 4.400 4.470 -0.000 0.000 0.223 474 S C 1.851 176.354 174.600 -0.162 0.000 1.048 474 S CA 0.112 58.238 58.200 -0.123 0.000 0.954 474 S CB -0.049 63.103 63.200 -0.080 0.000 0.840 474 S HN 0.199 nan 8.310 nan 0.000 0.503 475 Q N 1.689 121.348 119.800 -0.235 0.000 1.732 475 Q HA 0.078 4.418 4.340 -0.000 0.000 0.350 475 Q C 0.989 176.780 176.000 -0.348 0.000 0.976 475 Q CA 1.862 57.456 55.803 -0.348 0.000 0.895 475 Q CB -1.027 27.383 28.738 -0.546 0.000 0.934 475 Q HN 0.796 nan 8.270 nan 0.000 0.413 476 H N 0.366 119.248 119.070 -0.314 0.000 3.068 476 H HA 0.053 4.609 4.556 -0.000 0.000 0.297 476 H C 0.859 176.072 175.328 -0.191 0.000 1.135 476 H CA 0.168 56.080 56.048 -0.227 0.000 1.207 476 H CB -0.364 29.256 29.762 -0.236 0.000 1.307 476 H HN 0.273 nan 8.280 nan 0.000 0.624 477 Q N 1.204 120.945 119.800 -0.098 0.000 2.404 477 Q HA -0.233 4.107 4.340 -0.000 0.000 0.214 477 Q C 1.861 177.820 176.000 -0.069 0.000 0.992 477 Q CA 1.146 56.894 55.803 -0.091 0.000 0.899 477 Q CB -0.242 28.437 28.738 -0.097 0.000 0.921 477 Q HN 0.647 nan 8.270 nan 0.000 0.453 478 A N 0.002 122.784 122.820 -0.062 0.000 2.365 478 A HA -0.162 4.158 4.320 -0.000 0.000 0.201 478 A C 0.696 178.260 177.584 -0.033 0.000 1.169 478 A CA 1.546 53.557 52.037 -0.044 0.000 0.869 478 A CB -0.925 18.054 19.000 -0.035 0.000 0.810 478 A HN 0.342 nan 8.150 nan 0.000 0.540 479 L N -0.310 120.904 121.223 -0.015 0.000 2.796 479 L HA 0.351 4.691 4.340 -0.000 0.000 0.235 479 L C 0.684 177.520 176.870 -0.057 0.000 1.344 479 L CA 0.424 55.245 54.840 -0.033 0.000 1.245 479 L CB 0.150 42.193 42.059 -0.027 0.000 1.556 479 L HN 0.581 nan 8.230 nan 0.000 0.423 480 L N -0.495 120.691 121.223 -0.061 0.000 3.147 480 L HA 0.458 4.798 4.340 -0.000 0.000 0.166 480 L C 2.196 179.027 176.870 -0.065 0.000 1.146 480 L CA 1.149 55.943 54.840 -0.077 0.000 0.858 480 L CB -0.788 41.216 42.059 -0.092 0.000 1.500 480 L HN 0.226 nan 8.230 nan 0.000 0.547 481 G N 0.240 109.001 108.800 -0.065 0.000 2.581 481 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.223 481 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.223 481 G C 1.525 176.397 174.900 -0.047 0.000 1.094 481 G CA 1.506 46.571 45.100 -0.060 0.000 0.736 481 G HN 0.416 nan 8.290 nan 0.000 0.588 482 K N -0.134 120.239 120.400 -0.044 0.000 2.137 482 K HA 0.225 4.545 4.320 -0.000 0.000 0.202 482 K C 2.364 178.944 176.600 -0.033 0.000 1.052 482 K CA 0.180 56.446 56.287 -0.035 0.000 0.961 482 K CB -0.200 32.281 32.500 -0.032 0.000 0.741 482 K HN 0.293 nan 8.250 nan 0.000 0.452 483 I N 1.408 121.952 120.570 -0.042 0.000 2.248 483 I HA -0.331 3.838 4.170 -0.000 0.000 0.248 483 I C 2.649 178.751 176.117 -0.025 0.000 1.107 483 I CA 1.346 62.623 61.300 -0.039 0.000 1.373 483 I CB -0.225 37.743 38.000 -0.054 0.000 1.055 483 I HN 0.304 nan 8.210 nan 0.000 0.418 484 R N 0.867 121.351 120.500 -0.027 0.000 2.070 484 R HA -0.182 4.158 4.340 -0.000 0.000 0.227 484 R C 2.473 178.768 176.300 -0.007 0.000 1.147 484 R CA 2.512 58.602 56.100 -0.017 0.000 0.924 484 R CB -0.733 29.548 30.300 -0.032 0.000 0.827 484 R HN 0.388 nan 8.270 nan 0.000 0.431 485 T N -1.293 113.252 114.554 -0.014 0.000 2.746 485 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 485 T C 1.453 176.152 174.700 -0.002 0.000 1.039 485 T CA 1.624 63.720 62.100 -0.006 0.000 1.142 485 T CB -0.520 68.341 68.868 -0.013 0.000 0.866 485 T HN 0.251 nan 8.240 nan 0.000 0.444 486 D N 1.310 121.705 120.400 -0.007 0.000 2.263 486 D HA 0.149 4.789 4.640 -0.000 0.000 0.208 486 D C 1.984 178.284 176.300 0.001 0.000 0.971 486 D CA 1.546 55.544 54.000 -0.004 0.000 0.867 486 D CB -0.737 40.058 40.800 -0.008 0.000 0.929 486 D HN 0.690 nan 8.370 nan 0.000 0.492 487 G N 0.297 109.098 108.800 0.001 0.000 2.550 487 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.233 487 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.233 487 G C 0.581 175.484 174.900 0.005 0.000 1.170 487 G CA 0.863 45.967 45.100 0.007 0.000 0.693 487 G HN 0.572 nan 8.290 nan 0.000 0.512 488 K N 0.214 120.615 120.400 0.003 0.000 2.399 488 K HA 0.786 5.106 4.320 -0.000 0.000 0.247 488 K C -0.228 176.370 176.600 -0.004 0.000 1.036 488 K CA -0.972 55.317 56.287 0.004 0.000 0.977 488 K CB 1.355 33.859 32.500 0.007 0.000 1.272 488 K HN 0.196 nan 8.250 nan 0.000 0.501 489 I N 2.369 122.940 120.570 0.001 0.000 2.337 489 I HA 0.081 4.251 4.170 -0.000 0.000 0.285 489 I C -0.627 175.488 176.117 -0.003 0.000 1.041 489 I CA -0.495 60.796 61.300 -0.013 0.000 1.199 489 I CB 1.506 39.502 38.000 -0.007 0.000 1.370 489 I HN 0.647 nan 8.210 nan 0.000 0.470 490 S N 4.295 119.987 115.700 -0.013 0.000 2.562 490 S HA 0.042 4.512 4.470 -0.000 0.000 0.281 490 S C 1.124 175.727 174.600 0.005 0.000 1.333 490 S CA -0.708 57.490 58.200 -0.003 0.000 1.052 490 S CB 0.891 64.085 63.200 -0.009 0.000 0.884 490 S HN 0.569 nan 8.310 nan 0.000 0.506 491 E N 1.530 121.738 120.200 0.015 0.000 2.197 491 E HA -0.276 4.074 4.350 -0.000 0.000 0.205 491 E C 1.712 178.324 176.600 0.020 0.000 1.029 491 E CA 1.880 58.294 56.400 0.023 0.000 0.828 491 E CB -0.102 29.610 29.700 0.020 0.000 0.737 491 E HN 0.843 nan 8.360 nan 0.000 0.464 492 E N -0.228 119.976 120.200 0.008 0.000 2.060 492 E HA -0.042 4.308 4.350 -0.000 0.000 0.189 492 E C 1.918 178.512 176.600 -0.010 0.000 0.974 492 E CA 0.793 57.195 56.400 0.003 0.000 0.808 492 E CB 0.006 29.706 29.700 0.000 0.000 0.768 492 E HN 0.128 nan 8.360 nan 0.000 0.453 493 S N 0.848 116.532 115.700 -0.027 0.000 2.419 493 S HA -0.150 4.320 4.470 -0.000 0.000 0.233 493 S C 1.469 176.009 174.600 -0.099 0.000 1.016 493 S CA 0.994 59.157 58.200 -0.063 0.000 0.974 493 S CB -0.284 62.873 63.200 -0.072 0.000 0.786 493 S HN 0.346 nan 8.310 nan 0.000 0.492 494 D N 1.529 121.897 120.400 -0.053 0.000 2.087 494 D HA -0.118 4.521 4.640 -0.000 0.000 0.192 494 D C 2.075 178.392 176.300 0.027 0.000 0.993 494 D CA 1.509 55.501 54.000 -0.013 0.000 0.828 494 D CB -0.281 40.575 40.800 0.094 0.000 0.968 494 D HN 0.376 nan 8.370 nan 0.000 0.448 495 A N 0.940 123.784 122.820 0.040 0.000 1.877 495 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 495 A C 2.211 179.801 177.584 0.011 0.000 1.186 495 A CA 1.811 53.876 52.037 0.047 0.000 0.620 495 A CB -0.623 18.401 19.000 0.040 0.000 0.822 495 A HN 0.246 nan 8.150 nan 0.000 0.443 496 K N -0.683 119.706 120.400 -0.019 0.000 2.281 496 K HA -0.073 4.247 4.320 -0.000 0.000 0.203 496 K C 1.737 178.286 176.600 -0.086 0.000 1.046 496 K CA 0.960 57.225 56.287 -0.037 0.000 0.938 496 K CB -0.247 32.236 32.500 -0.029 0.000 0.737 496 K HN 0.530 nan 8.250 nan 0.000 0.458 497 L N 0.321 121.480 121.223 -0.106 0.000 2.084 497 L HA -0.114 4.226 4.340 -0.000 0.000 0.202 497 L C 2.533 179.428 176.870 0.041 0.000 1.074 497 L CA 0.994 55.760 54.840 -0.123 0.000 0.757 497 L CB -0.361 41.427 42.059 -0.451 0.000 0.918 497 L HN 0.109 nan 8.230 nan 0.000 0.444 498 K N 0.389 120.862 120.400 0.122 0.000 2.113 498 K HA -0.287 4.033 4.320 -0.000 0.000 0.208 498 K C 1.925 178.479 176.600 -0.077 0.000 1.047 498 K CA 1.858 58.166 56.287 0.036 0.000 0.928 498 K CB -0.020 32.553 32.500 0.121 0.000 0.716 498 K HN 0.297 nan 8.250 nan 0.000 0.446 499 E N 0.399 120.591 120.200 -0.014 0.000 2.051 499 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 499 E C 1.984 178.598 176.600 0.024 0.000 0.991 499 E CA 1.329 57.728 56.400 -0.001 0.000 0.799 499 E CB -0.027 29.683 29.700 0.017 0.000 0.748 499 E HN 0.406 nan 8.360 nan 0.000 0.449 500 I N 0.086 120.661 120.570 0.008 0.000 2.546 500 I HA -0.165 4.005 4.170 -0.000 0.000 0.255 500 I C 2.258 178.516 176.117 0.234 0.000 1.163 500 I CA 0.272 61.602 61.300 0.050 0.000 1.457 500 I CB -0.007 37.878 38.000 -0.192 0.000 1.092 500 I HN 0.049 nan 8.210 nan 0.000 0.434 501 V N 1.035 121.073 119.914 0.208 0.000 2.331 501 V HA -0.210 3.910 4.120 -0.000 0.000 0.242 501 V C 2.815 178.990 176.094 0.135 0.000 1.034 501 V CA 2.427 64.894 62.300 0.279 0.000 1.027 501 V CB -0.403 31.506 31.823 0.144 0.000 0.667 501 V HN 0.601 nan 8.190 nan 0.000 0.457 502 T N -1.307 113.178 114.554 -0.115 0.000 2.759 502 T HA -0.222 4.128 4.350 -0.000 0.000 0.269 502 T C 1.695 176.420 174.700 0.041 0.000 1.042 502 T CA 1.923 63.959 62.100 -0.107 0.000 1.140 502 T CB -0.443 68.315 68.868 -0.183 0.000 0.864 502 T HN 0.406 nan 8.240 nan 0.000 0.455 503 N N 0.410 119.166 118.700 0.092 0.000 2.173 503 N HA 0.077 4.817 4.740 -0.000 0.000 0.184 503 N C 1.466 177.087 175.510 0.185 0.000 1.025 503 N CA 0.972 54.093 53.050 0.117 0.000 0.852 503 N CB -0.656 37.895 38.487 0.105 0.000 0.998 503 N HN 0.479 nan 8.380 nan 0.000 0.427 504 F N 1.629 121.656 119.950 0.128 0.000 2.216 504 F HA -0.084 4.443 4.527 -0.000 0.000 0.300 504 F C 2.106 178.066 175.800 0.267 0.000 1.085 504 F CA 0.724 58.822 58.000 0.162 0.000 1.326 504 F CB -0.110 39.025 39.000 0.224 0.000 1.027 504 F HN -0.032 nan 8.300 nan 0.000 0.497 505 L N -0.107 121.366 121.223 0.416 0.000 2.217 505 L HA 0.084 4.424 4.340 -0.000 0.000 0.211 505 L C 2.255 179.208 176.870 0.137 0.000 1.107 505 L CA 1.517 56.525 54.840 0.280 0.000 0.783 505 L CB -0.688 41.399 42.059 0.048 0.000 0.919 505 L HN 0.094 nan 8.230 nan 0.000 0.442 506 A N -0.670 122.202 122.820 0.086 0.000 1.970 506 A HA 0.084 4.404 4.320 -0.000 0.000 0.216 506 A C 2.238 179.831 177.584 0.014 0.000 1.170 506 A CA 1.011 53.073 52.037 0.041 0.000 0.645 506 A CB -1.152 17.865 19.000 0.028 0.000 0.816 506 A HN 0.476 nan 8.150 nan 0.000 0.447 507 G N -1.455 107.333 108.800 -0.020 0.000 2.430 507 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.216 507 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.216 507 G C 1.361 176.212 174.900 -0.080 0.000 1.146 507 G CA 0.901 45.954 45.100 -0.079 0.000 0.793 507 G HN 0.414 nan 8.290 nan 0.000 0.537 508 F N 2.344 122.160 119.950 -0.223 0.000 2.031 508 F HA 0.026 4.553 4.527 -0.000 0.000 0.295 508 F C 1.625 177.386 175.800 -0.065 0.000 1.133 508 F CA 1.352 59.263 58.000 -0.149 0.000 1.188 508 F CB -0.166 38.830 39.000 -0.007 0.000 0.974 508 F HN 0.280 nan 8.300 nan 0.000 0.473 509 E N 1.229 121.482 120.200 0.089 0.000 2.044 509 E HA 0.516 4.866 4.350 -0.000 0.000 0.282 509 E C -0.123 176.452 176.600 -0.042 0.000 1.031 509 E CA -0.055 56.328 56.400 -0.028 0.000 0.824 509 E CB 0.716 30.448 29.700 0.053 0.000 1.076 509 E HN 0.517 nan 8.360 nan 0.000 0.395 510 A N 0.000 122.769 122.820 -0.084 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.998 52.037 -0.065 0.000 0.836 510 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486