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 2ck3_1_B DATA FIRST_RESID 23 DATA SEQUENCE VDLEETGRVL SIGDGIARVH GLRNVQAEEM VEFSSGLKGM SLNLEPDNVG DATA SEQUENCE VVVFGNDKLI KEGDIVKRTG AIVDVPVGEE LLGRVVDALG NAIDGKGPIG DATA SEQUENCE SKARRRVGLK APGIIPRISV REPMQTGIKA VDSLVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTSIAIDT IINQKRFNDG TDEKKKLYCI YVAIGQKRST VAQLVKRLTD DATA SEQUENCE ADAMKYTIVV SATASDAAPL QYLAPYSGCS MGEYFRDNGK HALIIYDDLS DATA SEQUENCE KQAVAYRQMS LLLRRPPGRE AYPGDVFYLH SRLLERAAKM NDAFGGGSLT DATA SEQUENCE ALPVIETQAG DVSAYIPTNV ISITDGQIFL ETELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQTRA MKQVAGTMKL ELAQYREVAX XXXXXXXLDA ATQQLLSRGV DATA SEQUENCE RLTELLKQGQ YSPMAIEEQV AVIYAGVRGY LDKLEPSKIT KFENAFLSHV DATA SEQUENCE ISQHQALLGK IRTDGKISEE SDAKLKEIVT NFLAGFEA 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 23 V HA 0.000 nan 4.120 nan 0.000 0.244 23 V C 0.000 176.103 176.094 0.015 0.000 1.182 23 V CA 0.000 62.311 62.300 0.018 0.000 1.235 23 V CB 0.000 31.830 31.823 0.012 0.000 1.184 24 D N 1.522 121.927 120.400 0.008 0.000 2.453 24 D HA 0.385 5.025 4.640 0.000 0.000 0.223 24 D C 1.010 177.309 176.300 -0.001 0.000 1.183 24 D CA 0.006 54.007 54.000 0.002 0.000 0.933 24 D CB 0.799 41.597 40.800 -0.003 0.000 1.038 24 D HN 0.512 nan 8.370 nan 0.000 0.513 25 L N 2.364 123.588 121.223 0.001 0.000 2.551 25 L HA -0.027 4.313 4.340 0.000 0.000 0.228 25 L C 2.048 178.897 176.870 -0.034 0.000 1.153 25 L CA 0.622 55.456 54.840 -0.010 0.000 0.851 25 L CB 0.060 42.118 42.059 -0.002 0.000 0.959 25 L HN 0.347 nan 8.230 nan 0.000 0.451 26 E N -0.347 119.837 120.200 -0.026 0.000 2.086 26 E HA -0.093 4.258 4.350 0.000 0.000 0.190 26 E C 1.524 178.105 176.600 -0.032 0.000 0.975 26 E CA 0.601 56.983 56.400 -0.030 0.000 0.813 26 E CB 0.313 30.001 29.700 -0.021 0.000 0.768 26 E HN 0.355 nan 8.360 nan 0.000 0.457 27 E N -0.084 120.100 120.200 -0.027 0.000 2.489 27 E HA 0.127 4.477 4.350 0.000 0.000 0.204 27 E C 0.001 176.579 176.600 -0.037 0.000 1.006 27 E CA 0.395 56.777 56.400 -0.029 0.000 0.936 27 E CB 1.393 31.081 29.700 -0.021 0.000 1.002 27 E HN 0.017 nan 8.360 nan 0.000 0.488 28 T N -0.481 114.052 114.554 -0.034 0.000 2.883 28 T HA 0.704 5.054 4.350 0.000 0.000 0.301 28 T C -0.169 174.513 174.700 -0.030 0.000 1.158 28 T CA -0.569 61.509 62.100 -0.036 0.000 1.007 28 T CB 2.358 71.214 68.868 -0.020 0.000 1.186 28 T HN 0.112 nan 8.240 nan 0.000 0.499 29 G N 0.633 109.415 108.800 -0.029 0.000 2.687 29 G HA2 0.740 4.700 3.960 0.000 0.000 0.291 29 G HA3 0.740 4.700 3.960 0.000 0.000 0.291 29 G C -1.768 173.149 174.900 0.029 0.000 1.420 29 G CA -1.080 44.023 45.100 0.004 0.000 0.796 29 G HN 0.845 nan 8.290 nan 0.000 0.485 30 R N -0.509 120.039 120.500 0.080 0.000 2.599 30 R HA 0.672 5.012 4.340 0.000 0.000 0.295 30 R C -1.099 175.259 176.300 0.097 0.000 0.963 30 R CA -0.717 55.431 56.100 0.079 0.000 0.883 30 R CB 2.041 32.382 30.300 0.068 0.000 1.171 30 R HN 0.274 nan 8.270 nan 0.000 0.450 31 V N 5.000 124.977 119.914 0.106 0.000 2.540 31 V HA -0.031 4.089 4.120 0.000 0.000 0.297 31 V C 1.459 177.601 176.094 0.079 0.000 1.024 31 V CA 0.221 62.593 62.300 0.120 0.000 1.105 31 V CB 0.528 32.443 31.823 0.153 0.000 0.938 31 V HN 0.774 nan 8.190 nan 0.000 0.482 32 L N 3.823 125.091 121.223 0.075 0.000 2.168 32 L HA 0.134 4.474 4.340 0.000 0.000 0.203 32 L C 0.929 177.818 176.870 0.031 0.000 1.078 32 L CA 0.916 55.785 54.840 0.047 0.000 0.780 32 L CB 0.131 42.224 42.059 0.056 0.000 0.939 32 L HN 0.863 nan 8.230 nan 0.000 0.451 33 S N -1.184 114.538 115.700 0.035 0.000 2.565 33 S HA 0.663 5.133 4.470 0.000 0.000 0.269 33 S C -1.072 173.536 174.600 0.014 0.000 1.153 33 S CA -0.789 57.422 58.200 0.018 0.000 0.835 33 S CB 2.653 65.859 63.200 0.010 0.000 1.122 33 S HN 0.010 nan 8.310 nan 0.000 0.462 34 I N -0.215 120.351 120.570 -0.006 0.000 2.743 34 I HA 0.770 4.940 4.170 0.000 0.000 0.292 34 I C 0.092 176.189 176.117 -0.034 0.000 1.343 34 I CA 0.640 61.924 61.300 -0.027 0.000 1.038 34 I CB 1.664 39.634 38.000 -0.049 0.000 1.311 34 I HN 1.413 nan 8.210 nan 0.000 0.426 35 G N 4.555 113.329 108.800 -0.042 0.000 4.251 35 G HA2 0.019 3.979 3.960 0.000 0.000 0.221 35 G HA3 0.019 3.979 3.960 0.000 0.000 0.221 35 G C -0.379 174.497 174.900 -0.039 0.000 0.836 35 G CA -0.022 45.055 45.100 -0.040 0.000 1.033 35 G HN 0.556 nan 8.290 nan 0.000 0.759 36 D N 0.737 121.110 120.400 -0.045 0.000 2.895 36 D HA 0.365 5.005 4.640 0.000 0.000 0.350 36 D C 1.512 177.777 176.300 -0.059 0.000 1.389 36 D CA 0.426 54.397 54.000 -0.047 0.000 0.812 36 D CB 0.519 41.292 40.800 -0.044 0.000 1.164 36 D HN 0.826 nan 8.370 nan 0.000 0.455 37 G N 1.214 109.976 108.800 -0.064 0.000 2.257 37 G HA2 -0.295 3.665 3.960 0.000 0.000 0.267 37 G HA3 -0.295 3.665 3.960 0.000 0.000 0.267 37 G C 0.457 175.302 174.900 -0.091 0.000 0.984 37 G CA 0.040 45.093 45.100 -0.077 0.000 0.626 37 G HN 0.446 nan 8.290 nan 0.000 0.540 38 I N 1.261 121.787 120.570 -0.073 0.000 2.433 38 I HA 0.607 4.777 4.170 0.000 0.000 0.292 38 I C 0.429 176.527 176.117 -0.032 0.000 1.001 38 I CA -0.542 60.724 61.300 -0.057 0.000 1.119 38 I CB 1.869 39.839 38.000 -0.050 0.000 1.289 38 I HN 0.251 nan 8.210 nan 0.000 0.438 39 A N 7.603 130.425 122.820 0.004 0.000 2.290 39 A HA 0.640 4.960 4.320 0.000 0.000 0.310 39 A C -0.335 177.293 177.584 0.074 0.000 1.202 39 A CA -0.678 51.393 52.037 0.057 0.000 0.837 39 A CB 0.594 19.689 19.000 0.159 0.000 1.139 39 A HN 0.595 nan 8.150 nan 0.000 0.509 40 R N 1.694 122.230 120.500 0.060 0.000 2.265 40 R HA 0.510 4.850 4.340 0.000 0.000 0.319 40 R C -1.152 175.194 176.300 0.078 0.000 1.006 40 R CA -0.371 55.762 56.100 0.055 0.000 0.880 40 R CB 1.292 31.615 30.300 0.038 0.000 1.077 40 R HN 0.438 nan 8.270 nan 0.000 0.454 41 V N 3.165 123.121 119.914 0.070 0.000 2.540 41 V HA 0.185 4.305 4.120 0.000 0.000 0.302 41 V C -0.191 175.947 176.094 0.074 0.000 1.035 41 V CA -0.986 61.359 62.300 0.075 0.000 0.873 41 V CB 1.677 33.521 31.823 0.035 0.000 0.992 41 V HN 0.730 nan 8.190 nan 0.000 0.428 42 H N 2.978 122.052 119.070 0.007 0.000 2.582 42 H HA 0.665 5.221 4.556 0.000 0.000 0.345 42 H C 0.606 175.930 175.328 -0.007 0.000 1.104 42 H CA 1.569 57.617 56.048 0.001 0.000 1.390 42 H CB 1.183 30.947 29.762 0.003 0.000 1.461 42 H HN 1.098 nan 8.280 nan 0.000 0.551 43 G N 2.711 111.208 108.800 -0.505 0.000 2.503 43 G HA2 -0.236 3.724 3.960 0.000 0.000 0.235 43 G HA3 -0.236 3.724 3.960 0.000 0.000 0.235 43 G C -0.039 174.767 174.900 -0.158 0.000 1.179 43 G CA -0.385 44.544 45.100 -0.284 0.000 0.944 43 G HN 1.196 nan 8.290 nan 0.000 0.580 44 L N -0.208 120.958 121.223 -0.094 0.000 3.742 44 L HA -0.230 4.110 4.340 0.000 0.000 0.431 44 L C 2.290 179.117 176.870 -0.071 0.000 1.220 44 L CA 0.828 55.623 54.840 -0.075 0.000 0.863 44 L CB -0.791 41.224 42.059 -0.074 0.000 1.751 44 L HN 0.636 nan 8.230 nan 0.000 0.922 45 R N 0.014 120.469 120.500 -0.074 0.000 2.127 45 R HA -0.096 4.244 4.340 0.000 0.000 0.238 45 R C 1.420 177.694 176.300 -0.044 0.000 1.134 45 R CA 1.538 57.599 56.100 -0.064 0.000 0.975 45 R CB -0.435 29.829 30.300 -0.061 0.000 0.865 45 R HN 0.558 nan 8.270 nan 0.000 0.447 46 N N 0.037 118.714 118.700 -0.038 0.000 2.336 46 N HA -0.002 4.738 4.740 0.000 0.000 0.189 46 N C -0.012 175.483 175.510 -0.025 0.000 1.113 46 N CA -0.031 53.002 53.050 -0.027 0.000 0.858 46 N CB 0.341 38.815 38.487 -0.023 0.000 0.970 46 N HN -0.081 nan 8.380 nan 0.000 0.471 47 V N 1.474 121.369 119.914 -0.032 0.000 2.740 47 V HA -0.022 4.098 4.120 0.000 0.000 0.303 47 V C 0.235 176.318 176.094 -0.018 0.000 1.054 47 V CA -0.054 62.229 62.300 -0.027 0.000 1.106 47 V CB 0.718 32.519 31.823 -0.037 0.000 0.957 47 V HN 0.262 nan 8.190 nan 0.000 0.486 48 Q N 3.991 123.785 119.800 -0.010 0.000 2.260 48 Q HA 0.603 4.943 4.340 0.000 0.000 0.238 48 Q C 0.134 176.136 176.000 0.003 0.000 0.948 48 Q CA -0.241 55.561 55.803 -0.002 0.000 0.895 48 Q CB 1.067 29.807 28.738 0.003 0.000 1.218 48 Q HN 0.963 nan 8.270 nan 0.000 0.470 49 A N 1.885 124.709 122.820 0.008 0.000 2.524 49 A HA 0.037 4.357 4.320 0.000 0.000 0.250 49 A C 0.054 177.652 177.584 0.024 0.000 1.078 49 A CA 0.211 52.258 52.037 0.015 0.000 0.761 49 A CB -0.288 18.723 19.000 0.018 0.000 1.012 49 A HN 0.941 nan 8.150 nan 0.000 0.500 50 E N -0.392 119.828 120.200 0.034 0.000 3.070 50 E HA -0.198 4.152 4.350 0.000 0.000 0.285 50 E C 0.082 176.714 176.600 0.054 0.000 0.972 50 E CA 1.146 57.576 56.400 0.051 0.000 0.915 50 E CB -1.377 28.350 29.700 0.045 0.000 1.466 50 E HN 0.919 nan 8.360 nan 0.000 0.432 51 E N 0.675 120.898 120.200 0.040 0.000 2.331 51 E HA 0.295 4.645 4.350 0.000 0.000 0.272 51 E C -0.054 176.580 176.600 0.057 0.000 1.036 51 E CA -0.533 55.888 56.400 0.036 0.000 0.864 51 E CB 0.719 30.426 29.700 0.012 0.000 1.035 51 E HN 0.064 nan 8.360 nan 0.000 0.408 52 M N 5.059 124.701 119.600 0.070 0.000 2.219 52 M HA 0.136 4.616 4.480 0.000 0.000 0.353 52 M C -1.020 175.302 176.300 0.036 0.000 1.304 52 M CA -0.151 55.209 55.300 0.099 0.000 1.115 52 M CB 0.805 33.468 32.600 0.106 0.000 1.664 52 M HN 0.337 nan 8.290 nan 0.000 0.459 53 V N 1.676 121.597 119.914 0.012 0.000 3.046 53 V HA 0.735 4.855 4.120 0.000 0.000 0.316 53 V C -0.916 175.113 176.094 -0.107 0.000 1.104 53 V CA -0.893 61.348 62.300 -0.098 0.000 1.006 53 V CB 1.904 33.595 31.823 -0.220 0.000 1.058 53 V HN 0.874 nan 8.190 nan 0.000 0.440 54 E N 0.844 120.940 120.200 -0.174 0.000 2.199 54 E HA 0.557 4.907 4.350 0.000 0.000 0.265 54 E C -1.696 174.790 176.600 -0.190 0.000 0.882 54 E CA -0.675 55.675 56.400 -0.082 0.000 0.759 54 E CB 1.652 31.347 29.700 -0.008 0.000 1.148 54 E HN 0.628 nan 8.360 nan 0.000 0.412 55 F N 1.707 121.677 119.950 0.033 0.000 2.370 55 F HA 0.135 4.662 4.527 0.000 0.000 0.324 55 F C 1.909 177.723 175.800 0.024 0.000 1.116 55 F CA -0.084 57.931 58.000 0.025 0.000 1.123 55 F CB 1.432 40.446 39.000 0.022 0.000 1.238 55 F HN 0.483 nan 8.300 nan 0.000 0.536 56 S N 0.542 116.372 115.700 0.216 0.000 2.374 56 S HA -0.217 4.253 4.470 0.000 0.000 0.227 56 S C 2.143 176.811 174.600 0.112 0.000 1.037 56 S CA 2.025 60.300 58.200 0.124 0.000 1.024 56 S CB -0.548 62.715 63.200 0.105 0.000 0.861 56 S HN 0.739 nan 8.310 nan 0.000 0.456 57 S N -0.388 115.391 115.700 0.132 0.000 2.474 57 S HA 0.247 4.717 4.470 0.000 0.000 0.235 57 S C 1.662 176.314 174.600 0.088 0.000 0.997 57 S CA 1.091 59.343 58.200 0.086 0.000 0.949 57 S CB -0.450 62.784 63.200 0.056 0.000 0.766 57 S HN 1.208 nan 8.310 nan 0.000 0.517 58 G N 0.443 109.317 108.800 0.123 0.000 2.195 58 G HA2 -0.185 3.775 3.960 0.000 0.000 0.224 58 G HA3 -0.185 3.775 3.960 0.000 0.000 0.224 58 G C -0.027 174.956 174.900 0.140 0.000 0.990 58 G CA -0.056 45.110 45.100 0.109 0.000 0.639 58 G HN 0.477 nan 8.290 nan 0.000 0.514 59 L N 0.878 122.206 121.223 0.175 0.000 2.467 59 L HA 0.387 4.727 4.340 0.000 0.000 0.270 59 L C 0.734 177.809 176.870 0.343 0.000 1.205 59 L CA -0.114 54.848 54.840 0.203 0.000 0.828 59 L CB 0.496 42.609 42.059 0.091 0.000 1.101 59 L HN -0.008 nan 8.230 nan 0.000 0.479 60 K N 1.211 121.811 120.400 0.334 0.000 2.139 60 K HA 0.741 5.061 4.320 0.000 0.000 0.243 60 K C -0.134 176.751 176.600 0.475 0.000 0.983 60 K CA -0.535 55.983 56.287 0.384 0.000 0.890 60 K CB 1.955 34.656 32.500 0.336 0.000 1.090 60 K HN 0.766 nan 8.250 nan 0.000 0.445 61 G N 0.178 109.211 108.800 0.388 0.000 2.692 61 G HA2 0.532 4.492 3.960 0.000 0.000 0.291 61 G HA3 0.532 4.492 3.960 0.000 0.000 0.291 61 G C -1.600 173.370 174.900 0.116 0.000 1.423 61 G CA -0.714 44.498 45.100 0.185 0.000 0.843 61 G HN 0.448 nan 8.290 nan 0.000 0.486 62 M N 1.376 120.939 119.600 -0.063 0.000 2.227 62 M HA 0.481 4.961 4.480 0.000 0.000 0.335 62 M C -0.267 176.042 176.300 0.015 0.000 1.053 62 M CA -0.557 54.783 55.300 0.067 0.000 0.973 62 M CB 1.419 34.110 32.600 0.153 0.000 1.623 62 M HN 0.362 nan 8.290 nan 0.000 0.434 63 S N 5.326 121.042 115.700 0.026 0.000 2.457 63 S HA 0.054 4.524 4.470 0.000 0.000 0.294 63 S C 0.523 175.134 174.600 0.018 0.000 1.201 63 S CA -0.461 57.745 58.200 0.009 0.000 1.112 63 S CB 0.324 63.523 63.200 -0.000 0.000 1.018 63 S HN 0.716 nan 8.310 nan 0.000 0.511 64 L N 4.462 125.691 121.223 0.009 0.000 2.265 64 L HA 0.384 4.724 4.340 0.000 0.000 0.195 64 L C 0.357 177.234 176.870 0.013 0.000 1.083 64 L CA 1.343 56.192 54.840 0.015 0.000 0.798 64 L CB -0.174 41.885 42.059 -0.001 0.000 0.989 64 L HN 0.477 nan 8.230 nan 0.000 0.472 65 N N 0.163 118.866 118.700 0.004 0.000 2.469 65 N HA 0.411 5.151 4.740 0.000 0.000 0.253 65 N C -1.419 174.090 175.510 -0.001 0.000 0.970 65 N CA -0.205 52.846 53.050 0.003 0.000 0.940 65 N CB 0.664 39.150 38.487 -0.001 0.000 1.128 65 N HN 0.131 nan 8.380 nan 0.000 0.503 66 L N 2.642 123.865 121.223 -0.000 0.000 2.261 66 L HA 0.386 4.726 4.340 0.000 0.000 0.289 66 L C 0.211 177.077 176.870 -0.007 0.000 1.059 66 L CA -0.144 54.692 54.840 -0.007 0.000 0.816 66 L CB 0.635 42.689 42.059 -0.007 0.000 1.191 66 L HN 0.465 nan 8.230 nan 0.000 0.431 67 E N 3.663 123.857 120.200 -0.010 0.000 2.339 67 E HA 0.326 4.676 4.350 0.000 0.000 0.262 67 E C -1.775 174.817 176.600 -0.014 0.000 0.934 67 E CA -1.779 54.616 56.400 -0.008 0.000 0.802 67 E CB 1.836 31.535 29.700 -0.002 0.000 1.275 67 E HN 0.289 nan 8.360 nan 0.000 0.427 68 P HA -0.174 nan 4.420 nan 0.000 0.218 68 P C 0.423 177.712 177.300 -0.018 0.000 1.148 68 P CA 1.367 64.460 63.100 -0.012 0.000 0.822 68 P CB 0.185 31.883 31.700 -0.003 0.000 0.784 69 D N -2.226 118.170 120.400 -0.007 0.000 2.474 69 D HA 0.053 4.693 4.640 0.000 0.000 0.213 69 D C 0.188 176.490 176.300 0.003 0.000 1.120 69 D CA -0.043 53.961 54.000 0.006 0.000 0.836 69 D CB -0.429 40.396 40.800 0.042 0.000 1.019 69 D HN 0.348 nan 8.370 nan 0.000 0.507 70 N N -1.320 117.373 118.700 -0.013 0.000 3.046 70 N HA 0.404 5.144 4.740 0.000 0.000 0.243 70 N C -2.007 173.493 175.510 -0.016 0.000 1.452 70 N CA -0.957 52.090 53.050 -0.005 0.000 0.882 70 N CB 1.822 40.328 38.487 0.033 0.000 1.425 70 N HN -0.214 nan 8.380 nan 0.000 0.517 71 V N 0.067 119.975 119.914 -0.010 0.000 2.487 71 V HA 0.749 4.869 4.120 0.000 0.000 0.298 71 V C 0.515 176.613 176.094 0.007 0.000 1.028 71 V CA -0.637 61.657 62.300 -0.010 0.000 0.860 71 V CB 1.273 33.081 31.823 -0.025 0.000 0.991 71 V HN 0.889 nan 8.190 nan 0.000 0.427 72 G N 3.675 112.477 108.800 0.005 0.000 2.333 72 G HA2 0.510 4.470 3.960 0.000 0.000 0.290 72 G HA3 0.510 4.470 3.960 0.000 0.000 0.290 72 G C -0.694 174.211 174.900 0.007 0.000 1.150 72 G CA -0.173 44.931 45.100 0.007 0.000 0.895 72 G HN 0.541 nan 8.290 nan 0.000 0.444 73 V N 3.780 123.711 119.914 0.028 0.000 2.409 73 V HA 0.227 4.347 4.120 0.000 0.000 0.291 73 V C 0.251 176.339 176.094 -0.010 0.000 1.020 73 V CA -0.765 61.558 62.300 0.039 0.000 0.848 73 V CB 1.701 33.612 31.823 0.146 0.000 0.990 73 V HN 0.518 nan 8.190 nan 0.000 0.430 74 V N 6.009 125.861 119.914 -0.103 0.000 2.488 74 V HA 0.227 4.347 4.120 0.000 0.000 0.277 74 V C 0.168 176.034 176.094 -0.381 0.000 1.046 74 V CA -0.173 61.989 62.300 -0.229 0.000 0.986 74 V CB 1.600 33.262 31.823 -0.269 0.000 0.989 74 V HN 0.619 nan 8.190 nan 0.000 0.475 75 V N 6.245 125.975 119.914 -0.307 0.000 2.370 75 V HA 0.343 4.463 4.120 0.000 0.000 0.279 75 V C 0.027 175.974 176.094 -0.244 0.000 1.029 75 V CA -0.297 61.844 62.300 -0.264 0.000 0.870 75 V CB 1.138 32.816 31.823 -0.243 0.000 0.984 75 V HN 0.742 nan 8.190 nan 0.000 0.451 76 F N 4.366 124.368 119.950 0.087 0.000 2.733 76 F HA 0.604 5.131 4.527 0.000 0.000 0.344 76 F C 1.159 176.990 175.800 0.052 0.000 1.179 76 F CA 0.231 58.282 58.000 0.085 0.000 1.316 76 F CB 0.333 39.397 39.000 0.106 0.000 1.577 76 F HN 0.721 nan 8.300 nan 0.000 0.591 77 G N -0.097 108.787 108.800 0.141 0.000 2.317 77 G HA2 0.028 3.988 3.960 0.000 0.000 0.293 77 G HA3 0.028 3.988 3.960 0.000 0.000 0.293 77 G C -1.648 173.257 174.900 0.008 0.000 1.287 77 G CA -1.180 43.965 45.100 0.075 0.000 0.850 77 G HN -0.026 nan 8.290 nan 0.000 0.515 78 N N 1.238 119.934 118.700 -0.006 0.000 2.497 78 N HA 0.232 4.972 4.740 0.000 0.000 0.271 78 N C 0.555 176.021 175.510 -0.073 0.000 1.142 78 N CA 0.202 53.236 53.050 -0.027 0.000 0.965 78 N CB 1.529 40.010 38.487 -0.011 0.000 1.077 78 N HN 0.658 nan 8.380 nan 0.000 0.462 79 D N 1.190 121.540 120.400 -0.084 0.000 2.363 79 D HA -0.145 4.495 4.640 0.000 0.000 0.220 79 D C 1.247 177.487 176.300 -0.101 0.000 0.994 79 D CA 0.631 54.556 54.000 -0.125 0.000 0.890 79 D CB -0.067 40.661 40.800 -0.119 0.000 0.906 79 D HN 0.637 nan 8.370 nan 0.000 0.530 80 K N 0.886 121.247 120.400 -0.066 0.000 2.211 80 K HA -0.118 4.202 4.320 0.000 0.000 0.204 80 K C 1.581 178.149 176.600 -0.054 0.000 1.047 80 K CA 1.021 57.279 56.287 -0.049 0.000 0.935 80 K CB -0.417 32.065 32.500 -0.030 0.000 0.728 80 K HN 0.216 nan 8.250 nan 0.000 0.452 81 L N 0.869 122.049 121.223 -0.072 0.000 2.591 81 L HA 0.271 4.611 4.340 0.000 0.000 0.228 81 L C 0.335 177.148 176.870 -0.094 0.000 1.133 81 L CA -0.098 54.703 54.840 -0.065 0.000 0.880 81 L CB 0.011 42.037 42.059 -0.055 0.000 1.033 81 L HN 0.187 nan 8.230 nan 0.000 0.450 82 I N -0.172 120.317 120.570 -0.135 0.000 2.465 82 I HA 0.286 4.456 4.170 0.000 0.000 0.291 82 I C -0.347 175.729 176.117 -0.069 0.000 1.014 82 I CA -0.456 60.754 61.300 -0.150 0.000 1.093 82 I CB 1.902 39.685 38.000 -0.361 0.000 1.267 82 I HN -0.065 nan 8.210 nan 0.000 0.431 83 K N 4.372 124.763 120.400 -0.015 0.000 2.385 83 K HA 0.341 4.661 4.320 0.000 0.000 0.248 83 K C -0.683 175.933 176.600 0.026 0.000 0.955 83 K CA -0.942 55.346 56.287 0.002 0.000 0.816 83 K CB 2.362 34.866 32.500 0.007 0.000 1.250 83 K HN 0.524 nan 8.250 nan 0.000 0.434 84 E N 0.485 120.696 120.200 0.019 0.000 2.529 84 E HA -0.091 4.259 4.350 0.000 0.000 0.259 84 E C 0.534 177.153 176.600 0.030 0.000 0.966 84 E CA 1.445 57.861 56.400 0.026 0.000 0.937 84 E CB 0.107 29.815 29.700 0.013 0.000 0.923 84 E HN 0.802 nan 8.360 nan 0.000 0.468 85 G N 4.088 112.912 108.800 0.040 0.000 2.234 85 G HA2 -0.225 3.735 3.960 0.000 0.000 0.235 85 G HA3 -0.225 3.735 3.960 0.000 0.000 0.235 85 G C -0.145 174.786 174.900 0.052 0.000 0.997 85 G CA 0.077 45.198 45.100 0.036 0.000 0.623 85 G HN 0.652 nan 8.290 nan 0.000 0.514 86 D N 0.685 121.130 120.400 0.075 0.000 2.443 86 D HA 0.401 5.041 4.640 0.000 0.000 0.239 86 D C 0.839 177.199 176.300 0.100 0.000 1.136 86 D CA 0.078 54.138 54.000 0.100 0.000 0.879 86 D CB 0.692 41.584 40.800 0.152 0.000 1.195 86 D HN 0.240 nan 8.370 nan 0.000 0.443 87 I N 1.747 122.362 120.570 0.075 0.000 2.529 87 I HA 0.071 4.241 4.170 0.000 0.000 0.284 87 I C -0.046 176.072 176.117 0.001 0.000 1.082 87 I CA -0.067 61.254 61.300 0.036 0.000 1.406 87 I CB 1.007 39.020 38.000 0.023 0.000 1.405 87 I HN 0.010 nan 8.210 nan 0.000 0.548 88 V N 6.557 126.425 119.914 -0.076 0.000 2.540 88 V HA 0.496 4.616 4.120 0.000 0.000 0.302 88 V C -0.214 175.774 176.094 -0.176 0.000 1.035 88 V CA -1.040 61.112 62.300 -0.246 0.000 0.873 88 V CB 1.637 33.227 31.823 -0.388 0.000 0.992 88 V HN 0.575 nan 8.190 nan 0.000 0.428 89 K N 3.356 123.646 120.400 -0.182 0.000 2.259 89 K HA 0.610 4.930 4.320 0.000 0.000 0.252 89 K C -0.441 176.095 176.600 -0.106 0.000 0.936 89 K CA -0.896 55.326 56.287 -0.108 0.000 0.810 89 K CB 2.511 34.972 32.500 -0.064 0.000 1.143 89 K HN 0.544 nan 8.250 nan 0.000 0.427 90 R N 0.593 121.049 120.500 -0.073 0.000 2.643 90 R HA -0.005 4.335 4.340 0.000 0.000 0.270 90 R C 1.126 177.405 176.300 -0.036 0.000 1.061 90 R CA 0.427 56.495 56.100 -0.053 0.000 1.107 90 R CB 0.441 30.718 30.300 -0.039 0.000 0.999 90 R HN 0.815 nan 8.270 nan 0.000 0.460 91 T N -1.917 112.624 114.554 -0.023 0.000 3.001 91 T HA 0.160 4.510 4.350 0.000 0.000 0.251 91 T C 1.326 176.022 174.700 -0.006 0.000 1.040 91 T CA 0.365 62.459 62.100 -0.009 0.000 0.985 91 T CB 0.581 69.451 68.868 0.004 0.000 1.011 91 T HN 0.804 nan 8.240 nan 0.000 0.509 92 G N 1.383 110.178 108.800 -0.007 0.000 2.184 92 G HA2 -0.021 3.939 3.960 0.000 0.000 0.264 92 G HA3 -0.021 3.939 3.960 0.000 0.000 0.264 92 G C 0.210 175.110 174.900 0.001 0.000 0.975 92 G CA -0.068 45.029 45.100 -0.005 0.000 0.642 92 G HN 1.356 nan 8.290 nan 0.000 0.536 93 A N 0.782 123.606 122.820 0.006 0.000 2.318 93 A HA 0.741 5.061 4.320 0.000 0.000 0.317 93 A C 0.405 178.000 177.584 0.018 0.000 1.159 93 A CA -0.735 51.308 52.037 0.010 0.000 0.799 93 A CB 0.855 19.860 19.000 0.008 0.000 1.194 93 A HN 0.552 nan 8.150 nan 0.000 0.479 94 I N 2.457 123.038 120.570 0.017 0.000 2.775 94 I HA -0.046 4.124 4.170 0.000 0.000 0.290 94 I C 0.811 176.945 176.117 0.028 0.000 1.203 94 I CA 0.284 61.598 61.300 0.024 0.000 1.433 94 I CB 0.133 38.143 38.000 0.017 0.000 1.354 94 I HN 0.391 nan 8.210 nan 0.000 0.579 95 V N 7.184 127.127 119.914 0.049 0.000 2.703 95 V HA -0.135 3.985 4.120 0.000 0.000 0.300 95 V C 0.335 176.433 176.094 0.007 0.000 1.063 95 V CA 0.561 62.892 62.300 0.052 0.000 1.240 95 V CB -0.775 31.107 31.823 0.098 0.000 0.845 95 V HN 0.946 nan 8.190 nan 0.000 0.476 96 D N 4.049 124.445 120.400 -0.007 0.000 2.610 96 D HA 0.737 5.377 4.640 0.000 0.000 0.271 96 D C -0.618 175.659 176.300 -0.037 0.000 1.174 96 D CA -0.598 53.390 54.000 -0.020 0.000 0.949 96 D CB 2.191 42.985 40.800 -0.010 0.000 1.430 96 D HN 0.509 nan 8.370 nan 0.000 0.467 97 V N -4.797 115.095 119.914 -0.037 0.000 3.007 97 V HA 0.751 4.871 4.120 0.000 0.000 0.311 97 V C -2.879 173.186 176.094 -0.048 0.000 1.120 97 V CA -2.266 60.006 62.300 -0.046 0.000 0.980 97 V CB 1.875 33.668 31.823 -0.049 0.000 1.033 97 V HN 0.600 nan 8.190 nan 0.000 0.429 98 P HA 0.316 nan 4.420 nan 0.000 0.268 98 P C -0.705 176.530 177.300 -0.110 0.000 1.205 98 P CA 0.201 63.253 63.100 -0.079 0.000 0.771 98 P CB 1.303 32.958 31.700 -0.074 0.000 0.858 99 V N 1.151 120.961 119.914 -0.174 0.000 3.130 99 V HA 0.916 5.036 4.120 0.000 0.000 0.310 99 V C 0.459 176.208 176.094 -0.576 0.000 1.158 99 V CA 0.061 62.185 62.300 -0.295 0.000 1.029 99 V CB 1.833 33.536 31.823 -0.199 0.000 1.057 99 V HN 1.058 nan 8.190 nan 0.000 0.436 100 G N 0.895 109.047 108.800 -1.080 0.000 2.353 100 G HA2 0.048 4.008 3.960 0.000 0.000 0.424 100 G HA3 0.048 4.008 3.960 0.000 0.000 0.424 100 G C -0.194 174.201 174.900 -0.842 0.000 1.320 100 G CA -0.092 44.147 45.100 -1.434 0.000 0.995 100 G HN 0.598 nan 8.290 nan 0.000 0.580 101 E N -0.173 119.730 120.200 -0.494 0.000 2.358 101 E HA -0.004 4.346 4.350 0.000 0.000 0.195 101 E C 1.858 178.427 176.600 -0.052 0.000 1.010 101 E CA 1.076 57.406 56.400 -0.117 0.000 0.856 101 E CB 0.178 29.879 29.700 0.003 0.000 0.795 101 E HN 0.561 nan 8.360 nan 0.000 0.504 102 E N 0.801 120.934 120.200 -0.112 0.000 2.267 102 E HA -0.145 4.205 4.350 0.000 0.000 0.197 102 E C 1.690 178.271 176.600 -0.032 0.000 0.998 102 E CA 0.666 57.030 56.400 -0.060 0.000 0.830 102 E CB -0.101 29.553 29.700 -0.078 0.000 0.751 102 E HN 0.233 nan 8.360 nan 0.000 0.491 103 L N 0.206 121.404 121.223 -0.041 0.000 2.395 103 L HA 0.026 4.366 4.340 0.000 0.000 0.218 103 L C 0.451 177.354 176.870 0.055 0.000 1.130 103 L CA -0.075 54.766 54.840 0.001 0.000 0.826 103 L CB -0.196 41.857 42.059 -0.009 0.000 0.941 103 L HN 0.085 nan 8.230 nan 0.000 0.451 104 L N 0.611 121.890 121.223 0.094 0.000 2.540 104 L HA 0.085 4.425 4.340 0.000 0.000 0.276 104 L C 1.396 178.309 176.870 0.072 0.000 1.212 104 L CA 0.740 55.656 54.840 0.127 0.000 0.893 104 L CB 0.010 42.182 42.059 0.190 0.000 1.138 104 L HN 0.366 nan 8.230 nan 0.000 0.491 105 G N 1.945 110.772 108.800 0.046 0.000 2.176 105 G HA2 -0.204 3.756 3.960 0.000 0.000 0.253 105 G HA3 -0.204 3.756 3.960 0.000 0.000 0.253 105 G C 0.224 175.126 174.900 0.005 0.000 0.979 105 G CA -0.420 44.685 45.100 0.008 0.000 0.641 105 G HN 0.470 nan 8.290 nan 0.000 0.530 106 R N -0.308 120.203 120.500 0.018 0.000 2.732 106 R HA 0.706 5.046 4.340 0.000 0.000 0.278 106 R C -0.266 176.046 176.300 0.020 0.000 0.976 106 R CA -0.805 55.303 56.100 0.014 0.000 0.963 106 R CB 1.765 32.073 30.300 0.013 0.000 1.150 106 R HN 0.231 nan 8.270 nan 0.000 0.478 107 V N 2.677 122.601 119.914 0.016 0.000 2.370 107 V HA 0.419 4.539 4.120 0.000 0.000 0.283 107 V C 0.223 176.329 176.094 0.021 0.000 1.023 107 V CA -0.803 61.512 62.300 0.025 0.000 0.857 107 V CB 1.413 33.249 31.823 0.022 0.000 0.985 107 V HN 0.587 nan 8.190 nan 0.000 0.443 108 V N 1.224 121.153 119.914 0.025 0.000 2.960 108 V HA 0.810 4.930 4.120 0.000 0.000 0.315 108 V C -0.296 175.809 176.094 0.017 0.000 1.087 108 V CA -0.886 61.423 62.300 0.015 0.000 0.982 108 V CB 2.045 33.872 31.823 0.007 0.000 1.039 108 V HN 0.798 nan 8.190 nan 0.000 0.437 109 D N 2.502 122.909 120.400 0.012 0.000 2.414 109 D HA 0.439 5.079 4.640 0.000 0.000 0.259 109 D C 1.277 177.572 176.300 -0.008 0.000 1.269 109 D CA 0.121 54.127 54.000 0.011 0.000 1.028 109 D CB 0.830 41.640 40.800 0.017 0.000 1.093 109 D HN 0.829 nan 8.370 nan 0.000 0.545 110 A N -0.717 122.093 122.820 -0.016 0.000 2.019 110 A HA -0.073 4.247 4.320 0.000 0.000 0.219 110 A C 2.220 179.740 177.584 -0.107 0.000 1.164 110 A CA 1.028 53.032 52.037 -0.054 0.000 0.644 110 A CB -0.854 18.114 19.000 -0.054 0.000 0.805 110 A HN 0.535 nan 8.150 nan 0.000 0.449 111 L N -1.656 119.508 121.223 -0.097 0.000 2.592 111 L HA 0.240 4.580 4.340 0.000 0.000 0.227 111 L C 1.594 178.426 176.870 -0.064 0.000 1.127 111 L CA 0.531 55.303 54.840 -0.113 0.000 0.884 111 L CB -0.009 41.999 42.059 -0.085 0.000 1.065 111 L HN 0.539 nan 8.230 nan 0.000 0.457 112 G N -0.046 108.729 108.800 -0.043 0.000 2.132 112 G HA2 -0.237 3.723 3.960 0.000 0.000 0.234 112 G HA3 -0.237 3.723 3.960 0.000 0.000 0.234 112 G C -0.041 174.848 174.900 -0.020 0.000 0.989 112 G CA -0.366 44.717 45.100 -0.030 0.000 0.676 112 G HN 0.346 nan 8.290 nan 0.000 0.522 113 N N 0.867 119.560 118.700 -0.012 0.000 2.514 113 N HA 0.540 5.280 4.740 0.000 0.000 0.277 113 N C 0.635 176.146 175.510 0.002 0.000 1.126 113 N CA 0.502 53.551 53.050 -0.003 0.000 0.978 113 N CB 1.422 39.913 38.487 0.006 0.000 1.106 113 N HN 0.675 nan 8.380 nan 0.000 0.461 114 A N 1.898 124.719 122.820 0.002 0.000 2.520 114 A HA 0.170 4.490 4.320 0.000 0.000 0.245 114 A C 1.278 178.867 177.584 0.009 0.000 1.072 114 A CA -0.046 51.994 52.037 0.004 0.000 0.761 114 A CB -0.520 18.481 19.000 0.002 0.000 1.004 114 A HN 0.819 nan 8.150 nan 0.000 0.499 115 I N -0.840 119.737 120.570 0.011 0.000 4.147 115 I HA 0.257 4.427 4.170 0.000 0.000 0.329 115 I C 0.279 176.402 176.117 0.011 0.000 1.424 115 I CA 0.020 61.328 61.300 0.014 0.000 1.127 115 I CB 0.470 38.481 38.000 0.019 0.000 1.128 115 I HN 0.460 nan 8.210 nan 0.000 0.417 116 D N 0.989 121.394 120.400 0.008 0.000 2.349 116 D HA 0.166 4.806 4.640 0.000 0.000 0.214 116 D C 1.653 177.954 176.300 0.002 0.000 1.063 116 D CA 0.433 54.436 54.000 0.004 0.000 0.847 116 D CB 0.169 40.970 40.800 0.002 0.000 0.933 116 D HN 0.397 nan 8.370 nan 0.000 0.513 117 G N 1.038 109.840 108.800 0.003 0.000 2.168 117 G HA2 -0.384 3.577 3.960 0.000 0.000 0.257 117 G HA3 -0.384 3.577 3.960 0.000 0.000 0.257 117 G C 0.805 175.706 174.900 0.000 0.000 0.997 117 G CA 0.512 45.613 45.100 0.002 0.000 0.708 117 G HN 0.464 nan 8.290 nan 0.000 0.520 118 K N 0.323 120.723 120.400 -0.000 0.000 2.437 118 K HA 0.438 4.758 4.320 0.000 0.000 0.198 118 K C 1.493 178.093 176.600 -0.001 0.000 1.024 118 K CA 0.415 56.701 56.287 -0.001 0.000 1.148 118 K CB 0.225 32.723 32.500 -0.002 0.000 0.860 118 K HN 1.385 nan 8.250 nan 0.000 0.515 119 G N 2.258 111.057 108.800 -0.000 0.000 2.660 119 G HA2 -0.195 3.765 3.960 0.000 0.000 0.247 119 G HA3 -0.195 3.765 3.960 0.000 0.000 0.247 119 G C -2.666 172.232 174.900 -0.003 0.000 1.328 119 G CA -1.281 43.818 45.100 -0.001 0.000 0.884 119 G HN 0.021 nan 8.290 nan 0.000 0.531 120 P HA 0.434 nan 4.420 nan 0.000 0.267 120 P C 0.018 177.312 177.300 -0.011 0.000 1.200 120 P CA 0.002 63.097 63.100 -0.007 0.000 0.772 120 P CB 0.327 32.023 31.700 -0.007 0.000 0.855 121 I N 1.248 121.808 120.570 -0.016 0.000 2.339 121 I HA 0.238 4.408 4.170 0.000 0.000 0.290 121 I C 1.630 177.727 176.117 -0.033 0.000 0.994 121 I CA -0.216 61.070 61.300 -0.024 0.000 1.191 121 I CB 1.555 39.538 38.000 -0.028 0.000 1.343 121 I HN 0.454 nan 8.210 nan 0.000 0.458 122 G N 3.820 112.599 108.800 -0.036 0.000 2.625 122 G HA2 -0.099 3.861 3.960 0.000 0.000 0.214 122 G HA3 -0.099 3.861 3.960 0.000 0.000 0.214 122 G C 0.712 175.578 174.900 -0.056 0.000 1.132 122 G CA -0.071 45.005 45.100 -0.039 0.000 0.782 122 G HN 0.573 nan 8.290 nan 0.000 0.538 123 S N 0.507 116.161 115.700 -0.077 0.000 2.575 123 S HA 0.101 4.571 4.470 0.000 0.000 0.295 123 S C 1.225 175.774 174.600 -0.085 0.000 1.267 123 S CA 0.010 58.144 58.200 -0.110 0.000 1.074 123 S CB 1.172 64.287 63.200 -0.142 0.000 0.829 123 S HN 0.255 nan 8.310 nan 0.000 0.497 124 K N 1.387 121.735 120.400 -0.086 0.000 2.287 124 K HA 0.210 4.530 4.320 0.000 0.000 0.199 124 K C 0.936 177.501 176.600 -0.059 0.000 1.061 124 K CA 0.303 56.555 56.287 -0.060 0.000 0.976 124 K CB -0.004 32.469 32.500 -0.046 0.000 0.898 124 K HN 0.643 nan 8.250 nan 0.000 0.492 125 A N 2.016 124.789 122.820 -0.078 0.000 2.332 125 A HA 0.459 4.779 4.320 0.000 0.000 0.258 125 A C -0.257 177.284 177.584 -0.071 0.000 1.087 125 A CA -0.138 51.861 52.037 -0.063 0.000 0.802 125 A CB 0.425 19.393 19.000 -0.052 0.000 1.042 125 A HN 0.170 nan 8.150 nan 0.000 0.489 126 R N 0.282 120.756 120.500 -0.042 0.000 2.725 126 R HA 0.592 4.932 4.340 0.000 0.000 0.277 126 R C -1.069 175.220 176.300 -0.017 0.000 0.987 126 R CA -0.741 55.337 56.100 -0.037 0.000 0.901 126 R CB 2.507 32.790 30.300 -0.029 0.000 1.207 126 R HN 0.798 nan 8.270 nan 0.000 0.463 127 R N 1.223 121.715 120.500 -0.013 0.000 2.686 127 R HA 0.393 4.733 4.340 0.000 0.000 0.286 127 R C -0.582 175.718 176.300 -0.000 0.000 0.969 127 R CA -1.083 55.019 56.100 0.003 0.000 0.898 127 R CB 2.400 32.711 30.300 0.019 0.000 1.183 127 R HN 0.348 nan 8.270 nan 0.000 0.456 128 R N 1.230 121.733 120.500 0.004 0.000 2.489 128 R HA -0.023 4.317 4.340 0.000 0.000 0.287 128 R C 1.578 177.876 176.300 -0.004 0.000 1.053 128 R CA -0.094 56.005 56.100 -0.001 0.000 1.036 128 R CB 0.546 30.847 30.300 0.001 0.000 0.966 128 R HN 0.524 nan 8.270 nan 0.000 0.432 129 V N 1.115 121.019 119.914 -0.018 0.000 2.759 129 V HA -0.019 4.101 4.120 0.000 0.000 0.256 129 V C 1.353 177.421 176.094 -0.043 0.000 1.080 129 V CA 1.880 64.171 62.300 -0.014 0.000 1.101 129 V CB -0.282 31.519 31.823 -0.036 0.000 0.698 129 V HN 0.871 nan 8.190 nan 0.000 0.477 130 G N -0.238 108.514 108.800 -0.081 0.000 3.284 130 G HA2 0.278 4.238 3.960 0.000 0.000 0.236 130 G HA3 0.278 4.238 3.960 0.000 0.000 0.236 130 G C 0.443 175.311 174.900 -0.053 0.000 1.158 130 G CA -0.373 44.651 45.100 -0.126 0.000 0.774 130 G HN 0.438 nan 8.290 nan 0.000 0.545 131 L N 1.172 122.386 121.223 -0.014 0.000 2.540 131 L HA 0.139 4.479 4.340 0.000 0.000 0.276 131 L C 0.761 177.639 176.870 0.012 0.000 1.212 131 L CA -0.030 54.814 54.840 0.006 0.000 0.893 131 L CB 0.675 42.745 42.059 0.018 0.000 1.138 131 L HN 0.107 nan 8.230 nan 0.000 0.491 132 K N 3.770 124.181 120.400 0.019 0.000 2.382 132 K HA 0.264 4.584 4.320 0.000 0.000 0.275 132 K C 0.017 176.630 176.600 0.022 0.000 1.009 132 K CA -0.363 55.940 56.287 0.027 0.000 0.970 132 K CB 0.889 33.412 32.500 0.038 0.000 0.934 132 K HN 0.709 nan 8.250 nan 0.000 0.479 133 A N 5.384 128.216 122.820 0.021 0.000 2.520 133 A HA 0.184 4.504 4.320 0.000 0.000 0.235 133 A C -2.097 175.482 177.584 -0.009 0.000 1.065 133 A CA -0.991 51.051 52.037 0.008 0.000 0.764 133 A CB -0.555 18.451 19.000 0.009 0.000 1.002 133 A HN 0.643 nan 8.150 nan 0.000 0.502 134 P HA 0.173 nan 4.420 nan 0.000 0.265 134 P C 0.777 178.029 177.300 -0.079 0.000 1.187 134 P CA 0.756 63.802 63.100 -0.089 0.000 0.766 134 P CB 0.452 32.058 31.700 -0.156 0.000 0.820 135 G N 1.431 110.180 108.800 -0.085 0.000 2.485 135 G HA2 0.119 4.079 3.960 0.000 0.000 0.260 135 G HA3 0.119 4.079 3.960 0.000 0.000 0.260 135 G C 1.101 175.956 174.900 -0.074 0.000 1.459 135 G CA -0.572 44.495 45.100 -0.056 0.000 1.060 135 G HN 0.414 nan 8.290 nan 0.000 0.546 136 I N -0.219 120.323 120.570 -0.048 0.000 2.142 136 I HA -0.129 4.041 4.170 0.000 0.000 0.240 136 I C 2.622 178.700 176.117 -0.065 0.000 1.078 136 I CA 0.725 61.999 61.300 -0.043 0.000 1.343 136 I CB -0.138 37.851 38.000 -0.018 0.000 1.046 136 I HN 0.234 nan 8.210 nan 0.000 0.405 137 I N 1.016 121.550 120.570 -0.060 0.000 2.286 137 I HA -0.153 4.017 4.170 0.000 0.000 0.248 137 I C -0.305 175.740 176.117 -0.121 0.000 1.115 137 I CA 1.753 63.025 61.300 -0.046 0.000 1.392 137 I CB -2.368 35.640 38.000 0.014 0.000 1.065 137 I HN 0.150 nan 8.210 nan 0.000 0.418 138 P HA -0.060 nan 4.420 nan 0.000 0.231 138 P C 0.306 177.359 177.300 -0.413 0.000 1.158 138 P CA 0.937 63.562 63.100 -0.793 0.000 0.763 138 P CB 0.053 30.937 31.700 -1.361 0.000 0.805 139 R N -0.508 119.867 120.500 -0.208 0.000 2.674 139 R HA 0.728 5.068 4.340 0.000 0.000 0.266 139 R C -0.203 176.068 176.300 -0.049 0.000 1.016 139 R CA -0.866 55.166 56.100 -0.114 0.000 1.062 139 R CB 1.382 31.630 30.300 -0.087 0.000 1.142 139 R HN -0.007 nan 8.270 nan 0.000 0.517 140 I N -0.299 120.257 120.570 -0.024 0.000 3.006 140 I HA 0.194 4.364 4.170 0.000 0.000 0.306 140 I C -0.554 175.562 176.117 -0.002 0.000 1.250 140 I CA -0.683 60.614 61.300 -0.004 0.000 0.996 140 I CB 2.425 40.432 38.000 0.011 0.000 1.261 140 I HN 0.821 nan 8.210 nan 0.000 0.442 141 S N 4.502 120.203 115.700 0.001 0.000 2.558 141 S HA 0.200 4.670 4.470 0.000 0.000 0.288 141 S C 0.032 174.632 174.600 0.001 0.000 1.318 141 S CA -0.613 57.588 58.200 0.001 0.000 1.056 141 S CB 0.880 64.081 63.200 0.001 0.000 0.853 141 S HN 0.725 nan 8.310 nan 0.000 0.505 142 V N 2.368 122.281 119.914 -0.001 0.000 2.585 142 V HA 0.403 4.523 4.120 0.000 0.000 0.296 142 V C 0.909 176.996 176.094 -0.011 0.000 1.035 142 V CA -0.063 62.234 62.300 -0.004 0.000 1.084 142 V CB 0.144 31.964 31.823 -0.006 0.000 0.953 142 V HN 1.126 nan 8.190 nan 0.000 0.483 143 R N 1.833 122.321 120.500 -0.020 0.000 2.612 143 R HA 0.415 4.755 4.340 0.000 0.000 0.260 143 R C 0.039 176.310 176.300 -0.048 0.000 0.943 143 R CA -0.415 55.669 56.100 -0.025 0.000 1.036 143 R CB 0.479 30.769 30.300 -0.016 0.000 1.520 143 R HN 0.701 nan 8.270 nan 0.000 0.563 144 E N 3.153 123.310 120.200 -0.071 0.000 2.175 144 E HA 0.332 4.682 4.350 0.000 0.000 0.278 144 E C -2.607 173.913 176.600 -0.135 0.000 0.969 144 E CA -2.525 53.801 56.400 -0.123 0.000 0.796 144 E CB 1.675 31.260 29.700 -0.191 0.000 1.104 144 E HN -0.059 nan 8.360 nan 0.000 0.395 145 P HA -0.014 nan 4.420 nan 0.000 0.267 145 P C -0.709 176.483 177.300 -0.180 0.000 1.205 145 P CA 0.018 63.041 63.100 -0.129 0.000 0.765 145 P CB 0.428 32.060 31.700 -0.112 0.000 0.828 146 M N 4.068 123.592 119.600 -0.126 0.000 2.103 146 M HA 0.146 4.626 4.480 0.000 0.000 0.350 146 M C -0.662 175.599 176.300 -0.065 0.000 1.100 146 M CA -0.374 54.852 55.300 -0.124 0.000 1.042 146 M CB 0.198 32.748 32.600 -0.084 0.000 1.368 146 M HN 0.316 nan 8.290 nan 0.000 0.404 147 Q N 2.607 122.376 119.800 -0.052 0.000 2.295 147 Q HA 0.191 4.531 4.340 0.000 0.000 0.259 147 Q C 1.238 177.280 176.000 0.069 0.000 0.976 147 Q CA 0.103 55.929 55.803 0.039 0.000 0.923 147 Q CB 1.009 29.827 28.738 0.133 0.000 1.185 147 Q HN 0.766 nan 8.270 nan 0.000 0.410 148 T N -1.435 113.147 114.554 0.047 0.000 3.035 148 T HA 0.099 4.449 4.350 0.000 0.000 0.259 148 T C 1.258 175.986 174.700 0.046 0.000 1.078 148 T CA 0.689 62.815 62.100 0.044 0.000 1.132 148 T CB 0.074 68.960 68.868 0.030 0.000 0.900 148 T HN 0.839 nan 8.240 nan 0.000 0.480 149 G N 1.486 110.313 108.800 0.045 0.000 2.162 149 G HA2 -0.205 3.755 3.960 0.000 0.000 0.260 149 G HA3 -0.205 3.755 3.960 0.000 0.000 0.260 149 G C 0.008 174.919 174.900 0.017 0.000 0.976 149 G CA 0.208 45.325 45.100 0.028 0.000 0.655 149 G HN 0.686 nan 8.290 nan 0.000 0.533 150 I N 0.637 121.219 120.570 0.019 0.000 2.312 150 I HA 0.277 4.447 4.170 0.000 0.000 0.290 150 I C 1.531 177.660 176.117 0.019 0.000 1.008 150 I CA -0.827 60.481 61.300 0.014 0.000 1.226 150 I CB 1.348 39.355 38.000 0.012 0.000 1.371 150 I HN -0.026 nan 8.210 nan 0.000 0.468 151 K N 4.273 124.684 120.400 0.018 0.000 2.044 151 K HA -0.239 4.081 4.320 0.000 0.000 0.210 151 K C 2.115 178.730 176.600 0.025 0.000 1.049 151 K CA 1.923 58.224 56.287 0.024 0.000 0.927 151 K CB -0.195 32.320 32.500 0.025 0.000 0.713 151 K HN 0.803 nan 8.250 nan 0.000 0.443 152 A N 0.926 123.760 122.820 0.024 0.000 1.940 152 A HA -0.144 4.176 4.320 0.000 0.000 0.219 152 A C 2.393 179.995 177.584 0.030 0.000 1.176 152 A CA 1.671 53.725 52.037 0.028 0.000 0.631 152 A CB -0.608 18.410 19.000 0.029 0.000 0.814 152 A HN 0.098 nan 8.150 nan 0.000 0.446 153 V N 0.198 120.128 119.914 0.028 0.000 2.302 153 V HA -0.159 3.961 4.120 0.000 0.000 0.243 153 V C 2.074 178.183 176.094 0.025 0.000 1.036 153 V CA 2.065 64.382 62.300 0.028 0.000 1.020 153 V CB -0.799 31.039 31.823 0.025 0.000 0.657 153 V HN 0.447 nan 8.190 nan 0.000 0.453 154 D N 0.453 120.868 120.400 0.024 0.000 2.218 154 D HA -0.109 4.531 4.640 0.000 0.000 0.204 154 D C 2.377 178.692 176.300 0.024 0.000 0.976 154 D CA 1.667 55.681 54.000 0.023 0.000 0.853 154 D CB -0.081 40.735 40.800 0.027 0.000 0.939 154 D HN 0.606 nan 8.370 nan 0.000 0.481 155 S N -0.665 115.051 115.700 0.027 0.000 2.387 155 S HA 0.057 4.527 4.470 0.000 0.000 0.221 155 S C 1.965 176.581 174.600 0.027 0.000 1.041 155 S CA 0.208 58.425 58.200 0.028 0.000 0.959 155 S CB -0.240 62.978 63.200 0.031 0.000 0.843 155 S HN 0.186 nan 8.310 nan 0.000 0.488 156 L N 0.874 122.114 121.223 0.029 0.000 2.515 156 L HA 0.384 4.724 4.340 0.000 0.000 0.223 156 L C -0.074 176.815 176.870 0.032 0.000 1.079 156 L CA 0.080 54.939 54.840 0.032 0.000 0.857 156 L CB 0.736 42.817 42.059 0.037 0.000 1.050 156 L HN 0.181 nan 8.230 nan 0.000 0.476 157 V N 0.561 120.493 119.914 0.031 0.000 2.562 157 V HA 0.251 4.371 4.120 0.000 0.000 0.274 157 V C -2.424 173.683 176.094 0.023 0.000 1.075 157 V CA -1.261 61.057 62.300 0.030 0.000 1.204 157 V CB 0.036 31.882 31.823 0.039 0.000 1.478 157 V HN -0.005 nan 8.190 nan 0.000 0.622 158 P HA 0.296 nan 4.420 nan 0.000 0.268 158 P C -0.405 176.898 177.300 0.005 0.000 1.205 158 P CA 0.323 63.429 63.100 0.010 0.000 0.771 158 P CB 1.469 33.173 31.700 0.007 0.000 0.858 159 I N 1.571 122.139 120.570 -0.002 0.000 2.404 159 I HA 0.480 4.650 4.170 0.000 0.000 0.293 159 I C 1.007 177.108 176.117 -0.025 0.000 0.992 159 I CA -0.575 60.720 61.300 -0.008 0.000 1.149 159 I CB 2.055 40.052 38.000 -0.006 0.000 1.315 159 I HN 0.327 nan 8.210 nan 0.000 0.446 160 G N 4.438 113.223 108.800 -0.025 0.000 2.461 160 G HA2 0.546 4.506 3.960 0.000 0.000 0.329 160 G HA3 0.546 4.506 3.960 0.000 0.000 0.329 160 G C -0.543 174.332 174.900 -0.042 0.000 1.170 160 G CA -0.807 44.269 45.100 -0.040 0.000 0.935 160 G HN 0.534 nan 8.290 nan 0.000 0.492 161 R N 0.007 120.470 120.500 -0.062 0.000 2.296 161 R HA 0.430 4.770 4.340 0.000 0.000 0.323 161 R C 1.154 177.458 176.300 0.006 0.000 1.067 161 R CA 1.186 57.260 56.100 -0.043 0.000 0.946 161 R CB 0.768 31.003 30.300 -0.108 0.000 0.991 161 R HN 1.015 nan 8.270 nan 0.000 0.448 162 G N 1.879 110.692 108.800 0.021 0.000 2.278 162 G HA2 -0.273 3.687 3.960 0.000 0.000 0.210 162 G HA3 -0.273 3.687 3.960 0.000 0.000 0.210 162 G C 0.184 175.093 174.900 0.014 0.000 1.000 162 G CA -0.255 44.860 45.100 0.025 0.000 0.635 162 G HN 0.566 nan 8.290 nan 0.000 0.495 163 Q N 0.481 120.285 119.800 0.007 0.000 2.417 163 Q HA 0.615 4.955 4.340 0.000 0.000 0.241 163 Q C -0.142 175.865 176.000 0.011 0.000 1.008 163 Q CA -0.180 55.627 55.803 0.007 0.000 0.901 163 Q CB 0.369 29.108 28.738 0.002 0.000 1.259 163 Q HN 0.327 nan 8.270 nan 0.000 0.489 164 R N 2.045 122.554 120.500 0.015 0.000 2.343 164 R HA 0.329 4.669 4.340 0.000 0.000 0.320 164 R C -1.409 174.901 176.300 0.017 0.000 0.956 164 R CA -0.530 55.581 56.100 0.019 0.000 0.836 164 R CB 1.655 31.968 30.300 0.023 0.000 1.151 164 R HN 0.484 nan 8.270 nan 0.000 0.450 165 E N 2.771 122.980 120.200 0.016 0.000 2.255 165 E HA 0.258 4.608 4.350 0.000 0.000 0.256 165 E C -1.481 175.132 176.600 0.021 0.000 0.887 165 E CA -0.878 55.533 56.400 0.019 0.000 0.782 165 E CB 0.889 30.599 29.700 0.017 0.000 1.214 165 E HN 0.383 nan 8.360 nan 0.000 0.417 166 L N 5.493 126.730 121.223 0.024 0.000 2.410 166 L HA 0.417 4.757 4.340 0.000 0.000 0.273 166 L C -0.894 176.000 176.870 0.040 0.000 1.152 166 L CA 0.330 55.184 54.840 0.024 0.000 0.855 166 L CB 0.362 42.434 42.059 0.021 0.000 1.129 166 L HN 0.650 nan 8.230 nan 0.000 0.463 167 I N 6.981 127.571 120.570 0.034 0.000 2.321 167 I HA 0.407 4.577 4.170 0.000 0.000 0.291 167 I C -0.293 175.855 176.117 0.052 0.000 0.998 167 I CA -0.190 61.135 61.300 0.042 0.000 1.227 167 I CB 1.244 39.260 38.000 0.026 0.000 1.368 167 I HN 0.582 nan 8.210 nan 0.000 0.466 168 I N 5.349 125.975 120.570 0.094 0.000 2.656 168 I HA 0.860 5.030 4.170 0.000 0.000 0.292 168 I C -0.461 175.742 176.117 0.144 0.000 1.144 168 I CA 0.030 61.414 61.300 0.140 0.000 1.038 168 I CB 1.988 40.103 38.000 0.191 0.000 1.244 168 I HN 0.705 nan 8.210 nan 0.000 0.420 169 G N 4.910 113.759 108.800 0.081 0.000 2.328 169 G HA2 0.185 4.145 3.960 0.000 0.000 0.295 169 G HA3 0.185 4.145 3.960 0.000 0.000 0.295 169 G C -1.933 172.955 174.900 -0.021 0.000 1.413 169 G CA -0.787 44.284 45.100 -0.047 0.000 0.817 169 G HN 0.496 nan 8.290 nan 0.000 0.546 170 D N 0.139 120.505 120.400 -0.056 0.000 2.363 170 D HA 0.314 4.954 4.640 0.000 0.000 0.240 170 D C 1.352 177.606 176.300 -0.077 0.000 1.236 170 D CA -0.041 53.938 54.000 -0.035 0.000 0.927 170 D CB 0.489 41.268 40.800 -0.035 0.000 1.150 170 D HN 0.691 nan 8.370 nan 0.000 0.458 171 R N 0.636 121.105 120.500 -0.051 0.000 2.640 171 R HA -0.060 4.280 4.340 0.000 0.000 0.270 171 R C -0.197 176.020 176.300 -0.139 0.000 1.024 171 R CA -0.022 56.039 56.100 -0.065 0.000 1.085 171 R CB 0.172 30.457 30.300 -0.026 0.000 0.963 171 R HN 0.235 nan 8.270 nan 0.000 0.426 172 Q N 0.516 120.216 119.800 -0.166 0.000 2.468 172 Q HA -0.154 4.186 4.340 0.000 0.000 0.289 172 Q C 0.166 175.759 176.000 -0.679 0.000 1.299 172 Q CA 1.704 57.338 55.803 -0.280 0.000 0.838 172 Q CB -1.788 26.854 28.738 -0.160 0.000 1.195 172 Q HN 0.995 nan 8.270 nan 0.000 0.456 173 T N -5.248 108.953 114.554 -0.589 0.000 3.054 173 T HA 0.443 4.793 4.350 0.000 0.000 0.255 173 T C 1.173 175.554 174.700 -0.532 0.000 1.035 173 T CA 0.749 62.386 62.100 -0.771 0.000 0.941 173 T CB 1.063 69.693 68.868 -0.396 0.000 1.026 173 T HN 0.816 nan 8.240 nan 0.000 0.533 174 G N 1.730 110.330 108.800 -0.334 0.000 2.143 174 G HA2 -0.219 3.741 3.960 0.000 0.000 0.175 174 G HA3 -0.219 3.741 3.960 0.000 0.000 0.175 174 G C 0.734 175.602 174.900 -0.052 0.000 1.004 174 G CA 0.155 45.200 45.100 -0.092 0.000 0.671 174 G HN 0.479 nan 8.290 nan 0.000 0.512 175 K N -0.212 120.147 120.400 -0.068 0.000 1.985 175 K HA -0.070 4.250 4.320 0.000 0.000 0.210 175 K C 2.531 179.141 176.600 0.017 0.000 1.047 175 K CA 1.906 58.178 56.287 -0.025 0.000 0.932 175 K CB -0.419 32.066 32.500 -0.025 0.000 0.716 175 K HN 0.292 nan 8.250 nan 0.000 0.439 176 T N 1.260 115.835 114.554 0.035 0.000 2.759 176 T HA -0.113 4.237 4.350 0.000 0.000 0.269 176 T C 2.102 176.836 174.700 0.057 0.000 1.042 176 T CA 1.544 63.694 62.100 0.083 0.000 1.140 176 T CB -0.215 68.712 68.868 0.098 0.000 0.864 176 T HN 0.161 nan 8.240 nan 0.000 0.455 177 S N 1.161 116.876 115.700 0.025 0.000 2.383 177 S HA -0.058 4.412 4.470 0.000 0.000 0.229 177 S C 2.010 176.608 174.600 -0.003 0.000 1.030 177 S CA 0.695 58.894 58.200 -0.002 0.000 1.002 177 S CB -0.358 62.820 63.200 -0.037 0.000 0.829 177 S HN 0.353 nan 8.310 nan 0.000 0.467 178 I N 2.021 122.597 120.570 0.010 0.000 2.127 178 I HA -0.195 3.975 4.170 0.000 0.000 0.241 178 I C 2.766 178.903 176.117 0.033 0.000 1.075 178 I CA 1.480 62.790 61.300 0.016 0.000 1.334 178 I CB -1.778 36.233 38.000 0.019 0.000 1.040 178 I HN 0.259 nan 8.210 nan 0.000 0.405 179 A N 1.135 123.987 122.820 0.053 0.000 1.902 179 A HA -0.168 4.152 4.320 0.000 0.000 0.217 179 A C 2.212 179.838 177.584 0.070 0.000 1.181 179 A CA 1.337 53.421 52.037 0.079 0.000 0.623 179 A CB -0.576 18.510 19.000 0.144 0.000 0.818 179 A HN 0.283 nan 8.150 nan 0.000 0.443 180 I N 0.548 121.147 120.570 0.049 0.000 2.226 180 I HA -0.183 3.987 4.170 0.000 0.000 0.245 180 I C 1.770 177.926 176.117 0.064 0.000 1.100 180 I CA 1.569 62.888 61.300 0.032 0.000 1.374 180 I CB -1.629 36.396 38.000 0.042 0.000 1.057 180 I HN 0.250 nan 8.210 nan 0.000 0.413 181 D N 0.463 120.896 120.400 0.054 0.000 2.144 181 D HA -0.122 4.518 4.640 0.000 0.000 0.199 181 D C 2.209 178.543 176.300 0.057 0.000 0.984 181 D CA 1.368 55.400 54.000 0.052 0.000 0.834 181 D CB -0.144 40.660 40.800 0.007 0.000 0.955 181 D HN 0.253 nan 8.370 nan 0.000 0.465 182 T N 0.607 115.194 114.554 0.054 0.000 2.708 182 T HA -0.092 4.258 4.350 0.000 0.000 0.266 182 T C 2.185 176.937 174.700 0.087 0.000 1.037 182 T CA 0.640 62.776 62.100 0.061 0.000 1.146 182 T CB -0.214 68.683 68.868 0.048 0.000 0.865 182 T HN 0.153 nan 8.240 nan 0.000 0.435 183 I N 0.677 121.307 120.570 0.099 0.000 2.127 183 I HA -0.155 4.015 4.170 0.000 0.000 0.241 183 I C 2.286 178.537 176.117 0.222 0.000 1.075 183 I CA 1.439 62.835 61.300 0.159 0.000 1.334 183 I CB -0.420 37.645 38.000 0.110 0.000 1.040 183 I HN 0.193 nan 8.210 nan 0.000 0.405 184 I N 0.760 121.413 120.570 0.139 0.000 2.335 184 I HA -0.329 3.841 4.170 0.000 0.000 0.251 184 I C 2.237 178.428 176.117 0.123 0.000 1.129 184 I CA 1.415 62.795 61.300 0.133 0.000 1.402 184 I CB -0.583 37.470 38.000 0.089 0.000 1.069 184 I HN 0.336 nan 8.210 nan 0.000 0.424 185 N N 0.655 119.406 118.700 0.085 0.000 2.205 185 N HA -0.206 4.534 4.740 0.000 0.000 0.186 185 N C 1.781 177.277 175.510 -0.024 0.000 1.015 185 N CA 1.203 54.270 53.050 0.028 0.000 0.862 185 N CB 0.020 38.540 38.487 0.055 0.000 0.986 185 N HN 0.248 nan 8.380 nan 0.000 0.429 186 Q N 0.337 120.156 119.800 0.031 0.000 2.436 186 Q HA -0.089 4.251 4.340 0.000 0.000 0.209 186 Q C 1.657 177.482 176.000 -0.292 0.000 0.965 186 Q CA 0.523 56.295 55.803 -0.051 0.000 0.910 186 Q CB -0.230 28.386 28.738 -0.204 0.000 0.980 186 Q HN 0.535 nan 8.270 nan 0.000 0.491 187 K N 1.795 122.114 120.400 -0.135 0.000 2.089 187 K HA -0.238 4.082 4.320 0.000 0.000 0.210 187 K C 2.063 178.543 176.600 -0.200 0.000 1.048 187 K CA 1.836 58.090 56.287 -0.055 0.000 0.926 187 K CB -0.015 32.549 32.500 0.107 0.000 0.714 187 K HN 0.259 nan 8.250 nan 0.000 0.448 188 R N -0.504 119.778 120.500 -0.362 0.000 2.120 188 R HA -0.125 4.215 4.340 0.000 0.000 0.234 188 R C 1.819 177.837 176.300 -0.469 0.000 1.123 188 R CA 1.767 57.590 56.100 -0.462 0.000 0.975 188 R CB -0.569 29.367 30.300 -0.606 0.000 0.866 188 R HN 0.215 nan 8.270 nan 0.000 0.446 189 F N 1.250 121.103 119.950 -0.162 0.000 2.317 189 F HA 0.146 4.673 4.527 0.000 0.000 0.293 189 F C 1.823 177.497 175.800 -0.211 0.000 1.085 189 F CA 0.168 58.061 58.000 -0.178 0.000 1.390 189 F CB -0.263 38.613 39.000 -0.207 0.000 1.077 189 F HN -0.028 nan 8.300 nan 0.000 0.517 190 N N 0.203 118.813 118.700 -0.149 0.000 2.396 190 N HA -0.122 4.619 4.740 0.000 0.000 0.180 190 N C 0.943 176.397 175.510 -0.093 0.000 1.028 190 N CA 0.980 53.888 53.050 -0.237 0.000 0.893 190 N CB -0.454 37.702 38.487 -0.551 0.000 0.967 190 N HN 0.234 nan 8.380 nan 0.000 0.440 191 D N 0.099 120.458 120.400 -0.069 0.000 2.347 191 D HA 0.032 4.672 4.640 0.000 0.000 0.215 191 D C 1.292 177.582 176.300 -0.017 0.000 0.976 191 D CA 0.296 54.281 54.000 -0.026 0.000 0.884 191 D CB -0.194 40.584 40.800 -0.036 0.000 0.915 191 D HN 0.164 nan 8.370 nan 0.000 0.526 192 G N -0.134 108.655 108.800 -0.018 0.000 2.553 192 G HA2 0.240 4.200 3.960 0.000 0.000 0.278 192 G HA3 0.240 4.200 3.960 0.000 0.000 0.278 192 G C 0.984 175.894 174.900 0.016 0.000 1.349 192 G CA 0.504 45.606 45.100 0.003 0.000 1.037 192 G HN 0.193 nan 8.290 nan 0.000 0.508 193 T N -3.398 111.170 114.554 0.023 0.000 3.003 193 T HA 0.135 4.485 4.350 0.000 0.000 0.261 193 T C 0.252 174.975 174.700 0.039 0.000 1.003 193 T CA 0.156 62.276 62.100 0.033 0.000 0.917 193 T CB 0.448 69.333 68.868 0.028 0.000 1.084 193 T HN 0.324 nan 8.240 nan 0.000 0.522 194 D N 2.330 122.750 120.400 0.034 0.000 2.393 194 D HA 0.161 4.801 4.640 0.000 0.000 0.232 194 D C 1.082 177.409 176.300 0.045 0.000 1.192 194 D CA -0.241 53.780 54.000 0.036 0.000 0.882 194 D CB 0.876 41.691 40.800 0.025 0.000 1.038 194 D HN 0.072 nan 8.370 nan 0.000 0.499 195 E N 2.800 123.043 120.200 0.071 0.000 2.265 195 E HA -0.160 4.190 4.350 0.000 0.000 0.196 195 E C 1.243 177.923 176.600 0.133 0.000 0.996 195 E CA 0.792 57.261 56.400 0.114 0.000 0.832 195 E CB 0.226 30.011 29.700 0.143 0.000 0.756 195 E HN 0.605 nan 8.360 nan 0.000 0.491 196 K N 0.461 120.926 120.400 0.108 0.000 2.217 196 K HA -0.071 4.249 4.320 0.000 0.000 0.202 196 K C 2.075 178.697 176.600 0.038 0.000 1.051 196 K CA 0.745 57.127 56.287 0.159 0.000 0.952 196 K CB 0.061 32.624 32.500 0.104 0.000 0.736 196 K HN -0.093 nan 8.250 nan 0.000 0.453 197 K N 1.465 121.837 120.400 -0.047 0.000 2.361 197 K HA 0.030 4.350 4.320 0.000 0.000 0.196 197 K C -0.079 176.376 176.600 -0.242 0.000 1.039 197 K CA 0.202 56.373 56.287 -0.192 0.000 1.001 197 K CB 0.416 32.850 32.500 -0.110 0.000 0.795 197 K HN -0.048 nan 8.250 nan 0.000 0.495 198 K N 0.830 121.153 120.400 -0.129 0.000 2.258 198 K HA 0.137 4.457 4.320 0.000 0.000 0.264 198 K C -0.826 175.593 176.600 -0.301 0.000 1.007 198 K CA -0.372 55.769 56.287 -0.243 0.000 0.941 198 K CB 0.889 33.196 32.500 -0.322 0.000 0.966 198 K HN -0.087 nan 8.250 nan 0.000 0.480 199 L N 3.222 124.176 121.223 -0.447 0.000 2.415 199 L HA 0.283 4.623 4.340 0.000 0.000 0.268 199 L C -1.623 174.967 176.870 -0.467 0.000 0.984 199 L CA -0.365 54.270 54.840 -0.341 0.000 0.853 199 L CB 0.629 42.553 42.059 -0.225 0.000 1.215 199 L HN 0.444 nan 8.230 nan 0.000 0.419 200 Y N 3.102 123.236 120.300 -0.277 0.000 2.319 200 Y HA 0.444 4.994 4.550 0.000 0.000 0.328 200 Y C 0.524 176.278 175.900 -0.243 0.000 1.133 200 Y CA -0.050 57.828 58.100 -0.370 0.000 1.265 200 Y CB 0.932 38.788 38.460 -1.006 0.000 1.218 200 Y HN 0.493 nan 8.280 nan 0.000 0.508 201 C N 4.405 123.763 119.300 0.096 0.000 2.435 201 C HA 0.722 5.182 4.460 0.000 0.000 0.333 201 C C -0.222 174.824 174.990 0.094 0.000 1.202 201 C CA -1.128 57.948 59.018 0.097 0.000 1.830 201 C CB 0.399 28.246 27.740 0.177 0.000 2.326 201 C HN 0.635 nan 8.230 nan 0.000 0.507 202 I N 2.032 122.640 120.570 0.065 0.000 2.478 202 I HA 0.263 4.433 4.170 0.000 0.000 0.287 202 I C -1.062 175.083 176.117 0.046 0.000 1.042 202 I CA -0.315 61.023 61.300 0.063 0.000 1.067 202 I CB 1.058 39.081 38.000 0.038 0.000 1.233 202 I HN 0.632 nan 8.210 nan 0.000 0.431 203 Y N 7.186 127.464 120.300 -0.037 0.000 2.369 203 Y HA 0.629 5.179 4.550 0.000 0.000 0.337 203 Y C -0.807 175.071 175.900 -0.037 0.000 0.961 203 Y CA -0.784 57.286 58.100 -0.051 0.000 1.186 203 Y CB 1.133 39.577 38.460 -0.027 0.000 1.139 203 Y HN 0.271 nan 8.280 nan 0.000 0.494 204 V N 6.570 126.181 119.914 -0.504 0.000 2.348 204 V HA 0.586 4.706 4.120 0.000 0.000 0.270 204 V C 0.156 175.953 176.094 -0.495 0.000 1.037 204 V CA -0.648 61.453 62.300 -0.333 0.000 0.872 204 V CB 0.597 32.341 31.823 -0.132 0.000 1.002 204 V HN 0.921 nan 8.190 nan 0.000 0.464 205 A N 6.913 129.576 122.820 -0.261 0.000 2.276 205 A HA 0.825 5.145 4.320 0.000 0.000 0.300 205 A C -0.557 177.003 177.584 -0.040 0.000 1.235 205 A CA -0.257 51.709 52.037 -0.117 0.000 0.867 205 A CB -0.027 19.038 19.000 0.109 0.000 1.137 205 A HN 0.766 nan 8.150 nan 0.000 0.527 206 I N 2.036 122.587 120.570 -0.031 0.000 2.410 206 I HA 0.562 4.732 4.170 0.000 0.000 0.286 206 I C 1.079 177.217 176.117 0.036 0.000 1.009 206 I CA 0.430 61.736 61.300 0.010 0.000 1.111 206 I CB 1.843 39.845 38.000 0.003 0.000 1.262 206 I HN 0.971 nan 8.210 nan 0.000 0.443 207 G N 3.571 112.402 108.800 0.052 0.000 2.184 207 G HA2 -0.236 3.724 3.960 0.000 0.000 0.264 207 G HA3 -0.236 3.724 3.960 0.000 0.000 0.264 207 G C 0.318 175.251 174.900 0.056 0.000 0.975 207 G CA -0.191 44.944 45.100 0.059 0.000 0.642 207 G HN 0.583 nan 8.290 nan 0.000 0.536 208 Q N 0.020 119.854 119.800 0.058 0.000 2.396 208 Q HA 0.441 4.781 4.340 0.000 0.000 0.221 208 Q C 0.462 176.496 176.000 0.057 0.000 1.025 208 Q CA -0.197 55.644 55.803 0.063 0.000 0.946 208 Q CB 0.685 29.474 28.738 0.085 0.000 1.224 208 Q HN 0.331 nan 8.270 nan 0.000 0.539 209 K N 1.088 121.520 120.400 0.054 0.000 2.270 209 K HA 0.051 4.371 4.320 0.000 0.000 0.276 209 K C 0.879 177.508 176.600 0.047 0.000 1.023 209 K CA -0.032 56.282 56.287 0.046 0.000 0.955 209 K CB 0.721 33.245 32.500 0.039 0.000 0.975 209 K HN 0.484 nan 8.250 nan 0.000 0.471 210 R N 1.388 121.912 120.500 0.041 0.000 2.105 210 R HA -0.183 4.157 4.340 0.000 0.000 0.239 210 R C 2.156 178.475 176.300 0.032 0.000 1.135 210 R CA 2.252 58.375 56.100 0.038 0.000 0.967 210 R CB -0.070 30.250 30.300 0.032 0.000 0.861 210 R HN 0.806 nan 8.270 nan 0.000 0.442 211 S N -0.960 114.756 115.700 0.027 0.000 2.368 211 S HA -0.136 4.334 4.470 0.000 0.000 0.225 211 S C 1.890 176.502 174.600 0.020 0.000 1.030 211 S CA 1.699 59.911 58.200 0.020 0.000 0.999 211 S CB -0.584 62.627 63.200 0.019 0.000 0.844 211 S HN 0.299 nan 8.310 nan 0.000 0.459 212 T N 2.508 117.080 114.554 0.031 0.000 2.708 212 T HA -0.038 4.312 4.350 0.000 0.000 0.266 212 T C 1.948 176.666 174.700 0.029 0.000 1.037 212 T CA 1.532 63.652 62.100 0.034 0.000 1.146 212 T CB -0.660 68.239 68.868 0.051 0.000 0.865 212 T HN 0.326 nan 8.240 nan 0.000 0.435 213 V N 1.854 121.797 119.914 0.047 0.000 2.343 213 V HA -0.143 3.977 4.120 0.000 0.000 0.247 213 V C 2.940 179.037 176.094 0.005 0.000 1.051 213 V CA 1.568 63.897 62.300 0.049 0.000 1.036 213 V CB -1.365 30.511 31.823 0.087 0.000 0.654 213 V HN 0.524 nan 8.190 nan 0.000 0.451 214 A N -0.524 122.300 122.820 0.006 0.000 1.883 214 A HA -0.327 3.993 4.320 0.000 0.000 0.217 214 A C 2.203 179.770 177.584 -0.029 0.000 1.186 214 A CA 2.213 54.245 52.037 -0.009 0.000 0.624 214 A CB -0.572 18.426 19.000 -0.003 0.000 0.822 214 A HN 0.611 nan 8.150 nan 0.000 0.444 215 Q N -1.008 118.777 119.800 -0.025 0.000 2.170 215 Q HA -0.086 4.254 4.340 0.000 0.000 0.203 215 Q C 2.081 178.041 176.000 -0.068 0.000 0.976 215 Q CA 1.009 56.788 55.803 -0.039 0.000 0.858 215 Q CB -0.205 28.521 28.738 -0.020 0.000 0.907 215 Q HN 0.580 nan 8.270 nan 0.000 0.433 216 L N 0.373 121.549 121.223 -0.077 0.000 1.994 216 L HA -0.130 4.210 4.340 0.000 0.000 0.208 216 L C 2.327 179.106 176.870 -0.151 0.000 1.071 216 L CA 1.660 56.416 54.840 -0.139 0.000 0.745 216 L CB -1.033 40.903 42.059 -0.205 0.000 0.892 216 L HN 0.241 nan 8.230 nan 0.000 0.431 217 V N -0.037 119.807 119.914 -0.116 0.000 2.407 217 V HA -0.281 3.839 4.120 0.000 0.000 0.248 217 V C 2.690 178.723 176.094 -0.101 0.000 1.055 217 V CA 2.209 64.447 62.300 -0.103 0.000 1.049 217 V CB -0.506 31.279 31.823 -0.063 0.000 0.662 217 V HN 0.522 nan 8.190 nan 0.000 0.455 218 K N -0.107 120.240 120.400 -0.090 0.000 2.032 218 K HA -0.290 4.030 4.320 0.000 0.000 0.209 218 K C 2.405 178.930 176.600 -0.124 0.000 1.048 218 K CA 2.199 58.430 56.287 -0.092 0.000 0.927 218 K CB -0.293 32.160 32.500 -0.078 0.000 0.712 218 K HN 0.456 nan 8.250 nan 0.000 0.441 219 R N 1.123 121.532 120.500 -0.150 0.000 2.073 219 R HA -0.053 4.287 4.340 0.000 0.000 0.234 219 R C 2.300 178.491 176.300 -0.182 0.000 1.134 219 R CA 1.421 57.395 56.100 -0.209 0.000 0.952 219 R CB -0.637 29.523 30.300 -0.234 0.000 0.850 219 R HN 0.252 nan 8.270 nan 0.000 0.433 220 L N -0.476 120.651 121.223 -0.159 0.000 2.046 220 L HA -0.165 4.175 4.340 0.000 0.000 0.208 220 L C 2.187 178.963 176.870 -0.156 0.000 1.077 220 L CA 1.928 56.673 54.840 -0.158 0.000 0.747 220 L CB -0.743 41.212 42.059 -0.173 0.000 0.896 220 L HN 0.315 nan 8.230 nan 0.000 0.432 221 T N -1.024 113.450 114.554 -0.135 0.000 2.708 221 T HA -0.181 4.169 4.350 0.000 0.000 0.266 221 T C 1.454 176.092 174.700 -0.103 0.000 1.037 221 T CA 1.483 63.515 62.100 -0.113 0.000 1.146 221 T CB -0.274 68.540 68.868 -0.089 0.000 0.865 221 T HN 0.294 nan 8.240 nan 0.000 0.435 222 D N 1.510 121.844 120.400 -0.110 0.000 2.182 222 D HA -0.014 4.626 4.640 0.000 0.000 0.201 222 D C 1.946 178.188 176.300 -0.095 0.000 0.986 222 D CA 1.050 54.988 54.000 -0.103 0.000 0.847 222 D CB -0.281 40.443 40.800 -0.126 0.000 0.942 222 D HN 0.451 nan 8.370 nan 0.000 0.467 223 A N 0.122 122.879 122.820 -0.105 0.000 2.278 223 A HA 0.046 4.366 4.320 0.000 0.000 0.212 223 A C 0.436 177.981 177.584 -0.065 0.000 1.213 223 A CA 0.314 52.304 52.037 -0.077 0.000 0.840 223 A CB 0.033 18.992 19.000 -0.068 0.000 0.866 223 A HN 0.032 nan 8.150 nan 0.000 0.489 224 D N -2.682 117.667 120.400 -0.085 0.000 2.772 224 D HA -0.214 4.426 4.640 0.000 0.000 0.233 224 D C 0.761 176.969 176.300 -0.153 0.000 1.143 224 D CA 1.066 55.016 54.000 -0.084 0.000 0.700 224 D CB -1.174 39.608 40.800 -0.031 0.000 1.076 224 D HN 0.525 nan 8.370 nan 0.000 0.430 225 A N -0.937 121.713 122.820 -0.282 0.000 2.229 225 A HA 0.189 4.509 4.320 0.000 0.000 0.211 225 A C 1.850 178.937 177.584 -0.828 0.000 1.193 225 A CA 0.778 52.409 52.037 -0.677 0.000 0.879 225 A CB -0.021 18.770 19.000 -0.348 0.000 0.911 225 A HN 0.275 nan 8.150 nan 0.000 0.492 226 M N 1.403 120.759 119.600 -0.408 0.000 2.213 226 M HA -0.116 4.364 4.480 0.000 0.000 0.263 226 M C 1.954 178.115 176.300 -0.231 0.000 1.062 226 M CA 1.923 57.060 55.300 -0.272 0.000 1.105 226 M CB -0.513 31.993 32.600 -0.156 0.000 1.385 226 M HN 0.507 nan 8.290 nan 0.000 0.417 227 K N -0.487 119.778 120.400 -0.226 0.000 2.280 227 K HA -0.178 4.142 4.320 0.000 0.000 0.202 227 K C 0.640 177.276 176.600 0.060 0.000 1.047 227 K CA 1.646 57.898 56.287 -0.058 0.000 0.942 227 K CB -0.746 31.756 32.500 0.004 0.000 0.739 227 K HN 0.592 nan 8.250 nan 0.000 0.457 228 Y N -0.244 120.101 120.300 0.074 0.000 2.681 228 Y HA 0.466 5.016 4.550 0.000 0.000 0.267 228 Y C -0.614 175.346 175.900 0.100 0.000 1.166 228 Y CA -1.100 57.075 58.100 0.124 0.000 1.209 228 Y CB -0.023 38.462 38.460 0.042 0.000 1.161 228 Y HN -0.213 nan 8.280 nan 0.000 0.534 229 T N 2.485 117.063 114.554 0.040 0.000 2.841 229 T HA 0.605 4.955 4.350 0.000 0.000 0.283 229 T C -0.596 174.146 174.700 0.070 0.000 1.000 229 T CA -0.442 61.689 62.100 0.051 0.000 0.977 229 T CB 1.912 70.742 68.868 -0.063 0.000 0.979 229 T HN 0.146 nan 8.240 nan 0.000 0.446 230 I N 2.423 123.055 120.570 0.104 0.000 2.354 230 I HA 0.450 4.620 4.170 0.000 0.000 0.292 230 I C -0.500 175.676 176.117 0.098 0.000 0.989 230 I CA -1.036 60.323 61.300 0.097 0.000 1.188 230 I CB 1.689 39.763 38.000 0.123 0.000 1.342 230 I HN 0.241 nan 8.210 nan 0.000 0.457 231 V N 7.310 127.275 119.914 0.085 0.000 2.370 231 V HA 0.322 4.442 4.120 0.000 0.000 0.283 231 V C 0.020 176.164 176.094 0.083 0.000 1.023 231 V CA -0.642 61.730 62.300 0.120 0.000 0.857 231 V CB 1.736 33.630 31.823 0.119 0.000 0.985 231 V HN 0.398 nan 8.190 nan 0.000 0.443 232 V N 4.159 124.115 119.914 0.070 0.000 2.370 232 V HA 0.541 4.661 4.120 0.000 0.000 0.283 232 V C 0.178 176.293 176.094 0.035 0.000 1.023 232 V CA -0.123 62.198 62.300 0.035 0.000 0.857 232 V CB 1.657 33.487 31.823 0.012 0.000 0.985 232 V HN 0.836 nan 8.190 nan 0.000 0.443 233 S N 3.747 119.470 115.700 0.038 0.000 2.605 233 S HA 0.794 5.264 4.470 0.000 0.000 0.308 233 S C -0.401 174.222 174.600 0.038 0.000 1.113 233 S CA -0.181 58.047 58.200 0.047 0.000 1.049 233 S CB 1.243 64.482 63.200 0.066 0.000 1.001 233 S HN 1.094 nan 8.310 nan 0.000 0.480 234 A N 4.149 126.993 122.820 0.038 0.000 2.483 234 A HA 0.639 4.959 4.320 0.000 0.000 0.308 234 A C 0.320 177.937 177.584 0.055 0.000 1.291 234 A CA -0.647 51.420 52.037 0.050 0.000 0.774 234 A CB 0.264 19.297 19.000 0.055 0.000 1.134 234 A HN 0.822 nan 8.150 nan 0.000 0.471 235 T N -0.948 113.640 114.554 0.056 0.000 2.849 235 T HA 0.582 4.932 4.350 0.000 0.000 0.276 235 T C 1.587 176.321 174.700 0.056 0.000 0.971 235 T CA 0.041 62.174 62.100 0.055 0.000 0.949 235 T CB 1.064 69.963 68.868 0.052 0.000 1.093 235 T HN 1.116 nan 8.240 nan 0.000 0.545 236 A N 0.758 123.609 122.820 0.052 0.000 1.986 236 A HA -0.083 4.237 4.320 0.000 0.000 0.220 236 A C 2.419 180.031 177.584 0.047 0.000 1.171 236 A CA 2.140 54.207 52.037 0.050 0.000 0.640 236 A CB -1.375 17.652 19.000 0.044 0.000 0.811 236 A HN 1.109 nan 8.150 nan 0.000 0.451 237 S N -0.876 114.850 115.700 0.043 0.000 2.575 237 S HA 0.092 4.562 4.470 0.000 0.000 0.215 237 S C -0.084 174.542 174.600 0.044 0.000 0.966 237 S CA -0.233 57.990 58.200 0.039 0.000 0.911 237 S CB -0.176 63.043 63.200 0.033 0.000 0.780 237 S HN 0.378 nan 8.310 nan 0.000 0.514 238 D N 2.853 123.285 120.400 0.054 0.000 2.345 238 D HA 0.536 5.176 4.640 0.000 0.000 0.247 238 D C 0.337 176.682 176.300 0.076 0.000 1.108 238 D CA 0.116 54.155 54.000 0.065 0.000 0.894 238 D CB 1.400 42.244 40.800 0.073 0.000 1.203 238 D HN 0.433 nan 8.370 nan 0.000 0.430 239 A N 1.673 124.541 122.820 0.081 0.000 2.561 239 A HA 0.285 4.606 4.320 0.000 0.000 0.234 239 A C 1.480 179.135 177.584 0.118 0.000 1.055 239 A CA 0.482 52.569 52.037 0.083 0.000 0.756 239 A CB 0.181 19.227 19.000 0.078 0.000 0.986 239 A HN 0.649 nan 8.150 nan 0.000 0.505 240 A N 3.498 126.379 122.820 0.102 0.000 1.927 240 A HA -0.103 4.217 4.320 0.000 0.000 0.220 240 A C -0.130 177.586 177.584 0.220 0.000 1.185 240 A CA 2.196 54.314 52.037 0.134 0.000 0.639 240 A CB -1.705 17.347 19.000 0.087 0.000 0.820 240 A HN 0.656 nan 8.150 nan 0.000 0.451 241 P HA -0.103 nan 4.420 nan 0.000 0.220 241 P C 1.342 178.986 177.300 0.573 0.000 1.148 241 P CA 0.760 64.094 63.100 0.389 0.000 0.803 241 P CB -0.106 31.716 31.700 0.204 0.000 0.782 242 L N -0.998 120.465 121.223 0.400 0.000 2.109 242 L HA -0.166 4.174 4.340 0.000 0.000 0.207 242 L C 2.589 179.573 176.870 0.191 0.000 1.086 242 L CA 1.443 56.446 54.840 0.272 0.000 0.760 242 L CB -0.834 41.337 42.059 0.186 0.000 0.910 242 L HN 0.005 nan 8.230 nan 0.000 0.437 243 Q N -1.056 118.866 119.800 0.202 0.000 2.079 243 Q HA -0.248 4.092 4.340 0.000 0.000 0.200 243 Q C 2.109 178.229 176.000 0.200 0.000 0.974 243 Q CA 1.754 57.654 55.803 0.162 0.000 0.840 243 Q CB -0.333 28.496 28.738 0.153 0.000 0.898 243 Q HN 0.482 nan 8.270 nan 0.000 0.430 244 Y N 1.547 121.952 120.300 0.176 0.000 2.128 244 Y HA -0.271 4.279 4.550 0.000 0.000 0.284 244 Y C 1.992 178.045 175.900 0.255 0.000 1.154 244 Y CA 1.388 59.622 58.100 0.224 0.000 1.149 244 Y CB -0.331 38.311 38.460 0.303 0.000 0.976 244 Y HN 0.112 nan 8.280 nan 0.000 0.505 245 L N 0.917 122.189 121.223 0.081 0.000 2.072 245 L HA 0.034 4.374 4.340 0.000 0.000 0.205 245 L C 2.528 179.368 176.870 -0.049 0.000 1.079 245 L CA 1.967 56.774 54.840 -0.055 0.000 0.752 245 L CB -1.494 40.501 42.059 -0.107 0.000 0.906 245 L HN 0.296 nan 8.230 nan 0.000 0.436 246 A N 0.399 123.194 122.820 -0.041 0.000 1.896 246 A HA -0.226 4.094 4.320 0.000 0.000 0.220 246 A C 0.145 177.680 177.584 -0.081 0.000 1.206 246 A CA 2.497 54.505 52.037 -0.049 0.000 0.647 246 A CB -2.257 16.733 19.000 -0.018 0.000 0.828 246 A HN 0.461 nan 8.150 nan 0.000 0.455 247 P HA -0.156 nan 4.420 nan 0.000 0.215 247 P C 0.969 178.091 177.300 -0.296 0.000 1.153 247 P CA 1.409 64.341 63.100 -0.281 0.000 0.853 247 P CB -0.242 31.002 31.700 -0.760 0.000 0.788 248 Y N -0.560 119.635 120.300 -0.174 0.000 2.242 248 Y HA -0.130 4.420 4.550 0.000 0.000 0.291 248 Y C 2.641 178.491 175.900 -0.083 0.000 1.137 248 Y CA 1.266 59.271 58.100 -0.159 0.000 1.181 248 Y CB -1.189 37.120 38.460 -0.251 0.000 0.989 248 Y HN -0.082 nan 8.280 nan 0.000 0.527 249 S N -0.078 115.648 115.700 0.043 0.000 2.356 249 S HA -0.170 4.300 4.470 0.000 0.000 0.223 249 S C 2.412 177.030 174.600 0.031 0.000 1.032 249 S CA 1.240 59.445 58.200 0.009 0.000 1.005 249 S CB -1.026 62.153 63.200 -0.036 0.000 0.867 249 S HN 0.663 nan 8.310 nan 0.000 0.449 250 G N 0.138 108.962 108.800 0.039 0.000 2.418 250 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 250 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 250 G C 1.740 176.695 174.900 0.090 0.000 1.158 250 G CA 1.075 46.209 45.100 0.057 0.000 0.771 250 G HN 0.587 nan 8.290 nan 0.000 0.545 251 C N 0.730 120.109 119.300 0.132 0.000 2.432 251 C HA -0.037 4.423 4.460 0.000 0.000 0.277 251 C C 3.287 178.346 174.990 0.115 0.000 1.249 251 C CA 1.779 60.887 59.018 0.149 0.000 1.725 251 C CB -0.984 26.851 27.740 0.157 0.000 2.028 251 C HN 0.372 nan 8.230 nan 0.000 0.477 252 S N 0.656 116.412 115.700 0.092 0.000 2.383 252 S HA -0.201 4.269 4.470 0.000 0.000 0.229 252 S C 1.717 176.370 174.600 0.087 0.000 1.030 252 S CA 2.125 60.370 58.200 0.075 0.000 1.002 252 S CB -0.419 62.808 63.200 0.045 0.000 0.829 252 S HN 0.672 nan 8.310 nan 0.000 0.467 253 M N 1.011 120.663 119.600 0.088 0.000 2.159 253 M HA -0.042 4.438 4.480 0.000 0.000 0.263 253 M C 2.471 178.923 176.300 0.254 0.000 1.063 253 M CA 1.437 56.804 55.300 0.111 0.000 1.110 253 M CB -0.778 31.881 32.600 0.099 0.000 1.374 253 M HN 0.459 nan 8.290 nan 0.000 0.411 254 G N 0.061 109.010 108.800 0.249 0.000 2.402 254 G HA2 -0.176 3.784 3.960 0.000 0.000 0.216 254 G HA3 -0.176 3.784 3.960 0.000 0.000 0.216 254 G C 1.324 176.392 174.900 0.280 0.000 1.162 254 G CA 0.599 45.890 45.100 0.318 0.000 0.777 254 G HN 0.480 nan 8.290 nan 0.000 0.539 255 E N -0.541 119.760 120.200 0.169 0.000 2.204 255 E HA -0.172 4.178 4.350 0.000 0.000 0.195 255 E C 1.953 178.590 176.600 0.062 0.000 0.990 255 E CA 0.797 57.260 56.400 0.105 0.000 0.821 255 E CB -0.264 29.483 29.700 0.078 0.000 0.750 255 E HN 0.620 nan 8.360 nan 0.000 0.477 256 Y N 0.628 120.891 120.300 -0.061 0.000 2.114 256 Y HA -0.313 4.237 4.550 0.000 0.000 0.282 256 Y C 1.678 177.423 175.900 -0.259 0.000 1.165 256 Y CA 1.762 59.731 58.100 -0.218 0.000 1.148 256 Y CB -0.468 37.756 38.460 -0.393 0.000 0.972 256 Y HN -0.046 nan 8.280 nan 0.000 0.504 257 F N 0.075 119.908 119.950 -0.195 0.000 2.113 257 F HA -0.088 4.439 4.527 0.000 0.000 0.297 257 F C 2.819 178.488 175.800 -0.218 0.000 1.103 257 F CA 1.695 59.535 58.000 -0.268 0.000 1.248 257 F CB -0.703 38.283 39.000 -0.022 0.000 0.999 257 F HN -0.107 nan 8.300 nan 0.000 0.475 258 R N 0.712 121.256 120.500 0.074 0.000 2.096 258 R HA -0.206 4.134 4.340 0.000 0.000 0.240 258 R C 1.264 177.531 176.300 -0.055 0.000 1.139 258 R CA 2.293 58.395 56.100 0.004 0.000 0.952 258 R CB -0.462 29.862 30.300 0.039 0.000 0.854 258 R HN 0.189 nan 8.270 nan 0.000 0.436 259 D N -0.522 119.832 120.400 -0.078 0.000 2.355 259 D HA -0.054 4.586 4.640 0.000 0.000 0.218 259 D C 0.580 176.796 176.300 -0.140 0.000 1.004 259 D CA 0.557 54.518 54.000 -0.065 0.000 0.880 259 D CB -0.136 40.647 40.800 -0.028 0.000 0.911 259 D HN 0.194 nan 8.370 nan 0.000 0.528 260 N N -0.021 118.521 118.700 -0.263 0.000 2.276 260 N HA 0.111 4.851 4.740 0.000 0.000 0.212 260 N C 0.910 176.313 175.510 -0.179 0.000 1.127 260 N CA 0.389 53.263 53.050 -0.294 0.000 0.834 260 N CB 0.210 38.342 38.487 -0.591 0.000 1.014 260 N HN 0.069 nan 8.380 nan 0.000 0.491 261 G N 0.241 108.957 108.800 -0.140 0.000 2.153 261 G HA2 -0.300 3.660 3.960 0.000 0.000 0.252 261 G HA3 -0.300 3.660 3.960 0.000 0.000 0.252 261 G C 0.063 174.849 174.900 -0.190 0.000 0.994 261 G CA 0.617 45.640 45.100 -0.128 0.000 0.698 261 G HN 0.436 nan 8.290 nan 0.000 0.521 262 K N -0.782 119.498 120.400 -0.199 0.000 2.312 262 K HA 0.691 5.011 4.320 0.000 0.000 0.236 262 K C -0.489 175.906 176.600 -0.343 0.000 1.079 262 K CA -1.034 55.155 56.287 -0.164 0.000 0.900 262 K CB 1.163 33.765 32.500 0.171 0.000 1.297 262 K HN 0.291 nan 8.250 nan 0.000 0.498 263 H N -0.392 118.765 119.070 0.146 0.000 2.547 263 H HA 0.517 5.073 4.556 0.000 0.000 0.342 263 H C -1.061 174.288 175.328 0.035 0.000 1.048 263 H CA -0.733 55.350 56.048 0.059 0.000 1.204 263 H CB 1.952 31.696 29.762 -0.029 0.000 1.493 263 H HN 0.675 nan 8.280 nan 0.000 0.511 264 A N 2.965 125.859 122.820 0.123 0.000 2.380 264 A HA 0.589 4.909 4.320 0.000 0.000 0.315 264 A C -1.228 176.370 177.584 0.023 0.000 1.101 264 A CA -0.711 51.342 52.037 0.026 0.000 0.771 264 A CB 1.843 20.895 19.000 0.087 0.000 1.287 264 A HN 0.481 nan 8.150 nan 0.000 0.436 265 L N 1.701 122.917 121.223 -0.011 0.000 2.356 265 L HA 0.813 5.153 4.340 0.000 0.000 0.277 265 L C -1.118 175.721 176.870 -0.052 0.000 0.996 265 L CA -0.392 54.433 54.840 -0.025 0.000 0.822 265 L CB 1.328 43.376 42.059 -0.019 0.000 1.256 265 L HN 0.694 nan 8.230 nan 0.000 0.413 266 I N 5.187 125.680 120.570 -0.128 0.000 2.509 266 I HA 0.572 4.742 4.170 0.000 0.000 0.293 266 I C -1.237 174.627 176.117 -0.422 0.000 1.020 266 I CA -0.569 60.561 61.300 -0.284 0.000 1.088 266 I CB 1.578 39.340 38.000 -0.397 0.000 1.267 266 I HN 0.650 nan 8.210 nan 0.000 0.430 267 I N 7.522 127.839 120.570 -0.422 0.000 2.406 267 I HA 0.280 4.450 4.170 0.000 0.000 0.290 267 I C -1.279 174.495 176.117 -0.572 0.000 0.999 267 I CA -0.317 60.754 61.300 -0.381 0.000 1.124 267 I CB 1.350 39.287 38.000 -0.106 0.000 1.289 267 I HN 0.403 nan 8.210 nan 0.000 0.441 268 Y N 4.144 124.324 120.300 -0.200 0.000 2.504 268 Y HA 0.338 4.888 4.550 0.000 0.000 0.339 268 Y C -0.087 175.674 175.900 -0.232 0.000 0.974 268 Y CA -0.684 57.269 58.100 -0.245 0.000 1.232 268 Y CB 0.713 39.033 38.460 -0.233 0.000 1.108 268 Y HN 0.412 nan 8.280 nan 0.000 0.509 269 D N 3.917 124.206 120.400 -0.185 0.000 2.458 269 D HA 0.179 4.819 4.640 0.000 0.000 0.258 269 D C -1.319 174.934 176.300 -0.078 0.000 1.134 269 D CA -0.393 53.525 54.000 -0.137 0.000 0.915 269 D CB 0.262 40.947 40.800 -0.192 0.000 1.028 269 D HN 0.705 nan 8.370 nan 0.000 0.508 270 D N 0.087 120.470 120.400 -0.028 0.000 2.552 270 D HA 0.228 4.868 4.640 0.000 0.000 0.239 270 D C 0.892 177.171 176.300 -0.035 0.000 1.139 270 D CA -0.744 53.241 54.000 -0.025 0.000 0.914 270 D CB 1.118 41.916 40.800 -0.005 0.000 1.461 270 D HN 0.041 nan 8.370 nan 0.000 0.462 271 L N 0.331 121.498 121.223 -0.094 0.000 2.376 271 L HA -0.040 4.300 4.340 0.000 0.000 0.219 271 L C 1.761 178.621 176.870 -0.017 0.000 1.133 271 L CA 0.590 55.325 54.840 -0.175 0.000 0.816 271 L CB -0.383 41.338 42.059 -0.563 0.000 0.933 271 L HN 0.442 nan 8.230 nan 0.000 0.449 272 S N 0.191 115.897 115.700 0.010 0.000 2.356 272 S HA -0.168 4.302 4.470 0.000 0.000 0.223 272 S C 1.932 176.609 174.600 0.128 0.000 1.032 272 S CA 1.269 59.518 58.200 0.082 0.000 1.005 272 S CB -0.057 63.184 63.200 0.069 0.000 0.867 272 S HN 0.396 nan 8.310 nan 0.000 0.449 273 K N 1.027 121.485 120.400 0.097 0.000 2.148 273 K HA -0.058 4.262 4.320 0.000 0.000 0.204 273 K C 2.450 179.132 176.600 0.138 0.000 1.050 273 K CA 0.786 57.139 56.287 0.109 0.000 0.942 273 K CB -0.144 32.403 32.500 0.078 0.000 0.724 273 K HN 0.331 nan 8.250 nan 0.000 0.446 274 Q N 0.781 120.659 119.800 0.129 0.000 2.084 274 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 274 Q C 2.064 178.212 176.000 0.246 0.000 0.978 274 Q CA 1.653 57.556 55.803 0.167 0.000 0.844 274 Q CB -0.090 28.709 28.738 0.102 0.000 0.898 274 Q HN 0.326 nan 8.270 nan 0.000 0.426 275 A N 0.001 122.974 122.820 0.255 0.000 1.933 275 A HA -0.129 4.191 4.320 0.000 0.000 0.218 275 A C 2.233 180.061 177.584 0.407 0.000 1.175 275 A CA 1.479 53.670 52.037 0.258 0.000 0.628 275 A CB -0.671 18.400 19.000 0.119 0.000 0.814 275 A HN 0.297 nan 8.150 nan 0.000 0.444 276 V N -0.212 119.905 119.914 0.339 0.000 2.343 276 V HA -0.254 3.866 4.120 0.000 0.000 0.247 276 V C 3.065 179.270 176.094 0.185 0.000 1.051 276 V CA 1.939 64.392 62.300 0.256 0.000 1.036 276 V CB -1.174 30.757 31.823 0.179 0.000 0.654 276 V HN 0.624 nan 8.190 nan 0.000 0.451 277 A N -1.047 121.893 122.820 0.199 0.000 1.908 277 A HA -0.285 4.035 4.320 0.000 0.000 0.218 277 A C 2.173 179.878 177.584 0.202 0.000 1.181 277 A CA 2.181 54.329 52.037 0.185 0.000 0.627 277 A CB -0.782 18.349 19.000 0.219 0.000 0.818 277 A HN 0.618 nan 8.150 nan 0.000 0.445 278 Y N 0.246 120.626 120.300 0.132 0.000 2.242 278 Y HA -0.145 4.405 4.550 0.000 0.000 0.291 278 Y C 2.508 178.435 175.900 0.045 0.000 1.137 278 Y CA 1.847 59.986 58.100 0.066 0.000 1.181 278 Y CB -0.374 38.158 38.460 0.121 0.000 0.989 278 Y HN 0.336 nan 8.280 nan 0.000 0.527 279 R N 0.264 120.822 120.500 0.096 0.000 2.091 279 R HA -0.249 4.091 4.340 0.000 0.000 0.238 279 R C 2.434 178.668 176.300 -0.109 0.000 1.136 279 R CA 1.898 57.983 56.100 -0.026 0.000 0.959 279 R CB -0.390 29.896 30.300 -0.024 0.000 0.856 279 R HN 0.551 nan 8.270 nan 0.000 0.437 280 Q N 0.336 120.101 119.800 -0.059 0.000 2.030 280 Q HA -0.236 4.104 4.340 0.000 0.000 0.204 280 Q C 2.099 178.029 176.000 -0.116 0.000 0.986 280 Q CA 2.309 58.071 55.803 -0.067 0.000 0.843 280 Q CB -0.115 28.611 28.738 -0.020 0.000 0.904 280 Q HN 0.419 nan 8.270 nan 0.000 0.420 281 M N -0.071 119.435 119.600 -0.156 0.000 2.080 281 M HA -0.185 4.295 4.480 0.000 0.000 0.260 281 M C 2.380 178.515 176.300 -0.276 0.000 1.068 281 M CA 1.794 56.963 55.300 -0.218 0.000 1.109 281 M CB -0.129 32.300 32.600 -0.286 0.000 1.342 281 M HN 0.141 nan 8.290 nan 0.000 0.405 282 S N 0.679 116.142 115.700 -0.394 0.000 2.368 282 S HA -0.032 4.438 4.470 0.000 0.000 0.224 282 S C 1.871 176.359 174.600 -0.187 0.000 1.029 282 S CA 1.076 59.066 58.200 -0.351 0.000 0.988 282 S CB -0.394 62.542 63.200 -0.440 0.000 0.838 282 S HN 0.379 nan 8.310 nan 0.000 0.462 283 L N 1.026 122.157 121.223 -0.152 0.000 2.093 283 L HA -0.010 4.330 4.340 0.000 0.000 0.208 283 L C 2.112 178.929 176.870 -0.087 0.000 1.085 283 L CA 0.846 55.625 54.840 -0.101 0.000 0.755 283 L CB -0.521 41.484 42.059 -0.090 0.000 0.904 283 L HN 0.278 nan 8.230 nan 0.000 0.435 284 L N -0.557 120.609 121.223 -0.096 0.000 2.201 284 L HA -0.176 4.164 4.340 0.000 0.000 0.212 284 L C 2.190 179.013 176.870 -0.078 0.000 1.105 284 L CA 0.926 55.718 54.840 -0.079 0.000 0.775 284 L CB -0.257 41.754 42.059 -0.079 0.000 0.913 284 L HN 0.298 nan 8.230 nan 0.000 0.440 285 L N -0.368 120.797 121.223 -0.097 0.000 2.599 285 L HA 0.022 4.362 4.340 0.000 0.000 0.230 285 L C 0.709 177.541 176.870 -0.063 0.000 1.141 285 L CA 0.188 54.979 54.840 -0.082 0.000 0.877 285 L CB -0.174 41.824 42.059 -0.103 0.000 1.009 285 L HN 0.277 nan 8.230 nan 0.000 0.447 286 R N -0.270 120.193 120.500 -0.062 0.000 3.651 286 R HA -0.177 4.163 4.340 0.000 0.000 0.292 286 R C -0.091 176.185 176.300 -0.040 0.000 1.161 286 R CA 0.346 56.418 56.100 -0.046 0.000 0.787 286 R CB -2.084 28.195 30.300 -0.035 0.000 1.249 286 R HN 0.377 nan 8.270 nan 0.000 0.476 287 R N 1.303 121.773 120.500 -0.050 0.000 2.490 287 R HA 0.193 4.533 4.340 0.000 0.000 0.280 287 R C -2.059 174.229 176.300 -0.021 0.000 1.077 287 R CA -1.673 54.407 56.100 -0.033 0.000 1.065 287 R CB 0.354 30.627 30.300 -0.046 0.000 1.003 287 R HN -0.101 nan 8.270 nan 0.000 0.470 288 P HA 0.084 nan 4.420 nan 0.000 0.271 288 P C -2.323 174.986 177.300 0.016 0.000 1.233 288 P CA -0.966 62.136 63.100 0.003 0.000 0.764 288 P CB 0.206 31.911 31.700 0.009 0.000 0.825 289 P HA 0.367 nan 4.420 nan 0.000 0.279 289 P C 0.216 177.534 177.300 0.030 0.000 1.252 289 P CA -0.181 62.933 63.100 0.024 0.000 0.811 289 P CB 1.388 33.084 31.700 -0.007 0.000 1.035 290 G N 0.686 109.520 108.800 0.057 0.000 3.392 290 G HA2 0.287 4.247 3.960 0.000 0.000 0.185 290 G HA3 0.287 4.247 3.960 0.000 0.000 0.185 290 G C -0.536 174.360 174.900 -0.007 0.000 1.206 290 G CA -0.774 44.334 45.100 0.014 0.000 0.776 290 G HN 0.374 nan 8.290 nan 0.000 0.697 291 R N 1.270 121.707 120.500 -0.105 0.000 2.504 291 R HA 0.155 4.495 4.340 0.000 0.000 0.291 291 R C 0.000 176.379 176.300 0.131 0.000 0.974 291 R CA 0.774 56.799 56.100 -0.125 0.000 1.077 291 R CB -0.129 29.838 30.300 -0.556 0.000 0.926 291 R HN 0.674 nan 8.270 nan 0.000 0.407 292 E N 2.157 122.415 120.200 0.096 0.000 2.539 292 E HA -0.346 4.004 4.350 0.000 0.000 0.253 292 E C 0.301 176.846 176.600 -0.091 0.000 1.145 292 E CA 0.424 56.872 56.400 0.080 0.000 0.738 292 E CB -1.059 28.801 29.700 0.266 0.000 1.308 292 E HN 0.892 nan 8.360 nan 0.000 0.409 293 A N -2.164 120.630 122.820 -0.043 0.000 2.945 293 A HA -0.312 4.008 4.320 0.000 0.000 0.263 293 A C 0.114 177.644 177.584 -0.090 0.000 1.293 293 A CA 1.795 53.781 52.037 -0.084 0.000 0.944 293 A CB -2.188 16.735 19.000 -0.129 0.000 1.093 293 A HN 0.477 nan 8.150 nan 0.000 0.786 294 Y N 0.516 120.894 120.300 0.131 0.000 2.379 294 Y HA 0.419 4.970 4.550 0.000 0.000 0.337 294 Y C -1.163 174.837 175.900 0.166 0.000 1.238 294 Y CA -1.081 57.126 58.100 0.179 0.000 1.405 294 Y CB 0.431 39.081 38.460 0.317 0.000 1.310 294 Y HN 0.262 nan 8.280 nan 0.000 0.569 295 P HA 0.044 nan 4.420 nan 0.000 0.276 295 P C 0.439 177.913 177.300 0.290 0.000 1.252 295 P CA -0.147 63.087 63.100 0.223 0.000 0.802 295 P CB 0.948 32.739 31.700 0.150 0.000 1.035 296 G N 1.138 110.072 108.800 0.224 0.000 2.509 296 G HA2 -0.189 3.771 3.960 0.000 0.000 0.218 296 G HA3 -0.189 3.771 3.960 0.000 0.000 0.218 296 G C 0.660 175.715 174.900 0.258 0.000 1.124 296 G CA 0.464 45.702 45.100 0.230 0.000 0.776 296 G HN 0.623 nan 8.290 nan 0.000 0.547 297 D N 0.178 120.745 120.400 0.279 0.000 2.358 297 D HA 0.079 4.719 4.640 0.000 0.000 0.224 297 D C 1.784 178.243 176.300 0.264 0.000 1.123 297 D CA -0.361 53.829 54.000 0.316 0.000 0.833 297 D CB 0.107 41.117 40.800 0.350 0.000 0.946 297 D HN 0.103 nan 8.370 nan 0.000 0.505 298 V N -0.102 119.946 119.914 0.222 0.000 2.515 298 V HA -0.126 3.994 4.120 0.000 0.000 0.250 298 V C 1.814 177.819 176.094 -0.150 0.000 1.058 298 V CA 1.205 63.517 62.300 0.020 0.000 1.064 298 V CB -0.708 31.107 31.823 -0.014 0.000 0.675 298 V HN 0.225 nan 8.190 nan 0.000 0.461 299 F N 0.207 120.086 119.950 -0.117 0.000 2.102 299 F HA -0.227 4.300 4.527 0.000 0.000 0.298 299 F C 2.182 177.992 175.800 0.017 0.000 1.105 299 F CA 2.428 60.382 58.000 -0.077 0.000 1.239 299 F CB -0.755 38.244 39.000 -0.001 0.000 0.991 299 F HN 0.346 nan 8.300 nan 0.000 0.474 300 Y N 0.821 121.037 120.300 -0.139 0.000 2.274 300 Y HA -0.181 4.369 4.550 0.000 0.000 0.290 300 Y C 2.150 177.903 175.900 -0.245 0.000 1.145 300 Y CA 1.534 59.508 58.100 -0.210 0.000 1.203 300 Y CB -0.970 37.504 38.460 0.024 0.000 0.984 300 Y HN 0.261 nan 8.280 nan 0.000 0.533 301 L N -0.147 120.866 121.223 -0.350 0.000 2.013 301 L HA -0.299 4.041 4.340 0.000 0.000 0.212 301 L C 2.192 178.862 176.870 -0.335 0.000 1.073 301 L CA 2.509 57.083 54.840 -0.444 0.000 0.753 301 L CB -0.770 40.947 42.059 -0.570 0.000 0.890 301 L HN 0.377 nan 8.230 nan 0.000 0.432 302 H N -2.046 116.811 119.070 -0.356 0.000 2.465 302 H HA -0.009 4.547 4.556 0.000 0.000 0.289 302 H C 2.382 177.463 175.328 -0.412 0.000 1.022 302 H CA 0.730 56.548 56.048 -0.384 0.000 1.340 302 H CB 0.101 29.663 29.762 -0.333 0.000 1.437 302 H HN 0.543 nan 8.280 nan 0.000 0.539 303 S N 1.719 117.154 115.700 -0.442 0.000 2.355 303 S HA -0.222 4.248 4.470 0.000 0.000 0.222 303 S C 2.136 176.615 174.600 -0.203 0.000 1.031 303 S CA 1.173 59.112 58.200 -0.434 0.000 0.993 303 S CB -0.240 62.490 63.200 -0.784 0.000 0.859 303 S HN 0.537 nan 8.310 nan 0.000 0.453 304 R N 0.740 121.113 120.500 -0.212 0.000 2.115 304 R HA 0.070 4.410 4.340 0.000 0.000 0.230 304 R C 2.341 178.592 176.300 -0.083 0.000 1.111 304 R CA 1.278 57.296 56.100 -0.137 0.000 0.976 304 R CB -0.801 29.301 30.300 -0.330 0.000 0.870 304 R HN 0.460 nan 8.270 nan 0.000 0.445 305 L N 1.236 122.392 121.223 -0.112 0.000 2.005 305 L HA -0.025 4.315 4.340 0.000 0.000 0.207 305 L C 2.152 178.939 176.870 -0.138 0.000 1.072 305 L CA 1.614 56.356 54.840 -0.163 0.000 0.744 305 L CB -0.244 41.536 42.059 -0.464 0.000 0.895 305 L HN 0.213 nan 8.230 nan 0.000 0.433 306 L N -0.733 120.402 121.223 -0.146 0.000 2.313 306 L HA -0.051 4.289 4.340 0.000 0.000 0.214 306 L C 2.432 179.292 176.870 -0.016 0.000 1.119 306 L CA 0.402 55.205 54.840 -0.061 0.000 0.809 306 L CB -0.588 41.424 42.059 -0.078 0.000 0.933 306 L HN 0.296 nan 8.230 nan 0.000 0.449 307 E N 0.601 120.785 120.200 -0.028 0.000 2.267 307 E HA -0.209 4.141 4.350 0.000 0.000 0.197 307 E C 2.119 178.723 176.600 0.007 0.000 0.998 307 E CA 0.969 57.367 56.400 -0.003 0.000 0.830 307 E CB 0.028 29.730 29.700 0.004 0.000 0.751 307 E HN 0.508 nan 8.360 nan 0.000 0.491 308 R N 0.297 120.805 120.500 0.015 0.000 2.200 308 R HA 0.104 4.444 4.340 0.000 0.000 0.208 308 R C 0.958 177.282 176.300 0.041 0.000 1.033 308 R CA 0.378 56.495 56.100 0.029 0.000 1.000 308 R CB 0.088 30.413 30.300 0.042 0.000 0.906 308 R HN -0.078 nan 8.270 nan 0.000 0.462 309 A N 1.462 124.313 122.820 0.051 0.000 2.491 309 A HA 0.520 4.840 4.320 0.000 0.000 0.261 309 A C -0.129 177.470 177.584 0.026 0.000 1.101 309 A CA 0.262 52.327 52.037 0.047 0.000 0.772 309 A CB 0.109 19.142 19.000 0.054 0.000 1.043 309 A HN 0.329 nan 8.150 nan 0.000 0.501 310 A N 2.545 125.378 122.820 0.022 0.000 2.612 310 A HA 0.704 5.024 4.320 0.000 0.000 0.293 310 A C -0.782 176.809 177.584 0.012 0.000 1.075 310 A CA -0.778 51.262 52.037 0.005 0.000 0.680 310 A CB 1.113 20.103 19.000 -0.017 0.000 1.279 310 A HN 0.868 nan 8.150 nan 0.000 0.411 311 K N 1.644 122.046 120.400 0.004 0.000 2.265 311 K HA 0.643 4.963 4.320 0.000 0.000 0.267 311 K C -0.656 175.939 176.600 -0.008 0.000 0.994 311 K CA -0.332 55.965 56.287 0.017 0.000 0.860 311 K CB 0.572 33.086 32.500 0.022 0.000 1.099 311 K HN 0.602 nan 8.250 nan 0.000 0.448 312 M N 3.142 122.742 119.600 0.001 0.000 2.314 312 M HA 0.242 4.722 4.480 0.000 0.000 0.342 312 M C 0.206 176.524 176.300 0.030 0.000 1.171 312 M CA -0.915 54.375 55.300 -0.016 0.000 1.098 312 M CB 0.602 33.214 32.600 0.021 0.000 1.559 312 M HN 0.772 nan 8.290 nan 0.000 0.459 313 N N 1.072 119.795 118.700 0.039 0.000 2.354 313 N HA 0.028 4.768 4.740 0.000 0.000 0.246 313 N C 0.080 175.667 175.510 0.128 0.000 1.285 313 N CA -0.062 53.038 53.050 0.084 0.000 0.925 313 N CB 0.474 39.016 38.487 0.092 0.000 1.174 313 N HN 0.418 nan 8.380 nan 0.000 0.478 314 D N -0.446 120.011 120.400 0.095 0.000 2.178 314 D HA -0.079 4.561 4.640 0.000 0.000 0.201 314 D C 1.661 178.004 176.300 0.073 0.000 0.980 314 D CA 1.593 55.636 54.000 0.073 0.000 0.842 314 D CB -0.607 40.221 40.800 0.047 0.000 0.948 314 D HN 0.718 nan 8.370 nan 0.000 0.472 315 A N -0.233 122.646 122.820 0.099 0.000 2.019 315 A HA -0.125 4.195 4.320 0.000 0.000 0.219 315 A C 1.536 179.086 177.584 -0.056 0.000 1.164 315 A CA 0.780 52.835 52.037 0.031 0.000 0.644 315 A CB -0.637 18.393 19.000 0.051 0.000 0.805 315 A HN 0.162 nan 8.150 nan 0.000 0.449 316 F N -1.172 118.770 119.950 -0.015 0.000 2.693 316 F HA 0.373 4.900 4.527 0.000 0.000 0.303 316 F C 1.798 177.577 175.800 -0.035 0.000 1.097 316 F CA 0.649 58.636 58.000 -0.022 0.000 1.330 316 F CB 0.505 39.495 39.000 -0.017 0.000 1.067 316 F HN 0.359 nan 8.300 nan 0.000 0.565 317 G N -0.619 108.230 108.800 0.082 0.000 2.238 317 G HA2 -0.109 3.851 3.960 0.000 0.000 0.217 317 G HA3 -0.109 3.851 3.960 0.000 0.000 0.217 317 G C 1.232 176.141 174.900 0.015 0.000 0.996 317 G CA -0.131 44.982 45.100 0.022 0.000 0.632 317 G HN 0.990 nan 8.290 nan 0.000 0.503 318 G N -0.423 108.406 108.800 0.049 0.000 2.148 318 G HA2 0.185 4.145 3.960 0.000 0.000 0.254 318 G HA3 0.185 4.145 3.960 0.000 0.000 0.254 318 G C 1.452 176.347 174.900 -0.008 0.000 0.981 318 G CA 1.099 46.223 45.100 0.041 0.000 0.670 318 G HN 2.079 nan 8.290 nan 0.000 0.528 319 G N -0.525 108.223 108.800 -0.087 0.000 2.621 319 G HA2 0.747 4.707 3.960 0.000 0.000 0.271 319 G HA3 0.747 4.707 3.960 0.000 0.000 0.271 319 G C 0.300 175.148 174.900 -0.086 0.000 1.236 319 G CA 0.900 45.848 45.100 -0.253 0.000 0.958 319 G HN 1.846 nan 8.290 nan 0.000 0.512 320 S N -1.725 113.942 115.700 -0.055 0.000 2.570 320 S HA 0.601 5.071 4.470 0.000 0.000 0.270 320 S C -1.559 173.096 174.600 0.092 0.000 1.149 320 S CA -0.806 57.450 58.200 0.094 0.000 0.837 320 S CB 1.916 65.255 63.200 0.232 0.000 1.124 320 S HN 1.115 nan 8.310 nan 0.000 0.465 321 L N 1.627 122.895 121.223 0.074 0.000 2.376 321 L HA 0.740 5.080 4.340 0.000 0.000 0.275 321 L C -0.732 176.165 176.870 0.046 0.000 0.987 321 L CA 0.217 55.099 54.840 0.070 0.000 0.828 321 L CB 1.862 43.965 42.059 0.074 0.000 1.249 321 L HN 0.927 nan 8.230 nan 0.000 0.409 322 T N 4.193 118.764 114.554 0.028 0.000 2.829 322 T HA 0.853 5.203 4.350 0.000 0.000 0.282 322 T C -0.380 174.309 174.700 -0.019 0.000 0.990 322 T CA -0.236 61.868 62.100 0.006 0.000 1.028 322 T CB 1.448 70.312 68.868 -0.007 0.000 0.951 322 T HN 0.808 nan 8.240 nan 0.000 0.460 323 A N 3.083 125.896 122.820 -0.011 0.000 2.355 323 A HA 0.772 5.092 4.320 0.000 0.000 0.317 323 A C -0.689 176.880 177.584 -0.026 0.000 1.094 323 A CA -0.752 51.262 52.037 -0.037 0.000 0.764 323 A CB 0.717 19.762 19.000 0.076 0.000 1.230 323 A HN 0.849 nan 8.150 nan 0.000 0.448 324 L N 4.247 125.427 121.223 -0.072 0.000 2.445 324 L HA 0.334 4.674 4.340 0.000 0.000 0.252 324 L C -2.332 174.528 176.870 -0.017 0.000 1.105 324 L CA -1.744 53.078 54.840 -0.030 0.000 0.943 324 L CB 1.372 43.415 42.059 -0.027 0.000 1.277 324 L HN 0.488 nan 8.230 nan 0.000 0.465 325 P HA 0.140 nan 4.420 nan 0.000 0.274 325 P C -0.521 176.783 177.300 0.007 0.000 1.231 325 P CA -0.150 62.999 63.100 0.082 0.000 0.790 325 P CB 2.008 33.725 31.700 0.028 0.000 0.951 326 V N 3.982 123.890 119.914 -0.010 0.000 2.495 326 V HA 0.408 4.528 4.120 0.000 0.000 0.298 326 V C 0.336 176.412 176.094 -0.031 0.000 1.031 326 V CA -0.587 61.706 62.300 -0.011 0.000 0.871 326 V CB 1.672 33.494 31.823 -0.001 0.000 0.988 326 V HN 0.423 nan 8.190 nan 0.000 0.432 327 I N 3.424 123.988 120.570 -0.010 0.000 2.545 327 I HA 0.450 4.620 4.170 0.000 0.000 0.292 327 I C -0.097 176.037 176.117 0.028 0.000 1.040 327 I CA -0.409 60.889 61.300 -0.004 0.000 1.068 327 I CB 2.180 40.175 38.000 -0.008 0.000 1.251 327 I HN 0.751 nan 8.210 nan 0.000 0.424 328 E N 4.862 125.083 120.200 0.034 0.000 2.134 328 E HA 0.380 4.730 4.350 0.000 0.000 0.278 328 E C -0.617 176.022 176.600 0.065 0.000 0.959 328 E CA -0.391 56.034 56.400 0.043 0.000 0.783 328 E CB 1.210 30.931 29.700 0.036 0.000 1.095 328 E HN 0.692 nan 8.360 nan 0.000 0.399 329 T N 1.981 116.584 114.554 0.081 0.000 2.918 329 T HA 0.285 4.635 4.350 0.000 0.000 0.283 329 T C 0.053 174.802 174.700 0.082 0.000 1.001 329 T CA -1.010 61.151 62.100 0.101 0.000 1.041 329 T CB 1.455 70.418 68.868 0.159 0.000 1.028 329 T HN 0.331 nan 8.240 nan 0.000 0.511 330 Q N 0.749 120.600 119.800 0.085 0.000 2.368 330 Q HA 0.516 4.856 4.340 0.000 0.000 0.256 330 Q C 0.585 176.628 176.000 0.073 0.000 0.980 330 Q CA 0.054 55.900 55.803 0.071 0.000 0.887 330 Q CB 0.907 29.687 28.738 0.070 0.000 1.221 330 Q HN 1.198 nan 8.270 nan 0.000 0.458 331 A N 2.472 125.330 122.820 0.064 0.000 2.822 331 A HA -0.153 4.167 4.320 0.000 0.000 0.287 331 A C 1.112 178.753 177.584 0.095 0.000 1.479 331 A CA 1.397 53.473 52.037 0.064 0.000 0.779 331 A CB -2.116 16.914 19.000 0.049 0.000 1.022 331 A HN 1.507 nan 8.150 nan 0.000 0.532 332 G N -1.357 107.528 108.800 0.142 0.000 2.148 332 G HA2 -0.178 3.782 3.960 0.000 0.000 0.254 332 G HA3 -0.178 3.782 3.960 0.000 0.000 0.254 332 G C -0.078 174.927 174.900 0.175 0.000 0.981 332 G CA 1.080 46.332 45.100 0.254 0.000 0.670 332 G HN 1.799 nan 8.290 nan 0.000 0.528 333 D N 0.646 121.112 120.400 0.110 0.000 2.422 333 D HA 0.407 5.047 4.640 0.000 0.000 0.227 333 D C 1.761 178.086 176.300 0.042 0.000 1.190 333 D CA 0.285 54.320 54.000 0.058 0.000 0.905 333 D CB 0.712 41.547 40.800 0.058 0.000 1.034 333 D HN 0.620 nan 8.370 nan 0.000 0.507 334 V N 1.700 121.599 119.914 -0.025 0.000 3.573 334 V HA 0.003 4.123 4.120 0.000 0.000 0.270 334 V C 1.474 177.556 176.094 -0.020 0.000 1.221 334 V CA 1.171 63.441 62.300 -0.051 0.000 1.163 334 V CB -0.496 31.209 31.823 -0.196 0.000 0.847 334 V HN 0.468 nan 8.190 nan 0.000 0.468 335 S N 0.321 116.020 115.700 -0.002 0.000 2.575 335 S HA 0.501 4.971 4.470 0.000 0.000 0.215 335 S C 1.109 175.743 174.600 0.056 0.000 0.966 335 S CA 0.250 58.460 58.200 0.017 0.000 0.911 335 S CB -0.241 62.963 63.200 0.007 0.000 0.780 335 S HN 1.091 nan 8.310 nan 0.000 0.514 336 A N 0.967 123.830 122.820 0.073 0.000 2.366 336 A HA 0.430 4.750 4.320 0.000 0.000 0.250 336 A C 0.788 178.473 177.584 0.169 0.000 1.099 336 A CA -0.239 51.869 52.037 0.119 0.000 0.794 336 A CB -0.369 18.703 19.000 0.121 0.000 1.056 336 A HN 0.498 nan 8.150 nan 0.000 0.499 337 Y N 0.097 120.426 120.300 0.047 0.000 2.070 337 Y HA -0.230 4.320 4.550 0.000 0.000 0.280 337 Y C 1.865 177.764 175.900 -0.001 0.000 1.148 337 Y CA 1.900 60.018 58.100 0.030 0.000 1.125 337 Y CB -0.023 38.471 38.460 0.056 0.000 0.975 337 Y HN 0.508 nan 8.280 nan 0.000 0.492 338 I N 0.422 120.932 120.570 -0.099 0.000 2.202 338 I HA -0.149 4.021 4.170 0.000 0.000 0.242 338 I C -0.613 175.467 176.117 -0.063 0.000 1.091 338 I CA 1.055 62.223 61.300 -0.219 0.000 1.368 338 I CB -2.879 34.977 38.000 -0.240 0.000 1.058 338 I HN 0.196 nan 8.210 nan 0.000 0.410 339 P HA -0.165 nan 4.420 nan 0.000 0.214 339 P C 1.869 179.181 177.300 0.020 0.000 1.163 339 P CA 2.645 65.756 63.100 0.018 0.000 0.889 339 P CB -0.316 31.407 31.700 0.038 0.000 0.790 340 T N -3.395 111.181 114.554 0.036 0.000 2.788 340 T HA -0.163 4.187 4.350 0.000 0.000 0.268 340 T C 1.728 176.466 174.700 0.063 0.000 1.044 340 T CA 1.426 63.554 62.100 0.047 0.000 1.139 340 T CB -1.278 67.631 68.868 0.069 0.000 0.867 340 T HN -0.038 nan 8.240 nan 0.000 0.454 341 N N 1.437 120.168 118.700 0.051 0.000 2.061 341 N HA -0.080 4.660 4.740 0.000 0.000 0.193 341 N C 1.948 177.558 175.510 0.166 0.000 1.030 341 N CA 1.420 54.552 53.050 0.135 0.000 0.856 341 N CB -0.860 37.642 38.487 0.024 0.000 1.023 341 N HN 0.373 nan 8.380 nan 0.000 0.424 342 V N 1.238 121.191 119.914 0.065 0.000 2.548 342 V HA -0.065 4.055 4.120 0.000 0.000 0.249 342 V C 2.194 178.307 176.094 0.032 0.000 1.055 342 V CA 0.823 63.133 62.300 0.017 0.000 1.065 342 V CB -0.349 31.432 31.823 -0.070 0.000 0.681 342 V HN 0.228 nan 8.190 nan 0.000 0.462 343 I N 1.399 121.992 120.570 0.037 0.000 2.286 343 I HA -0.215 3.955 4.170 0.000 0.000 0.248 343 I C 2.466 178.618 176.117 0.058 0.000 1.115 343 I CA 1.892 63.213 61.300 0.035 0.000 1.392 343 I CB -0.406 37.605 38.000 0.019 0.000 1.065 343 I HN 0.479 nan 8.210 nan 0.000 0.418 344 S N -0.013 115.744 115.700 0.096 0.000 2.607 344 S HA 0.099 4.569 4.470 0.000 0.000 0.224 344 S C 1.530 176.243 174.600 0.188 0.000 0.969 344 S CA 0.345 58.621 58.200 0.128 0.000 0.927 344 S CB -0.336 62.941 63.200 0.128 0.000 0.772 344 S HN 0.443 nan 8.310 nan 0.000 0.533 345 I N 1.318 121.976 120.570 0.147 0.000 3.136 345 I HA 0.076 4.246 4.170 0.000 0.000 0.262 345 I C 1.484 177.630 176.117 0.048 0.000 1.132 345 I CA 0.561 61.919 61.300 0.098 0.000 1.450 345 I CB -0.397 37.609 38.000 0.010 0.000 1.315 345 I HN 0.319 nan 8.210 nan 0.000 0.460 346 T N -1.323 113.249 114.554 0.031 0.000 2.698 346 T HA 0.084 4.434 4.350 0.000 0.000 0.295 346 T C 0.152 174.868 174.700 0.027 0.000 1.007 346 T CA -0.335 61.778 62.100 0.021 0.000 0.980 346 T CB 0.548 69.424 68.868 0.013 0.000 1.036 346 T HN 0.033 nan 8.240 nan 0.000 0.526 347 D N 0.580 120.993 120.400 0.022 0.000 2.894 347 D HA 0.457 5.097 4.640 0.000 0.000 0.248 347 D C 0.893 177.205 176.300 0.021 0.000 1.291 347 D CA 0.243 54.256 54.000 0.021 0.000 0.840 347 D CB -0.242 40.569 40.800 0.017 0.000 1.044 347 D HN 1.030 nan 8.370 nan 0.000 0.484 348 G N 0.747 109.561 108.800 0.023 0.000 2.381 348 G HA2 0.098 4.058 3.960 0.000 0.000 0.672 348 G HA3 0.098 4.058 3.960 0.000 0.000 0.672 348 G C -1.581 173.337 174.900 0.031 0.000 1.324 348 G CA -1.072 44.043 45.100 0.025 0.000 0.975 348 G HN 0.105 nan 8.290 nan 0.000 0.593 349 Q N -1.205 118.620 119.800 0.041 0.000 2.379 349 Q HA 0.737 5.077 4.340 0.000 0.000 0.278 349 Q C -0.544 175.507 176.000 0.085 0.000 1.068 349 Q CA -0.616 55.224 55.803 0.061 0.000 0.816 349 Q CB 2.435 31.213 28.738 0.068 0.000 1.387 349 Q HN 0.696 nan 8.270 nan 0.000 0.413 350 I N 1.983 122.610 120.570 0.095 0.000 2.312 350 I HA 0.358 4.528 4.170 0.000 0.000 0.290 350 I C -1.025 175.194 176.117 0.170 0.000 1.008 350 I CA -0.656 60.709 61.300 0.108 0.000 1.226 350 I CB 0.558 38.596 38.000 0.065 0.000 1.371 350 I HN 0.496 nan 8.210 nan 0.000 0.468 351 F N 8.138 128.101 119.950 0.022 0.000 2.404 351 F HA 0.547 5.074 4.527 0.000 0.000 0.354 351 F C -0.783 175.034 175.800 0.029 0.000 1.122 351 F CA -0.722 57.291 58.000 0.022 0.000 1.080 351 F CB 0.713 39.727 39.000 0.024 0.000 1.131 351 F HN 0.199 nan 8.300 nan 0.000 0.471 352 L N 5.685 126.577 121.223 -0.552 0.000 2.295 352 L HA 0.463 4.803 4.340 0.000 0.000 0.285 352 L C -0.340 176.040 176.870 -0.817 0.000 1.035 352 L CA -0.556 53.991 54.840 -0.488 0.000 0.806 352 L CB 1.633 43.541 42.059 -0.251 0.000 1.214 352 L HN 0.564 nan 8.230 nan 0.000 0.426 353 E N 1.151 121.057 120.200 -0.490 0.000 2.176 353 E HA 0.231 4.581 4.350 0.000 0.000 0.267 353 E C 0.165 176.711 176.600 -0.089 0.000 0.893 353 E CA -0.401 55.783 56.400 -0.361 0.000 0.761 353 E CB 1.831 31.428 29.700 -0.171 0.000 1.133 353 E HN 0.643 nan 8.360 nan 0.000 0.409 354 T N 3.176 117.696 114.554 -0.055 0.000 2.665 354 T HA -0.229 4.121 4.350 0.000 0.000 0.268 354 T C 1.440 176.237 174.700 0.161 0.000 1.035 354 T CA 1.528 63.662 62.100 0.056 0.000 1.151 354 T CB -0.054 68.830 68.868 0.028 0.000 0.862 354 T HN 0.589 nan 8.240 nan 0.000 0.438 355 E N 0.535 120.796 120.200 0.103 0.000 2.085 355 E HA -0.139 4.211 4.350 0.000 0.000 0.194 355 E C 2.178 178.879 176.600 0.169 0.000 0.994 355 E CA 0.981 57.453 56.400 0.119 0.000 0.801 355 E CB -0.199 29.544 29.700 0.073 0.000 0.743 355 E HN 0.464 nan 8.360 nan 0.000 0.453 356 L N -0.263 121.041 121.223 0.135 0.000 2.027 356 L HA -0.153 4.187 4.340 0.000 0.000 0.206 356 L C 2.470 179.429 176.870 0.149 0.000 1.074 356 L CA 0.996 55.910 54.840 0.122 0.000 0.745 356 L CB -0.503 41.609 42.059 0.087 0.000 0.898 356 L HN 0.191 nan 8.230 nan 0.000 0.433 357 F N -0.295 119.674 119.950 0.031 0.000 2.126 357 F HA -0.333 4.194 4.527 0.000 0.000 0.299 357 F C 2.533 178.369 175.800 0.060 0.000 1.096 357 F CA 1.630 59.646 58.000 0.027 0.000 1.255 357 F CB -0.349 38.659 39.000 0.013 0.000 0.997 357 F HN -0.006 nan 8.300 nan 0.000 0.479 358 Y N 0.939 121.316 120.300 0.129 0.000 2.242 358 Y HA -0.162 4.388 4.550 0.000 0.000 0.291 358 Y C 2.167 178.051 175.900 -0.027 0.000 1.137 358 Y CA 1.815 59.943 58.100 0.047 0.000 1.181 358 Y CB -0.348 38.161 38.460 0.081 0.000 0.989 358 Y HN -0.045 nan 8.280 nan 0.000 0.527 359 K N -0.640 119.823 120.400 0.105 0.000 2.504 359 K HA 0.082 4.402 4.320 0.000 0.000 0.195 359 K C 1.249 177.799 176.600 -0.083 0.000 1.036 359 K CA 0.742 57.043 56.287 0.024 0.000 0.984 359 K CB -0.165 32.383 32.500 0.080 0.000 0.788 359 K HN 0.538 nan 8.250 nan 0.000 0.488 360 G N 1.186 109.890 108.800 -0.159 0.000 2.159 360 G HA2 -0.187 3.774 3.960 0.000 0.000 0.227 360 G HA3 -0.187 3.774 3.960 0.000 0.000 0.227 360 G C 0.045 174.859 174.900 -0.143 0.000 0.986 360 G CA -0.481 44.497 45.100 -0.204 0.000 0.651 360 G HN 0.126 nan 8.290 nan 0.000 0.523 361 I N 1.238 121.760 120.570 -0.080 0.000 2.494 361 I HA 0.373 4.543 4.170 0.000 0.000 0.289 361 I C 0.849 176.946 176.117 -0.034 0.000 1.106 361 I CA 0.504 61.786 61.300 -0.030 0.000 1.369 361 I CB 0.349 38.362 38.000 0.022 0.000 1.410 361 I HN 0.158 nan 8.210 nan 0.000 0.523 362 R N 7.719 128.194 120.500 -0.041 0.000 2.533 362 R HA 0.408 4.748 4.340 0.000 0.000 0.288 362 R C -2.563 173.732 176.300 -0.008 0.000 1.039 362 R CA -1.501 54.587 56.100 -0.020 0.000 0.909 362 R CB 2.791 33.040 30.300 -0.085 0.000 1.195 362 R HN 0.321 nan 8.270 nan 0.000 0.438 363 P HA 0.015 nan 4.420 nan 0.000 0.269 363 P C -0.455 176.881 177.300 0.060 0.000 1.209 363 P CA -0.082 63.045 63.100 0.045 0.000 0.776 363 P CB 1.013 32.729 31.700 0.027 0.000 0.876 364 A N 4.139 127.023 122.820 0.106 0.000 2.728 364 A HA 0.176 4.496 4.320 0.000 0.000 0.258 364 A C 0.791 178.387 177.584 0.020 0.000 1.454 364 A CA -0.330 51.765 52.037 0.097 0.000 1.146 364 A CB -1.445 17.680 19.000 0.208 0.000 0.985 364 A HN 0.482 nan 8.150 nan 0.000 0.603 365 I N 1.264 121.850 120.570 0.027 0.000 2.452 365 I HA 0.013 4.183 4.170 0.000 0.000 0.287 365 I C 0.503 176.654 176.117 0.056 0.000 1.079 365 I CA -0.355 60.961 61.300 0.027 0.000 1.387 365 I CB 0.542 38.567 38.000 0.041 0.000 1.404 365 I HN 0.323 nan 8.210 nan 0.000 0.522 366 N N 6.599 125.349 118.700 0.083 0.000 2.399 366 N HA 0.047 4.787 4.740 0.000 0.000 0.259 366 N C 0.791 176.385 175.510 0.139 0.000 1.160 366 N CA 0.057 53.194 53.050 0.145 0.000 0.946 366 N CB 1.340 39.992 38.487 0.275 0.000 1.156 366 N HN 0.413 nan 8.380 nan 0.000 0.489 367 V N 4.204 124.182 119.914 0.108 0.000 2.255 367 V HA -0.190 3.930 4.120 0.000 0.000 0.247 367 V C 2.384 178.531 176.094 0.089 0.000 1.051 367 V CA 2.352 64.706 62.300 0.091 0.000 1.018 367 V CB -1.013 30.860 31.823 0.084 0.000 0.641 367 V HN 0.777 nan 8.190 nan 0.000 0.445 368 G N -0.664 108.189 108.800 0.088 0.000 2.442 368 G HA2 -0.209 3.751 3.960 0.000 0.000 0.219 368 G HA3 -0.209 3.751 3.960 0.000 0.000 0.219 368 G C 1.551 176.488 174.900 0.062 0.000 1.141 368 G CA 0.852 45.992 45.100 0.068 0.000 0.763 368 G HN 0.480 nan 8.290 nan 0.000 0.554 369 L N 0.774 122.050 121.223 0.088 0.000 2.446 369 L HA 0.159 4.499 4.340 0.000 0.000 0.219 369 L C 0.932 177.846 176.870 0.073 0.000 1.116 369 L CA -0.208 54.668 54.840 0.061 0.000 0.844 369 L CB 0.072 42.167 42.059 0.060 0.000 0.970 369 L HN 0.043 nan 8.230 nan 0.000 0.457 370 S N -0.327 115.439 115.700 0.111 0.000 2.584 370 S HA 0.487 4.957 4.470 0.000 0.000 0.273 370 S C -0.218 174.419 174.600 0.061 0.000 1.311 370 S CA -0.429 57.832 58.200 0.101 0.000 1.034 370 S CB 2.034 65.300 63.200 0.110 0.000 0.939 370 S HN -0.087 nan 8.310 nan 0.000 0.513 371 V N 1.515 121.459 119.914 0.051 0.000 2.808 371 V HA 0.566 4.686 4.120 0.000 0.000 0.308 371 V C -0.457 175.656 176.094 0.032 0.000 1.099 371 V CA -0.775 61.546 62.300 0.035 0.000 0.920 371 V CB 2.127 33.965 31.823 0.024 0.000 1.014 371 V HN 0.771 nan 8.190 nan 0.000 0.425 372 S N 2.796 118.512 115.700 0.027 0.000 2.566 372 S HA 0.450 4.920 4.470 0.000 0.000 0.324 372 S C 0.877 175.487 174.600 0.017 0.000 1.081 372 S CA -0.684 57.529 58.200 0.022 0.000 1.105 372 S CB 0.948 64.160 63.200 0.019 0.000 0.981 372 S HN 0.714 nan 8.310 nan 0.000 0.464 373 R N 2.496 123.006 120.500 0.016 0.000 2.148 373 R HA 0.015 4.355 4.340 0.000 0.000 0.223 373 R C 1.407 177.714 176.300 0.011 0.000 1.088 373 R CA 1.508 57.617 56.100 0.014 0.000 0.985 373 R CB -0.115 30.194 30.300 0.016 0.000 0.880 373 R HN 0.618 nan 8.270 nan 0.000 0.451 374 V N -5.053 114.867 119.914 0.010 0.000 3.382 374 V HA 0.397 4.517 4.120 0.000 0.000 0.296 374 V C 1.336 177.432 176.094 0.003 0.000 1.529 374 V CA 0.454 62.757 62.300 0.006 0.000 1.048 374 V CB 0.775 32.601 31.823 0.006 0.000 0.878 374 V HN 0.143 nan 8.190 nan 0.000 0.442 375 G N 0.574 109.376 108.800 0.004 0.000 2.511 375 G HA2 -0.140 3.820 3.960 0.000 0.000 0.217 375 G HA3 -0.140 3.820 3.960 0.000 0.000 0.217 375 G C 1.512 176.412 174.900 -0.001 0.000 1.133 375 G CA 1.144 46.244 45.100 -0.000 0.000 0.792 375 G HN 0.550 nan 8.290 nan 0.000 0.539 376 S N 0.879 116.581 115.700 0.003 0.000 2.382 376 S HA 0.031 4.501 4.470 0.000 0.000 0.228 376 S C 2.619 177.219 174.600 -0.000 0.000 1.027 376 S CA 1.533 59.735 58.200 0.004 0.000 0.991 376 S CB -0.338 62.866 63.200 0.007 0.000 0.823 376 S HN 0.474 nan 8.310 nan 0.000 0.469 377 A N 0.163 122.982 122.820 -0.002 0.000 2.172 377 A HA 0.471 4.792 4.320 0.000 0.000 0.216 377 A C 1.607 179.183 177.584 -0.013 0.000 1.154 377 A CA 1.154 53.188 52.037 -0.005 0.000 0.701 377 A CB -0.542 18.456 19.000 -0.004 0.000 0.789 377 A HN 0.738 nan 8.150 nan 0.000 0.465 378 A N -0.761 122.049 122.820 -0.016 0.000 2.827 378 A HA 0.502 4.822 4.320 0.000 0.000 0.300 378 A C 0.183 177.750 177.584 -0.028 0.000 1.237 378 A CA -0.246 51.773 52.037 -0.029 0.000 0.964 378 A CB -0.149 18.830 19.000 -0.034 0.000 1.143 378 A HN 0.476 nan 8.150 nan 0.000 0.554 379 Q N 0.791 120.580 119.800 -0.018 0.000 2.365 379 Q HA 0.464 4.804 4.340 0.000 0.000 0.269 379 Q C 0.009 176.002 176.000 -0.011 0.000 1.061 379 Q CA -0.555 55.241 55.803 -0.011 0.000 0.816 379 Q CB 1.789 30.527 28.738 0.000 0.000 1.325 379 Q HN 0.519 nan 8.270 nan 0.000 0.446 380 T N 0.094 114.642 114.554 -0.009 0.000 2.903 380 T HA 0.060 4.410 4.350 0.000 0.000 0.314 380 T C 0.950 175.652 174.700 0.003 0.000 1.078 380 T CA -0.414 61.682 62.100 -0.006 0.000 1.114 380 T CB 1.016 69.883 68.868 -0.002 0.000 0.987 380 T HN 0.728 nan 8.240 nan 0.000 0.548 381 R N 2.192 122.694 120.500 0.003 0.000 2.096 381 R HA -0.009 4.331 4.340 0.000 0.000 0.235 381 R C 2.508 178.819 176.300 0.017 0.000 1.127 381 R CA 2.048 58.154 56.100 0.010 0.000 0.968 381 R CB -1.469 28.835 30.300 0.007 0.000 0.861 381 R HN 0.874 nan 8.270 nan 0.000 0.440 382 A N 0.370 123.199 122.820 0.015 0.000 1.892 382 A HA -0.239 4.081 4.320 0.000 0.000 0.218 382 A C 2.187 179.792 177.584 0.035 0.000 1.188 382 A CA 2.165 54.215 52.037 0.022 0.000 0.631 382 A CB -0.652 18.355 19.000 0.011 0.000 0.822 382 A HN 0.467 nan 8.150 nan 0.000 0.447 383 M N -0.481 119.137 119.600 0.029 0.000 2.156 383 M HA -0.003 4.477 4.480 0.000 0.000 0.264 383 M C 1.866 178.186 176.300 0.034 0.000 1.067 383 M CA 1.743 57.064 55.300 0.035 0.000 1.131 383 M CB -0.486 32.130 32.600 0.027 0.000 1.368 383 M HN 0.347 nan 8.290 nan 0.000 0.416 384 K N -0.287 120.129 120.400 0.025 0.000 2.127 384 K HA -0.267 4.053 4.320 0.000 0.000 0.208 384 K C 1.984 178.602 176.600 0.029 0.000 1.047 384 K CA 2.073 58.374 56.287 0.023 0.000 0.927 384 K CB -0.149 32.361 32.500 0.017 0.000 0.716 384 K HN 0.589 nan 8.250 nan 0.000 0.450 385 Q N -0.284 119.539 119.800 0.038 0.000 1.941 385 Q HA -0.139 4.201 4.340 0.000 0.000 0.201 385 Q C 2.159 178.190 176.000 0.052 0.000 0.982 385 Q CA 1.913 57.745 55.803 0.047 0.000 0.839 385 Q CB -0.185 28.590 28.738 0.062 0.000 0.904 385 Q HN 0.305 nan 8.270 nan 0.000 0.427 386 V N -2.013 117.944 119.914 0.072 0.000 2.809 386 V HA -0.006 4.114 4.120 0.000 0.000 0.256 386 V C 1.873 177.994 176.094 0.044 0.000 1.080 386 V CA 1.579 63.923 62.300 0.073 0.000 1.102 386 V CB -0.875 31.024 31.823 0.126 0.000 0.705 386 V HN 0.326 nan 8.190 nan 0.000 0.475 387 A N 1.065 123.909 122.820 0.041 0.000 2.021 387 A HA 0.305 4.625 4.320 0.000 0.000 0.216 387 A C 2.282 179.881 177.584 0.024 0.000 1.163 387 A CA 1.146 53.202 52.037 0.031 0.000 0.676 387 A CB -1.028 17.990 19.000 0.031 0.000 0.818 387 A HN 0.618 nan 8.150 nan 0.000 0.453 388 G N -0.798 108.016 108.800 0.023 0.000 2.402 388 G HA2 -0.184 3.776 3.960 0.000 0.000 0.216 388 G HA3 -0.184 3.776 3.960 0.000 0.000 0.216 388 G C 1.692 176.600 174.900 0.014 0.000 1.162 388 G CA 1.803 46.915 45.100 0.019 0.000 0.777 388 G HN 0.514 nan 8.290 nan 0.000 0.539 389 T N -0.339 114.221 114.554 0.011 0.000 2.951 389 T HA -0.040 4.310 4.350 0.000 0.000 0.268 389 T C 2.312 177.010 174.700 -0.003 0.000 1.073 389 T CA 1.557 63.657 62.100 0.001 0.000 1.134 389 T CB -0.206 68.657 68.868 -0.008 0.000 0.884 389 T HN 0.274 nan 8.240 nan 0.000 0.479 390 M N 0.131 119.731 119.600 0.000 0.000 2.200 390 M HA 0.066 4.546 4.480 0.000 0.000 0.265 390 M C 2.350 178.655 176.300 0.009 0.000 1.066 390 M CA 1.668 56.966 55.300 -0.003 0.000 1.127 390 M CB -0.233 32.368 32.600 0.001 0.000 1.379 390 M HN 0.150 nan 8.290 nan 0.000 0.420 391 K N 0.261 120.672 120.400 0.018 0.000 2.063 391 K HA -0.222 4.098 4.320 0.000 0.000 0.208 391 K C 1.922 178.539 176.600 0.028 0.000 1.048 391 K CA 1.688 57.990 56.287 0.026 0.000 0.928 391 K CB -0.309 32.205 32.500 0.025 0.000 0.713 391 K HN 0.386 nan 8.250 nan 0.000 0.442 392 L N 1.805 123.040 121.223 0.020 0.000 2.027 392 L HA -0.128 4.212 4.340 0.000 0.000 0.206 392 L C 1.768 178.653 176.870 0.026 0.000 1.074 392 L CA 1.811 56.663 54.840 0.020 0.000 0.745 392 L CB -0.277 41.789 42.059 0.011 0.000 0.898 392 L HN 0.199 nan 8.230 nan 0.000 0.433 393 E N -0.895 119.314 120.200 0.016 0.000 2.268 393 E HA -0.158 4.192 4.350 0.000 0.000 0.195 393 E C 2.177 178.806 176.600 0.048 0.000 0.995 393 E CA 0.847 57.256 56.400 0.015 0.000 0.836 393 E CB -0.051 29.636 29.700 -0.021 0.000 0.763 393 E HN 0.509 nan 8.360 nan 0.000 0.491 394 L N -0.153 121.106 121.223 0.059 0.000 2.249 394 L HA 0.062 4.402 4.340 0.000 0.000 0.207 394 L C 2.388 179.352 176.870 0.156 0.000 1.090 394 L CA 0.424 55.338 54.840 0.124 0.000 0.802 394 L CB -0.090 42.022 42.059 0.088 0.000 0.947 394 L HN 0.092 nan 8.230 nan 0.000 0.453 395 A N -0.480 122.395 122.820 0.091 0.000 2.015 395 A HA -0.194 4.126 4.320 0.000 0.000 0.219 395 A C 2.041 179.663 177.584 0.063 0.000 1.163 395 A CA 1.192 53.269 52.037 0.068 0.000 0.646 395 A CB -0.268 18.759 19.000 0.044 0.000 0.806 395 A HN 0.463 nan 8.150 nan 0.000 0.448 396 Q N -2.597 117.249 119.800 0.077 0.000 2.403 396 Q HA 0.039 4.379 4.340 0.000 0.000 0.203 396 Q C 1.194 177.261 176.000 0.112 0.000 0.932 396 Q CA 0.543 56.387 55.803 0.069 0.000 0.945 396 Q CB 0.020 28.790 28.738 0.053 0.000 1.045 396 Q HN 0.881 nan 8.270 nan 0.000 0.511 397 Y N -0.516 119.784 120.300 -0.000 0.000 2.462 397 Y HA 0.234 4.784 4.550 0.000 0.000 0.253 397 Y C 1.215 177.118 175.900 0.005 0.000 1.095 397 Y CA 0.092 58.192 58.100 0.000 0.000 1.283 397 Y CB 0.551 39.011 38.460 -0.001 0.000 1.138 397 Y HN -0.232 nan 8.280 nan 0.000 0.522 398 R N 1.347 121.791 120.500 -0.093 0.000 2.346 398 R HA 0.027 4.367 4.340 0.000 0.000 0.225 398 R C 0.775 176.993 176.300 -0.137 0.000 0.987 398 R CA 0.877 56.882 56.100 -0.159 0.000 1.106 398 R CB 0.038 30.324 30.300 -0.024 0.000 1.090 398 R HN 0.554 nan 8.270 nan 0.000 0.502 399 E N -1.153 118.964 120.200 -0.138 0.000 2.603 399 E HA -0.041 4.309 4.350 0.000 0.000 0.218 399 E C 1.146 177.685 176.600 -0.101 0.000 0.878 399 E CA 0.379 56.722 56.400 -0.095 0.000 1.348 399 E CB 0.023 29.694 29.700 -0.048 0.000 1.318 399 E HN 0.176 nan 8.360 nan 0.000 0.673 400 V N -1.216 118.621 119.914 -0.129 0.000 3.608 400 V HA 0.549 4.669 4.120 0.000 0.000 0.269 400 V C 1.191 177.200 176.094 -0.143 0.000 1.245 400 V CA 0.196 62.439 62.300 -0.095 0.000 1.138 400 V CB -0.088 31.717 31.823 -0.030 0.000 0.841 400 V HN 0.293 nan 8.190 nan 0.000 0.451 411 D N 1.858 122.257 120.400 -0.001 0.000 2.382 411 D HA 0.240 4.880 4.640 0.000 0.000 0.245 411 D C 0.942 177.241 176.300 -0.002 0.000 1.120 411 D CA 0.161 54.159 54.000 -0.002 0.000 0.890 411 D CB 1.837 42.636 40.800 -0.002 0.000 1.201 411 D HN 0.650 nan 8.370 nan 0.000 0.433 412 A N 2.363 125.180 122.820 -0.004 0.000 2.019 412 A HA 0.007 4.327 4.320 0.000 0.000 0.219 412 A C 2.174 179.754 177.584 -0.006 0.000 1.164 412 A CA 1.728 53.761 52.037 -0.007 0.000 0.644 412 A CB -0.689 18.306 19.000 -0.010 0.000 0.805 412 A HN 0.734 nan 8.150 nan 0.000 0.449 413 A N -0.348 122.470 122.820 -0.004 0.000 1.930 413 A HA -0.063 4.257 4.320 0.000 0.000 0.217 413 A C 2.260 179.845 177.584 0.002 0.000 1.175 413 A CA 2.264 54.299 52.037 -0.003 0.000 0.627 413 A CB -0.893 18.106 19.000 -0.003 0.000 0.815 413 A HN 0.762 nan 8.150 nan 0.000 0.443 414 T N -3.869 110.688 114.554 0.005 0.000 3.040 414 T HA 0.146 4.496 4.350 0.000 0.000 0.250 414 T C 1.613 176.325 174.700 0.021 0.000 1.058 414 T CA 0.688 62.797 62.100 0.014 0.000 0.988 414 T CB 0.163 69.037 68.868 0.010 0.000 0.993 414 T HN 0.466 nan 8.240 nan 0.000 0.519 415 Q N 0.464 120.271 119.800 0.011 0.000 2.172 415 Q HA -0.077 4.263 4.340 0.000 0.000 0.200 415 Q C 2.385 178.390 176.000 0.008 0.000 0.964 415 Q CA 1.120 56.929 55.803 0.011 0.000 0.855 415 Q CB -0.032 28.706 28.738 0.001 0.000 0.918 415 Q HN 0.494 nan 8.270 nan 0.000 0.444 416 Q N 0.145 119.945 119.800 -0.000 0.000 2.137 416 Q HA -0.048 4.292 4.340 0.000 0.000 0.198 416 Q C 1.770 177.769 176.000 -0.000 0.000 0.960 416 Q CA 1.159 56.955 55.803 -0.012 0.000 0.847 416 Q CB -0.043 28.681 28.738 -0.023 0.000 0.915 416 Q HN 0.436 nan 8.270 nan 0.000 0.448 417 L N -0.427 120.812 121.223 0.027 0.000 2.141 417 L HA -0.140 4.200 4.340 0.000 0.000 0.209 417 L C 2.134 179.088 176.870 0.140 0.000 1.094 417 L CA 0.778 55.657 54.840 0.065 0.000 0.763 417 L CB -0.312 41.791 42.059 0.073 0.000 0.908 417 L HN 0.264 nan 8.230 nan 0.000 0.437 418 L N -1.297 120.010 121.223 0.140 0.000 2.095 418 L HA -0.114 4.226 4.340 0.000 0.000 0.204 418 L C 2.683 179.604 176.870 0.085 0.000 1.080 418 L CA 0.830 55.802 54.840 0.220 0.000 0.759 418 L CB -0.239 41.910 42.059 0.151 0.000 0.914 418 L HN 0.127 nan 8.230 nan 0.000 0.439 419 S N -0.464 115.246 115.700 0.018 0.000 2.382 419 S HA -0.217 4.253 4.470 0.000 0.000 0.228 419 S C 2.021 176.566 174.600 -0.091 0.000 1.027 419 S CA 1.323 59.503 58.200 -0.034 0.000 0.991 419 S CB -0.234 62.944 63.200 -0.036 0.000 0.823 419 S HN 0.256 nan 8.310 nan 0.000 0.469 420 R N 1.600 122.040 120.500 -0.101 0.000 2.073 420 R HA 0.059 4.399 4.340 0.000 0.000 0.229 420 R C 2.306 178.455 176.300 -0.251 0.000 1.120 420 R CA 1.650 57.664 56.100 -0.143 0.000 0.967 420 R CB -1.248 28.988 30.300 -0.106 0.000 0.862 420 R HN 0.351 nan 8.270 nan 0.000 0.436 421 G N -0.079 108.481 108.800 -0.401 0.000 2.422 421 G HA2 -0.201 3.759 3.960 0.000 0.000 0.218 421 G HA3 -0.201 3.759 3.960 0.000 0.000 0.218 421 G C 1.370 175.659 174.900 -1.018 0.000 1.146 421 G CA 1.187 45.683 45.100 -1.006 0.000 0.769 421 G HN 0.332 nan 8.290 nan 0.000 0.547 422 V N -1.297 118.260 119.914 -0.595 0.000 2.548 422 V HA 0.079 4.199 4.120 0.000 0.000 0.249 422 V C 2.560 178.546 176.094 -0.179 0.000 1.055 422 V CA 1.646 63.784 62.300 -0.271 0.000 1.065 422 V CB -0.550 31.230 31.823 -0.071 0.000 0.681 422 V HN 0.257 nan 8.190 nan 0.000 0.462 423 R N 0.074 120.467 120.500 -0.179 0.000 2.119 423 R HA 0.257 4.597 4.340 0.000 0.000 0.222 423 R C 2.334 178.562 176.300 -0.120 0.000 1.088 423 R CA 1.255 57.279 56.100 -0.128 0.000 0.984 423 R CB -0.391 29.831 30.300 -0.130 0.000 0.884 423 R HN 0.440 nan 8.270 nan 0.000 0.447 424 L N -0.128 121.000 121.223 -0.159 0.000 2.093 424 L HA -0.134 4.206 4.340 0.000 0.000 0.208 424 L C 2.062 178.876 176.870 -0.094 0.000 1.085 424 L CA 1.275 56.042 54.840 -0.121 0.000 0.755 424 L CB -0.534 41.440 42.059 -0.142 0.000 0.904 424 L HN 0.217 nan 8.230 nan 0.000 0.435 425 T N -0.957 113.519 114.554 -0.130 0.000 2.833 425 T HA -0.158 4.192 4.350 0.000 0.000 0.269 425 T C 1.766 176.448 174.700 -0.030 0.000 1.054 425 T CA 1.047 63.109 62.100 -0.064 0.000 1.135 425 T CB -0.101 68.733 68.868 -0.056 0.000 0.869 425 T HN 0.275 nan 8.240 nan 0.000 0.466 426 E N 0.937 121.114 120.200 -0.040 0.000 2.150 426 E HA 0.045 4.395 4.350 0.000 0.000 0.193 426 E C 2.189 178.788 176.600 -0.001 0.000 0.985 426 E CA 0.585 56.975 56.400 -0.016 0.000 0.814 426 E CB -0.256 29.433 29.700 -0.018 0.000 0.752 426 E HN 0.479 nan 8.360 nan 0.000 0.466 427 L N 0.364 121.584 121.223 -0.005 0.000 2.291 427 L HA -0.063 4.277 4.340 0.000 0.000 0.214 427 L C 2.192 179.072 176.870 0.016 0.000 1.120 427 L CA 0.391 55.240 54.840 0.015 0.000 0.799 427 L CB -0.140 41.928 42.059 0.015 0.000 0.925 427 L HN 0.070 nan 8.230 nan 0.000 0.446 428 L N -0.738 120.489 121.223 0.007 0.000 2.558 428 L HA 0.004 4.344 4.340 0.000 0.000 0.225 428 L C 0.845 177.722 176.870 0.012 0.000 1.128 428 L CA 0.213 55.060 54.840 0.013 0.000 0.868 428 L CB -0.174 41.894 42.059 0.015 0.000 1.006 428 L HN 0.115 nan 8.230 nan 0.000 0.454 429 K N 1.005 121.409 120.400 0.007 0.000 2.295 429 K HA 0.282 4.602 4.320 0.000 0.000 0.270 429 K C -0.219 176.381 176.600 -0.001 0.000 1.011 429 K CA 0.174 56.461 56.287 0.000 0.000 0.953 429 K CB 0.861 33.358 32.500 -0.004 0.000 0.956 429 K HN -0.046 nan 8.250 nan 0.000 0.477 430 Q N 0.341 120.134 119.800 -0.012 0.000 2.403 430 Q HA 0.303 4.643 4.340 0.000 0.000 0.267 430 Q C -0.933 175.044 176.000 -0.038 0.000 0.991 430 Q CA -0.593 55.199 55.803 -0.017 0.000 0.906 430 Q CB 1.758 30.488 28.738 -0.013 0.000 1.422 430 Q HN 0.809 nan 8.270 nan 0.000 0.400 431 G N 1.538 110.313 108.800 -0.042 0.000 2.616 431 G HA2 0.252 4.212 3.960 0.000 0.000 0.268 431 G HA3 0.252 4.212 3.960 0.000 0.000 0.268 431 G C -0.570 174.256 174.900 -0.122 0.000 1.213 431 G CA -0.195 44.864 45.100 -0.069 0.000 0.926 431 G HN 0.577 nan 8.290 nan 0.000 0.523 432 Q N -1.440 118.224 119.800 -0.226 0.000 2.260 432 Q HA 0.328 4.668 4.340 0.000 0.000 0.238 432 Q C -0.434 175.358 176.000 -0.346 0.000 0.948 432 Q CA -0.347 55.159 55.803 -0.495 0.000 0.895 432 Q CB 0.826 28.934 28.738 -1.048 0.000 1.218 432 Q HN 0.653 nan 8.270 nan 0.000 0.470 433 Y N -1.422 118.876 120.300 -0.004 0.000 4.798 433 Y HA -0.262 4.288 4.550 0.000 0.000 0.237 433 Y C 0.065 175.956 175.900 -0.014 0.000 1.017 433 Y CA 0.242 58.335 58.100 -0.012 0.000 2.010 433 Y CB -1.669 36.782 38.460 -0.016 0.000 1.582 433 Y HN 0.344 nan 8.280 nan 0.000 0.621 434 S N 0.388 116.131 115.700 0.070 0.000 2.399 434 S HA 0.233 4.704 4.470 0.000 0.000 0.198 434 S C -2.225 172.380 174.600 0.008 0.000 1.294 434 S CA -0.855 57.367 58.200 0.037 0.000 1.237 434 S CB 0.845 64.060 63.200 0.026 0.000 1.286 434 S HN 0.086 nan 8.310 nan 0.000 0.404 435 P HA 0.149 nan 4.420 nan 0.000 0.267 435 P C -0.586 176.705 177.300 -0.015 0.000 1.200 435 P CA -0.016 63.085 63.100 0.001 0.000 0.772 435 P CB 0.487 32.195 31.700 0.013 0.000 0.855 436 M N 1.387 120.980 119.600 -0.012 0.000 2.404 436 M HA 0.465 4.945 4.480 0.000 0.000 0.338 436 M C 0.515 176.799 176.300 -0.026 0.000 1.150 436 M CA -0.842 54.444 55.300 -0.023 0.000 1.016 436 M CB 1.884 34.477 32.600 -0.012 0.000 1.672 436 M HN 0.353 nan 8.290 nan 0.000 0.448 437 A N 1.854 124.645 122.820 -0.049 0.000 2.520 437 A HA 0.063 4.383 4.320 0.000 0.000 0.235 437 A C 1.004 178.582 177.584 -0.011 0.000 1.065 437 A CA -0.226 51.781 52.037 -0.049 0.000 0.764 437 A CB -0.005 18.951 19.000 -0.074 0.000 1.002 437 A HN 0.949 nan 8.150 nan 0.000 0.502 438 I N 0.963 121.544 120.570 0.018 0.000 2.264 438 I HA -0.215 3.955 4.170 0.000 0.000 0.248 438 I C 2.484 178.608 176.117 0.012 0.000 1.111 438 I CA 2.373 63.690 61.300 0.029 0.000 1.382 438 I CB -0.325 37.705 38.000 0.049 0.000 1.060 438 I HN 0.855 nan 8.210 nan 0.000 0.418 439 E N 0.367 120.565 120.200 -0.004 0.000 2.150 439 E HA -0.247 4.103 4.350 0.000 0.000 0.193 439 E C 1.723 178.307 176.600 -0.028 0.000 0.985 439 E CA 1.439 57.827 56.400 -0.020 0.000 0.814 439 E CB -0.699 28.980 29.700 -0.035 0.000 0.752 439 E HN 0.648 nan 8.360 nan 0.000 0.466 440 E N 0.754 120.934 120.200 -0.034 0.000 2.152 440 E HA -0.116 4.234 4.350 0.000 0.000 0.192 440 E C 2.263 178.865 176.600 0.003 0.000 0.983 440 E CA 0.797 57.173 56.400 -0.041 0.000 0.818 440 E CB -0.017 29.648 29.700 -0.058 0.000 0.758 440 E HN 0.415 nan 8.360 nan 0.000 0.467 441 Q N 0.324 120.133 119.800 0.015 0.000 2.119 441 Q HA -0.092 4.248 4.340 0.000 0.000 0.201 441 Q C 2.346 178.383 176.000 0.062 0.000 0.972 441 Q CA 0.863 56.689 55.803 0.038 0.000 0.847 441 Q CB -0.002 28.755 28.738 0.032 0.000 0.903 441 Q HN 0.127 nan 8.270 nan 0.000 0.433 442 V N 0.585 120.531 119.914 0.052 0.000 2.626 442 V HA -0.183 3.937 4.120 0.000 0.000 0.252 442 V C 1.940 178.104 176.094 0.115 0.000 1.067 442 V CA 1.668 64.012 62.300 0.073 0.000 1.081 442 V CB -0.307 31.541 31.823 0.041 0.000 0.686 442 V HN 0.387 nan 8.190 nan 0.000 0.468 443 A N -0.157 122.721 122.820 0.097 0.000 1.898 443 A HA -0.073 4.247 4.320 0.000 0.000 0.214 443 A C 2.300 180.091 177.584 0.345 0.000 1.183 443 A CA 1.858 53.997 52.037 0.170 0.000 0.622 443 A CB -0.598 18.446 19.000 0.073 0.000 0.824 443 A HN 0.698 nan 8.150 nan 0.000 0.444 444 V N -1.808 118.264 119.914 0.264 0.000 2.379 444 V HA -0.132 3.988 4.120 0.000 0.000 0.245 444 V C 2.210 178.402 176.094 0.164 0.000 1.044 444 V CA 1.782 64.233 62.300 0.252 0.000 1.036 444 V CB -0.927 31.003 31.823 0.180 0.000 0.664 444 V HN 0.426 nan 8.190 nan 0.000 0.453 445 I N -0.633 120.022 120.570 0.140 0.000 2.394 445 I HA -0.168 4.002 4.170 0.000 0.000 0.251 445 I C 2.558 178.747 176.117 0.119 0.000 1.136 445 I CA 2.120 63.480 61.300 0.101 0.000 1.425 445 I CB -0.469 37.581 38.000 0.083 0.000 1.079 445 I HN 0.388 nan 8.210 nan 0.000 0.425 446 Y N 1.783 122.112 120.300 0.049 0.000 2.151 446 Y HA -0.360 4.190 4.550 0.000 0.000 0.284 446 Y C 2.519 178.454 175.900 0.058 0.000 1.166 446 Y CA 1.646 59.776 58.100 0.051 0.000 1.163 446 Y CB -0.301 38.191 38.460 0.054 0.000 0.974 446 Y HN 0.142 nan 8.280 nan 0.000 0.511 447 A N -0.102 122.786 122.820 0.114 0.000 1.877 447 A HA -0.112 4.209 4.320 0.000 0.000 0.216 447 A C 2.471 180.060 177.584 0.008 0.000 1.186 447 A CA 1.801 53.847 52.037 0.015 0.000 0.620 447 A CB -1.668 17.246 19.000 -0.144 0.000 0.822 447 A HN 0.587 nan 8.150 nan 0.000 0.443 448 G N -1.057 107.725 108.800 -0.029 0.000 2.403 448 G HA2 -0.006 3.954 3.960 0.000 0.000 0.216 448 G HA3 -0.006 3.954 3.960 0.000 0.000 0.216 448 G C 1.473 176.318 174.900 -0.091 0.000 1.154 448 G CA 1.105 46.163 45.100 -0.068 0.000 0.784 448 G HN 0.304 nan 8.290 nan 0.000 0.538 449 V N 0.666 120.526 119.914 -0.090 0.000 2.379 449 V HA -0.023 4.097 4.120 0.000 0.000 0.245 449 V C 2.795 178.793 176.094 -0.160 0.000 1.044 449 V CA 1.217 63.451 62.300 -0.109 0.000 1.036 449 V CB -0.250 31.524 31.823 -0.081 0.000 0.664 449 V HN 0.194 nan 8.190 nan 0.000 0.453 450 R N 0.171 120.536 120.500 -0.226 0.000 2.276 450 R HA 0.145 4.486 4.340 0.000 0.000 0.203 450 R C 1.446 177.551 176.300 -0.325 0.000 1.017 450 R CA 0.821 56.760 56.100 -0.267 0.000 1.010 450 R CB -0.445 29.648 30.300 -0.346 0.000 0.900 450 R HN 0.603 nan 8.270 nan 0.000 0.469 451 G N 0.624 109.259 108.800 -0.274 0.000 2.288 451 G HA2 -0.247 3.714 3.960 0.000 0.000 0.205 451 G HA3 -0.247 3.714 3.960 0.000 0.000 0.205 451 G C -0.136 174.495 174.900 -0.448 0.000 1.071 451 G CA -0.389 44.516 45.100 -0.324 0.000 0.788 451 G HN 0.380 nan 8.290 nan 0.000 0.491 452 Y N -0.639 119.540 120.300 -0.202 0.000 2.555 452 Y HA 0.504 5.054 4.550 0.000 0.000 0.259 452 Y C 2.074 177.771 175.900 -0.338 0.000 1.179 452 Y CA 0.049 58.016 58.100 -0.221 0.000 1.230 452 Y CB 0.546 38.890 38.460 -0.192 0.000 1.146 452 Y HN 0.363 nan 8.280 nan 0.000 0.526 453 L N -1.265 119.832 121.223 -0.210 0.000 2.920 453 L HA 0.128 4.468 4.340 0.000 0.000 0.257 453 L C 0.977 177.721 176.870 -0.208 0.000 1.150 453 L CA 0.030 54.695 54.840 -0.291 0.000 0.959 453 L CB 0.344 42.244 42.059 -0.265 0.000 1.321 453 L HN 0.030 nan 8.230 nan 0.000 0.555 454 D N 1.466 121.760 120.400 -0.176 0.000 2.123 454 D HA -0.185 4.455 4.640 0.000 0.000 0.196 454 D C 1.854 178.086 176.300 -0.114 0.000 0.992 454 D CA 1.427 55.344 54.000 -0.138 0.000 0.833 454 D CB 0.127 40.843 40.800 -0.139 0.000 0.954 454 D HN 0.245 nan 8.370 nan 0.000 0.455 455 K N -0.232 120.099 120.400 -0.116 0.000 2.296 455 K HA 0.078 4.398 4.320 0.000 0.000 0.200 455 K C 0.777 177.333 176.600 -0.074 0.000 1.048 455 K CA 0.065 56.302 56.287 -0.083 0.000 0.966 455 K CB 0.214 32.673 32.500 -0.070 0.000 0.754 455 K HN 0.117 nan 8.250 nan 0.000 0.466 456 L N 2.497 123.654 121.223 -0.109 0.000 2.417 456 L HA 0.055 4.395 4.340 0.000 0.000 0.268 456 L C 0.581 177.410 176.870 -0.067 0.000 1.158 456 L CA -0.466 54.320 54.840 -0.090 0.000 0.819 456 L CB 0.549 42.500 42.059 -0.179 0.000 1.112 456 L HN 0.221 nan 8.230 nan 0.000 0.458 457 E N 3.144 123.329 120.200 -0.025 0.000 2.366 457 E HA 0.130 4.480 4.350 0.000 0.000 0.266 457 E C -2.048 174.541 176.600 -0.018 0.000 1.051 457 E CA -1.757 54.633 56.400 -0.016 0.000 0.884 457 E CB 0.669 30.372 29.700 0.005 0.000 1.006 457 E HN 0.360 nan 8.360 nan 0.000 0.417 458 P HA -0.234 nan 4.420 nan 0.000 0.218 458 P C 1.363 178.663 177.300 0.001 0.000 1.148 458 P CA 1.555 64.643 63.100 -0.020 0.000 0.822 458 P CB -0.001 31.690 31.700 -0.016 0.000 0.784 459 S N -0.905 114.803 115.700 0.013 0.000 2.515 459 S HA 0.003 4.473 4.470 0.000 0.000 0.231 459 S C 1.599 176.228 174.600 0.048 0.000 0.987 459 S CA 0.610 58.825 58.200 0.026 0.000 0.936 459 S CB -0.627 62.587 63.200 0.024 0.000 0.766 459 S HN 0.208 nan 8.310 nan 0.000 0.528 460 K N -0.003 120.434 120.400 0.061 0.000 2.387 460 K HA 0.361 4.681 4.320 0.000 0.000 0.203 460 K C 0.716 177.394 176.600 0.130 0.000 1.030 460 K CA -0.248 56.110 56.287 0.119 0.000 1.099 460 K CB 0.264 32.859 32.500 0.159 0.000 0.863 460 K HN 0.246 nan 8.250 nan 0.000 0.529 461 I N 1.206 121.815 120.570 0.064 0.000 2.163 461 I HA -0.204 3.966 4.170 0.000 0.000 0.240 461 I C 1.922 178.110 176.117 0.118 0.000 1.081 461 I CA 1.677 63.009 61.300 0.053 0.000 1.353 461 I CB -1.301 36.695 38.000 -0.007 0.000 1.054 461 I HN 0.097 nan 8.210 nan 0.000 0.407 462 T N 1.025 115.631 114.554 0.087 0.000 2.665 462 T HA -0.270 4.080 4.350 0.000 0.000 0.268 462 T C 1.985 176.753 174.700 0.113 0.000 1.035 462 T CA 1.815 63.965 62.100 0.083 0.000 1.151 462 T CB -0.227 68.673 68.868 0.054 0.000 0.862 462 T HN 0.303 nan 8.240 nan 0.000 0.438 463 K N -0.106 120.383 120.400 0.149 0.000 2.097 463 K HA -0.068 4.252 4.320 0.000 0.000 0.205 463 K C 2.107 178.847 176.600 0.233 0.000 1.050 463 K CA 1.062 57.470 56.287 0.201 0.000 0.938 463 K CB -0.283 32.368 32.500 0.251 0.000 0.718 463 K HN 0.365 nan 8.250 nan 0.000 0.442 464 F N 2.178 122.125 119.950 -0.005 0.000 2.134 464 F HA -0.179 4.348 4.527 0.000 0.000 0.299 464 F C 2.271 178.008 175.800 -0.104 0.000 1.097 464 F CA 1.834 59.620 58.000 -0.357 0.000 1.264 464 F CB -0.197 38.474 39.000 -0.548 0.000 1.001 464 F HN 0.150 nan 8.300 nan 0.000 0.479 465 E N 0.390 120.643 120.200 0.088 0.000 2.038 465 E HA -0.301 4.049 4.350 0.000 0.000 0.195 465 E C 1.865 178.458 176.600 -0.011 0.000 1.000 465 E CA 2.017 58.460 56.400 0.071 0.000 0.803 465 E CB -0.437 29.338 29.700 0.125 0.000 0.750 465 E HN 0.641 nan 8.360 nan 0.000 0.448 466 N N -0.096 118.609 118.700 0.008 0.000 2.166 466 N HA -0.135 4.605 4.740 0.000 0.000 0.186 466 N C 1.789 177.288 175.510 -0.019 0.000 1.019 466 N CA 0.873 53.923 53.050 -0.001 0.000 0.856 466 N CB -0.118 38.388 38.487 0.033 0.000 0.993 466 N HN 0.177 nan 8.380 nan 0.000 0.426 467 A N 0.557 123.385 122.820 0.013 0.000 1.929 467 A HA -0.096 4.225 4.320 0.000 0.000 0.216 467 A C 1.881 179.414 177.584 -0.085 0.000 1.176 467 A CA 0.765 52.869 52.037 0.112 0.000 0.628 467 A CB -0.655 18.584 19.000 0.397 0.000 0.816 467 A HN 0.389 nan 8.150 nan 0.000 0.444 468 F N -0.126 119.453 119.950 -0.619 0.000 2.206 468 F HA -0.017 4.510 4.527 0.000 0.000 0.298 468 F C 1.687 177.147 175.800 -0.566 0.000 1.090 468 F CA 1.184 58.529 58.000 -1.092 0.000 1.323 468 F CB -0.207 38.109 39.000 -1.141 0.000 1.028 468 F HN 0.173 nan 8.300 nan 0.000 0.492 469 L N 0.479 121.428 121.223 -0.458 0.000 2.027 469 L HA -0.136 4.204 4.340 0.000 0.000 0.206 469 L C 2.731 179.396 176.870 -0.341 0.000 1.074 469 L CA 2.196 56.790 54.840 -0.410 0.000 0.745 469 L CB -1.153 40.798 42.059 -0.181 0.000 0.898 469 L HN 0.303 nan 8.230 nan 0.000 0.433 470 S N -2.099 113.468 115.700 -0.221 0.000 2.419 470 S HA -0.265 4.205 4.470 0.000 0.000 0.233 470 S C 2.107 176.610 174.600 -0.163 0.000 1.016 470 S CA 1.172 59.284 58.200 -0.147 0.000 0.974 470 S CB -0.970 62.195 63.200 -0.060 0.000 0.786 470 S HN 0.662 nan 8.310 nan 0.000 0.492 471 H N 2.058 120.923 119.070 -0.341 0.000 2.333 471 H HA -0.042 4.514 4.556 0.000 0.000 0.302 471 H C 2.243 177.384 175.328 -0.313 0.000 1.075 471 H CA 2.101 57.960 56.048 -0.314 0.000 1.348 471 H CB -0.172 29.293 29.762 -0.496 0.000 1.393 471 H HN 0.431 nan 8.280 nan 0.000 0.509 472 V N -0.667 118.934 119.914 -0.521 0.000 2.548 472 V HA -0.124 3.996 4.120 0.000 0.000 0.249 472 V C 2.661 178.573 176.094 -0.303 0.000 1.055 472 V CA 1.400 63.448 62.300 -0.421 0.000 1.065 472 V CB -0.816 30.682 31.823 -0.542 0.000 0.681 472 V HN 0.247 nan 8.190 nan 0.000 0.462 473 I N 0.954 121.352 120.570 -0.287 0.000 2.163 473 I HA -0.183 3.987 4.170 0.000 0.000 0.240 473 I C 2.927 178.926 176.117 -0.198 0.000 1.081 473 I CA 1.992 63.169 61.300 -0.206 0.000 1.353 473 I CB -0.491 37.407 38.000 -0.171 0.000 1.054 473 I HN 0.376 nan 8.210 nan 0.000 0.407 474 S N -0.283 115.289 115.700 -0.215 0.000 2.368 474 S HA -0.163 4.307 4.470 0.000 0.000 0.224 474 S C 2.014 176.460 174.600 -0.257 0.000 1.029 474 S CA 1.289 59.372 58.200 -0.195 0.000 0.988 474 S CB 0.006 63.114 63.200 -0.154 0.000 0.838 474 S HN 0.339 nan 8.310 nan 0.000 0.462 475 Q N 0.028 119.587 119.800 -0.401 0.000 2.159 475 Q HA 0.111 4.451 4.340 0.000 0.000 0.194 475 Q C 0.188 175.831 176.000 -0.595 0.000 0.968 475 Q CA 1.005 56.461 55.803 -0.579 0.000 0.837 475 Q CB -0.388 27.803 28.738 -0.912 0.000 0.920 475 Q HN 0.686 nan 8.270 nan 0.000 0.485 476 H N 1.110 120.019 119.070 -0.268 0.000 2.482 476 H HA 0.215 4.771 4.556 0.000 0.000 0.231 476 H C 0.825 176.053 175.328 -0.167 0.000 1.612 476 H CA -0.192 55.741 56.048 -0.190 0.000 1.279 476 H CB 0.638 30.290 29.762 -0.184 0.000 1.562 476 H HN 0.065 nan 8.280 nan 0.000 0.553 477 Q N 1.230 120.983 119.800 -0.078 0.000 2.245 477 Q HA 0.005 4.345 4.340 0.000 0.000 0.201 477 Q C 2.192 178.163 176.000 -0.049 0.000 0.955 477 Q CA 0.860 56.618 55.803 -0.075 0.000 0.870 477 Q CB 0.172 28.859 28.738 -0.085 0.000 0.945 477 Q HN 0.715 nan 8.270 nan 0.000 0.461 478 A N 0.826 123.627 122.820 -0.031 0.000 1.933 478 A HA -0.133 4.187 4.320 0.000 0.000 0.218 478 A C 2.092 179.661 177.584 -0.025 0.000 1.175 478 A CA 0.920 52.943 52.037 -0.023 0.000 0.628 478 A CB -0.581 18.413 19.000 -0.010 0.000 0.814 478 A HN 0.334 nan 8.150 nan 0.000 0.444 479 L N -0.805 120.404 121.223 -0.023 0.000 2.095 479 L HA -0.035 4.305 4.340 0.000 0.000 0.204 479 L C 2.451 179.283 176.870 -0.064 0.000 1.080 479 L CA 0.925 55.734 54.840 -0.051 0.000 0.759 479 L CB -0.229 41.782 42.059 -0.079 0.000 0.914 479 L HN 0.399 nan 8.230 nan 0.000 0.439 480 L N -0.827 120.355 121.223 -0.067 0.000 2.093 480 L HA -0.131 4.209 4.340 0.000 0.000 0.208 480 L C 2.547 179.383 176.870 -0.057 0.000 1.085 480 L CA 1.247 56.043 54.840 -0.073 0.000 0.755 480 L CB -0.969 41.037 42.059 -0.089 0.000 0.904 480 L HN 0.330 nan 8.230 nan 0.000 0.435 481 G N -0.183 108.587 108.800 -0.050 0.000 2.402 481 G HA2 -0.286 3.674 3.960 0.000 0.000 0.216 481 G HA3 -0.286 3.674 3.960 0.000 0.000 0.216 481 G C 1.666 176.547 174.900 -0.032 0.000 1.162 481 G CA 0.691 45.767 45.100 -0.040 0.000 0.777 481 G HN 0.167 nan 8.290 nan 0.000 0.539 482 K N 0.386 120.766 120.400 -0.033 0.000 2.057 482 K HA 0.131 4.451 4.320 0.000 0.000 0.206 482 K C 2.377 178.960 176.600 -0.028 0.000 1.050 482 K CA 0.705 56.975 56.287 -0.028 0.000 0.935 482 K CB -0.376 32.107 32.500 -0.029 0.000 0.715 482 K HN 0.376 nan 8.250 nan 0.000 0.439 483 I N 0.098 120.646 120.570 -0.037 0.000 2.226 483 I HA -0.263 3.908 4.170 0.000 0.000 0.245 483 I C 2.567 178.671 176.117 -0.021 0.000 1.100 483 I CA 1.169 62.448 61.300 -0.034 0.000 1.374 483 I CB -0.249 37.722 38.000 -0.049 0.000 1.057 483 I HN 0.185 nan 8.210 nan 0.000 0.413 484 R N 0.514 121.002 120.500 -0.020 0.000 2.081 484 R HA -0.160 4.180 4.340 0.000 0.000 0.235 484 R C 2.218 178.517 176.300 -0.001 0.000 1.131 484 R CA 2.144 58.239 56.100 -0.007 0.000 0.960 484 R CB -0.209 30.084 30.300 -0.012 0.000 0.856 484 R HN 0.311 nan 8.270 nan 0.000 0.436 485 T N 0.500 115.050 114.554 -0.008 0.000 2.809 485 T HA -0.059 4.291 4.350 0.000 0.000 0.260 485 T C 1.050 175.746 174.700 -0.006 0.000 1.039 485 T CA 1.378 63.475 62.100 -0.006 0.000 1.141 485 T CB -0.244 68.618 68.868 -0.009 0.000 0.869 485 T HN 0.286 nan 8.240 nan 0.000 0.437 486 D N 0.680 121.075 120.400 -0.009 0.000 2.224 486 D HA 0.141 4.781 4.640 0.000 0.000 0.205 486 D C 1.747 178.043 176.300 -0.007 0.000 0.965 486 D CA 1.065 55.060 54.000 -0.008 0.000 0.852 486 D CB -0.615 40.179 40.800 -0.010 0.000 0.947 486 D HN 0.500 nan 8.370 nan 0.000 0.494 487 G N 0.576 109.372 108.800 -0.006 0.000 2.168 487 G HA2 -0.328 3.632 3.960 0.000 0.000 0.257 487 G HA3 -0.328 3.632 3.960 0.000 0.000 0.257 487 G C 0.359 175.258 174.900 -0.002 0.000 0.997 487 G CA 0.723 45.820 45.100 -0.004 0.000 0.708 487 G HN 0.478 nan 8.290 nan 0.000 0.520 488 K N -0.598 119.800 120.400 -0.003 0.000 2.551 488 K HA 0.606 4.926 4.320 0.000 0.000 0.269 488 K C -0.828 175.770 176.600 -0.004 0.000 0.949 488 K CA -1.188 55.100 56.287 0.001 0.000 0.849 488 K CB 1.247 33.749 32.500 0.002 0.000 1.411 488 K HN 0.087 nan 8.250 nan 0.000 0.432 489 I N 3.641 124.213 120.570 0.004 0.000 2.307 489 I HA 0.120 4.290 4.170 0.000 0.000 0.287 489 I C 0.509 176.631 176.117 0.008 0.000 1.054 489 I CA -0.483 60.814 61.300 -0.004 0.000 1.218 489 I CB 1.212 39.215 38.000 0.005 0.000 1.398 489 I HN 0.574 nan 8.210 nan 0.000 0.475 490 S N 3.572 119.271 115.700 -0.001 0.000 2.634 490 S HA 0.236 4.706 4.470 0.000 0.000 0.261 490 S C 0.971 175.578 174.600 0.011 0.000 1.271 490 S CA -0.578 57.626 58.200 0.006 0.000 0.985 490 S CB 1.233 64.433 63.200 0.000 0.000 0.968 490 S HN 0.629 nan 8.310 nan 0.000 0.568 491 E N 0.275 120.485 120.200 0.016 0.000 2.118 491 E HA -0.207 4.143 4.350 0.000 0.000 0.195 491 E C 1.893 178.503 176.600 0.016 0.000 0.992 491 E CA 1.436 57.850 56.400 0.023 0.000 0.804 491 E CB -0.150 29.563 29.700 0.022 0.000 0.741 491 E HN 0.809 nan 8.360 nan 0.000 0.458 492 E N 0.710 120.914 120.200 0.006 0.000 2.077 492 E HA -0.132 4.218 4.350 0.000 0.000 0.193 492 E C 1.952 178.544 176.600 -0.014 0.000 0.989 492 E CA 1.652 58.052 56.400 -0.000 0.000 0.800 492 E CB -0.182 29.516 29.700 -0.003 0.000 0.746 492 E HN -0.033 nan 8.360 nan 0.000 0.452 493 S N 0.369 116.055 115.700 -0.024 0.000 2.383 493 S HA -0.120 4.350 4.470 0.000 0.000 0.227 493 S C 1.518 176.072 174.600 -0.078 0.000 1.026 493 S CA 1.114 59.281 58.200 -0.055 0.000 0.981 493 S CB -0.417 62.748 63.200 -0.057 0.000 0.818 493 S HN 0.388 nan 8.310 nan 0.000 0.472 494 D N 1.603 121.986 120.400 -0.028 0.000 2.097 494 D HA 0.015 4.655 4.640 0.000 0.000 0.197 494 D C 2.027 178.357 176.300 0.049 0.000 0.984 494 D CA 1.255 55.266 54.000 0.019 0.000 0.826 494 D CB -0.273 40.582 40.800 0.092 0.000 0.973 494 D HN 0.313 nan 8.370 nan 0.000 0.460 495 A N 0.241 123.084 122.820 0.038 0.000 1.930 495 A HA -0.129 4.191 4.320 0.000 0.000 0.217 495 A C 2.143 179.738 177.584 0.019 0.000 1.175 495 A CA 1.807 53.871 52.037 0.046 0.000 0.627 495 A CB -0.415 18.607 19.000 0.037 0.000 0.815 495 A HN 0.153 nan 8.150 nan 0.000 0.443 496 K N -0.552 119.836 120.400 -0.020 0.000 2.057 496 K HA -0.042 4.278 4.320 0.000 0.000 0.206 496 K C 1.672 178.212 176.600 -0.100 0.000 1.050 496 K CA 1.222 57.478 56.287 -0.052 0.000 0.935 496 K CB -0.441 32.022 32.500 -0.062 0.000 0.715 496 K HN 0.306 nan 8.250 nan 0.000 0.439 497 L N 1.167 122.305 121.223 -0.141 0.000 2.156 497 L HA -0.001 4.339 4.340 0.000 0.000 0.208 497 L C 2.057 178.876 176.870 -0.085 0.000 1.095 497 L CA 1.655 56.360 54.840 -0.226 0.000 0.770 497 L CB -0.503 41.247 42.059 -0.514 0.000 0.914 497 L HN 0.184 nan 8.230 nan 0.000 0.439 498 K N -0.683 119.749 120.400 0.054 0.000 2.032 498 K HA -0.198 4.122 4.320 0.000 0.000 0.209 498 K C 1.889 178.534 176.600 0.077 0.000 1.048 498 K CA 1.571 57.959 56.287 0.168 0.000 0.927 498 K CB -0.009 32.617 32.500 0.210 0.000 0.712 498 K HN 0.333 nan 8.250 nan 0.000 0.441 499 E N 0.520 120.748 120.200 0.046 0.000 2.106 499 E HA -0.148 4.202 4.350 0.000 0.000 0.192 499 E C 2.110 178.734 176.600 0.040 0.000 0.984 499 E CA 0.999 57.428 56.400 0.049 0.000 0.806 499 E CB -0.075 29.648 29.700 0.038 0.000 0.750 499 E HN 0.429 nan 8.360 nan 0.000 0.458 500 I N 0.618 121.178 120.570 -0.017 0.000 2.202 500 I HA -0.227 3.943 4.170 0.000 0.000 0.242 500 I C 2.389 178.592 176.117 0.143 0.000 1.091 500 I CA 0.759 62.070 61.300 0.018 0.000 1.368 500 I CB -0.211 37.668 38.000 -0.202 0.000 1.058 500 I HN -0.081 nan 8.210 nan 0.000 0.410 501 V N 0.167 120.092 119.914 0.020 0.000 2.427 501 V HA -0.219 3.902 4.120 0.000 0.000 0.248 501 V C 2.449 178.491 176.094 -0.087 0.000 1.051 501 V CA 2.194 64.421 62.300 -0.122 0.000 1.048 501 V CB -1.104 30.344 31.823 -0.625 0.000 0.666 501 V HN 0.453 nan 8.190 nan 0.000 0.456 502 T N 0.586 115.115 114.554 -0.042 0.000 2.708 502 T HA -0.196 4.154 4.350 0.000 0.000 0.266 502 T C 1.697 176.490 174.700 0.154 0.000 1.037 502 T CA 2.119 64.313 62.100 0.157 0.000 1.146 502 T CB -0.489 68.499 68.868 0.201 0.000 0.865 502 T HN 0.611 nan 8.240 nan 0.000 0.435 503 N N 0.001 118.789 118.700 0.147 0.000 2.331 503 N HA 0.037 4.777 4.740 0.000 0.000 0.180 503 N C 1.488 177.094 175.510 0.159 0.000 1.019 503 N CA 0.525 53.663 53.050 0.147 0.000 0.881 503 N CB -0.145 38.436 38.487 0.157 0.000 0.972 503 N HN 0.268 nan 8.380 nan 0.000 0.435 504 F N 1.161 121.136 119.950 0.043 0.000 2.270 504 F HA 0.087 4.614 4.527 0.000 0.000 0.295 504 F C 1.888 177.781 175.800 0.154 0.000 1.087 504 F CA 0.335 58.334 58.000 -0.003 0.000 1.365 504 F CB -0.064 38.876 39.000 -0.100 0.000 1.056 504 F HN -0.080 nan 8.300 nan 0.000 0.506 505 L N 0.759 122.137 121.223 0.258 0.000 2.083 505 L HA -0.043 4.297 4.340 0.000 0.000 0.209 505 L C 2.367 179.308 176.870 0.119 0.000 1.083 505 L CA 2.067 57.048 54.840 0.235 0.000 0.752 505 L CB -1.196 40.990 42.059 0.212 0.000 0.899 505 L HN 0.144 nan 8.230 nan 0.000 0.433 506 A N -0.964 121.902 122.820 0.076 0.000 1.968 506 A HA 0.035 4.355 4.320 0.000 0.000 0.217 506 A C 2.282 179.857 177.584 -0.014 0.000 1.169 506 A CA 1.236 53.296 52.037 0.038 0.000 0.638 506 A CB -1.275 17.753 19.000 0.046 0.000 0.812 506 A HN 0.503 nan 8.150 nan 0.000 0.446 507 G N -1.312 107.441 108.800 -0.079 0.000 2.408 507 G HA2 0.050 4.010 3.960 0.000 0.000 0.215 507 G HA3 0.050 4.010 3.960 0.000 0.000 0.215 507 G C 0.502 175.270 174.900 -0.219 0.000 1.156 507 G CA 0.187 45.193 45.100 -0.156 0.000 0.793 507 G HN 0.396 nan 8.290 nan 0.000 0.535 508 F N 1.714 121.384 119.950 -0.467 0.000 2.533 508 F HA 0.322 4.849 4.527 -0.000 0.000 0.378 508 F C 1.225 176.955 175.800 -0.116 0.000 1.070 508 F CA -0.218 57.577 58.000 -0.342 0.000 1.172 508 F CB 0.954 39.797 39.000 -0.262 0.000 1.085 508 F HN 0.234 nan 8.300 nan 0.000 0.552 509 E N 4.376 124.274 120.200 -0.504 0.000 2.098 509 E HA 0.406 4.756 4.350 0.000 0.000 0.196 509 E C -0.071 176.283 176.600 -0.410 0.000 0.955 509 E CA 0.321 56.529 56.400 -0.319 0.000 0.936 509 E CB 0.404 29.968 29.700 -0.226 0.000 1.054 509 E HN 0.650 nan 8.360 nan 0.000 0.482 510 A N 0.000 122.528 122.820 -0.487 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 51.837 52.037 -0.334 0.000 0.836 510 A CB 0.000 18.898 19.000 -0.171 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486