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 2w6e_1_A 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 SQHQALLSKI 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 0.000 176.302 176.300 0.004 0.000 2.045 24 D CA 0.000 54.002 54.000 0.004 0.000 0.868 24 D CB 0.000 40.798 40.800 -0.003 0.000 0.688 25 L N 2.465 123.690 121.223 0.003 0.000 2.611 25 L HA 0.253 4.592 4.340 -0.001 0.000 0.229 25 L C 1.749 178.597 176.870 -0.036 0.000 1.137 25 L CA 0.170 55.004 54.840 -0.010 0.000 0.901 25 L CB 0.274 42.327 42.059 -0.010 0.000 1.098 25 L HN 0.439 nan 8.230 nan 0.000 0.456 26 E N 0.043 120.226 120.200 -0.028 0.000 2.166 26 E HA -0.061 4.288 4.350 -0.001 0.000 0.192 26 E C 1.254 177.833 176.600 -0.036 0.000 0.967 26 E CA 0.468 56.848 56.400 -0.034 0.000 0.840 26 E CB 0.617 30.302 29.700 -0.025 0.000 0.795 26 E HN 0.335 nan 8.360 nan 0.000 0.470 27 E N 0.117 120.298 120.200 -0.032 0.000 2.526 27 E HA 0.045 4.394 4.350 -0.001 0.000 0.208 27 E C 0.317 176.891 176.600 -0.043 0.000 0.997 27 E CA 0.258 56.636 56.400 -0.036 0.000 0.961 27 E CB 1.498 31.180 29.700 -0.030 0.000 1.030 27 E HN 0.148 nan 8.360 nan 0.000 0.483 28 T N -2.254 112.278 114.554 -0.037 0.000 2.864 28 T HA 0.719 5.069 4.350 -0.001 0.000 0.299 28 T C -0.021 174.661 174.700 -0.029 0.000 1.166 28 T CA -0.552 61.524 62.100 -0.040 0.000 1.007 28 T CB 2.487 71.337 68.868 -0.029 0.000 1.219 28 T HN -0.020 nan 8.240 nan 0.000 0.506 29 G N 0.457 109.240 108.800 -0.029 0.000 2.733 29 G HA2 0.721 4.681 3.960 -0.001 0.000 0.288 29 G HA3 0.721 4.681 3.960 -0.001 0.000 0.288 29 G C -1.565 173.359 174.900 0.040 0.000 1.373 29 G CA -1.135 43.970 45.100 0.008 0.000 0.895 29 G HN 0.834 nan 8.290 nan 0.000 0.479 30 R N -0.539 120.017 120.500 0.094 0.000 2.599 30 R HA 0.516 4.856 4.340 -0.001 0.000 0.295 30 R C -0.722 175.647 176.300 0.114 0.000 0.963 30 R CA -0.722 55.434 56.100 0.093 0.000 0.883 30 R CB 2.556 32.904 30.300 0.079 0.000 1.171 30 R HN 0.329 nan 8.270 nan 0.000 0.450 31 V N 5.080 125.066 119.914 0.120 0.000 2.521 31 V HA -0.002 4.117 4.120 -0.001 0.000 0.286 31 V C 1.360 177.506 176.094 0.087 0.000 1.034 31 V CA 0.298 62.679 62.300 0.135 0.000 1.045 31 V CB 0.664 32.582 31.823 0.159 0.000 0.974 31 V HN 0.737 nan 8.190 nan 0.000 0.480 32 L N 3.607 124.880 121.223 0.085 0.000 2.298 32 L HA 0.178 4.517 4.340 -0.001 0.000 0.209 32 L C 0.869 177.762 176.870 0.038 0.000 1.084 32 L CA 0.818 55.688 54.840 0.050 0.000 0.816 32 L CB 0.147 42.241 42.059 0.058 0.000 0.967 32 L HN 0.873 nan 8.230 nan 0.000 0.460 33 S N -0.910 114.818 115.700 0.047 0.000 2.543 33 S HA 0.593 5.062 4.470 -0.001 0.000 0.274 33 S C -1.221 173.398 174.600 0.031 0.000 1.149 33 S CA -0.819 57.399 58.200 0.030 0.000 0.866 33 S CB 2.321 65.535 63.200 0.024 0.000 1.111 33 S HN -0.009 nan 8.310 nan 0.000 0.457 34 I N 0.901 121.477 120.570 0.010 0.000 2.569 34 I HA 0.903 5.073 4.170 -0.001 0.000 0.290 34 I C -0.301 175.804 176.117 -0.019 0.000 1.088 34 I CA 0.299 61.594 61.300 -0.009 0.000 1.047 34 I CB 1.516 39.493 38.000 -0.037 0.000 1.237 34 I HN 1.358 nan 8.210 nan 0.000 0.421 35 G N 4.354 113.141 108.800 -0.021 0.000 2.616 35 G HA2 0.392 4.352 3.960 -0.001 0.000 0.294 35 G HA3 0.392 4.352 3.960 -0.001 0.000 0.294 35 G C -1.186 173.701 174.900 -0.022 0.000 1.489 35 G CA -0.543 44.544 45.100 -0.022 0.000 0.836 35 G HN 0.623 nan 8.290 nan 0.000 0.527 36 D N -0.380 120.005 120.400 -0.024 0.000 2.737 36 D HA -0.199 4.441 4.640 -0.001 0.000 0.233 36 D C 1.679 177.963 176.300 -0.026 0.000 1.155 36 D CA 2.761 56.746 54.000 -0.025 0.000 0.667 36 D CB -1.114 39.671 40.800 -0.024 0.000 1.060 36 D HN 2.204 nan 8.370 nan 0.000 0.427 37 G N -1.060 107.722 108.800 -0.030 0.000 2.168 37 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.263 37 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.263 37 G C 0.266 175.161 174.900 -0.009 0.000 0.977 37 G CA 0.401 45.484 45.100 -0.028 0.000 0.659 37 G HN 0.498 nan 8.290 nan 0.000 0.533 38 I N 1.059 121.626 120.570 -0.005 0.000 2.354 38 I HA 0.676 4.845 4.170 -0.001 0.000 0.292 38 I C 0.602 176.741 176.117 0.036 0.000 0.989 38 I CA -0.917 60.397 61.300 0.023 0.000 1.188 38 I CB 1.203 39.209 38.000 0.010 0.000 1.342 38 I HN 0.295 nan 8.210 nan 0.000 0.457 39 A N 7.829 130.705 122.820 0.092 0.000 2.317 39 A HA 0.741 5.060 4.320 -0.001 0.000 0.327 39 A C -0.102 177.567 177.584 0.141 0.000 1.178 39 A CA -0.708 51.409 52.037 0.132 0.000 0.817 39 A CB 1.034 20.201 19.000 0.278 0.000 1.189 39 A HN 0.597 nan 8.150 nan 0.000 0.489 40 R N 2.251 122.821 120.500 0.117 0.000 2.312 40 R HA 0.393 4.732 4.340 -0.001 0.000 0.310 40 R C -1.147 175.221 176.300 0.114 0.000 1.064 40 R CA -0.284 55.874 56.100 0.096 0.000 0.983 40 R CB 1.073 31.413 30.300 0.067 0.000 1.139 40 R HN 0.518 nan 8.270 nan 0.000 0.536 41 V N 2.842 122.823 119.914 0.112 0.000 2.509 41 V HA 0.172 4.291 4.120 -0.001 0.000 0.284 41 V C 0.241 176.395 176.094 0.100 0.000 1.047 41 V CA -0.769 61.594 62.300 0.105 0.000 0.952 41 V CB 1.304 33.160 31.823 0.055 0.000 0.988 41 V HN 0.601 nan 8.190 nan 0.000 0.469 42 H N 2.535 121.618 119.070 0.021 0.000 2.488 42 H HA 0.663 5.218 4.556 -0.001 0.000 0.322 42 H C 0.379 175.708 175.328 0.002 0.000 1.078 42 H CA 1.078 57.133 56.048 0.012 0.000 1.260 42 H CB 0.905 30.676 29.762 0.014 0.000 1.425 42 H HN 1.069 nan 8.280 nan 0.000 0.471 43 G N 3.030 111.604 108.800 -0.376 0.000 2.443 43 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.209 43 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.209 43 G C -0.163 174.661 174.900 -0.127 0.000 1.176 43 G CA -0.468 44.502 45.100 -0.217 0.000 1.074 43 G HN 1.153 nan 8.290 nan 0.000 0.577 44 L N -0.476 120.699 121.223 -0.080 0.000 3.717 44 L HA -0.205 4.134 4.340 -0.001 0.000 0.414 44 L C 2.277 179.106 176.870 -0.068 0.000 1.228 44 L CA 0.772 55.570 54.840 -0.070 0.000 0.918 44 L CB -0.768 41.249 42.059 -0.070 0.000 1.865 44 L HN 0.643 nan 8.230 nan 0.000 0.922 45 R N 0.528 120.985 120.500 -0.072 0.000 2.170 45 R HA -0.093 4.246 4.340 -0.001 0.000 0.242 45 R C 1.421 177.694 176.300 -0.045 0.000 1.145 45 R CA 1.454 57.516 56.100 -0.063 0.000 0.984 45 R CB -0.278 29.985 30.300 -0.061 0.000 0.869 45 R HN 0.578 nan 8.270 nan 0.000 0.455 46 N N 0.256 118.931 118.700 -0.041 0.000 2.280 46 N HA -0.013 4.726 4.740 -0.001 0.000 0.192 46 N C 0.099 175.590 175.510 -0.032 0.000 1.109 46 N CA 0.127 53.157 53.050 -0.033 0.000 0.855 46 N CB 0.351 38.820 38.487 -0.030 0.000 0.974 46 N HN 0.006 nan 8.380 nan 0.000 0.482 47 V N 0.193 120.085 119.914 -0.037 0.000 2.872 47 V HA 0.042 4.161 4.120 -0.001 0.000 0.307 47 V C 0.411 176.492 176.094 -0.022 0.000 1.072 47 V CA -0.526 61.754 62.300 -0.034 0.000 1.148 47 V CB 0.184 31.984 31.823 -0.039 0.000 0.954 47 V HN 0.100 nan 8.190 nan 0.000 0.490 48 Q N 2.863 122.653 119.800 -0.018 0.000 2.193 48 Q HA 0.727 5.066 4.340 -0.001 0.000 0.246 48 Q C 0.158 176.158 176.000 0.000 0.000 0.959 48 Q CA -0.519 55.279 55.803 -0.008 0.000 0.904 48 Q CB 1.203 29.936 28.738 -0.007 0.000 1.238 48 Q HN 1.106 nan 8.270 nan 0.000 0.469 49 A N 1.253 124.078 122.820 0.010 0.000 2.540 49 A HA 0.075 4.394 4.320 -0.001 0.000 0.239 49 A C 0.115 177.715 177.584 0.028 0.000 1.061 49 A CA 0.208 52.258 52.037 0.022 0.000 0.758 49 A CB -0.342 18.676 19.000 0.029 0.000 0.991 49 A HN 0.940 nan 8.150 nan 0.000 0.502 50 E N -0.868 119.358 120.200 0.043 0.000 3.286 50 E HA -0.196 4.153 4.350 -0.001 0.000 0.292 50 E C 0.175 176.797 176.600 0.036 0.000 0.928 50 E CA 1.490 57.925 56.400 0.058 0.000 0.982 50 E CB -1.334 28.398 29.700 0.052 0.000 1.500 50 E HN 0.875 nan 8.360 nan 0.000 0.441 51 E N 0.165 120.371 120.200 0.011 0.000 2.366 51 E HA 0.142 4.491 4.350 -0.001 0.000 0.266 51 E C -0.013 176.563 176.600 -0.040 0.000 1.051 51 E CA -0.419 55.971 56.400 -0.017 0.000 0.884 51 E CB 0.558 30.241 29.700 -0.029 0.000 1.006 51 E HN 0.026 nan 8.360 nan 0.000 0.417 52 M N 4.266 123.823 119.600 -0.071 0.000 2.162 52 M HA 0.144 4.623 4.480 -0.001 0.000 0.356 52 M C -0.079 176.137 176.300 -0.140 0.000 1.303 52 M CA -0.214 55.005 55.300 -0.134 0.000 1.116 52 M CB 0.603 33.111 32.600 -0.153 0.000 1.632 52 M HN 0.427 nan 8.290 nan 0.000 0.469 53 V N 1.259 121.067 119.914 -0.177 0.000 3.155 53 V HA 0.726 4.845 4.120 -0.001 0.000 0.313 53 V C -0.846 175.096 176.094 -0.253 0.000 1.162 53 V CA -0.850 61.323 62.300 -0.211 0.000 1.048 53 V CB 2.368 34.045 31.823 -0.243 0.000 1.092 53 V HN 0.887 nan 8.190 nan 0.000 0.447 54 E N 0.315 120.347 120.200 -0.280 0.000 2.256 54 E HA 0.524 4.873 4.350 -0.001 0.000 0.268 54 E C -1.806 174.635 176.600 -0.265 0.000 0.877 54 E CA -0.666 55.612 56.400 -0.203 0.000 0.757 54 E CB 1.897 31.541 29.700 -0.094 0.000 1.183 54 E HN 0.624 nan 8.360 nan 0.000 0.418 55 F N 1.610 121.556 119.950 -0.008 0.000 2.382 55 F HA 0.117 4.644 4.527 -0.001 0.000 0.331 55 F C 1.909 177.711 175.800 0.005 0.000 1.121 55 F CA -0.168 57.834 58.000 0.005 0.000 1.183 55 F CB 1.242 40.251 39.000 0.015 0.000 1.207 55 F HN 0.519 nan 8.300 nan 0.000 0.555 56 S N 0.644 116.450 115.700 0.177 0.000 2.414 56 S HA -0.336 4.134 4.470 -0.001 0.000 0.238 56 S C 2.211 176.870 174.600 0.099 0.000 1.055 56 S CA 2.074 60.335 58.200 0.102 0.000 1.174 56 S CB -1.134 62.119 63.200 0.089 0.000 1.087 56 S HN 0.814 nan 8.310 nan 0.000 0.428 57 S N 1.244 117.009 115.700 0.108 0.000 2.462 57 S HA -0.038 4.431 4.470 -0.001 0.000 0.251 57 S C 1.707 176.353 174.600 0.077 0.000 1.018 57 S CA 1.601 59.847 58.200 0.078 0.000 0.988 57 S CB -1.047 62.190 63.200 0.061 0.000 0.766 57 S HN 1.440 nan 8.310 nan 0.000 0.504 58 G N -0.463 108.398 108.800 0.101 0.000 2.218 58 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.216 58 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.216 58 G C -0.156 174.806 174.900 0.104 0.000 0.994 58 G CA -0.103 45.044 45.100 0.079 0.000 0.637 58 G HN 0.474 nan 8.290 nan 0.000 0.505 59 L N 1.703 123.016 121.223 0.151 0.000 2.456 59 L HA 0.497 4.836 4.340 -0.001 0.000 0.272 59 L C 0.976 178.006 176.870 0.266 0.000 1.189 59 L CA 0.601 55.549 54.840 0.181 0.000 0.846 59 L CB 0.654 42.793 42.059 0.133 0.000 1.111 59 L HN 0.263 nan 8.230 nan 0.000 0.475 60 K N 0.863 121.360 120.400 0.163 0.000 2.109 60 K HA 0.818 5.137 4.320 -0.001 0.000 0.243 60 K C -0.071 176.613 176.600 0.140 0.000 1.006 60 K CA -0.496 55.801 56.287 0.017 0.000 0.917 60 K CB 1.194 33.537 32.500 -0.261 0.000 1.081 60 K HN 0.746 nan 8.250 nan 0.000 0.468 61 G N 0.208 108.985 108.800 -0.038 0.000 2.673 61 G HA2 0.487 4.446 3.960 -0.001 0.000 0.292 61 G HA3 0.487 4.446 3.960 -0.001 0.000 0.292 61 G C -1.892 172.989 174.900 -0.031 0.000 1.450 61 G CA -0.827 44.398 45.100 0.207 0.000 0.837 61 G HN 0.500 nan 8.290 nan 0.000 0.505 62 M N 1.145 120.860 119.600 0.193 0.000 2.321 62 M HA 0.609 5.088 4.480 -0.001 0.000 0.315 62 M C -0.555 175.830 176.300 0.143 0.000 1.052 62 M CA -0.521 54.868 55.300 0.149 0.000 0.936 62 M CB 1.833 34.637 32.600 0.341 0.000 1.639 62 M HN 0.319 nan 8.290 nan 0.000 0.433 63 S N 5.920 121.663 115.700 0.071 0.000 2.423 63 S HA 0.261 4.730 4.470 -0.001 0.000 0.302 63 S C 0.864 175.505 174.600 0.068 0.000 1.143 63 S CA -0.479 57.755 58.200 0.058 0.000 1.080 63 S CB -0.036 63.174 63.200 0.017 0.000 1.081 63 S HN 0.751 nan 8.310 nan 0.000 0.522 64 L N 2.137 123.405 121.223 0.075 0.000 2.463 64 L HA 0.224 4.563 4.340 -0.001 0.000 0.219 64 L C 0.104 177.001 176.870 0.045 0.000 1.088 64 L CA 0.455 55.334 54.840 0.064 0.000 0.849 64 L CB 0.005 42.097 42.059 0.054 0.000 1.012 64 L HN 0.400 nan 8.230 nan 0.000 0.468 65 N N 0.560 119.282 118.700 0.036 0.000 2.483 65 N HA 0.386 5.125 4.740 -0.001 0.000 0.267 65 N C -1.094 174.429 175.510 0.022 0.000 0.998 65 N CA -0.112 52.954 53.050 0.026 0.000 0.918 65 N CB 1.502 40.001 38.487 0.019 0.000 1.215 65 N HN -0.032 nan 8.380 nan 0.000 0.500 66 L N 1.996 123.230 121.223 0.018 0.000 2.272 66 L HA 0.439 4.779 4.340 -0.001 0.000 0.284 66 L C 0.339 177.212 176.870 0.006 0.000 1.045 66 L CA -0.365 54.479 54.840 0.008 0.000 0.842 66 L CB 0.777 42.839 42.059 0.005 0.000 1.224 66 L HN 0.369 nan 8.230 nan 0.000 0.430 67 E N 3.492 123.694 120.200 0.004 0.000 2.232 67 E HA 0.308 4.658 4.350 -0.001 0.000 0.264 67 E C -1.594 175.003 176.600 -0.004 0.000 0.973 67 E CA -1.752 54.650 56.400 0.003 0.000 0.849 67 E CB 1.727 31.433 29.700 0.009 0.000 1.198 67 E HN 0.271 nan 8.360 nan 0.000 0.407 68 P HA -0.208 nan 4.420 nan 0.000 0.215 68 P C 0.447 177.740 177.300 -0.012 0.000 1.163 68 P CA 1.509 64.606 63.100 -0.006 0.000 0.894 68 P CB 0.107 31.808 31.700 0.001 0.000 0.791 69 D N -1.865 118.536 120.400 0.001 0.000 2.368 69 D HA 0.060 4.699 4.640 -0.001 0.000 0.218 69 D C 0.030 176.336 176.300 0.011 0.000 1.112 69 D CA -0.168 53.837 54.000 0.009 0.000 0.834 69 D CB -0.676 40.148 40.800 0.039 0.000 0.953 69 D HN 0.366 nan 8.370 nan 0.000 0.505 70 N N -1.835 116.863 118.700 -0.003 0.000 3.533 70 N HA 0.226 4.965 4.740 -0.001 0.000 0.229 70 N C -2.047 173.466 175.510 0.005 0.000 1.418 70 N CA -0.950 52.105 53.050 0.008 0.000 0.880 70 N CB 1.144 39.660 38.487 0.049 0.000 1.415 70 N HN -0.207 nan 8.380 nan 0.000 0.491 71 V N -0.040 119.883 119.914 0.014 0.000 2.378 71 V HA 0.768 4.887 4.120 -0.001 0.000 0.288 71 V C 0.657 176.778 176.094 0.045 0.000 1.016 71 V CA -0.510 61.800 62.300 0.018 0.000 0.840 71 V CB 1.035 32.859 31.823 0.001 0.000 0.994 71 V HN 0.891 nan 8.190 nan 0.000 0.431 72 G N 4.070 112.897 108.800 0.044 0.000 2.391 72 G HA2 0.483 4.442 3.960 -0.001 0.000 0.305 72 G HA3 0.483 4.442 3.960 -0.001 0.000 0.305 72 G C -0.508 174.440 174.900 0.081 0.000 1.072 72 G CA -0.152 44.983 45.100 0.058 0.000 1.016 72 G HN 0.518 nan 8.290 nan 0.000 0.418 73 V N 3.359 123.350 119.914 0.128 0.000 2.472 73 V HA 0.199 4.319 4.120 -0.001 0.000 0.290 73 V C 0.280 176.500 176.094 0.210 0.000 1.037 73 V CA -0.674 61.735 62.300 0.183 0.000 0.908 73 V CB 1.947 33.922 31.823 0.255 0.000 0.985 73 V HN 0.428 nan 8.190 nan 0.000 0.454 74 V N 6.268 126.314 119.914 0.220 0.000 2.356 74 V HA 0.150 4.270 4.120 -0.001 0.000 0.258 74 V C 0.216 176.515 176.094 0.342 0.000 1.065 74 V CA -0.190 62.238 62.300 0.214 0.000 0.935 74 V CB 1.352 33.287 31.823 0.187 0.000 1.061 74 V HN 0.643 nan 8.190 nan 0.000 0.484 75 V N 6.709 126.764 119.914 0.235 0.000 2.521 75 V HA 0.124 4.243 4.120 -0.001 0.000 0.286 75 V C 0.427 176.703 176.094 0.302 0.000 1.034 75 V CA 0.012 62.455 62.300 0.238 0.000 1.045 75 V CB 0.380 32.174 31.823 -0.047 0.000 0.974 75 V HN 0.669 nan 8.190 nan 0.000 0.480 76 F N 4.872 124.878 119.950 0.093 0.000 2.733 76 F HA 0.588 5.114 4.527 -0.002 0.000 0.344 76 F C 1.069 176.897 175.800 0.047 0.000 1.179 76 F CA 0.298 58.346 58.000 0.080 0.000 1.316 76 F CB -0.127 38.934 39.000 0.102 0.000 1.577 76 F HN 0.732 nan 8.300 nan 0.000 0.591 77 G N 0.326 109.202 108.800 0.127 0.000 2.351 77 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.279 77 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.279 77 G C -1.475 173.433 174.900 0.013 0.000 1.297 77 G CA -1.211 43.930 45.100 0.068 0.000 0.886 77 G HN 0.063 nan 8.290 nan 0.000 0.493 78 N N 1.552 120.253 118.700 0.000 0.000 2.452 78 N HA 0.166 4.906 4.740 -0.001 0.000 0.266 78 N C 0.675 176.154 175.510 -0.052 0.000 1.175 78 N CA 0.232 53.270 53.050 -0.020 0.000 0.945 78 N CB 0.795 39.276 38.487 -0.011 0.000 1.063 78 N HN 0.506 nan 8.380 nan 0.000 0.472 79 D N 2.791 123.153 120.400 -0.065 0.000 2.400 79 D HA -0.078 4.562 4.640 -0.001 0.000 0.243 79 D C 0.929 177.181 176.300 -0.079 0.000 1.184 79 D CA 0.043 53.981 54.000 -0.103 0.000 0.853 79 D CB 0.165 40.901 40.800 -0.107 0.000 0.944 79 D HN 0.660 nan 8.370 nan 0.000 0.501 80 K N 1.060 121.427 120.400 -0.055 0.000 2.262 80 K HA -0.024 4.295 4.320 -0.001 0.000 0.200 80 K C 1.492 178.068 176.600 -0.039 0.000 1.049 80 K CA 0.043 56.307 56.287 -0.038 0.000 0.979 80 K CB -0.031 32.456 32.500 -0.023 0.000 0.773 80 K HN 0.163 nan 8.250 nan 0.000 0.474 81 L N 1.968 123.162 121.223 -0.049 0.000 2.660 81 L HA 0.288 4.627 4.340 -0.001 0.000 0.238 81 L C 0.226 177.060 176.870 -0.061 0.000 1.161 81 L CA 0.030 54.846 54.840 -0.040 0.000 0.937 81 L CB -0.211 41.834 42.059 -0.025 0.000 1.122 81 L HN 0.115 nan 8.230 nan 0.000 0.435 82 I N -0.236 120.278 120.570 -0.094 0.000 2.533 82 I HA 0.348 4.518 4.170 -0.001 0.000 0.290 82 I C -0.346 175.740 176.117 -0.052 0.000 1.056 82 I CA -0.520 60.715 61.300 -0.109 0.000 1.057 82 I CB 2.180 39.999 38.000 -0.302 0.000 1.240 82 I HN -0.007 nan 8.210 nan 0.000 0.423 83 K N 3.618 124.015 120.400 -0.005 0.000 2.395 83 K HA 0.387 4.707 4.320 -0.001 0.000 0.245 83 K C -0.739 175.878 176.600 0.027 0.000 1.017 83 K CA -0.981 55.309 56.287 0.005 0.000 0.852 83 K CB 2.311 34.816 32.500 0.008 0.000 1.311 83 K HN 0.545 nan 8.250 nan 0.000 0.452 84 E N 0.102 120.314 120.200 0.020 0.000 2.442 84 E HA -0.046 4.303 4.350 -0.001 0.000 0.262 84 E C 0.569 177.189 176.600 0.034 0.000 1.004 84 E CA 1.452 57.869 56.400 0.028 0.000 0.928 84 E CB 0.200 29.909 29.700 0.015 0.000 0.937 84 E HN 0.748 nan 8.360 nan 0.000 0.446 85 G N 4.012 112.838 108.800 0.044 0.000 2.284 85 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.247 85 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.247 85 G C -0.021 174.916 174.900 0.061 0.000 1.012 85 G CA 0.223 45.348 45.100 0.041 0.000 0.618 85 G HN 0.685 nan 8.290 nan 0.000 0.521 86 D N 0.688 121.137 120.400 0.081 0.000 2.548 86 D HA 0.300 4.939 4.640 -0.001 0.000 0.231 86 D C 0.807 177.174 176.300 0.112 0.000 1.142 86 D CA 0.338 54.403 54.000 0.107 0.000 0.866 86 D CB 0.424 41.316 40.800 0.153 0.000 1.190 86 D HN 0.310 nan 8.370 nan 0.000 0.469 87 I N 1.921 122.541 120.570 0.083 0.000 2.395 87 I HA 0.096 4.265 4.170 -0.001 0.000 0.289 87 I C -0.081 176.044 176.117 0.013 0.000 1.023 87 I CA -0.292 61.036 61.300 0.046 0.000 1.350 87 I CB 1.208 39.223 38.000 0.025 0.000 1.409 87 I HN 0.007 nan 8.210 nan 0.000 0.507 88 V N 6.752 126.636 119.914 -0.050 0.000 2.513 88 V HA 0.516 4.636 4.120 -0.001 0.000 0.299 88 V C -0.112 175.889 176.094 -0.156 0.000 1.035 88 V CA -0.945 61.233 62.300 -0.203 0.000 0.889 88 V CB 1.465 33.078 31.823 -0.352 0.000 0.988 88 V HN 0.627 nan 8.190 nan 0.000 0.440 89 K N 3.406 123.705 120.400 -0.169 0.000 2.328 89 K HA 0.693 5.012 4.320 -0.001 0.000 0.246 89 K C -0.630 175.891 176.600 -0.132 0.000 0.955 89 K CA -0.954 55.264 56.287 -0.115 0.000 0.817 89 K CB 2.354 34.807 32.500 -0.077 0.000 1.208 89 K HN 0.516 nan 8.250 nan 0.000 0.432 90 R N 0.147 120.589 120.500 -0.098 0.000 2.615 90 R HA 0.113 4.452 4.340 -0.001 0.000 0.270 90 R C 1.004 177.256 176.300 -0.080 0.000 1.081 90 R CA -0.033 56.012 56.100 -0.092 0.000 1.154 90 R CB 0.592 30.851 30.300 -0.068 0.000 1.063 90 R HN 0.894 nan 8.270 nan 0.000 0.519 91 T N -2.704 111.803 114.554 -0.078 0.000 3.000 91 T HA 0.165 4.514 4.350 -0.001 0.000 0.248 91 T C 1.444 176.115 174.700 -0.049 0.000 1.034 91 T CA 0.502 62.564 62.100 -0.065 0.000 1.060 91 T CB 0.413 69.238 68.868 -0.072 0.000 0.983 91 T HN 0.805 nan 8.240 nan 0.000 0.482 92 G N 1.822 110.593 108.800 -0.049 0.000 2.304 92 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.252 92 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.252 92 G C 0.409 175.289 174.900 -0.033 0.000 1.014 92 G CA 0.069 45.147 45.100 -0.037 0.000 0.619 92 G HN 1.335 nan 8.290 nan 0.000 0.525 93 A N 0.822 123.620 122.820 -0.037 0.000 2.327 93 A HA 0.726 5.045 4.320 -0.001 0.000 0.283 93 A C 0.552 178.115 177.584 -0.034 0.000 1.127 93 A CA 0.115 52.133 52.037 -0.033 0.000 0.810 93 A CB 0.546 19.525 19.000 -0.035 0.000 1.066 93 A HN 1.467 nan 8.150 nan 0.000 0.492 94 I N 2.091 122.646 120.570 -0.024 0.000 2.783 94 I HA 0.475 4.644 4.170 -0.001 0.000 0.312 94 I C -0.293 175.814 176.117 -0.018 0.000 0.988 94 I CA -0.666 60.623 61.300 -0.020 0.000 1.182 94 I CB 1.614 39.606 38.000 -0.013 0.000 1.368 94 I HN 0.358 nan 8.210 nan 0.000 0.511 95 V N 5.710 125.618 119.914 -0.009 0.000 2.475 95 V HA 0.029 4.148 4.120 -0.001 0.000 0.292 95 V C 0.008 176.106 176.094 0.005 0.000 1.003 95 V CA 0.193 62.495 62.300 0.003 0.000 1.120 95 V CB -0.715 31.130 31.823 0.037 0.000 0.937 95 V HN 0.816 nan 8.190 nan 0.000 0.476 96 D N 4.634 125.037 120.400 0.006 0.000 2.523 96 D HA 0.722 5.361 4.640 -0.001 0.000 0.236 96 D C -0.570 175.738 176.300 0.013 0.000 1.094 96 D CA -0.571 53.434 54.000 0.008 0.000 0.942 96 D CB 2.430 43.230 40.800 0.000 0.000 1.447 96 D HN 0.454 nan 8.370 nan 0.000 0.479 97 V N -4.700 115.221 119.914 0.012 0.000 3.130 97 V HA 0.701 4.821 4.120 -0.001 0.000 0.310 97 V C -2.914 173.175 176.094 -0.009 0.000 1.158 97 V CA -2.289 60.017 62.300 0.010 0.000 1.029 97 V CB 1.622 33.459 31.823 0.024 0.000 1.057 97 V HN 0.497 nan 8.190 nan 0.000 0.436 98 P HA 0.349 nan 4.420 nan 0.000 0.270 98 P C -0.609 176.643 177.300 -0.080 0.000 1.227 98 P CA 0.202 63.273 63.100 -0.048 0.000 0.788 98 P CB 0.958 32.631 31.700 -0.045 0.000 0.926 99 V N -0.629 119.193 119.914 -0.153 0.000 3.264 99 V HA 0.698 4.818 4.120 -0.001 0.000 0.294 99 V C -0.118 175.627 176.094 -0.581 0.000 1.429 99 V CA 0.473 62.609 62.300 -0.274 0.000 1.053 99 V CB 1.681 33.402 31.823 -0.170 0.000 1.128 99 V HN 1.077 nan 8.190 nan 0.000 0.452 100 G N 2.192 110.309 108.800 -1.137 0.000 2.592 100 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.684 100 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.684 100 G C 0.188 174.556 174.900 -0.887 0.000 1.291 100 G CA 0.151 44.094 45.100 -1.928 0.000 0.891 100 G HN 0.870 nan 8.290 nan 0.000 0.544 101 E N 0.586 120.424 120.200 -0.603 0.000 2.273 101 E HA -0.193 4.156 4.350 -0.001 0.000 0.198 101 E C 2.115 178.670 176.600 -0.075 0.000 1.002 101 E CA 1.627 57.935 56.400 -0.155 0.000 0.828 101 E CB -0.080 29.596 29.700 -0.040 0.000 0.747 101 E HN 0.745 nan 8.360 nan 0.000 0.491 102 E N 1.080 121.207 120.200 -0.122 0.000 2.274 102 E HA -0.099 4.250 4.350 -0.001 0.000 0.194 102 E C 2.156 178.736 176.600 -0.034 0.000 0.996 102 E CA 0.410 56.775 56.400 -0.058 0.000 0.840 102 E CB -0.322 29.341 29.700 -0.063 0.000 0.772 102 E HN 0.349 nan 8.360 nan 0.000 0.491 103 L N 0.946 122.140 121.223 -0.047 0.000 2.362 103 L HA 0.034 4.374 4.340 -0.001 0.000 0.219 103 L C 1.347 178.241 176.870 0.040 0.000 1.134 103 L CA 0.262 55.099 54.840 -0.005 0.000 0.807 103 L CB -0.635 41.420 42.059 -0.008 0.000 0.927 103 L HN 0.069 nan 8.230 nan 0.000 0.447 104 L N 0.561 121.827 121.223 0.072 0.000 2.573 104 L HA -0.025 4.314 4.340 -0.001 0.000 0.290 104 L C 1.446 178.349 176.870 0.056 0.000 1.247 104 L CA 0.779 55.678 54.840 0.099 0.000 0.876 104 L CB -0.322 41.825 42.059 0.147 0.000 1.123 104 L HN 0.393 nan 8.230 nan 0.000 0.505 105 G N 1.539 110.359 108.800 0.034 0.000 2.203 105 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.263 105 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.263 105 G C 0.200 175.102 174.900 0.003 0.000 1.012 105 G CA -0.060 45.041 45.100 0.001 0.000 0.749 105 G HN 0.478 nan 8.290 nan 0.000 0.512 106 R N -1.216 119.292 120.500 0.013 0.000 2.832 106 R HA 0.724 5.063 4.340 -0.001 0.000 0.271 106 R C -0.366 175.943 176.300 0.016 0.000 0.996 106 R CA -1.001 55.106 56.100 0.012 0.000 0.977 106 R CB 1.857 32.166 30.300 0.014 0.000 1.168 106 R HN 0.243 nan 8.270 nan 0.000 0.482 107 V N 2.423 122.345 119.914 0.015 0.000 2.326 107 V HA 0.353 4.473 4.120 -0.001 0.000 0.281 107 V C -0.035 176.075 176.094 0.026 0.000 1.015 107 V CA -0.821 61.492 62.300 0.022 0.000 0.823 107 V CB 1.349 33.182 31.823 0.016 0.000 1.009 107 V HN 0.542 nan 8.190 nan 0.000 0.436 108 V N 1.157 121.091 119.914 0.033 0.000 2.815 108 V HA 0.789 4.908 4.120 -0.001 0.000 0.314 108 V C -0.046 176.072 176.094 0.040 0.000 1.064 108 V CA -0.824 61.496 62.300 0.033 0.000 0.952 108 V CB 1.971 33.812 31.823 0.031 0.000 1.020 108 V HN 0.753 nan 8.190 nan 0.000 0.439 109 D N 3.061 123.486 120.400 0.041 0.000 2.398 109 D HA 0.376 5.015 4.640 -0.001 0.000 0.264 109 D C 1.250 177.580 176.300 0.050 0.000 1.263 109 D CA 0.119 54.147 54.000 0.046 0.000 1.037 109 D CB 0.819 41.649 40.800 0.051 0.000 1.101 109 D HN 0.772 nan 8.370 nan 0.000 0.551 110 A N -0.867 121.985 122.820 0.053 0.000 2.121 110 A HA -0.008 4.311 4.320 -0.001 0.000 0.218 110 A C 2.145 179.774 177.584 0.075 0.000 1.154 110 A CA 0.728 52.797 52.037 0.054 0.000 0.679 110 A CB -0.728 18.298 19.000 0.042 0.000 0.795 110 A HN 0.519 nan 8.150 nan 0.000 0.458 111 L N -1.510 119.766 121.223 0.088 0.000 2.628 111 L HA 0.246 4.585 4.340 -0.001 0.000 0.229 111 L C 1.596 178.500 176.870 0.058 0.000 1.137 111 L CA 0.488 55.383 54.840 0.091 0.000 0.909 111 L CB -0.054 42.079 42.059 0.122 0.000 1.137 111 L HN 0.545 nan 8.230 nan 0.000 0.470 112 G N -0.265 108.563 108.800 0.047 0.000 2.176 112 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.253 112 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.253 112 G C 0.226 175.141 174.900 0.025 0.000 0.979 112 G CA -0.304 44.813 45.100 0.030 0.000 0.641 112 G HN 0.381 nan 8.290 nan 0.000 0.530 113 N N 1.171 119.891 118.700 0.034 0.000 2.518 113 N HA 0.477 5.217 4.740 -0.001 0.000 0.266 113 N C 0.606 176.132 175.510 0.026 0.000 1.196 113 N CA 0.739 53.806 53.050 0.029 0.000 0.947 113 N CB 1.165 39.674 38.487 0.038 0.000 1.098 113 N HN 0.697 nan 8.380 nan 0.000 0.450 114 A N 2.068 124.899 122.820 0.019 0.000 2.409 114 A HA 0.282 4.601 4.320 -0.001 0.000 0.262 114 A C 1.277 178.872 177.584 0.019 0.000 1.113 114 A CA -0.344 51.703 52.037 0.017 0.000 0.790 114 A CB -0.389 18.617 19.000 0.011 0.000 1.046 114 A HN 0.807 nan 8.150 nan 0.000 0.496 115 I N -0.511 120.071 120.570 0.020 0.000 4.147 115 I HA 0.245 4.414 4.170 -0.001 0.000 0.329 115 I C 0.377 176.503 176.117 0.015 0.000 1.424 115 I CA -0.001 61.311 61.300 0.020 0.000 1.127 115 I CB 0.458 38.473 38.000 0.025 0.000 1.128 115 I HN 0.455 nan 8.210 nan 0.000 0.417 116 D N 1.275 121.681 120.400 0.011 0.000 2.328 116 D HA 0.115 4.754 4.640 -0.001 0.000 0.221 116 D C 1.640 177.942 176.300 0.004 0.000 1.072 116 D CA 0.363 54.366 54.000 0.006 0.000 0.850 116 D CB -0.117 40.685 40.800 0.003 0.000 0.922 116 D HN 0.409 nan 8.370 nan 0.000 0.516 117 G N 1.123 109.927 108.800 0.007 0.000 2.296 117 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.282 117 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.282 117 G C 0.745 175.647 174.900 0.004 0.000 1.014 117 G CA 0.594 45.697 45.100 0.006 0.000 0.812 117 G HN 0.477 nan 8.290 nan 0.000 0.508 118 K N 0.087 120.489 120.400 0.003 0.000 2.446 118 K HA 0.447 4.766 4.320 -0.001 0.000 0.203 118 K C 1.280 177.881 176.600 0.002 0.000 1.027 118 K CA 0.405 56.693 56.287 0.002 0.000 1.166 118 K CB 0.175 32.675 32.500 0.001 0.000 0.869 118 K HN 1.362 nan 8.250 nan 0.000 0.504 119 G N 2.632 111.434 108.800 0.003 0.000 2.662 119 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.686 119 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.686 119 G C -2.924 171.977 174.900 0.002 0.000 1.271 119 G CA -1.298 43.804 45.100 0.003 0.000 0.816 119 G HN -0.033 nan 8.290 nan 0.000 0.608 120 P HA 0.365 nan 4.420 nan 0.000 0.269 120 P C 0.712 178.009 177.300 -0.005 0.000 1.209 120 P CA -0.243 62.857 63.100 -0.001 0.000 0.776 120 P CB 0.473 32.172 31.700 -0.002 0.000 0.876 121 I N -0.926 119.640 120.570 -0.007 0.000 2.416 121 I HA 0.271 4.440 4.170 -0.001 0.000 0.288 121 I C 0.890 176.994 176.117 -0.022 0.000 1.051 121 I CA -0.298 60.993 61.300 -0.015 0.000 1.375 121 I CB 0.082 38.072 38.000 -0.018 0.000 1.407 121 I HN 0.408 nan 8.210 nan 0.000 0.516 122 G N 5.387 114.172 108.800 -0.025 0.000 3.455 122 G HA2 0.169 4.128 3.960 -0.001 0.000 0.250 122 G HA3 0.169 4.128 3.960 -0.001 0.000 0.250 122 G C 0.478 175.351 174.900 -0.044 0.000 1.071 122 G CA -0.360 44.723 45.100 -0.028 0.000 1.812 122 G HN 0.848 nan 8.290 nan 0.000 0.643 123 S N -0.438 115.231 115.700 -0.052 0.000 2.481 123 S HA 0.320 4.789 4.470 -0.001 0.000 0.276 123 S C 0.982 175.545 174.600 -0.062 0.000 1.247 123 S CA -0.610 57.545 58.200 -0.075 0.000 1.053 123 S CB 2.316 65.468 63.200 -0.081 0.000 0.925 123 S HN 0.376 nan 8.310 nan 0.000 0.491 124 K N 2.651 123.009 120.400 -0.070 0.000 1.991 124 K HA 0.236 4.555 4.320 -0.001 0.000 0.208 124 K C 1.066 177.641 176.600 -0.043 0.000 1.038 124 K CA 0.987 57.246 56.287 -0.045 0.000 0.943 124 K CB -0.312 32.167 32.500 -0.035 0.000 0.736 124 K HN 0.804 nan 8.250 nan 0.000 0.440 125 A N 1.660 124.447 122.820 -0.055 0.000 2.371 125 A HA 0.268 4.587 4.320 -0.001 0.000 0.257 125 A C -0.502 177.052 177.584 -0.050 0.000 1.089 125 A CA -0.037 51.980 52.037 -0.033 0.000 0.794 125 A CB 0.284 19.285 19.000 0.002 0.000 1.029 125 A HN 0.228 nan 8.150 nan 0.000 0.488 126 R N 1.102 121.589 120.500 -0.023 0.000 2.513 126 R HA 0.459 4.798 4.340 -0.001 0.000 0.301 126 R C -0.473 175.825 176.300 -0.004 0.000 0.968 126 R CA -0.594 55.493 56.100 -0.021 0.000 0.872 126 R CB 2.363 32.654 30.300 -0.016 0.000 1.177 126 R HN 0.869 nan 8.270 nan 0.000 0.444 127 R N 1.526 122.027 120.500 0.001 0.000 2.787 127 R HA 0.397 4.737 4.340 -0.001 0.000 0.271 127 R C -0.477 175.831 176.300 0.014 0.000 0.993 127 R CA -0.739 55.370 56.100 0.016 0.000 0.993 127 R CB 1.472 31.791 30.300 0.031 0.000 1.155 127 R HN 0.443 nan 8.270 nan 0.000 0.486 128 R N 1.579 122.087 120.500 0.014 0.000 2.390 128 R HA 0.064 4.403 4.340 -0.001 0.000 0.291 128 R C 1.468 177.776 176.300 0.013 0.000 1.070 128 R CA -0.095 56.009 56.100 0.008 0.000 1.014 128 R CB 1.288 31.588 30.300 0.000 0.000 1.007 128 R HN 0.632 nan 8.270 nan 0.000 0.466 129 V N 1.327 121.248 119.914 0.012 0.000 2.295 129 V HA -0.001 4.118 4.120 -0.001 0.000 0.246 129 V C 0.947 177.042 176.094 0.000 0.000 1.049 129 V CA 1.531 63.848 62.300 0.027 0.000 1.024 129 V CB -0.581 31.262 31.823 0.032 0.000 0.648 129 V HN 0.744 nan 8.190 nan 0.000 0.447 130 G N 1.058 109.812 108.800 -0.077 0.000 2.428 130 G HA2 0.639 4.598 3.960 -0.001 0.000 0.320 130 G HA3 0.639 4.598 3.960 -0.001 0.000 0.320 130 G C -0.904 173.956 174.900 -0.066 0.000 1.098 130 G CA -0.423 44.593 45.100 -0.140 0.000 0.984 130 G HN 0.383 nan 8.290 nan 0.000 0.444 131 L N 0.982 122.190 121.223 -0.025 0.000 2.301 131 L HA 0.563 4.902 4.340 -0.001 0.000 0.264 131 L C 0.347 177.213 176.870 -0.006 0.000 1.016 131 L CA -1.208 53.625 54.840 -0.011 0.000 0.821 131 L CB 2.433 44.495 42.059 0.005 0.000 1.346 131 L HN 0.335 nan 8.230 nan 0.000 0.429 132 K N 0.770 121.169 120.400 -0.001 0.000 2.237 132 K HA 0.533 4.852 4.320 -0.001 0.000 0.270 132 K C -0.175 176.426 176.600 0.001 0.000 1.015 132 K CA -0.275 56.016 56.287 0.005 0.000 0.949 132 K CB 1.245 33.752 32.500 0.011 0.000 0.976 132 K HN 0.645 nan 8.250 nan 0.000 0.472 133 A N 4.425 127.247 122.820 0.005 0.000 2.448 133 A HA 0.233 4.552 4.320 -0.001 0.000 0.239 133 A C -2.123 175.441 177.584 -0.033 0.000 1.080 133 A CA -1.044 50.989 52.037 -0.007 0.000 0.779 133 A CB -0.530 18.471 19.000 0.001 0.000 1.026 133 A HN 0.620 nan 8.150 nan 0.000 0.499 134 P HA 0.167 nan 4.420 nan 0.000 0.268 134 P C 0.651 177.894 177.300 -0.095 0.000 1.204 134 P CA 0.502 63.529 63.100 -0.121 0.000 0.768 134 P CB 0.297 31.892 31.700 -0.175 0.000 0.842 135 G N 1.934 110.675 108.800 -0.098 0.000 2.527 135 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.279 135 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.279 135 G C 0.984 175.850 174.900 -0.056 0.000 1.374 135 G CA -0.536 44.530 45.100 -0.057 0.000 1.053 135 G HN 0.586 nan 8.290 nan 0.000 0.539 136 I N -0.900 119.653 120.570 -0.028 0.000 2.500 136 I HA -0.055 4.114 4.170 -0.001 0.000 0.252 136 I C 2.043 178.153 176.117 -0.012 0.000 1.142 136 I CA 0.543 61.835 61.300 -0.014 0.000 1.451 136 I CB 0.021 38.022 38.000 0.001 0.000 1.093 136 I HN 0.214 nan 8.210 nan 0.000 0.430 137 I N 2.071 122.636 120.570 -0.008 0.000 2.333 137 I HA -0.050 4.120 4.170 -0.001 0.000 0.246 137 I C -0.417 175.714 176.117 0.024 0.000 1.106 137 I CA 1.087 62.400 61.300 0.022 0.000 1.411 137 I CB -2.908 35.123 38.000 0.052 0.000 1.082 137 I HN 0.202 nan 8.210 nan 0.000 0.420 138 P HA -0.032 nan 4.420 nan 0.000 0.244 138 P C 0.337 177.562 177.300 -0.125 0.000 1.211 138 P CA 0.829 63.788 63.100 -0.236 0.000 0.760 138 P CB 0.033 31.200 31.700 -0.888 0.000 0.961 139 R N -0.306 120.167 120.500 -0.044 0.000 2.981 139 R HA 0.818 5.157 4.340 -0.001 0.000 0.228 139 R C -0.308 176.006 176.300 0.024 0.000 1.421 139 R CA -1.071 55.020 56.100 -0.015 0.000 1.073 139 R CB 1.045 31.329 30.300 -0.027 0.000 1.568 139 R HN -0.099 nan 8.270 nan 0.000 0.514 140 I N -2.055 118.529 120.570 0.023 0.000 2.882 140 I HA 0.211 4.380 4.170 -0.001 0.000 0.298 140 I C -0.986 175.143 176.117 0.021 0.000 1.462 140 I CA -0.330 60.986 61.300 0.028 0.000 1.000 140 I CB 2.512 40.535 38.000 0.039 0.000 1.340 140 I HN 0.474 nan 8.210 nan 0.000 0.462 141 S N 2.710 118.421 115.700 0.017 0.000 2.599 141 S HA 0.123 4.593 4.470 -0.001 0.000 0.303 141 S C -0.090 174.517 174.600 0.011 0.000 1.267 141 S CA -0.265 57.942 58.200 0.012 0.000 1.055 141 S CB 0.203 63.409 63.200 0.010 0.000 0.790 141 S HN 0.487 nan 8.310 nan 0.000 0.500 142 V N 5.283 125.201 119.914 0.007 0.000 2.485 142 V HA 0.085 4.204 4.120 -0.001 0.000 0.287 142 V C 1.148 177.239 176.094 -0.006 0.000 1.022 142 V CA 0.898 63.199 62.300 0.002 0.000 1.067 142 V CB 0.564 32.385 31.823 -0.003 0.000 0.967 142 V HN 0.832 nan 8.190 nan 0.000 0.479 143 R N 2.138 122.632 120.500 -0.011 0.000 2.576 143 R HA 0.219 4.558 4.340 -0.001 0.000 0.237 143 R C 0.081 176.355 176.300 -0.043 0.000 0.917 143 R CA -0.194 55.894 56.100 -0.020 0.000 1.002 143 R CB 0.736 31.029 30.300 -0.010 0.000 1.428 143 R HN 0.684 nan 8.270 nan 0.000 0.603 144 E N 2.586 122.748 120.200 -0.062 0.000 2.229 144 E HA 0.182 4.531 4.350 -0.001 0.000 0.283 144 E C -2.474 174.048 176.600 -0.130 0.000 1.030 144 E CA -2.287 54.044 56.400 -0.114 0.000 0.836 144 E CB 0.861 30.454 29.700 -0.177 0.000 1.068 144 E HN -0.108 nan 8.360 nan 0.000 0.401 145 P HA -0.063 nan 4.420 nan 0.000 0.267 145 P C -0.648 176.540 177.300 -0.187 0.000 1.200 145 P CA 0.201 63.222 63.100 -0.132 0.000 0.772 145 P CB 0.452 32.079 31.700 -0.122 0.000 0.855 146 M N 3.295 122.808 119.600 -0.145 0.000 2.018 146 M HA 0.170 4.649 4.480 -0.001 0.000 0.311 146 M C -0.728 175.506 176.300 -0.110 0.000 0.928 146 M CA -0.293 54.915 55.300 -0.153 0.000 0.911 146 M CB 0.674 33.209 32.600 -0.108 0.000 1.447 146 M HN 0.356 nan 8.290 nan 0.000 0.407 147 Q N 2.110 121.837 119.800 -0.121 0.000 2.243 147 Q HA 0.340 4.680 4.340 -0.001 0.000 0.252 147 Q C 0.956 176.968 176.000 0.019 0.000 0.909 147 Q CA -0.191 55.597 55.803 -0.026 0.000 0.922 147 Q CB 1.420 30.174 28.738 0.028 0.000 1.215 147 Q HN 0.761 nan 8.270 nan 0.000 0.427 148 T N -1.972 112.592 114.554 0.018 0.000 3.010 148 T HA 0.200 4.549 4.350 -0.001 0.000 0.252 148 T C 1.244 175.965 174.700 0.035 0.000 1.047 148 T CA 0.674 62.787 62.100 0.022 0.000 1.140 148 T CB 0.106 68.976 68.868 0.003 0.000 0.885 148 T HN 0.913 nan 8.240 nan 0.000 0.464 149 G N 1.349 110.170 108.800 0.035 0.000 2.179 149 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.220 149 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.220 149 G C -0.044 174.864 174.900 0.013 0.000 0.990 149 G CA -0.149 44.968 45.100 0.028 0.000 0.646 149 G HN 0.631 nan 8.290 nan 0.000 0.517 150 I N 2.482 123.057 120.570 0.009 0.000 2.304 150 I HA 0.241 4.410 4.170 -0.001 0.000 0.291 150 I C 1.784 177.906 176.117 0.008 0.000 1.018 150 I CA -0.715 60.587 61.300 0.003 0.000 1.260 150 I CB 1.290 39.287 38.000 -0.005 0.000 1.390 150 I HN 0.173 nan 8.210 nan 0.000 0.475 151 K N 5.715 126.121 120.400 0.011 0.000 2.009 151 K HA -0.211 4.108 4.320 -0.001 0.000 0.210 151 K C 1.897 178.505 176.600 0.013 0.000 1.049 151 K CA 1.610 57.906 56.287 0.015 0.000 0.929 151 K CB -0.585 31.927 32.500 0.019 0.000 0.714 151 K HN 0.652 nan 8.250 nan 0.000 0.440 152 A N 1.964 124.791 122.820 0.012 0.000 1.903 152 A HA -0.157 4.162 4.320 -0.001 0.000 0.219 152 A C 2.588 180.181 177.584 0.014 0.000 1.191 152 A CA 2.253 54.299 52.037 0.015 0.000 0.638 152 A CB -0.975 18.036 19.000 0.018 0.000 0.823 152 A HN 0.164 nan 8.150 nan 0.000 0.451 153 V N 0.387 120.306 119.914 0.009 0.000 2.244 153 V HA -0.226 3.893 4.120 -0.001 0.000 0.244 153 V C 2.201 178.297 176.094 0.003 0.000 1.042 153 V CA 2.244 64.547 62.300 0.004 0.000 1.006 153 V CB -0.953 30.868 31.823 -0.003 0.000 0.641 153 V HN 0.489 nan 8.190 nan 0.000 0.446 154 D N 0.527 120.930 120.400 0.004 0.000 2.228 154 D HA -0.125 4.514 4.640 -0.001 0.000 0.203 154 D C 2.320 178.624 176.300 0.007 0.000 0.988 154 D CA 1.855 55.857 54.000 0.004 0.000 0.864 154 D CB -0.114 40.692 40.800 0.010 0.000 0.928 154 D HN 0.636 nan 8.370 nan 0.000 0.469 155 S N -1.254 114.452 115.700 0.011 0.000 2.492 155 S HA 0.136 4.605 4.470 -0.001 0.000 0.218 155 S C 1.732 176.339 174.600 0.011 0.000 1.016 155 S CA -0.099 58.108 58.200 0.012 0.000 0.916 155 S CB 0.247 63.456 63.200 0.016 0.000 0.791 155 S HN 0.183 nan 8.310 nan 0.000 0.513 156 L N 0.763 121.994 121.223 0.013 0.000 2.920 156 L HA 0.437 4.776 4.340 -0.001 0.000 0.257 156 L C -0.406 176.474 176.870 0.017 0.000 1.150 156 L CA -0.047 54.803 54.840 0.016 0.000 0.959 156 L CB 1.424 43.496 42.059 0.022 0.000 1.321 156 L HN 0.132 nan 8.230 nan 0.000 0.555 157 V N -0.060 119.861 119.914 0.011 0.000 2.719 157 V HA 0.206 4.325 4.120 -0.001 0.000 0.330 157 V C -2.487 173.605 176.094 -0.003 0.000 1.224 157 V CA -1.035 61.270 62.300 0.008 0.000 1.314 157 V CB 0.256 32.084 31.823 0.009 0.000 1.416 157 V HN -0.020 nan 8.190 nan 0.000 0.651 158 P HA 0.100 nan 4.420 nan 0.000 0.261 158 P C -0.551 176.737 177.300 -0.020 0.000 1.173 158 P CA 0.621 63.714 63.100 -0.012 0.000 0.760 158 P CB 0.937 32.630 31.700 -0.011 0.000 0.783 159 I N 2.445 122.998 120.570 -0.029 0.000 2.441 159 I HA 0.513 4.682 4.170 -0.001 0.000 0.295 159 I C 1.061 177.150 176.117 -0.047 0.000 0.994 159 I CA -0.610 60.668 61.300 -0.036 0.000 1.144 159 I CB 1.111 39.087 38.000 -0.040 0.000 1.314 159 I HN 0.341 nan 8.210 nan 0.000 0.445 160 G N 5.285 114.060 108.800 -0.042 0.000 2.489 160 G HA2 0.572 4.531 3.960 -0.001 0.000 0.327 160 G HA3 0.572 4.531 3.960 -0.001 0.000 0.327 160 G C -0.428 174.443 174.900 -0.048 0.000 1.189 160 G CA -0.934 44.135 45.100 -0.052 0.000 0.962 160 G HN 0.512 nan 8.290 nan 0.000 0.486 161 R N -0.124 120.342 120.500 -0.057 0.000 2.347 161 R HA 0.429 4.769 4.340 -0.001 0.000 0.304 161 R C 1.072 177.381 176.300 0.015 0.000 1.072 161 R CA 0.812 56.898 56.100 -0.025 0.000 0.980 161 R CB 0.928 31.206 30.300 -0.037 0.000 0.986 161 R HN 1.130 nan 8.270 nan 0.000 0.448 162 G N 1.710 110.523 108.800 0.022 0.000 2.238 162 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.217 162 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.217 162 G C 0.239 175.143 174.900 0.006 0.000 0.996 162 G CA -0.060 45.053 45.100 0.022 0.000 0.632 162 G HN 0.590 nan 8.290 nan 0.000 0.503 163 Q N 0.305 120.102 119.800 -0.004 0.000 2.417 163 Q HA 0.600 4.939 4.340 -0.001 0.000 0.241 163 Q C -0.156 175.836 176.000 -0.014 0.000 1.008 163 Q CA -0.160 55.637 55.803 -0.010 0.000 0.901 163 Q CB 0.321 29.048 28.738 -0.018 0.000 1.259 163 Q HN 0.309 nan 8.270 nan 0.000 0.489 164 R N 2.330 122.821 120.500 -0.015 0.000 2.352 164 R HA 0.262 4.601 4.340 -0.001 0.000 0.304 164 R C -1.468 174.812 176.300 -0.034 0.000 1.104 164 R CA -0.472 55.616 56.100 -0.019 0.000 0.991 164 R CB 1.316 31.607 30.300 -0.015 0.000 1.140 164 R HN 0.457 nan 8.270 nan 0.000 0.540 165 E N 2.555 122.728 120.200 -0.045 0.000 2.145 165 E HA 0.315 4.664 4.350 -0.001 0.000 0.270 165 E C -1.262 175.288 176.600 -0.084 0.000 0.906 165 E CA -0.861 55.502 56.400 -0.061 0.000 0.761 165 E CB 0.967 30.634 29.700 -0.055 0.000 1.116 165 E HN 0.388 nan 8.360 nan 0.000 0.408 166 L N 5.293 126.447 121.223 -0.115 0.000 2.350 166 L HA 0.500 4.839 4.340 -0.001 0.000 0.275 166 L C -0.910 175.852 176.870 -0.180 0.000 1.099 166 L CA -0.129 54.625 54.840 -0.144 0.000 0.808 166 L CB 0.685 42.643 42.059 -0.169 0.000 1.149 166 L HN 0.650 nan 8.230 nan 0.000 0.442 167 I N 6.614 127.095 120.570 -0.148 0.000 2.312 167 I HA 0.396 4.566 4.170 -0.001 0.000 0.290 167 I C -0.314 175.708 176.117 -0.159 0.000 1.008 167 I CA -0.108 61.105 61.300 -0.145 0.000 1.226 167 I CB 1.258 39.204 38.000 -0.090 0.000 1.371 167 I HN 0.561 nan 8.210 nan 0.000 0.468 168 I N 5.276 125.719 120.570 -0.213 0.000 2.730 168 I HA 0.927 5.097 4.170 -0.001 0.000 0.298 168 I C -0.229 175.856 176.117 -0.053 0.000 1.089 168 I CA -0.036 61.172 61.300 -0.153 0.000 1.041 168 I CB 2.056 39.908 38.000 -0.246 0.000 1.235 168 I HN 0.679 nan 8.210 nan 0.000 0.423 169 G N 4.748 113.549 108.800 0.002 0.000 2.322 169 G HA2 0.198 4.157 3.960 -0.001 0.000 0.295 169 G HA3 0.198 4.157 3.960 -0.001 0.000 0.295 169 G C -1.907 173.007 174.900 0.024 0.000 1.369 169 G CA -0.707 44.417 45.100 0.041 0.000 0.821 169 G HN 0.508 nan 8.290 nan 0.000 0.536 170 D N 0.033 120.446 120.400 0.022 0.000 2.414 170 D HA 0.340 4.979 4.640 -0.001 0.000 0.259 170 D C 1.131 177.421 176.300 -0.016 0.000 1.269 170 D CA -0.159 53.849 54.000 0.013 0.000 1.028 170 D CB 0.410 41.223 40.800 0.021 0.000 1.093 170 D HN 0.670 nan 8.370 nan 0.000 0.545 171 R N 0.106 120.599 120.500 -0.011 0.000 2.734 171 R HA 0.031 4.370 4.340 -0.001 0.000 0.266 171 R C -0.101 176.157 176.300 -0.069 0.000 1.044 171 R CA -0.327 55.759 56.100 -0.024 0.000 1.128 171 R CB 0.049 30.346 30.300 -0.005 0.000 1.010 171 R HN 0.170 nan 8.270 nan 0.000 0.461 172 Q N 0.251 119.997 119.800 -0.089 0.000 2.423 172 Q HA -0.162 4.177 4.340 -0.001 0.000 0.332 172 Q C -0.088 175.700 176.000 -0.353 0.000 1.355 172 Q CA 1.660 57.361 55.803 -0.171 0.000 0.947 172 Q CB -1.407 27.256 28.738 -0.125 0.000 1.189 172 Q HN 0.990 nan 8.270 nan 0.000 0.418 173 T N -4.985 109.386 114.554 -0.305 0.000 2.985 173 T HA 0.431 4.780 4.350 -0.001 0.000 0.254 173 T C 1.194 175.724 174.700 -0.283 0.000 1.021 173 T CA 0.518 62.384 62.100 -0.391 0.000 0.957 173 T CB 1.187 69.957 68.868 -0.164 0.000 1.047 173 T HN 0.652 nan 8.240 nan 0.000 0.511 174 G N 1.685 110.381 108.800 -0.174 0.000 2.183 174 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.168 174 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.168 174 G C 0.771 175.653 174.900 -0.029 0.000 1.008 174 G CA 0.124 45.195 45.100 -0.048 0.000 0.677 174 G HN 0.417 nan 8.290 nan 0.000 0.498 175 K N 0.097 120.473 120.400 -0.038 0.000 1.987 175 K HA -0.091 4.229 4.320 -0.001 0.000 0.216 175 K C 2.534 179.131 176.600 -0.005 0.000 1.051 175 K CA 2.147 58.419 56.287 -0.026 0.000 0.942 175 K CB -0.425 32.056 32.500 -0.031 0.000 0.722 175 K HN 0.286 nan 8.250 nan 0.000 0.444 176 T N 0.905 115.468 114.554 0.016 0.000 2.833 176 T HA -0.098 4.251 4.350 -0.001 0.000 0.269 176 T C 2.052 176.769 174.700 0.028 0.000 1.054 176 T CA 1.408 63.547 62.100 0.064 0.000 1.135 176 T CB -0.187 68.741 68.868 0.100 0.000 0.869 176 T HN 0.159 nan 8.240 nan 0.000 0.466 177 S N 1.484 117.175 115.700 -0.015 0.000 2.359 177 S HA -0.085 4.384 4.470 -0.001 0.000 0.224 177 S C 2.037 176.598 174.600 -0.065 0.000 1.035 177 S CA 0.831 58.987 58.200 -0.073 0.000 1.018 177 S CB -0.396 62.743 63.200 -0.103 0.000 0.876 177 S HN 0.317 nan 8.310 nan 0.000 0.448 178 I N 2.395 122.943 120.570 -0.036 0.000 2.113 178 I HA -0.257 3.912 4.170 -0.001 0.000 0.242 178 I C 2.766 178.876 176.117 -0.011 0.000 1.064 178 I CA 1.581 62.864 61.300 -0.027 0.000 1.320 178 I CB -1.979 36.008 38.000 -0.021 0.000 1.028 178 I HN 0.258 nan 8.210 nan 0.000 0.406 179 A N 1.302 124.130 122.820 0.014 0.000 1.865 179 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 179 A C 2.304 179.917 177.584 0.048 0.000 1.191 179 A CA 1.673 53.738 52.037 0.046 0.000 0.623 179 A CB -0.741 18.327 19.000 0.112 0.000 0.826 179 A HN 0.308 nan 8.150 nan 0.000 0.444 180 I N 0.448 121.035 120.570 0.028 0.000 2.091 180 I HA -0.251 3.918 4.170 -0.001 0.000 0.239 180 I C 2.040 178.160 176.117 0.006 0.000 1.061 180 I CA 2.057 63.358 61.300 0.001 0.000 1.317 180 I CB -1.775 36.215 38.000 -0.017 0.000 1.031 180 I HN 0.297 nan 8.210 nan 0.000 0.401 181 D N 0.590 120.968 120.400 -0.037 0.000 2.149 181 D HA -0.173 4.466 4.640 -0.001 0.000 0.194 181 D C 2.182 178.494 176.300 0.020 0.000 1.001 181 D CA 1.778 55.763 54.000 -0.026 0.000 0.849 181 D CB -0.348 40.413 40.800 -0.064 0.000 0.939 181 D HN 0.285 nan 8.370 nan 0.000 0.449 182 T N 0.626 115.193 114.554 0.021 0.000 2.684 182 T HA -0.126 4.224 4.350 -0.001 0.000 0.267 182 T C 2.161 176.906 174.700 0.075 0.000 1.036 182 T CA 0.826 62.949 62.100 0.038 0.000 1.148 182 T CB -0.277 68.604 68.868 0.022 0.000 0.863 182 T HN 0.181 nan 8.240 nan 0.000 0.436 183 I N 0.888 121.511 120.570 0.089 0.000 2.142 183 I HA -0.169 4.001 4.170 -0.001 0.000 0.240 183 I C 2.344 178.602 176.117 0.236 0.000 1.078 183 I CA 1.048 62.442 61.300 0.157 0.000 1.343 183 I CB -0.512 37.549 38.000 0.101 0.000 1.046 183 I HN 0.194 nan 8.210 nan 0.000 0.405 184 I N 1.103 121.760 120.570 0.145 0.000 2.113 184 I HA -0.376 3.793 4.170 -0.001 0.000 0.242 184 I C 2.341 178.558 176.117 0.166 0.000 1.064 184 I CA 2.049 63.442 61.300 0.155 0.000 1.320 184 I CB -1.725 36.335 38.000 0.100 0.000 1.028 184 I HN 0.383 nan 8.210 nan 0.000 0.406 185 N N 0.978 119.738 118.700 0.100 0.000 2.184 185 N HA -0.242 4.497 4.740 -0.001 0.000 0.190 185 N C 1.591 177.120 175.510 0.033 0.000 1.011 185 N CA 1.276 54.359 53.050 0.056 0.000 0.867 185 N CB -0.023 38.511 38.487 0.077 0.000 0.993 185 N HN 0.307 nan 8.380 nan 0.000 0.433 186 Q N 0.106 119.945 119.800 0.065 0.000 2.541 186 Q HA -0.054 4.285 4.340 -0.001 0.000 0.215 186 Q C 1.486 177.279 176.000 -0.345 0.000 0.977 186 Q CA 0.502 56.291 55.803 -0.024 0.000 0.934 186 Q CB -0.124 28.492 28.738 -0.203 0.000 0.988 186 Q HN 0.534 nan 8.270 nan 0.000 0.521 187 K N 1.141 121.393 120.400 -0.247 0.000 2.155 187 K HA -0.080 4.239 4.320 -0.001 0.000 0.203 187 K C 1.733 178.159 176.600 -0.290 0.000 1.052 187 K CA 0.539 56.699 56.287 -0.211 0.000 0.948 187 K CB 0.210 32.753 32.500 0.072 0.000 0.728 187 K HN 0.150 nan 8.250 nan 0.000 0.448 188 R N -0.415 119.806 120.500 -0.465 0.000 2.117 188 R HA -0.155 4.184 4.340 -0.001 0.000 0.243 188 R C 1.873 177.759 176.300 -0.689 0.000 1.143 188 R CA 1.755 57.464 56.100 -0.652 0.000 0.968 188 R CB -0.433 29.278 30.300 -0.982 0.000 0.863 188 R HN 0.206 nan 8.270 nan 0.000 0.444 189 F N 0.296 120.142 119.950 -0.174 0.000 2.530 189 F HA 0.183 4.710 4.527 -0.001 0.000 0.292 189 F C 1.743 177.416 175.800 -0.211 0.000 1.109 189 F CA -0.030 57.864 58.000 -0.178 0.000 1.450 189 F CB -0.279 38.603 39.000 -0.197 0.000 1.114 189 F HN -0.126 nan 8.300 nan 0.000 0.560 190 N N 0.243 118.841 118.700 -0.169 0.000 2.494 190 N HA -0.096 4.643 4.740 -0.001 0.000 0.182 190 N C 0.747 176.203 175.510 -0.090 0.000 1.076 190 N CA 0.887 53.808 53.050 -0.216 0.000 0.908 190 N CB -0.223 37.963 38.487 -0.502 0.000 0.967 190 N HN 0.247 nan 8.380 nan 0.000 0.449 191 D N -0.503 119.847 120.400 -0.084 0.000 2.360 191 D HA 0.107 4.746 4.640 -0.001 0.000 0.210 191 D C 1.088 177.370 176.300 -0.030 0.000 1.047 191 D CA 0.122 54.100 54.000 -0.037 0.000 0.854 191 D CB 0.234 41.008 40.800 -0.043 0.000 0.936 191 D HN 0.089 nan 8.370 nan 0.000 0.514 192 G N -0.159 108.619 108.800 -0.036 0.000 2.616 192 G HA2 0.268 4.227 3.960 -0.001 0.000 0.268 192 G HA3 0.268 4.227 3.960 -0.001 0.000 0.268 192 G C 1.058 175.964 174.900 0.009 0.000 1.213 192 G CA 0.008 45.100 45.100 -0.013 0.000 0.926 192 G HN 0.055 nan 8.290 nan 0.000 0.523 193 T N -1.247 113.316 114.554 0.015 0.000 3.010 193 T HA 0.021 4.371 4.350 -0.001 0.000 0.252 193 T C 0.875 175.592 174.700 0.029 0.000 1.047 193 T CA 0.441 62.555 62.100 0.022 0.000 1.140 193 T CB -0.030 68.848 68.868 0.016 0.000 0.885 193 T HN 0.449 nan 8.240 nan 0.000 0.464 194 D N 2.337 122.754 120.400 0.029 0.000 2.368 194 D HA 0.032 4.671 4.640 -0.001 0.000 0.268 194 D C 0.613 176.933 176.300 0.033 0.000 1.298 194 D CA 0.113 54.130 54.000 0.028 0.000 0.938 194 D CB 0.595 41.410 40.800 0.026 0.000 1.101 194 D HN 0.311 nan 8.370 nan 0.000 0.509 195 E N 2.130 122.357 120.200 0.046 0.000 2.511 195 E HA -0.037 4.312 4.350 -0.001 0.000 0.196 195 E C 0.987 177.636 176.600 0.081 0.000 1.066 195 E CA 0.456 56.898 56.400 0.069 0.000 0.871 195 E CB 0.322 30.076 29.700 0.090 0.000 0.863 195 E HN 0.336 nan 8.360 nan 0.000 0.520 196 K N -0.306 120.125 120.400 0.052 0.000 2.387 196 K HA 0.136 4.455 4.320 -0.001 0.000 0.198 196 K C 1.011 177.569 176.600 -0.070 0.000 1.022 196 K CA 0.198 56.522 56.287 0.063 0.000 1.128 196 K CB 0.522 33.054 32.500 0.053 0.000 0.853 196 K HN -0.106 nan 8.250 nan 0.000 0.523 197 K N 0.243 120.588 120.400 -0.092 0.000 2.380 197 K HA 0.117 4.436 4.320 -0.001 0.000 0.198 197 K C -0.265 176.190 176.600 -0.242 0.000 1.070 197 K CA 0.051 56.200 56.287 -0.231 0.000 1.040 197 K CB 0.774 33.175 32.500 -0.165 0.000 0.903 197 K HN -0.018 nan 8.250 nan 0.000 0.549 198 K N 1.532 121.853 120.400 -0.132 0.000 2.382 198 K HA 0.131 4.450 4.320 -0.001 0.000 0.275 198 K C -0.551 175.848 176.600 -0.334 0.000 1.009 198 K CA -0.141 56.005 56.287 -0.235 0.000 0.970 198 K CB 0.598 32.959 32.500 -0.233 0.000 0.934 198 K HN -0.155 nan 8.250 nan 0.000 0.479 199 L N 3.949 124.885 121.223 -0.478 0.000 2.415 199 L HA 0.284 4.623 4.340 -0.001 0.000 0.268 199 L C -1.551 174.995 176.870 -0.540 0.000 0.984 199 L CA -0.509 54.096 54.840 -0.392 0.000 0.853 199 L CB 0.635 42.541 42.059 -0.255 0.000 1.215 199 L HN 0.426 nan 8.230 nan 0.000 0.419 200 Y N 3.109 123.275 120.300 -0.224 0.000 2.411 200 Y HA 0.343 4.892 4.550 -0.001 0.000 0.333 200 Y C 0.718 176.518 175.900 -0.167 0.000 1.186 200 Y CA 0.120 58.047 58.100 -0.288 0.000 1.381 200 Y CB 0.665 38.570 38.460 -0.926 0.000 1.273 200 Y HN 0.507 nan 8.280 nan 0.000 0.546 201 C N 4.336 123.704 119.300 0.113 0.000 2.391 201 C HA 0.700 5.159 4.460 -0.001 0.000 0.339 201 C C -0.137 174.891 174.990 0.062 0.000 1.205 201 C CA -0.961 58.108 59.018 0.084 0.000 1.937 201 C CB 0.129 27.963 27.740 0.157 0.000 2.341 201 C HN 0.595 nan 8.230 nan 0.000 0.516 202 I N 2.358 122.946 120.570 0.030 0.000 2.447 202 I HA 0.309 4.478 4.170 -0.001 0.000 0.287 202 I C -0.879 175.250 176.117 0.020 0.000 1.023 202 I CA -0.260 61.058 61.300 0.029 0.000 1.083 202 I CB 1.039 39.041 38.000 0.004 0.000 1.245 202 I HN 0.618 nan 8.210 nan 0.000 0.434 203 Y N 6.926 127.190 120.300 -0.061 0.000 2.328 203 Y HA 0.703 5.252 4.550 -0.001 0.000 0.333 203 Y C -0.997 174.872 175.900 -0.051 0.000 0.958 203 Y CA -0.852 57.205 58.100 -0.071 0.000 1.167 203 Y CB 1.248 39.680 38.460 -0.047 0.000 1.151 203 Y HN 0.278 nan 8.280 nan 0.000 0.470 204 V N 5.888 125.538 119.914 -0.441 0.000 2.394 204 V HA 0.729 4.848 4.120 -0.001 0.000 0.282 204 V C -0.107 175.760 176.094 -0.377 0.000 1.031 204 V CA -0.638 61.514 62.300 -0.247 0.000 0.881 204 V CB 0.977 32.742 31.823 -0.098 0.000 0.982 204 V HN 0.908 nan 8.190 nan 0.000 0.451 205 A N 6.946 129.706 122.820 -0.100 0.000 2.267 205 A HA 0.861 5.180 4.320 -0.001 0.000 0.315 205 A C -0.606 176.981 177.584 0.004 0.000 1.297 205 A CA -0.413 51.620 52.037 -0.006 0.000 0.865 205 A CB 0.234 19.355 19.000 0.201 0.000 1.165 205 A HN 0.803 nan 8.150 nan 0.000 0.513 206 I N 2.065 122.626 120.570 -0.016 0.000 2.389 206 I HA 0.569 4.738 4.170 -0.001 0.000 0.288 206 I C 1.167 177.293 176.117 0.015 0.000 0.999 206 I CA -0.099 61.200 61.300 -0.001 0.000 1.129 206 I CB 1.759 39.748 38.000 -0.018 0.000 1.288 206 I HN 0.941 nan 8.210 nan 0.000 0.444 207 G N 3.751 112.567 108.800 0.026 0.000 2.184 207 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.264 207 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.264 207 G C 0.280 175.200 174.900 0.033 0.000 0.975 207 G CA -0.132 44.986 45.100 0.030 0.000 0.642 207 G HN 0.639 nan 8.290 nan 0.000 0.536 208 Q N 0.361 120.185 119.800 0.040 0.000 2.443 208 Q HA 0.444 4.783 4.340 -0.001 0.000 0.232 208 Q C 0.858 176.883 176.000 0.041 0.000 1.026 208 Q CA 0.252 56.084 55.803 0.048 0.000 0.924 208 Q CB 0.478 29.260 28.738 0.072 0.000 1.256 208 Q HN 0.650 nan 8.270 nan 0.000 0.519 209 K N 0.504 120.926 120.400 0.037 0.000 2.118 209 K HA 0.237 4.556 4.320 -0.001 0.000 0.264 209 K C 0.349 176.968 176.600 0.031 0.000 1.000 209 K CA -0.553 55.752 56.287 0.030 0.000 0.929 209 K CB 1.066 33.581 32.500 0.025 0.000 1.021 209 K HN 0.419 nan 8.250 nan 0.000 0.463 210 R N 0.915 121.431 120.500 0.026 0.000 2.127 210 R HA -0.126 4.214 4.340 -0.001 0.000 0.238 210 R C 1.933 178.244 176.300 0.019 0.000 1.134 210 R CA 1.826 57.941 56.100 0.025 0.000 0.975 210 R CB -0.507 29.805 30.300 0.020 0.000 0.865 210 R HN 0.773 nan 8.270 nan 0.000 0.447 211 S N 0.443 116.153 115.700 0.017 0.000 2.399 211 S HA -0.117 4.352 4.470 -0.001 0.000 0.231 211 S C 1.916 176.523 174.600 0.011 0.000 1.022 211 S CA 1.712 59.919 58.200 0.012 0.000 0.983 211 S CB -0.361 62.846 63.200 0.012 0.000 0.803 211 S HN 0.313 nan 8.310 nan 0.000 0.480 212 T N 2.441 117.006 114.554 0.019 0.000 2.777 212 T HA -0.022 4.327 4.350 -0.001 0.000 0.266 212 T C 1.995 176.701 174.700 0.010 0.000 1.040 212 T CA 1.298 63.411 62.100 0.021 0.000 1.141 212 T CB -0.449 68.441 68.868 0.037 0.000 0.868 212 T HN 0.268 nan 8.240 nan 0.000 0.444 213 V N 1.839 121.765 119.914 0.021 0.000 2.307 213 V HA -0.117 4.002 4.120 -0.001 0.000 0.245 213 V C 2.935 179.017 176.094 -0.021 0.000 1.045 213 V CA 1.543 63.848 62.300 0.008 0.000 1.024 213 V CB -1.336 30.514 31.823 0.046 0.000 0.651 213 V HN 0.504 nan 8.190 nan 0.000 0.449 214 A N -0.551 122.263 122.820 -0.009 0.000 1.892 214 A HA -0.285 4.034 4.320 -0.001 0.000 0.218 214 A C 2.214 179.780 177.584 -0.030 0.000 1.188 214 A CA 1.910 53.937 52.037 -0.017 0.000 0.631 214 A CB -0.530 18.466 19.000 -0.008 0.000 0.822 214 A HN 0.546 nan 8.150 nan 0.000 0.447 215 Q N -0.876 118.909 119.800 -0.024 0.000 2.124 215 Q HA -0.127 4.212 4.340 -0.001 0.000 0.202 215 Q C 2.138 178.109 176.000 -0.050 0.000 0.977 215 Q CA 1.017 56.802 55.803 -0.031 0.000 0.850 215 Q CB -0.513 28.216 28.738 -0.014 0.000 0.901 215 Q HN 0.623 nan 8.270 nan 0.000 0.429 216 L N 1.146 122.330 121.223 -0.066 0.000 1.976 216 L HA -0.134 4.205 4.340 -0.001 0.000 0.209 216 L C 2.499 179.288 176.870 -0.135 0.000 1.071 216 L CA 1.968 56.734 54.840 -0.123 0.000 0.746 216 L CB -1.204 40.737 42.059 -0.198 0.000 0.890 216 L HN 0.186 nan 8.230 nan 0.000 0.432 217 V N -1.598 118.246 119.914 -0.116 0.000 2.469 217 V HA -0.259 3.860 4.120 -0.001 0.000 0.251 217 V C 2.663 178.706 176.094 -0.086 0.000 1.064 217 V CA 2.038 64.277 62.300 -0.102 0.000 1.066 217 V CB -0.994 30.788 31.823 -0.070 0.000 0.667 217 V HN 0.472 nan 8.190 nan 0.000 0.461 218 K N 0.617 120.974 120.400 -0.072 0.000 1.985 218 K HA -0.275 4.044 4.320 -0.001 0.000 0.210 218 K C 2.476 179.027 176.600 -0.083 0.000 1.047 218 K CA 2.139 58.384 56.287 -0.069 0.000 0.932 218 K CB -0.332 32.132 32.500 -0.061 0.000 0.716 218 K HN 0.409 nan 8.250 nan 0.000 0.439 219 R N 1.165 121.611 120.500 -0.091 0.000 2.103 219 R HA -0.088 4.252 4.340 -0.001 0.000 0.242 219 R C 2.288 178.541 176.300 -0.080 0.000 1.142 219 R CA 1.470 57.507 56.100 -0.104 0.000 0.960 219 R CB -0.688 29.567 30.300 -0.075 0.000 0.858 219 R HN 0.314 nan 8.270 nan 0.000 0.439 220 L N -0.958 120.213 121.223 -0.087 0.000 2.093 220 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 220 L C 2.134 178.940 176.870 -0.107 0.000 1.085 220 L CA 1.720 56.498 54.840 -0.103 0.000 0.755 220 L CB -0.534 41.439 42.059 -0.143 0.000 0.904 220 L HN 0.261 nan 8.230 nan 0.000 0.435 221 T N -0.990 113.508 114.554 -0.094 0.000 2.708 221 T HA -0.183 4.166 4.350 -0.001 0.000 0.266 221 T C 1.402 176.061 174.700 -0.068 0.000 1.037 221 T CA 1.493 63.544 62.100 -0.080 0.000 1.146 221 T CB -0.287 68.543 68.868 -0.064 0.000 0.865 221 T HN 0.277 nan 8.240 nan 0.000 0.435 222 D N 1.440 121.799 120.400 -0.069 0.000 2.228 222 D HA -0.033 4.606 4.640 -0.001 0.000 0.203 222 D C 1.795 178.063 176.300 -0.053 0.000 0.988 222 D CA 1.012 54.973 54.000 -0.064 0.000 0.864 222 D CB -0.223 40.526 40.800 -0.086 0.000 0.928 222 D HN 0.472 nan 8.370 nan 0.000 0.469 223 A N -0.109 122.680 122.820 -0.051 0.000 2.348 223 A HA 0.122 4.441 4.320 -0.001 0.000 0.224 223 A C 0.334 177.906 177.584 -0.021 0.000 1.227 223 A CA 0.230 52.253 52.037 -0.024 0.000 0.885 223 A CB 0.276 19.278 19.000 0.003 0.000 0.933 223 A HN 0.006 nan 8.150 nan 0.000 0.506 224 D N -2.276 118.095 120.400 -0.048 0.000 2.716 224 D HA -0.182 4.458 4.640 -0.001 0.000 0.239 224 D C 0.592 176.837 176.300 -0.092 0.000 1.125 224 D CA 1.014 54.987 54.000 -0.045 0.000 0.681 224 D CB -1.258 39.542 40.800 -0.000 0.000 1.070 224 D HN 0.527 nan 8.370 nan 0.000 0.432 225 A N -0.164 122.510 122.820 -0.244 0.000 2.419 225 A HA 0.195 4.514 4.320 -0.001 0.000 0.233 225 A C 1.983 179.106 177.584 -0.769 0.000 1.217 225 A CA 0.086 51.710 52.037 -0.689 0.000 0.944 225 A CB 0.115 18.840 19.000 -0.458 0.000 1.025 225 A HN 0.280 nan 8.150 nan 0.000 0.524 226 M N 1.225 120.609 119.600 -0.361 0.000 2.296 226 M HA -0.125 4.354 4.480 -0.001 0.000 0.265 226 M C 2.022 178.208 176.300 -0.190 0.000 1.064 226 M CA 1.663 56.819 55.300 -0.239 0.000 1.109 226 M CB -0.895 31.628 32.600 -0.129 0.000 1.396 226 M HN 0.685 nan 8.290 nan 0.000 0.430 227 K N 0.613 120.914 120.400 -0.165 0.000 2.074 227 K HA -0.197 4.122 4.320 -0.001 0.000 0.209 227 K C 1.137 177.786 176.600 0.081 0.000 1.048 227 K CA 1.929 58.211 56.287 -0.008 0.000 0.926 227 K CB -0.982 31.559 32.500 0.068 0.000 0.713 227 K HN 0.502 nan 8.250 nan 0.000 0.444 228 Y N 0.612 120.956 120.300 0.073 0.000 2.625 228 Y HA 0.464 5.014 4.550 -0.001 0.000 0.285 228 Y C -0.378 175.577 175.900 0.091 0.000 1.168 228 Y CA -0.932 57.238 58.100 0.116 0.000 1.250 228 Y CB 0.062 38.540 38.460 0.031 0.000 1.130 228 Y HN -0.210 nan 8.280 nan 0.000 0.526 229 T N 2.012 116.542 114.554 -0.041 0.000 2.893 229 T HA 0.627 4.976 4.350 -0.001 0.000 0.291 229 T C -0.661 174.057 174.700 0.031 0.000 1.028 229 T CA -0.528 61.564 62.100 -0.012 0.000 0.995 229 T CB 1.960 70.749 68.868 -0.131 0.000 1.051 229 T HN 0.142 nan 8.240 nan 0.000 0.470 230 I N 1.833 122.441 120.570 0.064 0.000 2.474 230 I HA 0.548 4.717 4.170 -0.001 0.000 0.294 230 I C -0.778 175.383 176.117 0.074 0.000 1.005 230 I CA -1.087 60.255 61.300 0.071 0.000 1.113 230 I CB 2.081 40.139 38.000 0.097 0.000 1.289 230 I HN 0.228 nan 8.210 nan 0.000 0.436 231 V N 6.687 126.641 119.914 0.066 0.000 2.378 231 V HA 0.332 4.452 4.120 -0.001 0.000 0.288 231 V C -0.136 176.010 176.094 0.087 0.000 1.016 231 V CA -0.679 61.681 62.300 0.100 0.000 0.840 231 V CB 1.780 33.652 31.823 0.082 0.000 0.994 231 V HN 0.390 nan 8.190 nan 0.000 0.431 232 V N 3.920 123.886 119.914 0.087 0.000 2.407 232 V HA 0.534 4.654 4.120 -0.001 0.000 0.278 232 V C 0.328 176.461 176.094 0.065 0.000 1.037 232 V CA -0.107 62.228 62.300 0.059 0.000 0.900 232 V CB 1.674 33.522 31.823 0.042 0.000 0.983 232 V HN 0.830 nan 8.190 nan 0.000 0.459 233 S N 3.883 119.618 115.700 0.059 0.000 2.659 233 S HA 0.734 5.203 4.470 -0.001 0.000 0.312 233 S C -0.257 174.369 174.600 0.044 0.000 1.114 233 S CA -0.240 57.996 58.200 0.061 0.000 1.063 233 S CB 1.053 64.294 63.200 0.069 0.000 0.996 233 S HN 1.071 nan 8.310 nan 0.000 0.478 234 A N 4.434 127.275 122.820 0.034 0.000 2.511 234 A HA 0.608 4.927 4.320 -0.001 0.000 0.340 234 A C 0.532 178.133 177.584 0.028 0.000 1.396 234 A CA -0.610 51.442 52.037 0.026 0.000 0.887 234 A CB -0.159 18.850 19.000 0.015 0.000 1.145 234 A HN 0.855 nan 8.150 nan 0.000 0.497 235 T N -1.241 113.332 114.554 0.031 0.000 2.824 235 T HA 0.552 4.901 4.350 -0.001 0.000 0.277 235 T C 1.623 176.338 174.700 0.025 0.000 0.975 235 T CA 0.017 62.136 62.100 0.031 0.000 0.966 235 T CB 1.110 69.998 68.868 0.034 0.000 1.054 235 T HN 1.155 nan 8.240 nan 0.000 0.533 236 A N 1.318 124.154 122.820 0.026 0.000 1.929 236 A HA -0.188 4.131 4.320 -0.001 0.000 0.221 236 A C 2.457 180.052 177.584 0.017 0.000 1.211 236 A CA 2.894 54.944 52.037 0.022 0.000 0.657 236 A CB -1.665 17.348 19.000 0.022 0.000 0.827 236 A HN 1.375 nan 8.150 nan 0.000 0.462 237 S N -0.965 114.745 115.700 0.016 0.000 2.593 237 S HA 0.110 4.579 4.470 -0.001 0.000 0.217 237 S C -0.150 174.457 174.600 0.011 0.000 0.966 237 S CA -0.058 58.150 58.200 0.013 0.000 0.914 237 S CB -0.238 62.970 63.200 0.013 0.000 0.776 237 S HN 0.421 nan 8.310 nan 0.000 0.523 238 D N 2.806 123.213 120.400 0.011 0.000 2.256 238 D HA 0.550 5.189 4.640 -0.001 0.000 0.250 238 D C 0.394 176.689 176.300 -0.009 0.000 1.093 238 D CA 0.032 54.036 54.000 0.006 0.000 0.882 238 D CB 1.495 42.300 40.800 0.009 0.000 1.185 238 D HN 0.422 nan 8.370 nan 0.000 0.437 239 A N 1.864 124.671 122.820 -0.022 0.000 2.613 239 A HA 0.195 4.514 4.320 -0.001 0.000 0.230 239 A C 1.571 179.118 177.584 -0.061 0.000 1.051 239 A CA 0.604 52.615 52.037 -0.044 0.000 0.754 239 A CB 0.073 19.036 19.000 -0.061 0.000 0.979 239 A HN 0.684 nan 8.150 nan 0.000 0.510 240 A N 3.694 126.487 122.820 -0.045 0.000 1.896 240 A HA -0.161 4.159 4.320 -0.001 0.000 0.220 240 A C 0.218 177.796 177.584 -0.010 0.000 1.206 240 A CA 2.239 54.266 52.037 -0.018 0.000 0.647 240 A CB -1.893 17.095 19.000 -0.020 0.000 0.828 240 A HN 0.716 nan 8.150 nan 0.000 0.455 241 P HA -0.156 nan 4.420 nan 0.000 0.216 241 P C 1.454 178.653 177.300 -0.170 0.000 1.150 241 P CA 1.224 64.249 63.100 -0.126 0.000 0.843 241 P CB -0.259 31.148 31.700 -0.488 0.000 0.787 242 L N -0.726 120.327 121.223 -0.283 0.000 2.072 242 L HA -0.135 4.204 4.340 -0.001 0.000 0.205 242 L C 2.889 179.741 176.870 -0.031 0.000 1.079 242 L CA 1.432 56.183 54.840 -0.148 0.000 0.752 242 L CB -1.245 40.755 42.059 -0.099 0.000 0.906 242 L HN -0.056 nan 8.230 nan 0.000 0.436 243 Q N -0.884 118.917 119.800 0.002 0.000 2.124 243 Q HA -0.247 4.092 4.340 -0.001 0.000 0.202 243 Q C 2.143 178.194 176.000 0.084 0.000 0.977 243 Q CA 1.832 57.658 55.803 0.038 0.000 0.850 243 Q CB -0.425 28.341 28.738 0.047 0.000 0.901 243 Q HN 0.524 nan 8.270 nan 0.000 0.429 244 Y N 1.544 121.849 120.300 0.008 0.000 2.089 244 Y HA -0.224 4.325 4.550 -0.001 0.000 0.282 244 Y C 1.837 177.803 175.900 0.109 0.000 1.139 244 Y CA 1.392 59.533 58.100 0.070 0.000 1.123 244 Y CB -0.587 37.935 38.460 0.104 0.000 0.980 244 Y HN -0.032 nan 8.280 nan 0.000 0.493 245 L N 0.223 121.257 121.223 -0.315 0.000 2.017 245 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 245 L C 2.875 179.693 176.870 -0.086 0.000 1.073 245 L CA 1.247 55.925 54.840 -0.270 0.000 0.745 245 L CB -1.235 40.766 42.059 -0.097 0.000 0.894 245 L HN 0.445 nan 8.230 nan 0.000 0.432 246 A N 0.804 123.589 122.820 -0.058 0.000 1.920 246 A HA -0.276 4.043 4.320 -0.001 0.000 0.229 246 A C -0.069 177.482 177.584 -0.056 0.000 1.516 246 A CA 2.906 54.923 52.037 -0.034 0.000 0.714 246 A CB -2.373 16.616 19.000 -0.018 0.000 0.845 246 A HN 0.370 nan 8.150 nan 0.000 0.493 247 P HA -0.130 nan 4.420 nan 0.000 0.218 247 P C 0.998 178.138 177.300 -0.267 0.000 1.149 247 P CA 1.501 64.462 63.100 -0.231 0.000 0.817 247 P CB -0.271 31.033 31.700 -0.659 0.000 0.785 248 Y N 1.205 121.431 120.300 -0.123 0.000 2.206 248 Y HA -0.115 4.434 4.550 -0.001 0.000 0.292 248 Y C 2.971 178.853 175.900 -0.030 0.000 1.123 248 Y CA 1.728 59.767 58.100 -0.101 0.000 1.142 248 Y CB -1.524 36.828 38.460 -0.180 0.000 1.006 248 Y HN 0.039 nan 8.280 nan 0.000 0.518 249 S N -0.534 115.234 115.700 0.114 0.000 2.419 249 S HA -0.125 4.344 4.470 -0.001 0.000 0.233 249 S C 2.249 176.893 174.600 0.074 0.000 1.016 249 S CA 1.160 59.408 58.200 0.081 0.000 0.974 249 S CB -1.108 62.131 63.200 0.064 0.000 0.786 249 S HN 0.453 nan 8.310 nan 0.000 0.492 250 G N 0.062 108.906 108.800 0.073 0.000 2.430 250 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.216 250 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.216 250 G C 1.639 176.597 174.900 0.095 0.000 1.146 250 G CA 0.598 45.742 45.100 0.074 0.000 0.793 250 G HN 0.602 nan 8.290 nan 0.000 0.537 251 C N 0.514 119.892 119.300 0.130 0.000 2.432 251 C HA -0.034 4.426 4.460 -0.001 0.000 0.277 251 C C 3.260 178.323 174.990 0.120 0.000 1.249 251 C CA 1.721 60.824 59.018 0.142 0.000 1.725 251 C CB -0.912 26.917 27.740 0.149 0.000 2.028 251 C HN 0.371 nan 8.230 nan 0.000 0.477 252 S N 0.320 116.085 115.700 0.108 0.000 2.359 252 S HA -0.268 4.201 4.470 -0.001 0.000 0.223 252 S C 1.754 176.416 174.600 0.104 0.000 1.039 252 S CA 2.294 60.549 58.200 0.092 0.000 1.042 252 S CB -0.468 62.773 63.200 0.070 0.000 0.915 252 S HN 0.649 nan 8.310 nan 0.000 0.439 253 M N 0.608 120.266 119.600 0.097 0.000 2.108 253 M HA -0.147 4.332 4.480 -0.001 0.000 0.257 253 M C 2.240 178.686 176.300 0.243 0.000 1.071 253 M CA 1.697 57.063 55.300 0.111 0.000 1.093 253 M CB -0.645 32.018 32.600 0.105 0.000 1.345 253 M HN 0.470 nan 8.290 nan 0.000 0.403 254 G N -0.958 107.988 108.800 0.243 0.000 2.572 254 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.216 254 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.216 254 G C 1.272 176.355 174.900 0.304 0.000 1.133 254 G CA 0.257 45.560 45.100 0.339 0.000 0.791 254 G HN 0.486 nan 8.290 nan 0.000 0.538 255 E N -0.459 119.858 120.200 0.195 0.000 2.107 255 E HA -0.113 4.237 4.350 -0.001 0.000 0.191 255 E C 1.922 178.585 176.600 0.105 0.000 0.982 255 E CA 0.585 57.062 56.400 0.128 0.000 0.809 255 E CB -0.227 29.523 29.700 0.084 0.000 0.756 255 E HN 0.565 nan 8.360 nan 0.000 0.459 256 Y N 0.907 121.178 120.300 -0.048 0.000 2.151 256 Y HA -0.308 4.241 4.550 -0.001 0.000 0.284 256 Y C 1.671 177.438 175.900 -0.222 0.000 1.166 256 Y CA 1.631 59.619 58.100 -0.188 0.000 1.163 256 Y CB -0.451 37.816 38.460 -0.323 0.000 0.974 256 Y HN -0.074 nan 8.280 nan 0.000 0.511 257 F N 0.342 120.342 119.950 0.083 0.000 2.084 257 F HA -0.095 4.431 4.527 -0.001 0.000 0.296 257 F C 2.840 178.574 175.800 -0.111 0.000 1.111 257 F CA 1.902 59.874 58.000 -0.047 0.000 1.224 257 F CB -0.990 38.080 39.000 0.117 0.000 0.991 257 F HN -0.094 nan 8.300 nan 0.000 0.471 258 R N 0.866 121.454 120.500 0.147 0.000 2.136 258 R HA -0.237 4.102 4.340 -0.001 0.000 0.242 258 R C 1.779 178.053 176.300 -0.044 0.000 1.131 258 R CA 2.487 58.603 56.100 0.027 0.000 0.937 258 R CB -0.753 29.570 30.300 0.039 0.000 0.863 258 R HN 0.197 nan 8.270 nan 0.000 0.435 259 D N 0.324 120.690 120.400 -0.056 0.000 2.182 259 D HA -0.118 4.521 4.640 -0.001 0.000 0.201 259 D C 0.481 176.717 176.300 -0.106 0.000 0.986 259 D CA 1.088 55.049 54.000 -0.065 0.000 0.847 259 D CB -0.377 40.382 40.800 -0.068 0.000 0.942 259 D HN 0.285 nan 8.370 nan 0.000 0.467 260 N N -0.333 118.244 118.700 -0.204 0.000 2.597 260 N HA 0.282 5.022 4.740 -0.001 0.000 0.269 260 N C 0.919 176.352 175.510 -0.129 0.000 1.204 260 N CA 0.366 53.288 53.050 -0.213 0.000 0.947 260 N CB 0.510 38.748 38.487 -0.415 0.000 1.258 260 N HN 0.106 nan 8.380 nan 0.000 0.508 261 G N -0.258 108.482 108.800 -0.100 0.000 2.186 261 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.266 261 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.266 261 G C 0.289 175.107 174.900 -0.136 0.000 0.982 261 G CA 0.562 45.604 45.100 -0.097 0.000 0.670 261 G HN 0.396 nan 8.290 nan 0.000 0.533 262 K N 0.001 120.340 120.400 -0.102 0.000 2.139 262 K HA 0.573 4.892 4.320 -0.001 0.000 0.243 262 K C -0.086 176.415 176.600 -0.165 0.000 0.983 262 K CA -0.866 55.432 56.287 0.018 0.000 0.890 262 K CB 0.769 33.453 32.500 0.306 0.000 1.090 262 K HN 0.330 nan 8.250 nan 0.000 0.445 263 H N -0.059 119.116 119.070 0.174 0.000 2.457 263 H HA 0.544 5.099 4.556 -0.001 0.000 0.335 263 H C -0.865 174.503 175.328 0.067 0.000 1.115 263 H CA -0.648 55.446 56.048 0.077 0.000 1.219 263 H CB 1.940 31.686 29.762 -0.027 0.000 1.471 263 H HN 0.650 nan 8.280 nan 0.000 0.491 264 A N 3.030 125.931 122.820 0.136 0.000 2.486 264 A HA 0.441 4.760 4.320 -0.001 0.000 0.300 264 A C -1.518 176.077 177.584 0.018 0.000 1.048 264 A CA -0.632 51.429 52.037 0.040 0.000 0.696 264 A CB 1.903 20.953 19.000 0.082 0.000 1.278 264 A HN 0.439 nan 8.150 nan 0.000 0.405 265 L N 2.395 123.604 121.223 -0.024 0.000 2.307 265 L HA 0.826 5.166 4.340 -0.001 0.000 0.284 265 L C -0.851 175.974 176.870 -0.075 0.000 1.023 265 L CA -0.574 54.239 54.840 -0.044 0.000 0.810 265 L CB 1.140 43.177 42.059 -0.037 0.000 1.231 265 L HN 0.681 nan 8.230 nan 0.000 0.423 266 I N 4.987 125.467 120.570 -0.151 0.000 2.533 266 I HA 0.525 4.694 4.170 -0.001 0.000 0.290 266 I C -1.459 174.393 176.117 -0.441 0.000 1.056 266 I CA -0.602 60.517 61.300 -0.301 0.000 1.057 266 I CB 1.693 39.450 38.000 -0.405 0.000 1.240 266 I HN 0.569 nan 8.210 nan 0.000 0.423 267 I N 8.067 128.374 120.570 -0.438 0.000 2.362 267 I HA 0.289 4.458 4.170 -0.001 0.000 0.289 267 I C -1.168 174.588 176.117 -0.602 0.000 0.994 267 I CA -0.212 60.835 61.300 -0.422 0.000 1.158 267 I CB 1.162 39.043 38.000 -0.199 0.000 1.315 267 I HN 0.310 nan 8.210 nan 0.000 0.451 268 Y N 4.145 124.282 120.300 -0.273 0.000 2.434 268 Y HA 0.427 4.976 4.550 -0.001 0.000 0.341 268 Y C -0.022 175.692 175.900 -0.310 0.000 0.965 268 Y CA -0.798 57.120 58.100 -0.302 0.000 1.205 268 Y CB 0.665 38.962 38.460 -0.271 0.000 1.121 268 Y HN 0.404 nan 8.280 nan 0.000 0.507 269 D N 3.508 123.756 120.400 -0.254 0.000 2.454 269 D HA 0.254 4.893 4.640 -0.001 0.000 0.247 269 D C -1.217 175.022 176.300 -0.102 0.000 1.129 269 D CA -0.437 53.450 54.000 -0.189 0.000 0.877 269 D CB 0.695 41.324 40.800 -0.286 0.000 1.082 269 D HN 0.577 nan 8.370 nan 0.000 0.537 270 D N 1.666 122.028 120.400 -0.063 0.000 2.414 270 D HA 0.322 4.961 4.640 -0.001 0.000 0.241 270 D C 1.277 177.521 176.300 -0.093 0.000 1.008 270 D CA -0.712 53.247 54.000 -0.069 0.000 1.001 270 D CB 1.963 42.736 40.800 -0.044 0.000 1.277 270 D HN 0.121 nan 8.370 nan 0.000 0.538 271 L N 0.292 121.423 121.223 -0.153 0.000 2.446 271 L HA -0.000 4.339 4.340 -0.001 0.000 0.219 271 L C 1.751 178.553 176.870 -0.112 0.000 1.116 271 L CA 0.427 55.113 54.840 -0.258 0.000 0.844 271 L CB -0.092 41.628 42.059 -0.565 0.000 0.970 271 L HN 0.350 nan 8.230 nan 0.000 0.457 272 S N 0.286 115.948 115.700 -0.062 0.000 2.345 272 S HA -0.148 4.321 4.470 -0.001 0.000 0.220 272 S C 1.906 176.543 174.600 0.062 0.000 1.031 272 S CA 1.224 59.430 58.200 0.010 0.000 0.996 272 S CB -0.033 63.174 63.200 0.011 0.000 0.882 272 S HN 0.370 nan 8.310 nan 0.000 0.445 273 K N 1.136 121.561 120.400 0.041 0.000 2.097 273 K HA -0.116 4.203 4.320 -0.001 0.000 0.206 273 K C 2.421 179.073 176.600 0.086 0.000 1.049 273 K CA 1.000 57.323 56.287 0.061 0.000 0.933 273 K CB -0.179 32.343 32.500 0.037 0.000 0.717 273 K HN 0.371 nan 8.250 nan 0.000 0.442 274 Q N 0.902 120.746 119.800 0.073 0.000 2.119 274 Q HA -0.135 4.205 4.340 -0.001 0.000 0.201 274 Q C 2.067 178.188 176.000 0.202 0.000 0.972 274 Q CA 1.322 57.196 55.803 0.117 0.000 0.847 274 Q CB -0.060 28.712 28.738 0.057 0.000 0.903 274 Q HN 0.313 nan 8.270 nan 0.000 0.433 275 A N 0.248 123.194 122.820 0.210 0.000 1.908 275 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 275 A C 2.237 180.045 177.584 0.372 0.000 1.181 275 A CA 1.658 53.839 52.037 0.239 0.000 0.627 275 A CB -0.829 18.243 19.000 0.120 0.000 0.818 275 A HN 0.298 nan 8.150 nan 0.000 0.445 276 V N -0.183 119.904 119.914 0.288 0.000 2.343 276 V HA -0.269 3.850 4.120 -0.001 0.000 0.247 276 V C 3.059 179.238 176.094 0.142 0.000 1.051 276 V CA 1.973 64.400 62.300 0.211 0.000 1.036 276 V CB -1.256 30.650 31.823 0.137 0.000 0.654 276 V HN 0.641 nan 8.190 nan 0.000 0.451 277 A N -0.912 121.997 122.820 0.149 0.000 1.883 277 A HA -0.289 4.030 4.320 -0.001 0.000 0.217 277 A C 2.180 179.832 177.584 0.113 0.000 1.186 277 A CA 2.240 54.349 52.037 0.119 0.000 0.624 277 A CB -0.813 18.277 19.000 0.150 0.000 0.822 277 A HN 0.608 nan 8.150 nan 0.000 0.444 278 Y N 0.444 120.769 120.300 0.041 0.000 2.145 278 Y HA -0.207 4.342 4.550 -0.002 0.000 0.286 278 Y C 2.553 178.439 175.900 -0.024 0.000 1.145 278 Y CA 2.078 60.148 58.100 -0.050 0.000 1.148 278 Y CB -0.475 37.983 38.460 -0.003 0.000 0.981 278 Y HN 0.360 nan 8.280 nan 0.000 0.507 279 R N 0.341 120.861 120.500 0.034 0.000 2.083 279 R HA -0.286 4.053 4.340 -0.001 0.000 0.237 279 R C 2.442 178.638 176.300 -0.174 0.000 1.137 279 R CA 2.123 58.166 56.100 -0.094 0.000 0.951 279 R CB -0.545 29.677 30.300 -0.130 0.000 0.851 279 R HN 0.579 nan 8.270 nan 0.000 0.434 280 Q N 0.103 119.836 119.800 -0.111 0.000 2.112 280 Q HA -0.215 4.125 4.340 -0.001 0.000 0.206 280 Q C 2.037 177.955 176.000 -0.137 0.000 0.987 280 Q CA 2.299 58.040 55.803 -0.104 0.000 0.858 280 Q CB -0.044 28.660 28.738 -0.056 0.000 0.905 280 Q HN 0.480 nan 8.270 nan 0.000 0.420 281 M N -0.443 119.043 119.600 -0.190 0.000 2.193 281 M HA -0.087 4.392 4.480 -0.001 0.000 0.265 281 M C 2.319 178.470 176.300 -0.248 0.000 1.071 281 M CA 1.181 56.360 55.300 -0.202 0.000 1.140 281 M CB 0.051 32.507 32.600 -0.239 0.000 1.369 281 M HN 0.121 nan 8.290 nan 0.000 0.423 282 S N 1.525 116.986 115.700 -0.398 0.000 2.351 282 S HA -0.134 4.335 4.470 -0.001 0.000 0.220 282 S C 1.921 176.407 174.600 -0.189 0.000 1.035 282 S CA 1.372 59.359 58.200 -0.355 0.000 1.031 282 S CB -0.689 62.232 63.200 -0.466 0.000 0.928 282 S HN 0.384 nan 8.310 nan 0.000 0.433 283 L N 0.892 122.017 121.223 -0.162 0.000 2.083 283 L HA -0.054 4.285 4.340 -0.001 0.000 0.209 283 L C 2.235 179.054 176.870 -0.084 0.000 1.083 283 L CA 0.938 55.714 54.840 -0.107 0.000 0.752 283 L CB -0.538 41.460 42.059 -0.102 0.000 0.899 283 L HN 0.265 nan 8.230 nan 0.000 0.433 284 L N -0.706 120.464 121.223 -0.089 0.000 2.291 284 L HA -0.151 4.188 4.340 -0.001 0.000 0.214 284 L C 2.016 178.855 176.870 -0.051 0.000 1.120 284 L CA 0.729 55.532 54.840 -0.062 0.000 0.799 284 L CB -0.161 41.864 42.059 -0.056 0.000 0.925 284 L HN 0.286 nan 8.230 nan 0.000 0.446 285 L N -0.871 120.313 121.223 -0.065 0.000 2.591 285 L HA 0.077 4.417 4.340 -0.001 0.000 0.228 285 L C 0.790 177.639 176.870 -0.036 0.000 1.133 285 L CA 0.090 54.904 54.840 -0.044 0.000 0.880 285 L CB -0.084 41.943 42.059 -0.054 0.000 1.033 285 L HN 0.211 nan 8.230 nan 0.000 0.450 286 R N -0.088 120.385 120.500 -0.045 0.000 3.776 286 R HA -0.142 4.198 4.340 -0.001 0.000 0.312 286 R C -0.006 176.275 176.300 -0.032 0.000 1.181 286 R CA 0.367 56.447 56.100 -0.035 0.000 0.836 286 R CB -1.430 28.858 30.300 -0.021 0.000 1.324 286 R HN 0.373 nan 8.270 nan 0.000 0.501 287 R N 1.302 121.776 120.500 -0.044 0.000 2.679 287 R HA 0.190 4.530 4.340 -0.001 0.000 0.269 287 R C -1.938 174.349 176.300 -0.021 0.000 1.076 287 R CA -1.377 54.706 56.100 -0.028 0.000 1.160 287 R CB 0.019 30.296 30.300 -0.037 0.000 1.054 287 R HN -0.069 nan 8.270 nan 0.000 0.507 288 P HA 0.088 nan 4.420 nan 0.000 0.267 288 P C -2.445 174.862 177.300 0.012 0.000 1.205 288 P CA -1.102 62.000 63.100 0.003 0.000 0.765 288 P CB 0.162 31.870 31.700 0.012 0.000 0.828 289 P HA 0.346 nan 4.420 nan 0.000 0.294 289 P C 0.029 177.345 177.300 0.027 0.000 1.294 289 P CA -0.058 63.049 63.100 0.012 0.000 0.827 289 P CB 1.687 33.376 31.700 -0.018 0.000 0.992 290 G N 2.018 110.856 108.800 0.063 0.000 2.971 290 G HA2 0.379 4.339 3.960 -0.001 0.000 0.235 290 G HA3 0.379 4.339 3.960 -0.001 0.000 0.235 290 G C -0.577 174.337 174.900 0.023 0.000 1.351 290 G CA -1.037 44.087 45.100 0.041 0.000 1.039 290 G HN 0.552 nan 8.290 nan 0.000 0.563 291 R N 0.333 120.792 120.500 -0.070 0.000 2.500 291 R HA -0.038 4.301 4.340 -0.001 0.000 0.281 291 R C 0.223 176.571 176.300 0.080 0.000 0.953 291 R CA 1.369 57.407 56.100 -0.102 0.000 1.108 291 R CB -0.222 29.855 30.300 -0.372 0.000 0.901 291 R HN 0.788 nan 8.270 nan 0.000 0.410 292 E N 1.931 122.184 120.200 0.089 0.000 3.170 292 E HA -0.337 4.012 4.350 -0.001 0.000 0.284 292 E C 0.316 176.877 176.600 -0.064 0.000 0.967 292 E CA 0.545 57.021 56.400 0.127 0.000 0.919 292 E CB -1.347 28.607 29.700 0.422 0.000 1.469 292 E HN 0.890 nan 8.360 nan 0.000 0.444 293 A N -2.013 120.779 122.820 -0.046 0.000 2.979 293 A HA -0.294 4.026 4.320 -0.001 0.000 0.260 293 A C -0.003 177.492 177.584 -0.148 0.000 1.282 293 A CA 1.723 53.691 52.037 -0.115 0.000 0.971 293 A CB -2.054 16.841 19.000 -0.174 0.000 1.124 293 A HN 0.406 nan 8.150 nan 0.000 0.826 294 Y N 0.822 121.219 120.300 0.163 0.000 2.346 294 Y HA 0.448 4.997 4.550 -0.002 0.000 0.330 294 Y C -1.280 174.729 175.900 0.182 0.000 1.178 294 Y CA -1.313 56.909 58.100 0.202 0.000 1.331 294 Y CB 0.417 39.100 38.460 0.371 0.000 1.253 294 Y HN 0.254 nan 8.280 nan 0.000 0.529 295 P HA 0.009 nan 4.420 nan 0.000 0.272 295 P C 0.636 178.103 177.300 0.277 0.000 1.223 295 P CA 0.099 63.322 63.100 0.205 0.000 0.784 295 P CB 0.927 32.707 31.700 0.133 0.000 0.923 296 G N 1.610 110.534 108.800 0.207 0.000 2.501 296 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.220 296 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.220 296 G C 0.711 175.752 174.900 0.235 0.000 1.114 296 G CA 0.553 45.775 45.100 0.203 0.000 0.757 296 G HN 0.662 nan 8.290 nan 0.000 0.559 297 D N 0.100 120.665 120.400 0.275 0.000 2.525 297 D HA 0.103 4.742 4.640 -0.001 0.000 0.229 297 D C 1.631 178.092 176.300 0.268 0.000 1.202 297 D CA -0.428 53.764 54.000 0.320 0.000 0.828 297 D CB 0.234 41.259 40.800 0.375 0.000 1.008 297 D HN 0.094 nan 8.370 nan 0.000 0.493 298 V N -0.201 119.842 119.914 0.214 0.000 2.548 298 V HA -0.083 4.037 4.120 -0.001 0.000 0.249 298 V C 1.762 177.751 176.094 -0.175 0.000 1.055 298 V CA 1.025 63.315 62.300 -0.017 0.000 1.065 298 V CB -0.716 31.100 31.823 -0.012 0.000 0.681 298 V HN 0.228 nan 8.190 nan 0.000 0.462 299 F N 0.026 119.919 119.950 -0.094 0.000 2.146 299 F HA -0.193 4.333 4.527 -0.001 0.000 0.298 299 F C 2.134 177.942 175.800 0.013 0.000 1.096 299 F CA 2.238 60.202 58.000 -0.061 0.000 1.275 299 F CB -0.481 38.540 39.000 0.035 0.000 1.008 299 F HN 0.371 nan 8.300 nan 0.000 0.480 300 Y N 0.455 120.822 120.300 0.112 0.000 2.421 300 Y HA -0.119 4.431 4.550 0.000 0.000 0.292 300 Y C 1.885 177.721 175.900 -0.108 0.000 1.136 300 Y CA 1.234 59.360 58.100 0.044 0.000 1.255 300 Y CB -0.642 37.883 38.460 0.107 0.000 0.991 300 Y HN 0.227 nan 8.280 nan 0.000 0.552 301 L N -0.625 120.411 121.223 -0.311 0.000 2.109 301 L HA -0.139 4.201 4.340 -0.001 0.000 0.207 301 L C 2.098 178.807 176.870 -0.267 0.000 1.086 301 L CA 1.997 56.590 54.840 -0.412 0.000 0.760 301 L CB -0.570 41.133 42.059 -0.593 0.000 0.910 301 L HN 0.288 nan 8.230 nan 0.000 0.437 302 H N -1.961 116.915 119.070 -0.323 0.000 2.431 302 H HA -0.012 4.543 4.556 -0.001 0.000 0.295 302 H C 2.365 177.475 175.328 -0.364 0.000 1.038 302 H CA 0.791 56.614 56.048 -0.375 0.000 1.360 302 H CB 0.163 29.675 29.762 -0.416 0.000 1.433 302 H HN 0.479 nan 8.280 nan 0.000 0.536 303 S N 1.613 117.128 115.700 -0.308 0.000 2.368 303 S HA -0.224 4.245 4.470 -0.001 0.000 0.225 303 S C 2.048 176.595 174.600 -0.088 0.000 1.030 303 S CA 1.252 59.307 58.200 -0.243 0.000 0.999 303 S CB -0.306 62.756 63.200 -0.231 0.000 0.844 303 S HN 0.536 nan 8.310 nan 0.000 0.459 304 R N 0.642 121.088 120.500 -0.091 0.000 2.235 304 R HA 0.184 4.523 4.340 -0.001 0.000 0.213 304 R C 2.145 178.443 176.300 -0.002 0.000 1.059 304 R CA 0.972 57.041 56.100 -0.051 0.000 0.997 304 R CB -0.500 29.699 30.300 -0.168 0.000 0.884 304 R HN 0.472 nan 8.270 nan 0.000 0.462 305 L N 0.651 121.859 121.223 -0.024 0.000 2.121 305 L HA 0.144 4.483 4.340 -0.001 0.000 0.200 305 L C 1.892 178.698 176.870 -0.107 0.000 1.077 305 L CA 1.292 56.081 54.840 -0.084 0.000 0.766 305 L CB -0.266 41.562 42.059 -0.384 0.000 0.931 305 L HN 0.165 nan 8.230 nan 0.000 0.452 306 L N -0.070 121.072 121.223 -0.135 0.000 2.456 306 L HA -0.060 4.280 4.340 -0.001 0.000 0.224 306 L C 2.158 179.012 176.870 -0.027 0.000 1.148 306 L CA 0.412 55.206 54.840 -0.077 0.000 0.825 306 L CB -0.495 41.493 42.059 -0.118 0.000 0.937 306 L HN 0.389 nan 8.230 nan 0.000 0.450 307 E N 0.251 120.439 120.200 -0.020 0.000 2.250 307 E HA -0.044 4.305 4.350 -0.001 0.000 0.192 307 E C 1.956 178.560 176.600 0.007 0.000 0.986 307 E CA 0.361 56.761 56.400 -0.001 0.000 0.849 307 E CB 0.133 29.840 29.700 0.011 0.000 0.797 307 E HN 0.449 nan 8.360 nan 0.000 0.482 308 R N 0.792 121.301 120.500 0.015 0.000 2.357 308 R HA 0.060 4.399 4.340 -0.001 0.000 0.202 308 R C 0.735 177.052 176.300 0.029 0.000 1.047 308 R CA 0.388 56.502 56.100 0.024 0.000 1.034 308 R CB -0.042 30.285 30.300 0.045 0.000 0.875 308 R HN -0.084 nan 8.270 nan 0.000 0.473 309 A N 1.054 123.892 122.820 0.029 0.000 2.309 309 A HA 0.730 5.049 4.320 -0.001 0.000 0.298 309 A C -0.265 177.327 177.584 0.013 0.000 1.165 309 A CA -0.150 51.905 52.037 0.029 0.000 0.821 309 A CB 0.907 19.926 19.000 0.033 0.000 1.102 309 A HN 0.252 nan 8.150 nan 0.000 0.500 310 A N 1.780 124.607 122.820 0.011 0.000 2.567 310 A HA 0.639 4.958 4.320 -0.001 0.000 0.291 310 A C -1.068 176.522 177.584 0.009 0.000 1.048 310 A CA -0.713 51.325 52.037 0.002 0.000 0.661 310 A CB 0.742 19.731 19.000 -0.018 0.000 1.288 310 A HN 0.979 nan 8.150 nan 0.000 0.424 311 K N 1.768 122.174 120.400 0.011 0.000 2.263 311 K HA 0.592 4.911 4.320 -0.001 0.000 0.272 311 K C -0.108 176.501 176.600 0.015 0.000 1.033 311 K CA -0.309 55.995 56.287 0.029 0.000 0.884 311 K CB 0.260 32.782 32.500 0.036 0.000 1.107 311 K HN 0.612 nan 8.250 nan 0.000 0.460 312 M N 2.411 122.020 119.600 0.015 0.000 2.163 312 M HA 0.182 4.661 4.480 -0.001 0.000 0.305 312 M C 0.325 176.669 176.300 0.073 0.000 1.166 312 M CA -0.481 54.831 55.300 0.020 0.000 1.132 312 M CB 0.107 32.727 32.600 0.033 0.000 1.413 312 M HN 0.751 nan 8.290 nan 0.000 0.478 313 N N 0.151 118.932 118.700 0.136 0.000 2.492 313 N HA 0.184 4.923 4.740 -0.001 0.000 0.289 313 N C -0.032 175.564 175.510 0.144 0.000 1.133 313 N CA -0.491 52.644 53.050 0.143 0.000 0.961 313 N CB 0.608 39.195 38.487 0.167 0.000 1.186 313 N HN 0.417 nan 8.380 nan 0.000 0.493 314 D N 0.837 121.286 120.400 0.082 0.000 2.172 314 D HA -0.254 4.385 4.640 -0.001 0.000 0.196 314 D C 1.484 177.796 176.300 0.019 0.000 0.999 314 D CA 1.987 56.015 54.000 0.047 0.000 0.856 314 D CB -0.354 40.463 40.800 0.027 0.000 0.934 314 D HN 0.763 nan 8.370 nan 0.000 0.453 315 A N 0.133 122.962 122.820 0.014 0.000 2.024 315 A HA -0.163 4.157 4.320 -0.001 0.000 0.220 315 A C 1.649 179.070 177.584 -0.272 0.000 1.164 315 A CA 1.081 53.050 52.037 -0.113 0.000 0.643 315 A CB -0.595 18.349 19.000 -0.095 0.000 0.806 315 A HN 0.180 nan 8.150 nan 0.000 0.451 316 F N -2.135 117.806 119.950 -0.015 0.000 2.678 316 F HA 0.403 4.929 4.527 -0.001 0.000 0.305 316 F C 1.712 177.490 175.800 -0.036 0.000 1.090 316 F CA 0.640 58.626 58.000 -0.023 0.000 1.272 316 F CB 0.952 39.941 39.000 -0.019 0.000 1.060 316 F HN 0.343 nan 8.300 nan 0.000 0.576 317 G N -0.784 108.069 108.800 0.089 0.000 2.229 317 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.189 317 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.189 317 G C 1.240 176.152 174.900 0.020 0.000 1.000 317 G CA -0.188 44.931 45.100 0.032 0.000 0.663 317 G HN 0.861 nan 8.290 nan 0.000 0.493 318 G N -0.210 108.620 108.800 0.050 0.000 2.186 318 G HA2 0.125 4.084 3.960 -0.001 0.000 0.266 318 G HA3 0.125 4.084 3.960 -0.001 0.000 0.266 318 G C 1.425 176.314 174.900 -0.019 0.000 0.982 318 G CA 1.300 46.428 45.100 0.047 0.000 0.670 318 G HN 2.070 nan 8.290 nan 0.000 0.533 319 G N -0.419 108.313 108.800 -0.113 0.000 2.636 319 G HA2 0.639 4.598 3.960 -0.001 0.000 0.246 319 G HA3 0.639 4.598 3.960 -0.001 0.000 0.246 319 G C 0.353 175.137 174.900 -0.194 0.000 1.216 319 G CA 1.116 46.021 45.100 -0.324 0.000 0.854 319 G HN 1.742 nan 8.290 nan 0.000 0.572 320 S N -0.978 114.601 115.700 -0.202 0.000 2.661 320 S HA 0.699 5.168 4.470 -0.001 0.000 0.285 320 S C -1.391 173.251 174.600 0.070 0.000 1.138 320 S CA -0.847 57.383 58.200 0.049 0.000 0.855 320 S CB 2.045 65.384 63.200 0.232 0.000 1.136 320 S HN 1.041 nan 8.310 nan 0.000 0.484 321 L N 1.794 123.056 121.223 0.064 0.000 2.471 321 L HA 0.575 4.915 4.340 -0.001 0.000 0.263 321 L C -0.709 176.179 176.870 0.031 0.000 0.985 321 L CA 0.217 55.091 54.840 0.056 0.000 0.868 321 L CB 1.495 43.588 42.059 0.057 0.000 1.203 321 L HN 0.929 nan 8.230 nan 0.000 0.429 322 T N 3.437 117.999 114.554 0.013 0.000 2.882 322 T HA 0.835 5.184 4.350 -0.001 0.000 0.287 322 T C -0.163 174.513 174.700 -0.041 0.000 0.992 322 T CA -0.176 61.916 62.100 -0.013 0.000 1.076 322 T CB 1.451 70.303 68.868 -0.027 0.000 0.961 322 T HN 0.743 nan 8.240 nan 0.000 0.490 323 A N 3.006 125.802 122.820 -0.040 0.000 2.356 323 A HA 0.744 5.063 4.320 -0.001 0.000 0.310 323 A C -0.804 176.737 177.584 -0.072 0.000 1.075 323 A CA -0.756 51.235 52.037 -0.076 0.000 0.746 323 A CB 0.807 19.813 19.000 0.010 0.000 1.221 323 A HN 0.837 nan 8.150 nan 0.000 0.443 324 L N 4.169 125.315 121.223 -0.130 0.000 2.337 324 L HA 0.389 4.728 4.340 -0.001 0.000 0.269 324 L C -2.471 174.343 176.870 -0.093 0.000 1.018 324 L CA -1.783 52.999 54.840 -0.098 0.000 0.876 324 L CB 1.836 43.841 42.059 -0.090 0.000 1.236 324 L HN 0.447 nan 8.230 nan 0.000 0.436 325 P HA 0.293 nan 4.420 nan 0.000 0.292 325 P C -0.721 176.537 177.300 -0.069 0.000 1.283 325 P CA -0.446 62.669 63.100 0.025 0.000 0.835 325 P CB 2.025 33.724 31.700 -0.002 0.000 1.017 326 V N 4.400 124.268 119.914 -0.078 0.000 2.483 326 V HA 0.440 4.559 4.120 -0.001 0.000 0.295 326 V C 0.232 176.263 176.094 -0.105 0.000 1.035 326 V CA -0.570 61.677 62.300 -0.090 0.000 0.896 326 V CB 1.660 33.441 31.823 -0.069 0.000 0.986 326 V HN 0.425 nan 8.190 nan 0.000 0.447 327 I N 3.246 123.756 120.570 -0.099 0.000 2.465 327 I HA 0.415 4.585 4.170 -0.001 0.000 0.291 327 I C 0.008 176.098 176.117 -0.046 0.000 1.014 327 I CA -0.389 60.860 61.300 -0.086 0.000 1.093 327 I CB 2.027 39.969 38.000 -0.096 0.000 1.267 327 I HN 0.804 nan 8.210 nan 0.000 0.431 328 E N 5.289 125.476 120.200 -0.022 0.000 2.115 328 E HA 0.325 4.674 4.350 -0.001 0.000 0.282 328 E C -0.302 176.312 176.600 0.023 0.000 0.987 328 E CA -0.372 56.028 56.400 0.000 0.000 0.797 328 E CB 1.037 30.741 29.700 0.007 0.000 1.086 328 E HN 0.718 nan 8.360 nan 0.000 0.397 329 T N 1.920 116.495 114.554 0.035 0.000 2.824 329 T HA 0.280 4.629 4.350 -0.001 0.000 0.277 329 T C 0.043 174.775 174.700 0.055 0.000 0.975 329 T CA -0.843 61.291 62.100 0.057 0.000 0.966 329 T CB 1.337 70.254 68.868 0.082 0.000 1.054 329 T HN 0.371 nan 8.240 nan 0.000 0.533 330 Q N 0.137 119.974 119.800 0.062 0.000 2.325 330 Q HA 0.539 4.878 4.340 -0.001 0.000 0.270 330 Q C 0.272 176.304 176.000 0.053 0.000 1.020 330 Q CA -0.213 55.624 55.803 0.056 0.000 0.785 330 Q CB 1.472 30.246 28.738 0.061 0.000 1.259 330 Q HN 1.269 nan 8.270 nan 0.000 0.452 331 A N 2.124 124.972 122.820 0.047 0.000 2.783 331 A HA -0.183 4.136 4.320 -0.001 0.000 0.292 331 A C 1.124 178.736 177.584 0.046 0.000 1.495 331 A CA 1.458 53.522 52.037 0.045 0.000 0.787 331 A CB -2.151 16.873 19.000 0.040 0.000 1.017 331 A HN 1.626 nan 8.150 nan 0.000 0.516 332 G N -1.002 107.831 108.800 0.054 0.000 2.203 332 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.263 332 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.263 332 G C 0.025 174.959 174.900 0.057 0.000 1.012 332 G CA 1.090 46.226 45.100 0.059 0.000 0.749 332 G HN 1.638 nan 8.290 nan 0.000 0.512 333 D N 0.636 121.074 120.400 0.062 0.000 2.608 333 D HA 0.318 4.957 4.640 -0.001 0.000 0.224 333 D C 2.006 178.357 176.300 0.084 0.000 1.123 333 D CA 0.270 54.308 54.000 0.064 0.000 1.030 333 D CB 0.078 40.917 40.800 0.066 0.000 1.093 333 D HN 0.544 nan 8.370 nan 0.000 0.497 334 V N 0.534 120.503 119.914 0.092 0.000 2.867 334 V HA -0.101 4.018 4.120 -0.001 0.000 0.260 334 V C 1.597 177.762 176.094 0.119 0.000 1.099 334 V CA 1.152 63.535 62.300 0.138 0.000 1.122 334 V CB -0.484 31.454 31.823 0.192 0.000 0.708 334 V HN 0.259 nan 8.190 nan 0.000 0.490 335 S N 0.438 116.193 115.700 0.092 0.000 2.575 335 S HA 0.585 5.054 4.470 -0.001 0.000 0.215 335 S C 1.217 175.885 174.600 0.113 0.000 0.966 335 S CA 0.290 58.546 58.200 0.094 0.000 0.911 335 S CB -0.152 63.089 63.200 0.067 0.000 0.780 335 S HN 0.901 nan 8.310 nan 0.000 0.514 336 A N 0.830 123.721 122.820 0.118 0.000 2.364 336 A HA 0.307 4.627 4.320 -0.001 0.000 0.258 336 A C 0.998 178.710 177.584 0.213 0.000 1.131 336 A CA -0.065 52.061 52.037 0.149 0.000 0.800 336 A CB -0.256 18.826 19.000 0.136 0.000 1.086 336 A HN 0.304 nan 8.150 nan 0.000 0.508 337 Y N 0.004 120.346 120.300 0.070 0.000 2.036 337 Y HA -0.197 4.352 4.550 -0.001 0.000 0.273 337 Y C 2.013 177.912 175.900 -0.001 0.000 1.135 337 Y CA 2.287 60.414 58.100 0.045 0.000 1.106 337 Y CB -0.796 37.710 38.460 0.077 0.000 0.976 337 Y HN 0.455 nan 8.280 nan 0.000 0.483 338 I N 0.584 121.040 120.570 -0.191 0.000 2.208 338 I HA -0.226 3.943 4.170 -0.001 0.000 0.245 338 I C -0.758 175.312 176.117 -0.078 0.000 1.097 338 I CA 1.626 62.766 61.300 -0.266 0.000 1.363 338 I CB -1.911 35.905 38.000 -0.307 0.000 1.051 338 I HN 0.208 nan 8.210 nan 0.000 0.413 339 P HA -0.112 nan 4.420 nan 0.000 0.216 339 P C 1.724 179.060 177.300 0.060 0.000 1.150 339 P CA 1.552 64.668 63.100 0.027 0.000 0.837 339 P CB -0.213 31.527 31.700 0.068 0.000 0.786 340 T N -0.792 113.820 114.554 0.097 0.000 2.777 340 T HA -0.096 4.253 4.350 -0.001 0.000 0.266 340 T C 1.597 176.386 174.700 0.148 0.000 1.040 340 T CA 1.325 63.505 62.100 0.133 0.000 1.141 340 T CB -0.785 68.189 68.868 0.178 0.000 0.868 340 T HN 0.102 nan 8.240 nan 0.000 0.444 341 N N 1.218 120.002 118.700 0.138 0.000 2.013 341 N HA -0.081 4.658 4.740 -0.001 0.000 0.195 341 N C 2.026 177.602 175.510 0.110 0.000 1.051 341 N CA 1.053 54.240 53.050 0.229 0.000 0.851 341 N CB -1.044 37.509 38.487 0.110 0.000 1.044 341 N HN 0.197 nan 8.380 nan 0.000 0.422 342 V N 1.744 121.650 119.914 -0.013 0.000 2.469 342 V HA -0.166 3.953 4.120 -0.001 0.000 0.251 342 V C 2.257 178.328 176.094 -0.037 0.000 1.064 342 V CA 1.159 63.408 62.300 -0.086 0.000 1.066 342 V CB -0.543 31.179 31.823 -0.168 0.000 0.667 342 V HN 0.268 nan 8.190 nan 0.000 0.461 343 I N 1.093 121.670 120.570 0.013 0.000 2.252 343 I HA -0.215 3.954 4.170 -0.001 0.000 0.245 343 I C 2.684 178.838 176.117 0.062 0.000 1.102 343 I CA 1.903 63.222 61.300 0.031 0.000 1.385 343 I CB -0.456 37.598 38.000 0.090 0.000 1.064 343 I HN 0.508 nan 8.210 nan 0.000 0.414 344 S N 0.790 116.555 115.700 0.108 0.000 2.474 344 S HA -0.057 4.413 4.470 -0.001 0.000 0.235 344 S C 1.767 176.455 174.600 0.146 0.000 0.997 344 S CA 0.824 59.111 58.200 0.145 0.000 0.949 344 S CB -0.405 62.923 63.200 0.213 0.000 0.766 344 S HN 0.452 nan 8.310 nan 0.000 0.517 345 I N 1.492 122.114 120.570 0.087 0.000 3.081 345 I HA 0.058 4.227 4.170 -0.001 0.000 0.274 345 I C 1.322 177.446 176.117 0.011 0.000 1.178 345 I CA 0.575 61.900 61.300 0.042 0.000 1.460 345 I CB -0.299 37.647 38.000 -0.090 0.000 1.137 345 I HN 0.388 nan 8.210 nan 0.000 0.443 346 T N -2.286 112.262 114.554 -0.010 0.000 2.874 346 T HA 0.136 4.485 4.350 -0.001 0.000 0.281 346 T C 0.571 175.269 174.700 -0.004 0.000 0.994 346 T CA -0.554 61.533 62.100 -0.021 0.000 1.015 346 T CB 1.204 70.041 68.868 -0.051 0.000 1.028 346 T HN 0.030 nan 8.240 nan 0.000 0.523 347 D N 0.404 120.798 120.400 -0.009 0.000 2.349 347 D HA 0.281 4.920 4.640 -0.001 0.000 0.224 347 D C 0.949 177.247 176.300 -0.002 0.000 1.029 347 D CA 0.516 54.516 54.000 -0.001 0.000 0.879 347 D CB 0.112 40.910 40.800 -0.004 0.000 0.906 347 D HN 0.888 nan 8.370 nan 0.000 0.528 348 G N 0.068 108.858 108.800 -0.016 0.000 2.316 348 G HA2 0.319 4.278 3.960 -0.001 0.000 0.296 348 G HA3 0.319 4.278 3.960 -0.001 0.000 0.296 348 G C -1.929 172.926 174.900 -0.076 0.000 1.399 348 G CA -0.808 44.282 45.100 -0.017 0.000 0.833 348 G HN -0.060 nan 8.290 nan 0.000 0.565 349 Q N -0.838 118.894 119.800 -0.112 0.000 2.345 349 Q HA 0.672 5.012 4.340 -0.001 0.000 0.275 349 Q C -0.688 175.133 176.000 -0.299 0.000 1.063 349 Q CA -0.463 55.145 55.803 -0.325 0.000 0.819 349 Q CB 2.790 31.107 28.738 -0.702 0.000 1.356 349 Q HN 0.580 nan 8.270 nan 0.000 0.418 350 I N 2.646 123.022 120.570 -0.324 0.000 2.330 350 I HA 0.339 4.509 4.170 -0.001 0.000 0.286 350 I C -0.896 175.081 176.117 -0.234 0.000 1.025 350 I CA -0.459 60.742 61.300 -0.165 0.000 1.197 350 I CB 0.408 38.351 38.000 -0.096 0.000 1.358 350 I HN 0.466 nan 8.210 nan 0.000 0.467 351 F N 6.824 126.777 119.950 0.004 0.000 2.421 351 F HA 0.378 4.904 4.527 -0.002 0.000 0.358 351 F C 0.257 176.063 175.800 0.009 0.000 1.115 351 F CA -0.243 57.760 58.000 0.005 0.000 1.160 351 F CB 0.631 39.636 39.000 0.008 0.000 1.123 351 F HN 0.208 nan 8.300 nan 0.000 0.508 352 L N 3.998 125.308 121.223 0.145 0.000 2.357 352 L HA 0.490 4.829 4.340 -0.001 0.000 0.273 352 L C -0.265 176.668 176.870 0.105 0.000 1.080 352 L CA -0.525 54.375 54.840 0.100 0.000 0.803 352 L CB 1.311 43.393 42.059 0.039 0.000 1.174 352 L HN 0.543 nan 8.230 nan 0.000 0.443 353 E N 0.531 120.787 120.200 0.094 0.000 2.256 353 E HA 0.223 4.572 4.350 -0.001 0.000 0.268 353 E C -0.088 176.565 176.600 0.088 0.000 0.877 353 E CA -0.442 56.009 56.400 0.084 0.000 0.757 353 E CB 2.220 31.970 29.700 0.084 0.000 1.183 353 E HN 0.587 nan 8.360 nan 0.000 0.418 354 T N 1.346 115.944 114.554 0.073 0.000 2.652 354 T HA -0.262 4.088 4.350 -0.001 0.000 0.267 354 T C 1.613 176.429 174.700 0.193 0.000 1.039 354 T CA 1.780 63.943 62.100 0.105 0.000 1.153 354 T CB -0.081 68.877 68.868 0.150 0.000 0.863 354 T HN 0.643 nan 8.240 nan 0.000 0.428 355 E N 1.017 121.318 120.200 0.169 0.000 2.065 355 E HA -0.192 4.157 4.350 -0.001 0.000 0.201 355 E C 2.186 178.875 176.600 0.150 0.000 1.016 355 E CA 1.290 57.790 56.400 0.167 0.000 0.818 355 E CB -0.365 29.401 29.700 0.111 0.000 0.749 355 E HN 0.466 nan 8.360 nan 0.000 0.453 356 L N -0.176 121.117 121.223 0.116 0.000 1.970 356 L HA -0.191 4.148 4.340 -0.001 0.000 0.212 356 L C 2.547 179.462 176.870 0.076 0.000 1.071 356 L CA 1.595 56.489 54.840 0.090 0.000 0.751 356 L CB -0.739 41.370 42.059 0.084 0.000 0.889 356 L HN 0.232 nan 8.230 nan 0.000 0.432 357 F N 0.282 120.180 119.950 -0.088 0.000 2.032 357 F HA -0.361 4.166 4.527 -0.001 0.000 0.297 357 F C 2.466 178.123 175.800 -0.239 0.000 1.125 357 F CA 1.952 59.821 58.000 -0.218 0.000 1.202 357 F CB -0.622 38.143 39.000 -0.392 0.000 0.958 357 F HN -0.048 nan 8.300 nan 0.000 0.491 358 Y N 0.051 120.494 120.300 0.239 0.000 2.483 358 Y HA -0.131 4.419 4.550 -0.001 0.000 0.291 358 Y C 2.190 178.107 175.900 0.029 0.000 1.143 358 Y CA 1.255 59.424 58.100 0.115 0.000 1.289 358 Y CB -0.775 37.776 38.460 0.151 0.000 0.983 358 Y HN 0.103 nan 8.280 nan 0.000 0.556 359 K N -0.835 119.639 120.400 0.122 0.000 2.487 359 K HA 0.117 4.436 4.320 -0.001 0.000 0.192 359 K C 1.359 177.969 176.600 0.016 0.000 1.027 359 K CA 0.677 57.011 56.287 0.077 0.000 1.054 359 K CB -0.084 32.460 32.500 0.073 0.000 0.824 359 K HN 0.445 nan 8.250 nan 0.000 0.510 360 G N 0.869 109.634 108.800 -0.059 0.000 2.201 360 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.212 360 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.212 360 G C 0.039 174.869 174.900 -0.117 0.000 0.994 360 G CA -0.487 44.555 45.100 -0.097 0.000 0.644 360 G HN 0.123 nan 8.290 nan 0.000 0.508 361 I N 2.079 122.595 120.570 -0.090 0.000 2.329 361 I HA 0.389 4.558 4.170 -0.001 0.000 0.295 361 I C 0.605 176.657 176.117 -0.109 0.000 1.109 361 I CA 0.274 61.538 61.300 -0.060 0.000 1.297 361 I CB 0.022 38.022 38.000 -0.000 0.000 1.433 361 I HN 0.134 nan 8.210 nan 0.000 0.509 362 R N 7.639 128.063 120.500 -0.127 0.000 2.502 362 R HA 0.407 4.746 4.340 -0.001 0.000 0.300 362 R C -2.579 173.691 176.300 -0.050 0.000 0.984 362 R CA -1.641 54.383 56.100 -0.128 0.000 0.882 362 R CB 2.556 32.677 30.300 -0.298 0.000 1.180 362 R HN 0.306 nan 8.270 nan 0.000 0.444 363 P HA 0.012 nan 4.420 nan 0.000 0.271 363 P C -0.005 177.331 177.300 0.060 0.000 1.216 363 P CA -0.070 63.053 63.100 0.040 0.000 0.776 363 P CB 1.015 32.731 31.700 0.027 0.000 0.881 364 A N 4.314 127.211 122.820 0.130 0.000 2.176 364 A HA 0.025 4.345 4.320 -0.001 0.000 0.214 364 A C 1.044 178.685 177.584 0.095 0.000 1.327 364 A CA -0.112 52.003 52.037 0.131 0.000 1.015 364 A CB -1.464 17.665 19.000 0.216 0.000 0.818 364 A HN 0.516 nan 8.150 nan 0.000 0.500 365 I N 1.230 121.844 120.570 0.073 0.000 2.662 365 I HA -0.066 4.103 4.170 -0.001 0.000 0.285 365 I C 0.621 176.789 176.117 0.085 0.000 1.161 365 I CA -0.082 61.264 61.300 0.076 0.000 1.415 365 I CB 0.185 38.218 38.000 0.055 0.000 1.385 365 I HN 0.295 nan 8.210 nan 0.000 0.552 366 N N 7.043 125.812 118.700 0.115 0.000 2.448 366 N HA 0.045 4.784 4.740 -0.001 0.000 0.250 366 N C 0.701 176.268 175.510 0.095 0.000 1.136 366 N CA 0.067 53.174 53.050 0.094 0.000 0.953 366 N CB 1.361 39.903 38.487 0.091 0.000 1.251 366 N HN 0.456 nan 8.380 nan 0.000 0.502 367 V N 3.872 123.827 119.914 0.069 0.000 2.407 367 V HA -0.162 3.957 4.120 -0.001 0.000 0.248 367 V C 2.219 178.346 176.094 0.055 0.000 1.055 367 V CA 2.316 64.654 62.300 0.063 0.000 1.049 367 V CB -0.680 31.175 31.823 0.053 0.000 0.662 367 V HN 0.786 nan 8.190 nan 0.000 0.455 368 G N -0.629 108.190 108.800 0.033 0.000 2.418 368 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.217 368 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.217 368 G C 1.444 176.352 174.900 0.013 0.000 1.158 368 G CA 0.795 45.902 45.100 0.011 0.000 0.771 368 G HN 0.514 nan 8.290 nan 0.000 0.545 369 L N 0.912 122.140 121.223 0.008 0.000 2.567 369 L HA 0.225 4.564 4.340 -0.001 0.000 0.225 369 L C 1.103 178.113 176.870 0.232 0.000 1.119 369 L CA -0.296 54.531 54.840 -0.021 0.000 0.871 369 L CB 0.221 42.095 42.059 -0.307 0.000 1.036 369 L HN 0.001 nan 8.230 nan 0.000 0.459 370 S N -0.341 115.519 115.700 0.267 0.000 2.603 370 S HA 0.522 4.991 4.470 -0.001 0.000 0.268 370 S C -0.128 174.573 174.600 0.167 0.000 1.317 370 S CA -0.456 57.917 58.200 0.289 0.000 1.012 370 S CB 1.654 64.954 63.200 0.166 0.000 0.926 370 S HN -0.010 nan 8.310 nan 0.000 0.539 371 V N 0.282 120.264 119.914 0.114 0.000 3.147 371 V HA 0.749 4.868 4.120 -0.001 0.000 0.306 371 V C -0.609 175.505 176.094 0.033 0.000 1.209 371 V CA -0.883 61.461 62.300 0.074 0.000 1.023 371 V CB 2.020 33.896 31.823 0.088 0.000 1.059 371 V HN 0.706 nan 8.190 nan 0.000 0.435 372 S N 0.146 115.861 115.700 0.025 0.000 2.620 372 S HA 0.419 4.889 4.470 -0.001 0.000 0.244 372 S C 0.707 175.315 174.600 0.012 0.000 1.192 372 S CA -0.632 57.574 58.200 0.010 0.000 1.148 372 S CB 0.947 64.148 63.200 0.002 0.000 1.106 372 S HN 0.740 nan 8.310 nan 0.000 0.474 373 R N 2.039 122.547 120.500 0.013 0.000 2.091 373 R HA -0.090 4.250 4.340 -0.001 0.000 0.238 373 R C 1.834 178.139 176.300 0.009 0.000 1.136 373 R CA 1.863 57.971 56.100 0.014 0.000 0.959 373 R CB -0.519 29.791 30.300 0.016 0.000 0.856 373 R HN 0.560 nan 8.270 nan 0.000 0.437 374 V N 0.412 120.328 119.914 0.003 0.000 2.392 374 V HA -0.186 3.933 4.120 -0.001 0.000 0.249 374 V C 1.718 177.812 176.094 -0.001 0.000 1.059 374 V CA 1.651 63.951 62.300 -0.000 0.000 1.051 374 V CB -1.256 30.563 31.823 -0.007 0.000 0.658 374 V HN 0.764 nan 8.190 nan 0.000 0.455 375 G N 0.041 108.841 108.800 0.000 0.000 2.581 375 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.291 375 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.291 375 G C 0.955 175.853 174.900 -0.003 0.000 1.277 375 G CA 0.480 45.581 45.100 0.001 0.000 0.959 375 G HN 0.387 nan 8.290 nan 0.000 0.554 376 S N 0.641 116.341 115.700 -0.001 0.000 2.440 376 S HA 0.015 4.485 4.470 -0.001 0.000 0.238 376 S C 2.686 177.282 174.600 -0.007 0.000 1.010 376 S CA 1.842 60.040 58.200 -0.003 0.000 0.972 376 S CB -0.570 62.630 63.200 -0.000 0.000 0.774 376 S HN 1.681 nan 8.310 nan 0.000 0.501 377 A N 0.478 123.295 122.820 -0.006 0.000 2.245 377 A HA 0.128 4.448 4.320 -0.001 0.000 0.217 377 A C 1.809 179.384 177.584 -0.016 0.000 1.171 377 A CA 1.518 53.550 52.037 -0.008 0.000 0.688 377 A CB -0.439 18.558 19.000 -0.005 0.000 0.781 377 A HN 0.537 nan 8.150 nan 0.000 0.479 378 A N -1.872 120.936 122.820 -0.019 0.000 2.508 378 A HA 0.346 4.665 4.320 -0.001 0.000 0.250 378 A C 0.724 178.289 177.584 -0.032 0.000 1.208 378 A CA -0.266 51.753 52.037 -0.030 0.000 0.960 378 A CB 0.200 19.181 19.000 -0.032 0.000 1.099 378 A HN 0.529 nan 8.150 nan 0.000 0.542 379 Q N 0.760 120.548 119.800 -0.020 0.000 2.260 379 Q HA 0.434 4.773 4.340 -0.001 0.000 0.238 379 Q C -0.333 175.657 176.000 -0.017 0.000 0.948 379 Q CA -0.273 55.520 55.803 -0.016 0.000 0.895 379 Q CB 1.057 29.791 28.738 -0.007 0.000 1.218 379 Q HN 0.436 nan 8.270 nan 0.000 0.470 380 T N -0.588 113.957 114.554 -0.014 0.000 2.874 380 T HA 0.192 4.541 4.350 -0.001 0.000 0.281 380 T C 0.846 175.544 174.700 -0.004 0.000 0.994 380 T CA -0.759 61.334 62.100 -0.013 0.000 1.015 380 T CB 1.193 70.055 68.868 -0.010 0.000 1.028 380 T HN 0.613 nan 8.240 nan 0.000 0.523 381 R N 0.322 120.820 120.500 -0.002 0.000 2.148 381 R HA -0.025 4.314 4.340 -0.001 0.000 0.227 381 R C 2.367 178.673 176.300 0.010 0.000 1.103 381 R CA 1.129 57.231 56.100 0.003 0.000 0.983 381 R CB -0.699 29.603 30.300 0.003 0.000 0.874 381 R HN 0.794 nan 8.270 nan 0.000 0.451 382 A N 0.950 123.775 122.820 0.009 0.000 1.858 382 A HA -0.232 4.087 4.320 -0.001 0.000 0.216 382 A C 2.065 179.663 177.584 0.023 0.000 1.190 382 A CA 1.638 53.683 52.037 0.014 0.000 0.617 382 A CB -0.541 18.464 19.000 0.008 0.000 0.827 382 A HN 0.414 nan 8.150 nan 0.000 0.443 383 M N 0.145 119.756 119.600 0.018 0.000 2.067 383 M HA -0.119 4.361 4.480 -0.001 0.000 0.260 383 M C 1.864 178.178 176.300 0.022 0.000 1.069 383 M CA 2.008 57.321 55.300 0.022 0.000 1.117 383 M CB -0.552 32.057 32.600 0.014 0.000 1.334 383 M HN 0.372 nan 8.290 nan 0.000 0.407 384 K N -0.514 119.895 120.400 0.015 0.000 2.074 384 K HA -0.284 4.035 4.320 -0.001 0.000 0.209 384 K C 2.161 178.773 176.600 0.020 0.000 1.048 384 K CA 2.080 58.376 56.287 0.014 0.000 0.926 384 K CB -0.481 32.025 32.500 0.009 0.000 0.713 384 K HN 0.574 nan 8.250 nan 0.000 0.444 385 Q N 0.576 120.392 119.800 0.027 0.000 2.248 385 Q HA -0.187 4.152 4.340 -0.001 0.000 0.208 385 Q C 1.709 177.737 176.000 0.048 0.000 0.984 385 Q CA 1.795 57.621 55.803 0.038 0.000 0.875 385 Q CB 0.193 28.959 28.738 0.046 0.000 0.910 385 Q HN 0.340 nan 8.270 nan 0.000 0.433 386 V N -4.475 115.467 119.914 0.047 0.000 2.996 386 V HA 0.291 4.410 4.120 -0.001 0.000 0.235 386 V C 2.077 178.186 176.094 0.024 0.000 1.205 386 V CA 0.518 62.847 62.300 0.048 0.000 1.225 386 V CB -1.107 30.764 31.823 0.079 0.000 0.995 386 V HN 0.199 nan 8.190 nan 0.000 0.484 387 A N 2.006 124.840 122.820 0.023 0.000 1.915 387 A HA -0.198 4.122 4.320 -0.001 0.000 0.220 387 A C 2.340 179.928 177.584 0.008 0.000 1.198 387 A CA 2.960 55.005 52.037 0.014 0.000 0.647 387 A CB -1.611 17.398 19.000 0.014 0.000 0.825 387 A HN 0.778 nan 8.150 nan 0.000 0.456 388 G N -1.019 107.785 108.800 0.007 0.000 2.446 388 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.217 388 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.217 388 G C 1.703 176.601 174.900 -0.004 0.000 1.168 388 G CA 2.200 47.302 45.100 0.003 0.000 0.771 388 G HN 0.760 nan 8.290 nan 0.000 0.551 389 T N -1.679 112.869 114.554 -0.009 0.000 3.014 389 T HA 0.125 4.474 4.350 -0.001 0.000 0.263 389 T C 2.289 176.975 174.700 -0.025 0.000 1.078 389 T CA 1.015 63.102 62.100 -0.021 0.000 1.135 389 T CB -0.082 68.766 68.868 -0.034 0.000 0.895 389 T HN 0.195 nan 8.240 nan 0.000 0.480 390 M N 1.227 120.814 119.600 -0.021 0.000 2.067 390 M HA -0.071 4.408 4.480 -0.001 0.000 0.260 390 M C 2.548 178.843 176.300 -0.010 0.000 1.069 390 M CA 1.765 57.051 55.300 -0.022 0.000 1.117 390 M CB -0.283 32.309 32.600 -0.015 0.000 1.334 390 M HN 0.201 nan 8.290 nan 0.000 0.407 391 K N 0.165 120.564 120.400 -0.001 0.000 2.089 391 K HA -0.256 4.063 4.320 -0.001 0.000 0.210 391 K C 1.866 178.470 176.600 0.006 0.000 1.048 391 K CA 1.803 58.093 56.287 0.007 0.000 0.926 391 K CB -0.330 32.174 32.500 0.008 0.000 0.714 391 K HN 0.318 nan 8.250 nan 0.000 0.448 392 L N 1.729 122.952 121.223 -0.001 0.000 2.072 392 L HA -0.123 4.216 4.340 -0.001 0.000 0.205 392 L C 1.977 178.847 176.870 -0.000 0.000 1.079 392 L CA 1.671 56.511 54.840 -0.002 0.000 0.752 392 L CB -0.223 41.832 42.059 -0.007 0.000 0.906 392 L HN 0.244 nan 8.230 nan 0.000 0.436 393 E N -0.763 119.432 120.200 -0.009 0.000 2.152 393 E HA -0.194 4.155 4.350 -0.001 0.000 0.192 393 E C 2.305 178.921 176.600 0.027 0.000 0.983 393 E CA 1.015 57.410 56.400 -0.008 0.000 0.818 393 E CB -0.319 29.356 29.700 -0.042 0.000 0.758 393 E HN 0.489 nan 8.360 nan 0.000 0.467 394 L N 1.149 122.389 121.223 0.028 0.000 1.994 394 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 394 L C 2.762 179.690 176.870 0.096 0.000 1.071 394 L CA 1.153 56.042 54.840 0.083 0.000 0.745 394 L CB -0.608 41.486 42.059 0.059 0.000 0.892 394 L HN 0.141 nan 8.230 nan 0.000 0.431 395 A N -0.521 122.325 122.820 0.044 0.000 1.948 395 A HA -0.302 4.017 4.320 -0.001 0.000 0.220 395 A C 2.172 179.763 177.584 0.012 0.000 1.177 395 A CA 1.935 53.983 52.037 0.019 0.000 0.636 395 A CB -0.557 18.447 19.000 0.007 0.000 0.815 395 A HN 0.541 nan 8.150 nan 0.000 0.449 396 Q N -2.287 117.529 119.800 0.027 0.000 2.079 396 Q HA -0.182 4.157 4.340 -0.001 0.000 0.200 396 Q C 2.071 178.099 176.000 0.046 0.000 0.974 396 Q CA 1.648 57.463 55.803 0.020 0.000 0.840 396 Q CB -0.350 28.400 28.738 0.019 0.000 0.898 396 Q HN 0.852 nan 8.270 nan 0.000 0.430 397 Y N 1.612 121.876 120.300 -0.060 0.000 2.114 397 Y HA -0.200 4.349 4.550 -0.001 0.000 0.284 397 Y C 2.095 177.941 175.900 -0.090 0.000 1.143 397 Y CA 1.558 59.617 58.100 -0.067 0.000 1.135 397 Y CB -0.234 38.196 38.460 -0.050 0.000 0.980 397 Y HN -0.117 nan 8.280 nan 0.000 0.499 398 R N 0.334 120.760 120.500 -0.124 0.000 2.154 398 R HA -0.217 4.122 4.340 -0.001 0.000 0.248 398 R C 2.275 178.418 176.300 -0.262 0.000 1.155 398 R CA 1.885 57.832 56.100 -0.255 0.000 0.979 398 R CB -0.266 29.966 30.300 -0.113 0.000 0.869 398 R HN 0.548 nan 8.270 nan 0.000 0.452 399 E N -0.445 119.638 120.200 -0.195 0.000 2.072 399 E HA -0.149 4.201 4.350 -0.001 0.000 0.191 399 E C 1.783 178.139 176.600 -0.406 0.000 0.985 399 E CA 1.403 57.666 56.400 -0.228 0.000 0.801 399 E CB 0.207 29.819 29.700 -0.147 0.000 0.750 399 E HN 0.166 nan 8.360 nan 0.000 0.452 400 V N 0.629 120.291 119.914 -0.420 0.000 2.992 400 V HA -0.015 4.104 4.120 -0.001 0.000 0.250 400 V C 2.142 177.908 176.094 -0.545 0.000 1.090 400 V CA 0.867 62.790 62.300 -0.629 0.000 1.101 400 V CB -0.053 31.611 31.823 -0.266 0.000 0.743 400 V HN 0.227 nan 8.190 nan 0.000 0.468 401 A N 1.300 123.811 122.820 -0.514 0.000 1.916 401 A HA -0.409 3.910 4.320 -0.001 0.000 0.224 401 A C 2.435 179.891 177.584 -0.214 0.000 1.366 401 A CA 3.119 54.843 52.037 -0.522 0.000 0.692 401 A CB -1.236 17.283 19.000 -0.802 0.000 0.841 401 A HN 0.723 nan 8.150 nan 0.000 0.480 402 A N -1.731 120.964 122.820 -0.208 0.000 1.997 402 A HA -0.089 4.230 4.320 -0.001 0.000 0.221 402 A C 1.925 179.648 177.584 0.232 0.000 1.172 402 A CA 1.982 54.016 52.037 -0.005 0.000 0.645 402 A CB -0.761 18.230 19.000 -0.016 0.000 0.813 402 A HN 0.542 nan 8.150 nan 0.000 0.454 403 F N -0.054 119.907 119.950 0.018 0.000 2.146 403 F HA -0.048 4.478 4.527 -0.001 0.000 0.298 403 F C 2.771 178.635 175.800 0.106 0.000 1.096 403 F CA -0.006 58.031 58.000 0.062 0.000 1.275 403 F CB -1.534 37.489 39.000 0.039 0.000 1.008 403 F HN 0.326 nan 8.300 nan 0.000 0.480 404 A N 0.559 123.548 122.820 0.282 0.000 1.883 404 A HA -0.376 3.943 4.320 -0.001 0.000 0.226 404 A C 2.010 179.689 177.584 0.160 0.000 1.512 404 A CA 2.654 54.806 52.037 0.191 0.000 0.738 404 A CB -1.466 17.625 19.000 0.152 0.000 0.848 404 A HN 0.498 nan 8.150 nan 0.000 0.477 405 Q N -2.192 117.703 119.800 0.158 0.000 2.585 405 Q HA -0.062 4.277 4.340 -0.001 0.000 0.219 405 Q C 0.186 176.133 176.000 -0.088 0.000 0.984 405 Q CA 1.059 56.897 55.803 0.059 0.000 0.915 405 Q CB -0.204 28.596 28.738 0.103 0.000 0.967 405 Q HN 0.757 nan 8.270 nan 0.000 0.530 406 F N -2.817 117.161 119.950 0.047 0.000 3.022 406 F HA 0.243 4.769 4.527 -0.001 0.000 0.351 406 F C 1.150 176.949 175.800 -0.002 0.000 1.170 406 F CA -0.541 57.468 58.000 0.016 0.000 1.066 406 F CB 0.824 39.826 39.000 0.003 0.000 1.297 406 F HN -0.116 nan 8.300 nan 0.000 0.519 407 G N 0.344 109.234 108.800 0.150 0.000 2.991 407 G HA2 0.053 4.012 3.960 -0.001 0.000 0.262 407 G HA3 0.053 4.012 3.960 -0.001 0.000 0.262 407 G C 0.899 175.828 174.900 0.048 0.000 0.765 407 G CA 0.400 45.556 45.100 0.093 0.000 2.051 407 G HN 0.228 nan 8.290 nan 0.000 0.602 408 S N -0.143 115.581 115.700 0.041 0.000 2.528 408 S HA -0.055 4.415 4.470 -0.001 0.000 0.244 408 S C 0.745 175.352 174.600 0.012 0.000 0.982 408 S CA 1.079 59.291 58.200 0.020 0.000 0.953 408 S CB 0.103 63.319 63.200 0.027 0.000 0.754 408 S HN 0.637 nan 8.310 nan 0.000 0.529 409 D N -0.183 120.223 120.400 0.011 0.000 4.135 409 D HA 0.147 4.786 4.640 -0.001 0.000 0.227 409 D C -1.005 175.299 176.300 0.007 0.000 1.501 409 D CA -0.102 53.902 54.000 0.007 0.000 1.027 409 D CB -0.171 40.628 40.800 -0.000 0.000 1.320 409 D HN 0.097 nan 8.370 nan 0.000 0.855 410 L N 0.810 122.046 121.223 0.023 0.000 2.375 410 L HA 0.484 4.823 4.340 -0.001 0.000 0.271 410 L C 0.767 177.657 176.870 0.033 0.000 1.107 410 L CA -1.071 53.789 54.840 0.034 0.000 0.806 410 L CB 0.491 42.595 42.059 0.076 0.000 1.146 410 L HN 0.217 nan 8.230 nan 0.000 0.447 411 D N 1.076 121.496 120.400 0.033 0.000 2.390 411 D HA 0.113 4.752 4.640 -0.001 0.000 0.236 411 D C 0.840 177.158 176.300 0.031 0.000 1.189 411 D CA -0.011 54.005 54.000 0.027 0.000 0.887 411 D CB 0.970 41.786 40.800 0.027 0.000 1.198 411 D HN 0.610 nan 8.370 nan 0.000 0.444 412 A N 1.161 123.993 122.820 0.020 0.000 2.239 412 A HA 0.210 4.529 4.320 -0.001 0.000 0.209 412 A C 2.024 179.618 177.584 0.017 0.000 1.171 412 A CA 1.061 53.108 52.037 0.016 0.000 0.768 412 A CB -0.945 18.060 19.000 0.007 0.000 0.790 412 A HN 0.671 nan 8.150 nan 0.000 0.478 413 A N 0.139 122.973 122.820 0.022 0.000 1.832 413 A HA -0.081 4.238 4.320 -0.001 0.000 0.214 413 A C 2.484 180.086 177.584 0.030 0.000 1.200 413 A CA 2.330 54.379 52.037 0.020 0.000 0.610 413 A CB -1.345 17.668 19.000 0.022 0.000 0.842 413 A HN 0.744 nan 8.150 nan 0.000 0.444 414 T N -2.294 112.291 114.554 0.052 0.000 2.904 414 T HA -0.180 4.169 4.350 -0.001 0.000 0.267 414 T C 1.918 176.665 174.700 0.077 0.000 1.059 414 T CA 1.534 63.678 62.100 0.075 0.000 1.137 414 T CB -0.425 68.517 68.868 0.122 0.000 0.879 414 T HN 0.534 nan 8.240 nan 0.000 0.467 415 Q N 0.263 120.102 119.800 0.065 0.000 2.291 415 Q HA -0.219 4.120 4.340 -0.001 0.000 0.206 415 Q C 2.401 178.421 176.000 0.032 0.000 0.976 415 Q CA 1.565 57.402 55.803 0.057 0.000 0.875 415 Q CB -0.153 28.610 28.738 0.042 0.000 0.927 415 Q HN 0.647 nan 8.270 nan 0.000 0.450 416 Q N 0.813 120.624 119.800 0.019 0.000 2.020 416 Q HA -0.141 4.199 4.340 -0.001 0.000 0.198 416 Q C 2.121 178.114 176.000 -0.011 0.000 0.974 416 Q CA 1.979 57.777 55.803 -0.007 0.000 0.829 416 Q CB -0.527 28.201 28.738 -0.016 0.000 0.894 416 Q HN 0.569 nan 8.270 nan 0.000 0.433 417 L N -0.992 120.240 121.223 0.014 0.000 2.187 417 L HA -0.097 4.242 4.340 -0.001 0.000 0.213 417 L C 2.302 179.203 176.870 0.052 0.000 1.100 417 L CA 1.039 55.894 54.840 0.025 0.000 0.765 417 L CB -0.904 41.186 42.059 0.051 0.000 0.904 417 L HN 0.135 nan 8.230 nan 0.000 0.437 418 L N -0.096 121.182 121.223 0.093 0.000 2.056 418 L HA -0.134 4.205 4.340 -0.001 0.000 0.207 418 L C 2.823 179.661 176.870 -0.054 0.000 1.078 418 L CA 1.133 56.059 54.840 0.142 0.000 0.749 418 L CB -0.574 41.586 42.059 0.167 0.000 0.901 418 L HN 0.219 nan 8.230 nan 0.000 0.433 419 S N -0.653 115.014 115.700 -0.055 0.000 2.348 419 S HA -0.145 4.325 4.470 -0.001 0.000 0.221 419 S C 2.132 176.627 174.600 -0.175 0.000 1.033 419 S CA 0.932 59.071 58.200 -0.101 0.000 1.010 419 S CB -0.194 62.963 63.200 -0.071 0.000 0.891 419 S HN 0.242 nan 8.310 nan 0.000 0.442 420 R N 1.214 121.616 120.500 -0.163 0.000 2.103 420 R HA -0.055 4.284 4.340 -0.001 0.000 0.242 420 R C 2.394 178.507 176.300 -0.312 0.000 1.142 420 R CA 1.555 57.539 56.100 -0.193 0.000 0.960 420 R CB -1.592 28.621 30.300 -0.145 0.000 0.858 420 R HN 0.490 nan 8.270 nan 0.000 0.439 421 G N 0.194 108.701 108.800 -0.487 0.000 2.553 421 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.218 421 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.218 421 G C 1.473 175.738 174.900 -1.058 0.000 1.195 421 G CA 1.964 46.361 45.100 -1.172 0.000 0.779 421 G HN 0.356 nan 8.290 nan 0.000 0.577 422 V N -1.119 118.364 119.914 -0.719 0.000 2.515 422 V HA 0.040 4.159 4.120 -0.001 0.000 0.250 422 V C 2.679 178.645 176.094 -0.214 0.000 1.058 422 V CA 2.139 64.237 62.300 -0.337 0.000 1.064 422 V CB -0.558 31.176 31.823 -0.149 0.000 0.675 422 V HN 0.194 nan 8.190 nan 0.000 0.461 423 R N 0.389 120.759 120.500 -0.216 0.000 2.057 423 R HA 0.245 4.584 4.340 -0.001 0.000 0.229 423 R C 2.331 178.538 176.300 -0.154 0.000 1.136 423 R CA 1.751 57.752 56.100 -0.166 0.000 0.952 423 R CB -0.898 29.297 30.300 -0.175 0.000 0.848 423 R HN 0.489 nan 8.270 nan 0.000 0.430 424 L N -0.025 121.090 121.223 -0.180 0.000 2.043 424 L HA -0.254 4.085 4.340 -0.001 0.000 0.212 424 L C 2.069 178.882 176.870 -0.095 0.000 1.075 424 L CA 1.721 56.483 54.840 -0.131 0.000 0.752 424 L CB -0.772 41.208 42.059 -0.131 0.000 0.891 424 L HN 0.314 nan 8.230 nan 0.000 0.432 425 T N -1.087 113.397 114.554 -0.115 0.000 2.788 425 T HA -0.160 4.189 4.350 -0.001 0.000 0.268 425 T C 1.740 176.420 174.700 -0.033 0.000 1.044 425 T CA 1.105 63.176 62.100 -0.048 0.000 1.139 425 T CB -0.128 68.724 68.868 -0.027 0.000 0.867 425 T HN 0.306 nan 8.240 nan 0.000 0.454 426 E N 0.878 121.047 120.200 -0.051 0.000 2.268 426 E HA 0.053 4.402 4.350 -0.001 0.000 0.195 426 E C 2.121 178.708 176.600 -0.022 0.000 0.995 426 E CA 0.474 56.856 56.400 -0.031 0.000 0.836 426 E CB -0.190 29.487 29.700 -0.038 0.000 0.763 426 E HN 0.493 nan 8.360 nan 0.000 0.491 427 L N 0.055 121.258 121.223 -0.032 0.000 2.313 427 L HA -0.035 4.304 4.340 -0.001 0.000 0.214 427 L C 2.167 179.036 176.870 -0.000 0.000 1.119 427 L CA 0.353 55.184 54.840 -0.014 0.000 0.809 427 L CB -0.156 41.887 42.059 -0.026 0.000 0.933 427 L HN 0.076 nan 8.230 nan 0.000 0.449 428 L N -0.689 120.531 121.223 -0.005 0.000 2.478 428 L HA -0.024 4.316 4.340 -0.001 0.000 0.223 428 L C 1.116 177.988 176.870 0.003 0.000 1.140 428 L CA 0.329 55.171 54.840 0.003 0.000 0.842 428 L CB -0.330 41.733 42.059 0.007 0.000 0.953 428 L HN 0.104 nan 8.230 nan 0.000 0.452 429 K N 0.819 121.218 120.400 -0.002 0.000 2.336 429 K HA 0.206 4.525 4.320 -0.001 0.000 0.262 429 K C -0.123 176.474 176.600 -0.005 0.000 0.992 429 K CA 0.422 56.704 56.287 -0.008 0.000 0.927 429 K CB 0.452 32.946 32.500 -0.011 0.000 0.956 429 K HN 0.037 nan 8.250 nan 0.000 0.495 430 Q N -0.527 119.264 119.800 -0.015 0.000 2.503 430 Q HA 0.210 4.549 4.340 -0.001 0.000 0.268 430 Q C -0.928 175.060 176.000 -0.021 0.000 0.982 430 Q CA -0.539 55.258 55.803 -0.010 0.000 0.907 430 Q CB 1.964 30.696 28.738 -0.010 0.000 1.467 430 Q HN 0.849 nan 8.270 nan 0.000 0.394 431 G N 1.064 109.860 108.800 -0.008 0.000 2.562 431 G HA2 0.341 4.300 3.960 -0.001 0.000 0.275 431 G HA3 0.341 4.300 3.960 -0.001 0.000 0.275 431 G C -0.533 174.346 174.900 -0.035 0.000 1.196 431 G CA -0.064 45.034 45.100 -0.003 0.000 0.908 431 G HN 0.488 nan 8.290 nan 0.000 0.524 432 Q N -1.539 118.220 119.800 -0.069 0.000 2.256 432 Q HA 0.349 4.688 4.340 -0.001 0.000 0.232 432 Q C -0.335 175.546 176.000 -0.198 0.000 0.965 432 Q CA -0.482 55.141 55.803 -0.301 0.000 0.908 432 Q CB 0.515 28.931 28.738 -0.536 0.000 1.209 432 Q HN 0.566 nan 8.270 nan 0.000 0.489 433 Y N -1.402 118.903 120.300 0.009 0.000 4.538 433 Y HA -0.290 4.260 4.550 -0.001 0.000 0.225 433 Y C -0.177 175.724 175.900 0.001 0.000 1.074 433 Y CA 0.904 59.005 58.100 0.002 0.000 1.942 433 Y CB -2.450 36.009 38.460 -0.002 0.000 1.618 433 Y HN 0.403 nan 8.280 nan 0.000 0.642 434 S N -1.502 114.241 115.700 0.071 0.000 2.317 434 S HA 0.536 5.005 4.470 -0.001 0.000 0.144 434 S C -2.643 171.967 174.600 0.017 0.000 1.660 434 S CA -1.206 57.024 58.200 0.051 0.000 1.273 434 S CB 1.723 64.955 63.200 0.053 0.000 1.330 434 S HN 0.025 nan 8.310 nan 0.000 0.395 435 P HA 0.309 nan 4.420 nan 0.000 0.276 435 P C -0.054 177.244 177.300 -0.002 0.000 1.230 435 P CA -0.286 62.817 63.100 0.005 0.000 0.776 435 P CB 0.607 32.315 31.700 0.014 0.000 0.888 436 M N 1.029 120.629 119.600 -0.000 0.000 2.528 436 M HA 0.713 5.192 4.480 -0.001 0.000 0.318 436 M C 0.007 176.302 176.300 -0.008 0.000 1.195 436 M CA -1.243 54.052 55.300 -0.009 0.000 1.000 436 M CB 1.423 34.021 32.600 -0.003 0.000 1.615 436 M HN 0.190 nan 8.290 nan 0.000 0.469 437 A N 1.611 124.413 122.820 -0.029 0.000 2.450 437 A HA 0.285 4.604 4.320 -0.001 0.000 0.255 437 A C 0.931 178.516 177.584 0.003 0.000 1.096 437 A CA -0.547 51.472 52.037 -0.029 0.000 0.778 437 A CB -0.061 18.900 19.000 -0.065 0.000 1.031 437 A HN 0.937 nan 8.150 nan 0.000 0.494 438 I N 1.907 122.498 120.570 0.034 0.000 2.290 438 I HA -0.296 3.873 4.170 -0.001 0.000 0.253 438 I C 1.890 178.017 176.117 0.016 0.000 1.112 438 I CA 2.221 63.541 61.300 0.033 0.000 1.377 438 I CB -0.197 37.831 38.000 0.047 0.000 1.060 438 I HN 0.842 nan 8.210 nan 0.000 0.428 439 E N -0.136 120.065 120.200 0.001 0.000 2.152 439 E HA -0.185 4.164 4.350 -0.001 0.000 0.192 439 E C 2.064 178.654 176.600 -0.018 0.000 0.983 439 E CA 1.268 57.659 56.400 -0.013 0.000 0.818 439 E CB -0.263 29.420 29.700 -0.028 0.000 0.758 439 E HN 0.572 nan 8.360 nan 0.000 0.467 440 E N 0.713 120.901 120.200 -0.020 0.000 2.107 440 E HA -0.134 4.216 4.350 -0.001 0.000 0.191 440 E C 2.046 178.659 176.600 0.021 0.000 0.982 440 E CA 0.840 57.229 56.400 -0.019 0.000 0.809 440 E CB 0.044 29.725 29.700 -0.031 0.000 0.756 440 E HN 0.299 nan 8.360 nan 0.000 0.459 441 Q N 0.194 120.009 119.800 0.024 0.000 2.046 441 Q HA -0.147 4.193 4.340 -0.001 0.000 0.200 441 Q C 2.602 178.636 176.000 0.057 0.000 0.975 441 Q CA 1.834 57.660 55.803 0.039 0.000 0.836 441 Q CB -0.322 28.434 28.738 0.031 0.000 0.896 441 Q HN 0.340 nan 8.270 nan 0.000 0.428 442 V N -0.996 118.947 119.914 0.048 0.000 2.407 442 V HA -0.158 3.961 4.120 -0.001 0.000 0.248 442 V C 2.159 178.312 176.094 0.099 0.000 1.055 442 V CA 1.789 64.129 62.300 0.067 0.000 1.049 442 V CB -1.023 30.828 31.823 0.047 0.000 0.662 442 V HN 0.295 nan 8.190 nan 0.000 0.455 443 A N 1.126 123.989 122.820 0.072 0.000 1.883 443 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 443 A C 2.561 180.298 177.584 0.256 0.000 1.186 443 A CA 3.003 55.108 52.037 0.113 0.000 0.624 443 A CB -1.110 17.932 19.000 0.070 0.000 0.822 443 A HN 1.279 nan 8.150 nan 0.000 0.444 444 V N -1.146 118.904 119.914 0.226 0.000 2.307 444 V HA -0.170 3.949 4.120 -0.001 0.000 0.245 444 V C 2.136 178.310 176.094 0.132 0.000 1.045 444 V CA 1.814 64.242 62.300 0.213 0.000 1.024 444 V CB -0.814 31.120 31.823 0.186 0.000 0.651 444 V HN 0.432 nan 8.190 nan 0.000 0.449 445 I N 0.065 120.703 120.570 0.113 0.000 2.208 445 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 445 I C 2.628 178.806 176.117 0.102 0.000 1.097 445 I CA 2.689 64.035 61.300 0.076 0.000 1.363 445 I CB -1.498 36.541 38.000 0.065 0.000 1.051 445 I HN 0.567 nan 8.210 nan 0.000 0.413 446 Y N 2.318 122.630 120.300 0.020 0.000 2.151 446 Y HA -0.311 4.238 4.550 -0.001 0.000 0.284 446 Y C 2.636 178.557 175.900 0.035 0.000 1.166 446 Y CA 1.986 60.105 58.100 0.030 0.000 1.163 446 Y CB -0.440 38.053 38.460 0.055 0.000 0.974 446 Y HN 0.135 nan 8.280 nan 0.000 0.511 447 A N 0.211 123.151 122.820 0.201 0.000 1.884 447 A HA -0.221 4.099 4.320 -0.001 0.000 0.219 447 A C 2.479 180.017 177.584 -0.076 0.000 1.197 447 A CA 2.331 54.402 52.037 0.056 0.000 0.637 447 A CB -1.740 17.177 19.000 -0.140 0.000 0.827 447 A HN 0.637 nan 8.150 nan 0.000 0.450 448 G N -1.600 107.123 108.800 -0.129 0.000 2.411 448 G HA2 0.072 4.031 3.960 -0.001 0.000 0.213 448 G HA3 0.072 4.031 3.960 -0.001 0.000 0.213 448 G C 1.502 176.286 174.900 -0.193 0.000 1.166 448 G CA 0.857 45.847 45.100 -0.182 0.000 0.802 448 G HN 0.304 nan 8.290 nan 0.000 0.533 449 V N 0.881 120.698 119.914 -0.163 0.000 2.332 449 V HA -0.136 3.984 4.120 -0.001 0.000 0.248 449 V C 2.924 178.864 176.094 -0.257 0.000 1.055 449 V CA 1.640 63.838 62.300 -0.170 0.000 1.038 449 V CB -0.288 31.469 31.823 -0.110 0.000 0.651 449 V HN 0.195 nan 8.190 nan 0.000 0.450 450 R N -0.424 119.846 120.500 -0.383 0.000 2.280 450 R HA 0.056 4.396 4.340 -0.001 0.000 0.207 450 R C 1.801 177.744 176.300 -0.595 0.000 1.043 450 R CA 0.904 56.677 56.100 -0.544 0.000 1.006 450 R CB -0.593 29.222 30.300 -0.808 0.000 0.885 450 R HN 0.679 nan 8.270 nan 0.000 0.467 451 G N -0.769 107.748 108.800 -0.472 0.000 2.201 451 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.212 451 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.212 451 G C 0.645 175.299 174.900 -0.409 0.000 0.994 451 G CA 0.134 44.985 45.100 -0.415 0.000 0.644 451 G HN 0.280 nan 8.290 nan 0.000 0.508 452 Y N 0.855 121.025 120.300 -0.217 0.000 2.241 452 Y HA 0.041 4.590 4.550 -0.001 0.000 0.286 452 Y C 2.713 178.447 175.900 -0.277 0.000 1.166 452 Y CA 1.804 59.777 58.100 -0.212 0.000 1.203 452 Y CB -0.319 38.020 38.460 -0.202 0.000 0.977 452 Y HN 0.409 nan 8.280 nan 0.000 0.529 453 L N -0.679 120.407 121.223 -0.227 0.000 2.611 453 L HA 0.086 4.425 4.340 -0.001 0.000 0.229 453 L C 0.931 177.678 176.870 -0.206 0.000 1.137 453 L CA 0.019 54.666 54.840 -0.322 0.000 0.901 453 L CB -0.256 41.530 42.059 -0.455 0.000 1.098 453 L HN 0.009 nan 8.230 nan 0.000 0.456 454 D N 1.542 121.842 120.400 -0.167 0.000 2.178 454 D HA -0.152 4.487 4.640 -0.001 0.000 0.201 454 D C 1.733 177.978 176.300 -0.092 0.000 0.980 454 D CA 1.344 55.264 54.000 -0.133 0.000 0.842 454 D CB 0.084 40.804 40.800 -0.133 0.000 0.948 454 D HN 0.314 nan 8.370 nan 0.000 0.472 455 K N -0.538 119.819 120.400 -0.072 0.000 2.374 455 K HA 0.141 4.461 4.320 -0.001 0.000 0.196 455 K C 0.360 176.947 176.600 -0.021 0.000 1.023 455 K CA -0.388 55.878 56.287 -0.035 0.000 1.103 455 K CB 0.567 33.060 32.500 -0.013 0.000 0.848 455 K HN 0.003 nan 8.250 nan 0.000 0.528 456 L N 1.527 122.719 121.223 -0.051 0.000 2.453 456 L HA 0.115 4.454 4.340 -0.001 0.000 0.261 456 L C 0.044 176.905 176.870 -0.015 0.000 1.179 456 L CA 0.075 54.900 54.840 -0.026 0.000 0.813 456 L CB 0.705 42.688 42.059 -0.127 0.000 1.110 456 L HN 0.035 nan 8.230 nan 0.000 0.466 457 E N 3.946 124.167 120.200 0.035 0.000 2.259 457 E HA 0.132 4.481 4.350 -0.001 0.000 0.281 457 E C -1.782 174.829 176.600 0.018 0.000 1.037 457 E CA -1.567 54.852 56.400 0.031 0.000 0.854 457 E CB 1.347 31.084 29.700 0.062 0.000 1.051 457 E HN 0.472 nan 8.360 nan 0.000 0.409 458 P HA -0.266 nan 4.420 nan 0.000 0.217 458 P C 1.393 178.704 177.300 0.018 0.000 1.158 458 P CA 1.824 64.917 63.100 -0.011 0.000 0.887 458 P CB 0.074 31.767 31.700 -0.011 0.000 0.792 459 S N -1.475 114.246 115.700 0.035 0.000 2.465 459 S HA -0.159 4.310 4.470 -0.001 0.000 0.241 459 S C 1.570 176.222 174.600 0.087 0.000 1.000 459 S CA 1.367 59.598 58.200 0.053 0.000 0.964 459 S CB -0.739 62.492 63.200 0.051 0.000 0.763 459 S HN 0.109 nan 8.310 nan 0.000 0.512 460 K N 0.645 121.114 120.400 0.114 0.000 2.354 460 K HA 0.430 4.749 4.320 -0.001 0.000 0.194 460 K C 1.732 178.429 176.600 0.162 0.000 1.045 460 K CA 0.149 56.556 56.287 0.201 0.000 1.026 460 K CB -0.208 32.498 32.500 0.344 0.000 0.866 460 K HN 0.289 nan 8.250 nan 0.000 0.530 461 I N 1.284 121.892 120.570 0.063 0.000 2.185 461 I HA -0.325 3.845 4.170 -0.001 0.000 0.246 461 I C 1.367 177.541 176.117 0.096 0.000 1.088 461 I CA 1.685 62.999 61.300 0.023 0.000 1.347 461 I CB -1.511 36.460 38.000 -0.048 0.000 1.041 461 I HN 0.158 nan 8.210 nan 0.000 0.415 462 T N 0.617 115.223 114.554 0.087 0.000 2.788 462 T HA -0.202 4.147 4.350 -0.001 0.000 0.268 462 T C 1.987 176.759 174.700 0.121 0.000 1.044 462 T CA 1.361 63.514 62.100 0.088 0.000 1.139 462 T CB -0.142 68.766 68.868 0.067 0.000 0.867 462 T HN 0.348 nan 8.240 nan 0.000 0.454 463 K N -0.025 120.475 120.400 0.166 0.000 2.116 463 K HA -0.010 4.309 4.320 -0.001 0.000 0.203 463 K C 2.080 178.788 176.600 0.181 0.000 1.052 463 K CA 0.660 57.077 56.287 0.218 0.000 0.952 463 K CB -0.240 32.464 32.500 0.339 0.000 0.729 463 K HN 0.328 nan 8.250 nan 0.000 0.446 464 F N 2.541 122.423 119.950 -0.113 0.000 2.026 464 F HA -0.233 4.293 4.527 -0.001 0.000 0.296 464 F C 2.372 178.096 175.800 -0.128 0.000 1.133 464 F CA 2.146 59.896 58.000 -0.417 0.000 1.188 464 F CB -0.493 38.199 39.000 -0.514 0.000 0.968 464 F HN 0.140 nan 8.300 nan 0.000 0.476 465 E N 0.270 120.604 120.200 0.223 0.000 2.065 465 E HA -0.357 3.992 4.350 -0.001 0.000 0.201 465 E C 2.225 178.851 176.600 0.043 0.000 1.016 465 E CA 1.611 58.118 56.400 0.178 0.000 0.818 465 E CB -0.579 29.226 29.700 0.175 0.000 0.749 465 E HN 0.449 nan 8.360 nan 0.000 0.453 466 N N 0.226 118.955 118.700 0.048 0.000 2.037 466 N HA -0.222 4.517 4.740 -0.001 0.000 0.196 466 N C 1.710 177.228 175.510 0.014 0.000 1.034 466 N CA 2.039 55.112 53.050 0.038 0.000 0.861 466 N CB -0.357 38.172 38.487 0.070 0.000 1.039 466 N HN 0.285 nan 8.380 nan 0.000 0.427 467 A N -0.168 122.673 122.820 0.035 0.000 1.897 467 A HA -0.066 4.253 4.320 -0.001 0.000 0.215 467 A C 2.161 179.726 177.584 -0.031 0.000 1.181 467 A CA 0.845 52.950 52.037 0.112 0.000 0.620 467 A CB -0.927 18.256 19.000 0.306 0.000 0.821 467 A HN 0.429 nan 8.150 nan 0.000 0.443 468 F N 0.202 119.788 119.950 -0.607 0.000 2.134 468 F HA -0.129 4.397 4.527 -0.001 0.000 0.299 468 F C 1.729 177.209 175.800 -0.534 0.000 1.097 468 F CA 1.723 58.998 58.000 -1.209 0.000 1.264 468 F CB -0.283 37.829 39.000 -1.480 0.000 1.001 468 F HN 0.179 nan 8.300 nan 0.000 0.479 469 L N -0.181 120.808 121.223 -0.390 0.000 2.217 469 L HA -0.076 4.263 4.340 -0.001 0.000 0.211 469 L C 2.327 179.040 176.870 -0.261 0.000 1.107 469 L CA 1.573 56.206 54.840 -0.346 0.000 0.783 469 L CB -0.911 41.085 42.059 -0.106 0.000 0.919 469 L HN 0.116 nan 8.230 nan 0.000 0.442 470 S N -1.622 113.986 115.700 -0.154 0.000 2.387 470 S HA -0.208 4.261 4.470 -0.001 0.000 0.226 470 S C 1.875 176.451 174.600 -0.040 0.000 1.026 470 S CA 1.173 59.338 58.200 -0.059 0.000 0.972 470 S CB -0.457 62.755 63.200 0.019 0.000 0.814 470 S HN 0.661 nan 8.310 nan 0.000 0.477 471 H N 2.052 121.022 119.070 -0.167 0.000 2.293 471 H HA -0.045 4.510 4.556 -0.001 0.000 0.300 471 H C 2.161 177.400 175.328 -0.147 0.000 1.082 471 H CA 2.074 58.062 56.048 -0.099 0.000 1.308 471 H CB -0.699 29.063 29.762 -0.000 0.000 1.375 471 H HN 0.217 nan 8.280 nan 0.000 0.495 472 V N -0.830 118.737 119.914 -0.579 0.000 2.809 472 V HA -0.047 4.072 4.120 -0.001 0.000 0.256 472 V C 2.305 178.233 176.094 -0.275 0.000 1.080 472 V CA 1.764 63.767 62.300 -0.495 0.000 1.102 472 V CB -0.761 30.670 31.823 -0.652 0.000 0.705 472 V HN 0.434 nan 8.190 nan 0.000 0.475 473 I N 0.867 121.296 120.570 -0.235 0.000 2.761 473 I HA -0.093 4.076 4.170 -0.001 0.000 0.261 473 I C 2.617 178.664 176.117 -0.117 0.000 1.198 473 I CA 1.388 62.599 61.300 -0.149 0.000 1.482 473 I CB 0.040 37.967 38.000 -0.122 0.000 1.100 473 I HN 0.547 nan 8.210 nan 0.000 0.445 474 S N 0.066 115.696 115.700 -0.117 0.000 2.324 474 S HA -0.085 4.384 4.470 -0.001 0.000 0.210 474 S C 1.916 176.449 174.600 -0.113 0.000 1.027 474 S CA 0.509 58.663 58.200 -0.077 0.000 0.945 474 S CB -0.095 63.098 63.200 -0.012 0.000 0.908 474 S HN 0.284 nan 8.310 nan 0.000 0.496 475 Q N -0.008 119.691 119.800 -0.168 0.000 2.096 475 Q HA 0.018 4.357 4.340 -0.001 0.000 0.197 475 Q C 0.641 176.373 176.000 -0.447 0.000 0.964 475 Q CA 1.129 56.765 55.803 -0.278 0.000 0.838 475 Q CB -0.318 28.237 28.738 -0.305 0.000 0.906 475 Q HN 0.746 nan 8.270 nan 0.000 0.444 476 H N 0.608 119.510 119.070 -0.280 0.000 2.591 476 H HA 0.170 4.725 4.556 -0.001 0.000 0.302 476 H C 0.811 176.036 175.328 -0.172 0.000 1.163 476 H CA -0.105 55.811 56.048 -0.221 0.000 1.049 476 H CB 0.238 29.832 29.762 -0.278 0.000 1.543 476 H HN 0.142 nan 8.280 nan 0.000 0.523 477 Q N 0.083 119.831 119.800 -0.087 0.000 2.541 477 Q HA 0.004 4.343 4.340 -0.001 0.000 0.215 477 Q C 1.609 177.576 176.000 -0.056 0.000 0.977 477 Q CA 0.659 56.418 55.803 -0.072 0.000 0.934 477 Q CB 0.343 29.035 28.738 -0.077 0.000 0.988 477 Q HN 0.609 nan 8.270 nan 0.000 0.521 478 A N 0.092 122.884 122.820 -0.047 0.000 2.044 478 A HA 0.036 4.355 4.320 -0.001 0.000 0.213 478 A C 1.812 179.383 177.584 -0.022 0.000 1.169 478 A CA 0.016 52.032 52.037 -0.036 0.000 0.724 478 A CB -0.066 18.911 19.000 -0.038 0.000 0.840 478 A HN 0.347 nan 8.150 nan 0.000 0.463 479 L N -0.448 120.770 121.223 -0.007 0.000 2.127 479 L HA 0.020 4.359 4.340 -0.001 0.000 0.203 479 L C 2.212 179.055 176.870 -0.046 0.000 1.080 479 L CA 0.948 55.777 54.840 -0.020 0.000 0.768 479 L CB -0.222 41.825 42.059 -0.020 0.000 0.924 479 L HN 0.379 nan 8.230 nan 0.000 0.444 480 L N 0.038 121.229 121.223 -0.053 0.000 2.083 480 L HA -0.184 4.155 4.340 -0.001 0.000 0.209 480 L C 3.029 179.871 176.870 -0.046 0.000 1.083 480 L CA 1.381 56.184 54.840 -0.061 0.000 0.752 480 L CB -1.023 40.992 42.059 -0.074 0.000 0.899 480 L HN 0.395 nan 8.230 nan 0.000 0.433 481 S N 0.131 115.806 115.700 -0.041 0.000 2.399 481 S HA -0.192 4.277 4.470 -0.001 0.000 0.231 481 S C 2.108 176.691 174.600 -0.027 0.000 1.022 481 S CA 1.385 59.565 58.200 -0.034 0.000 0.983 481 S CB -0.184 nan 63.200 nan 0.000 0.803 481 S HN 0.313 nan 8.310 nan 0.000 0.480 482 K N 0.344 120.727 120.400 -0.028 0.000 1.967 482 K HA 0.073 4.392 4.320 -0.001 0.000 0.212 482 K C 1.882 178.467 176.600 -0.025 0.000 1.044 482 K CA 1.263 57.535 56.287 -0.024 0.000 0.942 482 K CB -0.452 32.033 32.500 -0.025 0.000 0.726 482 K HN 0.405 nan 8.250 nan 0.000 0.440 483 I N 1.171 121.721 120.570 -0.034 0.000 2.121 483 I HA -0.436 3.733 4.170 -0.001 0.000 0.243 483 I C 2.764 178.868 176.117 -0.021 0.000 1.047 483 I CA 1.483 62.763 61.300 -0.034 0.000 1.308 483 I CB -0.305 37.666 38.000 -0.049 0.000 1.015 483 I HN 0.283 nan 8.210 nan 0.000 0.410 484 R N 0.247 120.735 120.500 -0.021 0.000 2.127 484 R HA -0.200 4.139 4.340 -0.001 0.000 0.228 484 R C 2.303 178.598 176.300 -0.007 0.000 1.125 484 R CA 2.713 58.806 56.100 -0.011 0.000 0.904 484 R CB -0.755 29.536 30.300 -0.015 0.000 0.831 484 R HN 0.253 nan 8.270 nan 0.000 0.431 485 T N 1.251 115.799 114.554 -0.010 0.000 2.516 485 T HA -0.186 4.163 4.350 -0.001 0.000 0.261 485 T C 1.302 175.998 174.700 -0.007 0.000 1.130 485 T CA 2.134 64.230 62.100 -0.008 0.000 1.193 485 T CB -0.697 68.165 68.868 -0.010 0.000 0.864 485 T HN 0.399 nan 8.240 nan 0.000 0.410 486 D N 0.339 120.733 120.400 -0.009 0.000 2.357 486 D HA 0.017 4.656 4.640 -0.001 0.000 0.216 486 D C 1.630 177.926 176.300 -0.005 0.000 0.973 486 D CA 1.150 55.146 54.000 -0.007 0.000 0.912 486 D CB -0.804 39.990 40.800 -0.008 0.000 0.900 486 D HN 0.609 nan 8.370 nan 0.000 0.501 487 G N 0.314 109.110 108.800 -0.006 0.000 2.205 487 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.269 487 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.269 487 G C 0.474 175.373 174.900 -0.002 0.000 0.977 487 G CA 1.490 46.588 45.100 -0.004 0.000 0.652 487 G HN 0.629 nan 8.290 nan 0.000 0.539 488 K N -1.765 118.633 120.400 -0.003 0.000 2.305 488 K HA 0.786 5.106 4.320 -0.001 0.000 0.268 488 K C -1.057 175.540 176.600 -0.004 0.000 1.034 488 K CA -1.370 54.918 56.287 0.002 0.000 0.879 488 K CB 0.867 33.371 32.500 0.007 0.000 1.506 488 K HN 0.074 nan 8.250 nan 0.000 0.425 489 I N 2.814 123.387 120.570 0.004 0.000 2.310 489 I HA 0.133 4.302 4.170 -0.001 0.000 0.287 489 I C -0.192 175.928 176.117 0.005 0.000 1.073 489 I CA -0.068 61.227 61.300 -0.009 0.000 1.216 489 I CB 1.285 39.280 38.000 -0.008 0.000 1.415 489 I HN 0.710 nan 8.210 nan 0.000 0.480 490 S N 3.500 119.197 115.700 -0.005 0.000 2.580 490 S HA 0.045 4.514 4.470 -0.001 0.000 0.266 490 S C 1.221 175.829 174.600 0.014 0.000 1.354 490 S CA -0.401 57.802 58.200 0.005 0.000 1.008 490 S CB 0.839 64.039 63.200 -0.000 0.000 0.898 490 S HN 0.713 nan 8.310 nan 0.000 0.555 491 E N 0.571 120.784 120.200 0.021 0.000 2.160 491 E HA -0.204 4.145 4.350 -0.001 0.000 0.195 491 E C 1.706 178.324 176.600 0.029 0.000 0.991 491 E CA 1.276 57.695 56.400 0.032 0.000 0.810 491 E CB -0.019 29.698 29.700 0.028 0.000 0.742 491 E HN 0.797 nan 8.360 nan 0.000 0.466 492 E N -0.100 120.110 120.200 0.017 0.000 1.999 492 E HA -0.108 4.241 4.350 -0.001 0.000 0.194 492 E C 2.165 178.766 176.600 0.001 0.000 0.995 492 E CA 1.071 57.478 56.400 0.012 0.000 0.825 492 E CB -0.094 29.610 29.700 0.006 0.000 0.777 492 E HN 0.085 nan 8.360 nan 0.000 0.459 493 S N 1.295 116.986 115.700 -0.016 0.000 2.423 493 S HA -0.214 4.255 4.470 -0.001 0.000 0.238 493 S C 1.529 176.082 174.600 -0.077 0.000 1.028 493 S CA 1.173 59.344 58.200 -0.048 0.000 1.000 493 S CB -0.347 62.818 63.200 -0.060 0.000 0.797 493 S HN 0.310 nan 8.310 nan 0.000 0.487 494 D N 1.315 121.695 120.400 -0.033 0.000 2.097 494 D HA -0.078 4.561 4.640 -0.001 0.000 0.195 494 D C 2.121 178.453 176.300 0.054 0.000 0.989 494 D CA 1.303 55.306 54.000 0.004 0.000 0.827 494 D CB -0.157 40.701 40.800 0.096 0.000 0.966 494 D HN 0.390 nan 8.370 nan 0.000 0.456 495 A N 0.885 123.737 122.820 0.055 0.000 1.933 495 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 495 A C 2.173 179.780 177.584 0.038 0.000 1.175 495 A CA 1.835 53.911 52.037 0.065 0.000 0.628 495 A CB -0.463 18.567 19.000 0.051 0.000 0.814 495 A HN 0.239 nan 8.150 nan 0.000 0.444 496 K N -0.483 119.920 120.400 0.005 0.000 2.097 496 K HA 0.006 4.325 4.320 -0.001 0.000 0.205 496 K C 1.811 178.381 176.600 -0.051 0.000 1.050 496 K CA 1.131 57.412 56.287 -0.010 0.000 0.938 496 K CB -0.290 32.201 32.500 -0.014 0.000 0.718 496 K HN 0.417 nan 8.250 nan 0.000 0.442 497 L N 1.112 122.279 121.223 -0.093 0.000 2.056 497 L HA -0.166 4.173 4.340 -0.001 0.000 0.207 497 L C 2.584 179.444 176.870 -0.017 0.000 1.078 497 L CA 1.433 56.195 54.840 -0.130 0.000 0.749 497 L CB -0.360 41.464 42.059 -0.392 0.000 0.901 497 L HN 0.233 nan 8.230 nan 0.000 0.433 498 K N 0.086 120.528 120.400 0.071 0.000 2.020 498 K HA -0.293 4.026 4.320 -0.001 0.000 0.212 498 K C 1.999 178.562 176.600 -0.063 0.000 1.050 498 K CA 2.092 58.407 56.287 0.048 0.000 0.929 498 K CB -0.013 32.589 32.500 0.169 0.000 0.714 498 K HN 0.117 nan 8.250 nan 0.000 0.443 499 E N 0.702 120.903 120.200 0.003 0.000 2.051 499 E HA -0.132 4.217 4.350 -0.001 0.000 0.192 499 E C 1.922 178.543 176.600 0.035 0.000 0.991 499 E CA 1.492 57.905 56.400 0.022 0.000 0.799 499 E CB -0.141 29.586 29.700 0.046 0.000 0.748 499 E HN 0.370 nan 8.360 nan 0.000 0.449 500 I N 0.131 120.712 120.570 0.018 0.000 2.194 500 I HA -0.285 3.884 4.170 -0.001 0.000 0.246 500 I C 2.334 178.560 176.117 0.183 0.000 1.093 500 I CA 1.402 62.737 61.300 0.058 0.000 1.355 500 I CB -0.424 37.484 38.000 -0.153 0.000 1.046 500 I HN 0.137 nan 8.210 nan 0.000 0.413 501 V N -1.832 118.114 119.914 0.053 0.000 2.649 501 V HA -0.094 4.025 4.120 -0.001 0.000 0.248 501 V C 2.360 178.440 176.094 -0.023 0.000 1.054 501 V CA 1.631 63.924 62.300 -0.012 0.000 1.073 501 V CB -1.152 30.476 31.823 -0.326 0.000 0.699 501 V HN 0.545 nan 8.190 nan 0.000 0.463 502 T N -2.467 112.021 114.554 -0.111 0.000 3.055 502 T HA -0.005 4.344 4.350 -0.001 0.000 0.265 502 T C 1.655 176.404 174.700 0.082 0.000 1.111 502 T CA 1.296 63.381 62.100 -0.025 0.000 1.118 502 T CB -0.533 68.317 68.868 -0.030 0.000 0.909 502 T HN 0.501 nan 8.240 nan 0.000 0.501 503 N N -0.041 118.731 118.700 0.120 0.000 2.432 503 N HA 0.199 4.938 4.740 -0.001 0.000 0.174 503 N C 1.198 176.800 175.510 0.153 0.000 1.037 503 N CA 0.288 53.411 53.050 0.122 0.000 0.892 503 N CB -0.249 38.306 38.487 0.114 0.000 1.049 503 N HN 0.379 nan 8.380 nan 0.000 0.442 504 F N 2.058 122.068 119.950 0.099 0.000 2.146 504 F HA 0.061 4.587 4.527 -0.001 0.000 0.298 504 F C 2.155 178.058 175.800 0.171 0.000 1.096 504 F CA 0.808 58.873 58.000 0.110 0.000 1.275 504 F CB -0.223 38.889 39.000 0.186 0.000 1.008 504 F HN -0.096 nan 8.300 nan 0.000 0.480 505 L N -0.358 121.147 121.223 0.470 0.000 2.017 505 L HA -0.240 4.099 4.340 -0.001 0.000 0.208 505 L C 2.741 179.781 176.870 0.285 0.000 1.073 505 L CA 1.308 56.418 54.840 0.450 0.000 0.745 505 L CB -0.924 41.327 42.059 0.321 0.000 0.894 505 L HN 0.259 nan 8.230 nan 0.000 0.432 506 A N -0.027 122.894 122.820 0.169 0.000 1.865 506 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 506 A C 2.332 179.947 177.584 0.050 0.000 1.191 506 A CA 1.922 54.017 52.037 0.097 0.000 0.623 506 A CB -1.440 17.600 19.000 0.066 0.000 0.826 506 A HN 0.489 nan 8.150 nan 0.000 0.444 507 G N -1.277 107.519 108.800 -0.006 0.000 2.514 507 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.217 507 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.217 507 G C 1.462 176.315 174.900 -0.079 0.000 1.198 507 G CA 1.236 46.270 45.100 -0.111 0.000 0.780 507 G HN 0.454 nan 8.290 nan 0.000 0.565 508 F N 1.449 121.289 119.950 -0.184 0.000 2.115 508 F HA -0.097 4.429 4.527 -0.001 0.000 0.300 508 F C 2.135 177.941 175.800 0.009 0.000 1.092 508 F CA 1.815 59.775 58.000 -0.066 0.000 1.245 508 F CB 0.119 39.200 39.000 0.135 0.000 0.995 508 F HN 0.204 nan 8.300 nan 0.000 0.481 509 E N 0.268 120.520 120.200 0.087 0.000 2.411 509 E HA 0.342 4.691 4.350 -0.001 0.000 0.228 509 E C 0.043 176.620 176.600 -0.037 0.000 1.169 509 E CA -0.284 56.118 56.400 0.003 0.000 1.421 509 E CB 0.035 29.804 29.700 0.115 0.000 1.333 509 E HN 0.312 nan 8.360 nan 0.000 0.434 510 A N 0.000 122.769 122.820 -0.085 0.000 2.254 510 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 510 A CA 0.000 51.994 52.037 -0.071 0.000 0.836 510 A CB 0.000 18.955 19.000 -0.074 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486