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 2d33_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIPDVSQALA WLEKHPQALK GIQRGLERET LRVNADGTLA TTGHPEALGS DATA SEQUENCE ALTHKWITTD FAEALLEFIT PVDGDIEHML TFMRDLHRYT ARNMGDERMW DATA SEQUENCE PLSMPSYIAE GQDIELAQYG TSNTGRFKTL YREGLKNRYG ALMQTISGVH DATA SEQUENCE YNFSLPMAFW QAKSXXXXXX XAKEKISAGY FRVIRNYYRF GWVIPYLFGA DATA SEQUENCE SPAISSSFLX XXXXSLPFEK TESGMYYLPY ATSLRLSDLG YTNXXXSNLG DATA SEQUENCE ITFNDLYEYV AGLKQAIKTP SEEYAKIGIE KDGKRLQINS NVLQIENELY DATA SEQUENCE APIRPKRVTR SGESPSDALL RGGIEYIEVR SLDINPFSPI GVDEQQVRFL DATA SEQUENCE DLFMVWCALA DAPEMSSSEL AcTRVNWNRV ILEGRKPGLT LGIGcETAQF DATA SEQUENCE PLPQVGKDLF RDLKRVAQTL DSINGGEAYQ KVCDELVACF DNPDLTFSAR DATA SEQUENCE ILRSMIDTGI GGTGKAFAEA YRNLLREEPL EILREEDFVA EREASERRQQ DATA SEQUENCE EMEAADTEPF AVWLEKHA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.243 176.300 -0.096 0.000 1.140 1 M CA 0.000 54.984 55.300 -0.527 0.000 0.988 1 M CB 0.000 31.992 32.600 -1.013 0.000 1.302 2 I N 4.639 125.129 120.570 -0.133 0.000 2.533 2 I HA 0.268 4.437 4.170 -0.001 0.000 0.284 2 I C -1.889 174.219 176.117 -0.015 0.000 1.109 2 I CA -1.333 59.876 61.300 -0.152 0.000 1.412 2 I CB -0.278 37.589 38.000 -0.223 0.000 1.396 2 I HN 0.202 nan 8.210 nan 0.000 0.543 3 P HA 0.027 nan 4.420 nan 0.000 0.270 3 P C -0.475 176.863 177.300 0.063 0.000 1.227 3 P CA -0.217 62.928 63.100 0.075 0.000 0.788 3 P CB 0.502 32.245 31.700 0.073 0.000 0.926 4 D N 0.219 120.643 120.400 0.041 0.000 2.277 4 D HA 0.147 4.786 4.640 -0.001 0.000 0.249 4 D C -0.134 176.174 176.300 0.012 0.000 1.134 4 D CA -0.218 53.805 54.000 0.038 0.000 0.863 4 D CB 0.502 41.321 40.800 0.032 0.000 1.143 4 D HN -0.066 nan 8.370 nan 0.000 0.458 5 V N 3.134 123.062 119.914 0.024 0.000 3.078 5 V HA 0.029 4.148 4.120 -0.001 0.000 0.344 5 V C 1.789 177.891 176.094 0.013 0.000 1.409 5 V CA -0.104 62.180 62.300 -0.027 0.000 1.146 5 V CB 0.060 31.835 31.823 -0.080 0.000 1.126 5 V HN 0.525 nan 8.190 nan 0.000 0.513 6 S N 1.371 117.089 115.700 0.031 0.000 2.372 6 S HA -0.345 4.124 4.470 -0.001 0.000 0.227 6 S C 2.425 177.055 174.600 0.049 0.000 1.044 6 S CA 2.504 60.729 58.200 0.042 0.000 1.050 6 S CB -0.261 62.961 63.200 0.036 0.000 0.901 6 S HN 0.824 nan 8.310 nan 0.000 0.447 7 Q N 0.798 120.619 119.800 0.035 0.000 2.084 7 Q HA 0.160 4.500 4.340 -0.001 0.000 0.202 7 Q C 2.391 178.448 176.000 0.094 0.000 0.978 7 Q CA 1.783 57.617 55.803 0.052 0.000 0.844 7 Q CB -1.325 27.425 28.738 0.021 0.000 0.898 7 Q HN 0.707 nan 8.270 nan 0.000 0.426 8 A N 0.109 122.957 122.820 0.046 0.000 1.969 8 A HA 0.099 4.418 4.320 -0.001 0.000 0.218 8 A C 2.369 180.088 177.584 0.225 0.000 1.169 8 A CA 1.386 53.469 52.037 0.077 0.000 0.635 8 A CB -0.251 18.716 19.000 -0.056 0.000 0.810 8 A HN 0.568 nan 8.150 nan 0.000 0.445 9 L N -1.042 120.265 121.223 0.139 0.000 2.109 9 L HA -0.097 4.242 4.340 -0.001 0.000 0.207 9 L C 3.053 180.000 176.870 0.128 0.000 1.086 9 L CA 0.838 55.760 54.840 0.137 0.000 0.760 9 L CB -0.452 41.664 42.059 0.096 0.000 0.910 9 L HN 0.417 nan 8.230 nan 0.000 0.437 10 A N -0.366 122.529 122.820 0.124 0.000 1.902 10 A HA -0.274 4.045 4.320 -0.001 0.000 0.217 10 A C 1.997 179.657 177.584 0.127 0.000 1.181 10 A CA 1.487 53.580 52.037 0.093 0.000 0.623 10 A CB -1.053 17.997 19.000 0.083 0.000 0.818 10 A HN 0.618 nan 8.150 nan 0.000 0.443 11 W N 0.521 121.840 121.300 0.032 0.000 2.333 11 W HA -0.220 4.440 4.660 -0.001 0.000 0.316 11 W C 1.715 178.323 176.519 0.148 0.000 1.215 11 W CA 2.044 59.445 57.345 0.095 0.000 1.278 11 W CB -0.470 29.013 29.460 0.039 0.000 1.154 11 W HN 0.290 nan 8.180 nan 0.000 0.486 12 L N 1.534 122.835 121.223 0.131 0.000 2.012 12 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 12 L C 2.191 178.927 176.870 -0.224 0.000 1.073 12 L CA 2.500 57.236 54.840 -0.172 0.000 0.748 12 L CB -1.254 40.883 42.059 0.131 0.000 0.891 12 L HN 0.119 nan 8.230 nan 0.000 0.431 13 E N -1.189 118.945 120.200 -0.110 0.000 2.331 13 E HA -0.196 4.153 4.350 -0.001 0.000 0.199 13 E C 2.043 178.519 176.600 -0.207 0.000 1.008 13 E CA 1.086 57.415 56.400 -0.118 0.000 0.843 13 E CB 0.046 29.712 29.700 -0.057 0.000 0.761 13 E HN 0.281 nan 8.360 nan 0.000 0.507 14 K N -0.528 119.675 120.400 -0.328 0.000 2.211 14 K HA 0.020 4.339 4.320 -0.001 0.000 0.201 14 K C 0.241 176.387 176.600 -0.757 0.000 1.052 14 K CA 0.712 56.681 56.287 -0.531 0.000 0.973 14 K CB -0.035 32.085 32.500 -0.633 0.000 0.766 14 K HN 0.334 nan 8.250 nan 0.000 0.466 15 H N -0.425 118.330 119.070 -0.524 0.000 2.351 15 H HA 0.267 4.822 4.556 -0.001 0.000 0.232 15 H C -2.105 172.991 175.328 -0.386 0.000 1.452 15 H CA -1.921 53.821 56.048 -0.511 0.000 1.236 15 H CB 0.742 30.012 29.762 -0.821 0.000 1.579 15 H HN 0.135 nan 8.280 nan 0.000 0.535 16 P HA -0.207 nan 4.420 nan 0.000 0.216 16 P C 1.425 178.679 177.300 -0.077 0.000 1.150 16 P CA 1.185 64.211 63.100 -0.122 0.000 0.843 16 P CB 0.450 32.092 31.700 -0.096 0.000 0.787 17 Q N -1.075 118.686 119.800 -0.065 0.000 2.488 17 Q HA 0.076 4.416 4.340 -0.001 0.000 0.211 17 Q C 2.003 177.996 176.000 -0.012 0.000 0.967 17 Q CA 0.862 56.647 55.803 -0.030 0.000 0.926 17 Q CB -0.777 27.947 28.738 -0.023 0.000 0.992 17 Q HN 0.209 nan 8.270 nan 0.000 0.506 18 A N 0.411 123.214 122.820 -0.028 0.000 2.131 18 A HA -0.107 4.213 4.320 -0.001 0.000 0.220 18 A C 1.776 179.439 177.584 0.132 0.000 1.158 18 A CA 0.921 52.979 52.037 0.035 0.000 0.665 18 A CB -0.264 18.714 19.000 -0.037 0.000 0.795 18 A HN 0.336 nan 8.150 nan 0.000 0.460 19 L N -1.359 119.899 121.223 0.059 0.000 2.766 19 L HA 0.065 4.404 4.340 -0.001 0.000 0.242 19 L C 0.813 177.682 176.870 -0.001 0.000 1.136 19 L CA -0.199 54.655 54.840 0.023 0.000 0.933 19 L CB 0.220 42.274 42.059 -0.008 0.000 1.241 19 L HN 0.110 nan 8.230 nan 0.000 0.522 20 K N 0.938 121.342 120.400 0.007 0.000 2.383 20 K HA 0.416 4.735 4.320 -0.001 0.000 0.286 20 K C 0.832 177.435 176.600 0.004 0.000 1.051 20 K CA 0.761 57.053 56.287 0.008 0.000 0.974 20 K CB 0.228 32.734 32.500 0.009 0.000 0.968 20 K HN 0.555 nan 8.250 nan 0.000 0.475 21 G N 3.988 112.790 108.800 0.003 0.000 2.151 21 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.156 21 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.156 21 G C 0.127 175.004 174.900 -0.038 0.000 1.017 21 G CA -0.190 44.905 45.100 -0.008 0.000 0.686 21 G HN 0.713 nan 8.290 nan 0.000 0.503 22 I N 0.875 121.417 120.570 -0.047 0.000 2.880 22 I HA 0.062 4.231 4.170 -0.001 0.000 0.296 22 I C 0.623 176.680 176.117 -0.099 0.000 1.220 22 I CA 0.623 61.854 61.300 -0.116 0.000 1.435 22 I CB 0.520 38.503 38.000 -0.029 0.000 1.339 22 I HN 0.150 nan 8.210 nan 0.000 0.583 23 Q N 7.067 126.752 119.800 -0.192 0.000 2.342 23 Q HA 0.645 4.985 4.340 -0.001 0.000 0.267 23 Q C -0.933 174.959 176.000 -0.179 0.000 1.038 23 Q CA -0.731 54.982 55.803 -0.150 0.000 0.832 23 Q CB 2.694 31.339 28.738 -0.155 0.000 1.323 23 Q HN 0.590 nan 8.270 nan 0.000 0.448 24 R N -0.240 120.187 120.500 -0.121 0.000 2.740 24 R HA 0.851 5.190 4.340 -0.001 0.000 0.273 24 R C -0.542 175.672 176.300 -0.142 0.000 0.998 24 R CA -1.004 55.018 56.100 -0.130 0.000 0.900 24 R CB 2.104 32.430 30.300 0.044 0.000 1.223 24 R HN 0.725 nan 8.270 nan 0.000 0.466 25 G N 1.490 110.184 108.800 -0.177 0.000 2.706 25 G HA2 0.630 4.589 3.960 -0.001 0.000 0.297 25 G HA3 0.630 4.589 3.960 -0.001 0.000 0.297 25 G C -1.449 173.444 174.900 -0.012 0.000 1.403 25 G CA -0.680 44.357 45.100 -0.104 0.000 0.954 25 G HN 0.262 nan 8.290 nan 0.000 0.500 26 L N 0.599 121.861 121.223 0.065 0.000 2.346 26 L HA 0.561 4.901 4.340 -0.001 0.000 0.274 26 L C -0.241 176.722 176.870 0.155 0.000 1.007 26 L CA -0.792 54.135 54.840 0.145 0.000 0.818 26 L CB 2.386 44.548 42.059 0.172 0.000 1.284 26 L HN 0.529 nan 8.230 nan 0.000 0.424 27 E N 3.162 123.462 120.200 0.166 0.000 2.199 27 E HA 0.564 4.913 4.350 -0.001 0.000 0.269 27 E C -0.975 175.682 176.600 0.095 0.000 0.899 27 E CA -0.965 55.511 56.400 0.127 0.000 0.772 27 E CB 2.635 32.375 29.700 0.067 0.000 1.155 27 E HN 0.186 nan 8.360 nan 0.000 0.408 28 R N 2.737 123.326 120.500 0.148 0.000 2.514 28 R HA 0.260 4.599 4.340 -0.001 0.000 0.296 28 R C -1.310 175.054 176.300 0.106 0.000 1.012 28 R CA -0.371 55.826 56.100 0.161 0.000 0.897 28 R CB 1.394 31.886 30.300 0.320 0.000 1.184 28 R HN 0.692 nan 8.270 nan 0.000 0.440 29 E N 1.214 121.427 120.200 0.021 0.000 2.204 29 E HA 0.403 4.752 4.350 -0.001 0.000 0.276 29 E C -0.846 175.784 176.600 0.051 0.000 0.974 29 E CA -0.609 55.778 56.400 -0.022 0.000 0.815 29 E CB 2.286 31.947 29.700 -0.066 0.000 1.119 29 E HN 0.495 nan 8.360 nan 0.000 0.393 30 T N 1.918 116.495 114.554 0.038 0.000 2.982 30 T HA 0.346 4.695 4.350 -0.001 0.000 0.321 30 T C -1.292 173.478 174.700 0.117 0.000 1.229 30 T CA -0.676 61.503 62.100 0.132 0.000 1.044 30 T CB 0.589 69.582 68.868 0.209 0.000 1.184 30 T HN 0.306 nan 8.240 nan 0.000 0.477 31 L N 4.150 125.484 121.223 0.184 0.000 2.380 31 L HA 0.514 4.853 4.340 -0.001 0.000 0.273 31 L C 1.030 177.993 176.870 0.154 0.000 1.138 31 L CA -0.628 54.295 54.840 0.138 0.000 0.832 31 L CB 0.564 42.683 42.059 0.101 0.000 1.124 31 L HN 0.505 nan 8.230 nan 0.000 0.454 32 R N 2.819 123.377 120.500 0.095 0.000 2.248 32 R HA 0.381 4.720 4.340 -0.001 0.000 0.328 32 R C -0.644 175.703 176.300 0.079 0.000 1.067 32 R CA -0.296 55.858 56.100 0.090 0.000 0.924 32 R CB 0.819 31.151 30.300 0.054 0.000 1.013 32 R HN 0.507 nan 8.270 nan 0.000 0.454 33 V N -0.143 119.839 119.914 0.113 0.000 3.040 33 V HA 0.492 4.612 4.120 -0.001 0.000 0.312 33 V C -0.309 175.834 176.094 0.081 0.000 1.115 33 V CA -1.392 60.963 62.300 0.091 0.000 0.998 33 V CB 2.221 34.133 31.823 0.148 0.000 1.042 33 V HN 0.563 nan 8.190 nan 0.000 0.433 34 N N 1.135 119.859 118.700 0.040 0.000 2.408 34 N HA 0.427 5.166 4.740 -0.001 0.000 0.260 34 N C 1.323 176.858 175.510 0.042 0.000 1.242 34 N CA 0.186 53.250 53.050 0.023 0.000 0.959 34 N CB 1.584 40.060 38.487 -0.017 0.000 1.201 34 N HN 1.039 nan 8.380 nan 0.000 0.511 35 A N 0.415 123.250 122.820 0.026 0.000 2.084 35 A HA -0.217 4.103 4.320 -0.001 0.000 0.221 35 A C 1.159 178.749 177.584 0.010 0.000 1.161 35 A CA 1.946 54.002 52.037 0.031 0.000 0.653 35 A CB -0.526 18.479 19.000 0.009 0.000 0.802 35 A HN 0.783 nan 8.150 nan 0.000 0.457 36 D N -2.828 117.543 120.400 -0.049 0.000 2.340 36 D HA 0.303 4.943 4.640 -0.001 0.000 0.220 36 D C 1.196 177.329 176.300 -0.278 0.000 1.039 36 D CA 0.949 54.860 54.000 -0.148 0.000 0.866 36 D CB -0.437 40.250 40.800 -0.188 0.000 0.913 36 D HN 0.723 nan 8.370 nan 0.000 0.523 37 G N 0.047 108.800 108.800 -0.078 0.000 2.217 37 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.246 37 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.246 37 G C 0.595 175.438 174.900 -0.094 0.000 0.990 37 G CA 0.479 45.594 45.100 0.025 0.000 0.627 37 G HN 0.792 nan 8.290 nan 0.000 0.522 38 T N -0.705 113.741 114.554 -0.179 0.000 2.860 38 T HA 0.578 4.927 4.350 -0.001 0.000 0.299 38 T C 0.531 175.193 174.700 -0.063 0.000 1.045 38 T CA -0.141 61.896 62.100 -0.104 0.000 1.071 38 T CB 2.106 70.909 68.868 -0.108 0.000 0.985 38 T HN 1.013 nan 8.240 nan 0.000 0.537 39 L N 2.416 123.608 121.223 -0.051 0.000 2.418 39 L HA 0.488 4.828 4.340 -0.001 0.000 0.274 39 L C 0.681 177.538 176.870 -0.021 0.000 1.135 39 L CA 0.001 54.819 54.840 -0.036 0.000 0.870 39 L CB -0.518 41.523 42.059 -0.030 0.000 1.154 39 L HN 0.972 nan 8.230 nan 0.000 0.462 40 A N 3.236 126.052 122.820 -0.007 0.000 2.546 40 A HA 0.327 4.646 4.320 -0.001 0.000 0.243 40 A C 1.027 178.605 177.584 -0.010 0.000 1.063 40 A CA 0.491 52.525 52.037 -0.005 0.000 0.757 40 A CB -0.198 18.806 19.000 0.007 0.000 0.991 40 A HN 0.915 nan 8.150 nan 0.000 0.503 41 T N -0.442 114.103 114.554 -0.016 0.000 3.129 41 T HA 0.234 4.583 4.350 -0.001 0.000 0.267 41 T C 0.746 175.432 174.700 -0.022 0.000 1.018 41 T CA 0.374 62.462 62.100 -0.020 0.000 0.903 41 T CB -0.939 67.915 68.868 -0.023 0.000 1.067 41 T HN 0.918 nan 8.240 nan 0.000 0.549 42 T N -0.148 114.395 114.554 -0.019 0.000 2.701 42 T HA 0.535 4.884 4.350 -0.001 0.000 0.303 42 T C 0.978 175.667 174.700 -0.019 0.000 1.030 42 T CA -0.217 61.870 62.100 -0.020 0.000 1.010 42 T CB 0.369 69.225 68.868 -0.020 0.000 1.007 42 T HN 0.377 nan 8.240 nan 0.000 0.532 43 G N -1.099 107.690 108.800 -0.018 0.000 2.528 43 G HA2 0.371 4.330 3.960 -0.001 0.000 0.289 43 G HA3 0.371 4.330 3.960 -0.001 0.000 0.289 43 G C -0.467 174.447 174.900 0.023 0.000 1.192 43 G CA -0.751 44.345 45.100 -0.008 0.000 0.921 43 G HN 1.014 nan 8.290 nan 0.000 0.512 44 H N 0.737 119.763 119.070 -0.074 0.000 3.214 44 H HA 0.113 4.668 4.556 -0.001 0.000 0.291 44 H C -1.828 173.479 175.328 -0.036 0.000 0.926 44 H CA -0.909 55.100 56.048 -0.064 0.000 1.409 44 H CB 0.142 29.857 29.762 -0.079 0.000 1.406 44 H HN 0.061 nan 8.280 nan 0.000 0.561 45 P HA -0.075 nan 4.420 nan 0.000 0.261 45 P C 0.599 177.766 177.300 -0.223 0.000 1.173 45 P CA 0.425 63.384 63.100 -0.235 0.000 0.760 45 P CB 0.526 32.088 31.700 -0.230 0.000 0.783 46 E N 2.838 122.978 120.200 -0.100 0.000 2.130 46 E HA -0.260 4.089 4.350 -0.001 0.000 0.196 46 E C 1.888 178.490 176.600 0.002 0.000 0.998 46 E CA 1.610 57.988 56.400 -0.036 0.000 0.806 46 E CB -0.254 29.436 29.700 -0.015 0.000 0.738 46 E HN 0.541 nan 8.360 nan 0.000 0.459 47 A N 0.537 123.356 122.820 -0.001 0.000 2.125 47 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 47 A C 1.944 179.650 177.584 0.204 0.000 1.156 47 A CA 0.904 53.004 52.037 0.105 0.000 0.671 47 A CB -0.396 18.636 19.000 0.053 0.000 0.794 47 A HN 0.173 nan 8.150 nan 0.000 0.459 48 L N -1.681 119.583 121.223 0.068 0.000 2.558 48 L HA 0.278 4.617 4.340 -0.001 0.000 0.225 48 L C 1.676 178.665 176.870 0.198 0.000 1.128 48 L CA 0.221 55.114 54.840 0.089 0.000 0.868 48 L CB -0.984 40.964 42.059 -0.185 0.000 1.006 48 L HN 0.553 nan 8.230 nan 0.000 0.454 49 G N 0.529 109.429 108.800 0.167 0.000 2.550 49 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.277 49 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.277 49 G C 0.070 175.118 174.900 0.247 0.000 1.190 49 G CA 0.075 45.297 45.100 0.204 0.000 0.971 49 G HN 0.273 nan 8.290 nan 0.000 0.559 50 S N 1.051 116.890 115.700 0.233 0.000 2.416 50 S HA 0.569 5.038 4.470 -0.001 0.000 0.287 50 S C 1.575 176.306 174.600 0.218 0.000 1.139 50 S CA 0.585 58.903 58.200 0.197 0.000 1.058 50 S CB 0.727 64.007 63.200 0.133 0.000 0.967 50 S HN 1.989 nan 8.310 nan 0.000 0.495 51 A N 5.250 128.150 122.820 0.134 0.000 2.024 51 A HA -0.080 4.239 4.320 -0.001 0.000 0.220 51 A C 1.902 179.612 177.584 0.210 0.000 1.164 51 A CA 1.487 53.524 52.037 0.001 0.000 0.643 51 A CB -0.612 18.156 19.000 -0.387 0.000 0.806 51 A HN 0.873 nan 8.150 nan 0.000 0.451 52 L N -0.006 121.385 121.223 0.280 0.000 2.141 52 L HA -0.072 4.267 4.340 -0.001 0.000 0.209 52 L C 2.211 179.117 176.870 0.060 0.000 1.094 52 L CA 2.793 57.735 54.840 0.169 0.000 0.763 52 L CB -0.281 41.882 42.059 0.174 0.000 0.908 52 L HN 0.543 nan 8.230 nan 0.000 0.437 53 T N -5.872 108.734 114.554 0.087 0.000 2.969 53 T HA 0.102 4.451 4.350 -0.001 0.000 0.258 53 T C 0.942 175.660 174.700 0.029 0.000 0.962 53 T CA -0.374 61.748 62.100 0.036 0.000 0.903 53 T CB -0.672 68.202 68.868 0.010 0.000 1.177 53 T HN 0.278 nan 8.240 nan 0.000 0.511 54 H N 2.059 121.118 119.070 -0.018 0.000 3.016 54 H HA 0.174 4.729 4.556 -0.001 0.000 0.345 54 H C 0.947 176.193 175.328 -0.136 0.000 1.066 54 H CA 0.883 56.885 56.048 -0.077 0.000 1.390 54 H CB 1.009 30.786 29.762 0.026 0.000 1.344 54 H HN 0.225 nan 8.280 nan 0.000 0.605 55 K N 2.860 123.035 120.400 -0.374 0.000 2.243 55 K HA -0.051 4.268 4.320 -0.001 0.000 0.201 55 K C 1.033 177.618 176.600 -0.026 0.000 1.051 55 K CA 0.853 56.915 56.287 -0.374 0.000 0.970 55 K CB 0.362 32.370 32.500 -0.820 0.000 0.755 55 K HN 0.622 nan 8.250 nan 0.000 0.465 56 W N -0.283 121.326 121.300 0.515 0.000 2.835 56 W HA 0.358 5.017 4.660 -0.001 0.000 0.278 56 W C 0.345 177.089 176.519 0.375 0.000 1.075 56 W CA -0.270 57.330 57.345 0.426 0.000 1.439 56 W CB 0.409 30.166 29.460 0.494 0.000 0.927 56 W HN -0.217 nan 8.180 nan 0.000 0.604 57 I N 0.612 121.440 120.570 0.430 0.000 2.545 57 I HA 0.567 4.736 4.170 -0.001 0.000 0.292 57 I C 0.125 176.266 176.117 0.040 0.000 1.040 57 I CA -0.128 61.271 61.300 0.166 0.000 1.068 57 I CB 2.488 40.537 38.000 0.081 0.000 1.251 57 I HN -0.360 nan 8.210 nan 0.000 0.424 58 T N 2.387 116.951 114.554 0.017 0.000 2.648 58 T HA 0.558 4.907 4.350 -0.001 0.000 0.304 58 T C -0.934 173.684 174.700 -0.136 0.000 1.312 58 T CA -0.246 61.837 62.100 -0.029 0.000 1.023 58 T CB 1.745 70.651 68.868 0.064 0.000 1.612 58 T HN 0.767 nan 8.240 nan 0.000 0.487 59 T N -0.666 113.814 114.554 -0.122 0.000 2.940 59 T HA 0.698 5.048 4.350 -0.001 0.000 0.288 59 T C 0.041 174.768 174.700 0.045 0.000 1.045 59 T CA -0.468 61.568 62.100 -0.107 0.000 1.018 59 T CB 1.937 70.669 68.868 -0.227 0.000 1.151 59 T HN 0.608 nan 8.240 nan 0.000 0.529 60 D N -0.884 119.551 120.400 0.059 0.000 3.213 60 D HA 0.325 4.964 4.640 -0.001 0.000 0.229 60 D C 1.246 177.673 176.300 0.212 0.000 1.179 60 D CA -0.632 53.457 54.000 0.148 0.000 1.218 60 D CB 0.035 40.907 40.800 0.120 0.000 0.950 60 D HN 0.452 nan 8.370 nan 0.000 0.232 61 F N 0.959 120.964 119.950 0.090 0.000 2.113 61 F HA 0.301 4.827 4.527 -0.001 0.000 0.297 61 F C 0.499 176.321 175.800 0.036 0.000 1.103 61 F CA 1.056 59.107 58.000 0.084 0.000 1.248 61 F CB -0.227 38.829 39.000 0.095 0.000 0.999 61 F HN 0.102 nan 8.300 nan 0.000 0.475 62 A N 0.090 122.940 122.820 0.050 0.000 2.306 62 A HA 0.352 4.672 4.320 -0.001 0.000 0.330 62 A C 0.994 178.507 177.584 -0.118 0.000 1.146 62 A CA -0.157 51.825 52.037 -0.093 0.000 0.827 62 A CB 0.924 20.020 19.000 0.159 0.000 1.178 62 A HN 0.332 nan 8.150 nan 0.000 0.490 63 E N 1.485 121.584 120.200 -0.167 0.000 2.160 63 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 63 E C 1.572 178.135 176.600 -0.061 0.000 0.991 63 E CA 2.224 58.531 56.400 -0.155 0.000 0.810 63 E CB -0.113 29.499 29.700 -0.146 0.000 0.742 63 E HN 0.721 nan 8.360 nan 0.000 0.466 64 A N -0.365 122.441 122.820 -0.022 0.000 2.275 64 A HA 0.156 4.476 4.320 -0.001 0.000 0.212 64 A C 0.598 178.200 177.584 0.030 0.000 1.201 64 A CA -0.230 51.815 52.037 0.014 0.000 0.843 64 A CB -0.027 18.983 19.000 0.016 0.000 0.873 64 A HN 0.219 nan 8.150 nan 0.000 0.492 65 L N 1.396 122.636 121.223 0.029 0.000 2.302 65 L HA 0.408 4.747 4.340 -0.001 0.000 0.285 65 L C -0.242 176.614 176.870 -0.024 0.000 1.090 65 L CA -0.341 54.520 54.840 0.035 0.000 0.866 65 L CB -0.126 41.989 42.059 0.093 0.000 1.244 65 L HN 0.252 nan 8.230 nan 0.000 0.435 66 L N 3.752 124.936 121.223 -0.065 0.000 2.467 66 L HA 0.265 4.604 4.340 -0.001 0.000 0.270 66 L C 0.314 177.003 176.870 -0.302 0.000 1.205 66 L CA 0.180 54.898 54.840 -0.203 0.000 0.828 66 L CB 0.729 42.598 42.059 -0.317 0.000 1.101 66 L HN 0.625 nan 8.230 nan 0.000 0.479 67 E N 1.829 121.792 120.200 -0.394 0.000 2.278 67 E HA 0.381 4.730 4.350 -0.001 0.000 0.272 67 E C -1.712 174.671 176.600 -0.361 0.000 0.890 67 E CA -0.653 55.557 56.400 -0.316 0.000 0.770 67 E CB 1.221 30.862 29.700 -0.098 0.000 1.212 67 E HN 0.220 nan 8.360 nan 0.000 0.415 68 F N 4.210 124.206 119.950 0.076 0.000 2.420 68 F HA 0.515 5.041 4.527 -0.001 0.000 0.342 68 F C 0.106 176.007 175.800 0.167 0.000 1.113 68 F CA -0.636 57.443 58.000 0.131 0.000 1.059 68 F CB 1.037 40.088 39.000 0.086 0.000 1.128 68 F HN 0.322 nan 8.300 nan 0.000 0.475 69 I N 2.256 123.067 120.570 0.401 0.000 2.447 69 I HA 0.308 4.477 4.170 -0.001 0.000 0.287 69 I C -0.291 175.992 176.117 0.277 0.000 1.023 69 I CA -0.751 60.722 61.300 0.288 0.000 1.083 69 I CB 2.205 40.352 38.000 0.245 0.000 1.245 69 I HN 0.622 nan 8.210 nan 0.000 0.434 70 T N 3.454 118.086 114.554 0.130 0.000 2.882 70 T HA 0.543 4.892 4.350 -0.001 0.000 0.287 70 T C -2.445 172.164 174.700 -0.151 0.000 0.992 70 T CA -1.840 60.198 62.100 -0.104 0.000 1.076 70 T CB 1.235 70.016 68.868 -0.144 0.000 0.961 70 T HN 0.263 nan 8.240 nan 0.000 0.490 71 P HA 0.192 nan 4.420 nan 0.000 0.275 71 P C 0.376 177.559 177.300 -0.195 0.000 1.227 71 P CA -0.599 62.396 63.100 -0.175 0.000 0.781 71 P CB 0.772 32.377 31.700 -0.158 0.000 0.906 72 V N 2.687 122.515 119.914 -0.143 0.000 2.752 72 V HA -0.015 4.104 4.120 -0.001 0.000 0.306 72 V C -0.009 176.013 176.094 -0.119 0.000 1.099 72 V CA 1.303 63.511 62.300 -0.153 0.000 1.240 72 V CB -0.256 31.462 31.823 -0.176 0.000 0.887 72 V HN 0.715 nan 8.190 nan 0.000 0.499 73 D N 3.153 123.494 120.400 -0.097 0.000 2.717 73 D HA 0.532 5.172 4.640 -0.001 0.000 0.223 73 D C 0.385 176.665 176.300 -0.033 0.000 1.240 73 D CA 0.224 54.192 54.000 -0.055 0.000 0.801 73 D CB 1.985 42.781 40.800 -0.007 0.000 1.556 73 D HN 0.541 nan 8.370 nan 0.000 0.462 74 G N 1.134 109.917 108.800 -0.028 0.000 2.986 74 G HA2 0.086 4.046 3.960 -0.001 0.000 0.213 74 G HA3 0.086 4.046 3.960 -0.001 0.000 0.213 74 G C 0.137 175.054 174.900 0.029 0.000 1.156 74 G CA -0.081 45.015 45.100 -0.007 0.000 0.763 74 G HN 0.405 nan 8.290 nan 0.000 0.547 75 D N 0.301 120.725 120.400 0.041 0.000 2.308 75 D HA 0.316 4.955 4.640 -0.001 0.000 0.242 75 D C 1.027 177.395 176.300 0.114 0.000 1.059 75 D CA -0.565 53.479 54.000 0.074 0.000 0.830 75 D CB 1.788 42.623 40.800 0.058 0.000 1.161 75 D HN -0.021 nan 8.370 nan 0.000 0.494 76 I N 3.127 123.758 120.570 0.101 0.000 2.163 76 I HA -0.220 3.949 4.170 -0.001 0.000 0.240 76 I C 2.816 178.981 176.117 0.080 0.000 1.081 76 I CA 1.350 62.707 61.300 0.095 0.000 1.353 76 I CB -0.439 37.603 38.000 0.070 0.000 1.054 76 I HN 0.582 nan 8.210 nan 0.000 0.407 77 E N 0.599 120.839 120.200 0.067 0.000 2.070 77 E HA -0.346 4.003 4.350 -0.001 0.000 0.197 77 E C 2.093 178.743 176.600 0.082 0.000 1.004 77 E CA 2.042 58.476 56.400 0.057 0.000 0.805 77 E CB -1.440 28.288 29.700 0.047 0.000 0.744 77 E HN 0.651 nan 8.360 nan 0.000 0.451 78 H N -0.604 118.483 119.070 0.029 0.000 2.293 78 H HA -0.058 4.498 4.556 -0.001 0.000 0.300 78 H C 2.481 177.847 175.328 0.064 0.000 1.082 78 H CA 2.141 58.213 56.048 0.041 0.000 1.308 78 H CB -0.254 29.526 29.762 0.029 0.000 1.375 78 H HN 0.472 nan 8.280 nan 0.000 0.495 79 M N 0.405 120.076 119.600 0.119 0.000 2.082 79 M HA -0.201 4.279 4.480 -0.001 0.000 0.258 79 M C 2.290 178.616 176.300 0.043 0.000 1.069 79 M CA 1.605 56.937 55.300 0.053 0.000 1.102 79 M CB -0.106 32.538 32.600 0.072 0.000 1.336 79 M HN 0.268 nan 8.290 nan 0.000 0.404 80 L N -0.780 120.464 121.223 0.035 0.000 2.056 80 L HA -0.190 4.150 4.340 -0.001 0.000 0.207 80 L C 2.336 179.197 176.870 -0.016 0.000 1.078 80 L CA 1.576 56.423 54.840 0.013 0.000 0.749 80 L CB -0.960 41.098 42.059 -0.001 0.000 0.901 80 L HN 0.349 nan 8.230 nan 0.000 0.433 81 T N -0.315 114.215 114.554 -0.040 0.000 2.746 81 T HA -0.215 4.134 4.350 -0.001 0.000 0.267 81 T C 1.605 176.253 174.700 -0.087 0.000 1.039 81 T CA 1.394 63.448 62.100 -0.078 0.000 1.142 81 T CB -0.361 68.447 68.868 -0.099 0.000 0.866 81 T HN 0.172 nan 8.240 nan 0.000 0.444 82 F N 1.782 121.571 119.950 -0.268 0.000 2.069 82 F HA -0.117 4.409 4.527 -0.001 0.000 0.298 82 F C 2.354 178.058 175.800 -0.160 0.000 1.113 82 F CA 1.485 59.317 58.000 -0.280 0.000 1.214 82 F CB -0.551 38.235 39.000 -0.356 0.000 0.978 82 F HN 0.024 nan 8.300 nan 0.000 0.474 83 M N 0.576 120.326 119.600 0.249 0.000 2.106 83 M HA -0.239 4.240 4.480 -0.001 0.000 0.259 83 M C 2.283 178.627 176.300 0.073 0.000 1.068 83 M CA 1.813 57.226 55.300 0.188 0.000 1.100 83 M CB -0.639 32.047 32.600 0.144 0.000 1.351 83 M HN 0.170 nan 8.290 nan 0.000 0.404 84 R N -0.454 120.024 120.500 -0.037 0.000 2.075 84 R HA -0.139 4.200 4.340 -0.001 0.000 0.232 84 R C 1.678 177.932 176.300 -0.076 0.000 1.126 84 R CA 1.764 57.800 56.100 -0.107 0.000 0.963 84 R CB -0.340 29.882 30.300 -0.129 0.000 0.858 84 R HN 0.397 nan 8.270 nan 0.000 0.435 85 D N 0.688 121.023 120.400 -0.108 0.000 2.133 85 D HA -0.198 4.441 4.640 -0.001 0.000 0.195 85 D C 1.917 178.228 176.300 0.018 0.000 0.997 85 D CA 1.209 55.158 54.000 -0.085 0.000 0.840 85 D CB -0.200 40.464 40.800 -0.227 0.000 0.947 85 D HN 0.256 nan 8.370 nan 0.000 0.452 86 L N -0.224 120.986 121.223 -0.022 0.000 2.042 86 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 86 L C 2.385 179.082 176.870 -0.288 0.000 1.076 86 L CA 1.294 56.152 54.840 0.029 0.000 0.749 86 L CB -0.586 41.465 42.059 -0.014 0.000 0.893 86 L HN 0.139 nan 8.230 nan 0.000 0.432 87 H N -0.450 118.289 119.070 -0.552 0.000 2.353 87 H HA -0.097 4.458 4.556 -0.001 0.000 0.300 87 H C 2.491 177.699 175.328 -0.200 0.000 1.090 87 H CA 1.429 57.179 56.048 -0.497 0.000 1.327 87 H CB 0.001 29.522 29.762 -0.401 0.000 1.383 87 H HN 0.122 nan 8.280 nan 0.000 0.508 88 R N -0.709 119.777 120.500 -0.024 0.000 2.073 88 R HA -0.188 4.151 4.340 -0.001 0.000 0.234 88 R C 1.991 178.243 176.300 -0.079 0.000 1.134 88 R CA 1.704 57.784 56.100 -0.034 0.000 0.952 88 R CB -0.486 29.799 30.300 -0.025 0.000 0.850 88 R HN 0.345 nan 8.270 nan 0.000 0.433 89 Y N 1.265 121.400 120.300 -0.275 0.000 2.145 89 Y HA -0.219 4.331 4.550 -0.001 0.000 0.286 89 Y C 2.239 177.964 175.900 -0.292 0.000 1.145 89 Y CA 1.905 59.731 58.100 -0.455 0.000 1.148 89 Y CB -0.406 37.342 38.460 -1.187 0.000 0.981 89 Y HN -0.019 nan 8.280 nan 0.000 0.507 90 T N 0.442 114.906 114.554 -0.150 0.000 2.746 90 T HA -0.182 4.167 4.350 -0.001 0.000 0.267 90 T C 2.091 176.723 174.700 -0.113 0.000 1.039 90 T CA 1.406 63.457 62.100 -0.083 0.000 1.142 90 T CB -0.767 68.208 68.868 0.179 0.000 0.866 90 T HN 0.463 nan 8.240 nan 0.000 0.444 91 A N 1.446 124.225 122.820 -0.069 0.000 2.070 91 A HA -0.069 4.250 4.320 -0.001 0.000 0.220 91 A C 2.263 179.791 177.584 -0.095 0.000 1.159 91 A CA 1.106 53.123 52.037 -0.034 0.000 0.656 91 A CB -0.376 18.629 19.000 0.009 0.000 0.800 91 A HN 0.381 nan 8.150 nan 0.000 0.453 92 R N -0.730 119.656 120.500 -0.189 0.000 2.300 92 R HA 0.119 4.458 4.340 -0.001 0.000 0.199 92 R C -0.152 176.000 176.300 -0.247 0.000 0.920 92 R CA 0.232 56.209 56.100 -0.205 0.000 1.046 92 R CB 0.153 30.306 30.300 -0.245 0.000 0.984 92 R HN 0.369 nan 8.270 nan 0.000 0.493 93 N N 0.703 119.233 118.700 -0.284 0.000 2.517 93 N HA 0.110 4.849 4.740 -0.001 0.000 0.285 93 N C 0.050 175.454 175.510 -0.176 0.000 1.528 93 N CA 0.094 52.975 53.050 -0.281 0.000 0.892 93 N CB 1.111 39.309 38.487 -0.481 0.000 1.356 93 N HN 0.204 nan 8.380 nan 0.000 0.495 94 M N -2.662 116.867 119.600 -0.118 0.000 3.017 94 M HA 0.361 4.840 4.480 -0.001 0.000 0.423 94 M C 0.645 176.915 176.300 -0.050 0.000 1.395 94 M CA -0.505 54.749 55.300 -0.075 0.000 0.816 94 M CB 0.609 33.181 32.600 -0.047 0.000 1.440 94 M HN -0.025 nan 8.290 nan 0.000 0.506 95 G N 2.493 111.259 108.800 -0.057 0.000 2.611 95 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.301 95 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.301 95 G C -0.010 174.874 174.900 -0.027 0.000 1.233 95 G CA 1.009 46.085 45.100 -0.040 0.000 0.993 95 G HN 0.644 nan 8.290 nan 0.000 0.553 96 D N 1.705 122.095 120.400 -0.017 0.000 2.342 96 D HA 0.301 4.940 4.640 -0.001 0.000 0.221 96 D C 0.863 177.168 176.300 0.008 0.000 1.101 96 D CA 0.373 54.369 54.000 -0.007 0.000 0.837 96 D CB -0.010 40.785 40.800 -0.009 0.000 0.938 96 D HN 0.524 nan 8.370 nan 0.000 0.508 97 E N 0.606 120.812 120.200 0.010 0.000 2.349 97 E HA 0.299 4.648 4.350 -0.001 0.000 0.265 97 E C 0.551 177.184 176.600 0.056 0.000 1.064 97 E CA -0.476 55.943 56.400 0.032 0.000 0.886 97 E CB 0.975 30.690 29.700 0.025 0.000 1.036 97 E HN 0.124 nan 8.360 nan 0.000 0.413 98 R N 1.733 122.291 120.500 0.096 0.000 2.947 98 R HA 0.476 4.815 4.340 -0.001 0.000 0.253 98 R C -1.048 175.362 176.300 0.185 0.000 1.208 98 R CA -0.936 55.241 56.100 0.128 0.000 1.012 98 R CB 0.564 30.938 30.300 0.123 0.000 1.267 98 R HN 0.446 nan 8.270 nan 0.000 0.473 99 M N 1.237 120.967 119.600 0.217 0.000 2.129 99 M HA 0.312 4.791 4.480 -0.001 0.000 0.348 99 M C -0.439 176.046 176.300 0.308 0.000 1.116 99 M CA -0.524 54.933 55.300 0.262 0.000 1.022 99 M CB 1.617 34.385 32.600 0.280 0.000 1.599 99 M HN 0.401 nan 8.290 nan 0.000 0.449 100 W N 6.893 128.266 121.300 0.121 0.000 2.251 100 W HA 0.157 4.817 4.660 -0.001 0.000 0.327 100 W C -2.163 174.419 176.519 0.105 0.000 1.361 100 W CA -0.971 56.441 57.345 0.110 0.000 1.234 100 W CB 1.111 30.628 29.460 0.095 0.000 1.212 100 W HN 0.446 nan 8.180 nan 0.000 0.557 101 P HA 0.184 nan 4.420 nan 0.000 0.272 101 P C -0.462 176.604 177.300 -0.391 0.000 1.408 101 P CA 0.459 63.395 63.100 -0.272 0.000 0.996 101 P CB 0.562 32.140 31.700 -0.205 0.000 1.481 102 L N -1.293 119.669 121.223 -0.435 0.000 2.333 102 L HA 0.408 4.747 4.340 -0.001 0.000 0.263 102 L C 1.547 178.442 176.870 0.041 0.000 1.014 102 L CA -0.671 54.023 54.840 -0.243 0.000 0.820 102 L CB 1.641 43.547 42.059 -0.254 0.000 1.352 102 L HN -0.374 nan 8.230 nan 0.000 0.421 103 S N 0.739 116.457 115.700 0.031 0.000 2.356 103 S HA 0.063 4.532 4.470 -0.001 0.000 0.223 103 S C 0.748 175.420 174.600 0.121 0.000 1.032 103 S CA 1.158 59.402 58.200 0.074 0.000 1.005 103 S CB -0.058 63.165 63.200 0.038 0.000 0.867 103 S HN 0.368 nan 8.310 nan 0.000 0.449 104 M N 2.536 122.202 119.600 0.110 0.000 2.146 104 M HA 0.344 4.824 4.480 -0.001 0.000 0.357 104 M C -2.444 174.024 176.300 0.280 0.000 1.261 104 M CA -2.951 52.391 55.300 0.070 0.000 1.106 104 M CB 0.200 32.774 32.600 -0.043 0.000 1.612 104 M HN 0.026 nan 8.290 nan 0.000 0.470 105 P HA 0.259 nan 4.420 nan 0.000 0.278 105 P C 0.043 177.342 177.300 -0.001 0.000 1.266 105 P CA -0.219 62.858 63.100 -0.038 0.000 0.807 105 P CB 1.427 33.076 31.700 -0.084 0.000 1.094 106 S N -0.479 115.058 115.700 -0.272 0.000 2.830 106 S HA 0.127 4.596 4.470 -0.001 0.000 0.249 106 S C 0.421 174.760 174.600 -0.435 0.000 1.084 106 S CA -0.098 57.926 58.200 -0.294 0.000 0.852 106 S CB -0.405 62.565 63.200 -0.382 0.000 0.802 106 S HN 0.349 nan 8.310 nan 0.000 0.481 107 Y N 2.089 122.269 120.300 -0.199 0.000 2.928 107 Y HA 0.566 5.115 4.550 -0.001 0.000 0.390 107 Y C -0.310 175.514 175.900 -0.126 0.000 1.101 107 Y CA -0.343 57.678 58.100 -0.132 0.000 1.777 107 Y CB -0.252 38.127 38.460 -0.135 0.000 1.720 107 Y HN 0.148 nan 8.280 nan 0.000 0.484 108 I N 0.958 121.507 120.570 -0.034 0.000 2.447 108 I HA 0.559 4.728 4.170 -0.001 0.000 0.287 108 I C -0.095 175.966 176.117 -0.092 0.000 1.023 108 I CA -1.047 60.219 61.300 -0.055 0.000 1.083 108 I CB 1.518 39.475 38.000 -0.072 0.000 1.245 108 I HN 0.212 nan 8.210 nan 0.000 0.434 109 A N 4.264 127.040 122.820 -0.074 0.000 2.304 109 A HA 0.652 4.972 4.320 -0.001 0.000 0.271 109 A C 0.424 177.924 177.584 -0.140 0.000 1.091 109 A CA -0.203 51.781 52.037 -0.088 0.000 0.812 109 A CB 0.401 19.373 19.000 -0.047 0.000 1.056 109 A HN 0.794 nan 8.150 nan 0.000 0.489 110 E N -0.157 119.952 120.200 -0.152 0.000 2.414 110 E HA 0.413 4.762 4.350 -0.001 0.000 0.263 110 E C 1.364 177.905 176.600 -0.098 0.000 1.000 110 E CA 0.360 56.664 56.400 -0.160 0.000 0.914 110 E CB -0.339 29.277 29.700 -0.140 0.000 0.948 110 E HN 2.557 nan 8.360 nan 0.000 0.444 111 G N 1.144 109.891 108.800 -0.088 0.000 2.175 111 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.265 111 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.265 111 G C 0.654 175.532 174.900 -0.038 0.000 0.979 111 G CA 0.805 45.875 45.100 -0.050 0.000 0.663 111 G HN 1.125 nan 8.290 nan 0.000 0.533 112 Q N 0.429 120.200 119.800 -0.049 0.000 2.304 112 Q HA 0.191 4.530 4.340 -0.001 0.000 0.301 112 Q C -0.104 175.890 176.000 -0.010 0.000 1.063 112 Q CA 0.267 56.051 55.803 -0.031 0.000 0.947 112 Q CB 0.255 28.970 28.738 -0.037 0.000 1.201 112 Q HN 0.234 nan 8.270 nan 0.000 0.389 113 D N 4.409 124.805 120.400 -0.007 0.000 2.455 113 D HA 0.160 4.799 4.640 -0.001 0.000 0.234 113 D C -0.972 175.332 176.300 0.006 0.000 1.224 113 D CA -0.082 53.918 54.000 -0.000 0.000 0.999 113 D CB -0.169 40.626 40.800 -0.009 0.000 1.072 113 D HN 0.377 nan 8.370 nan 0.000 0.514 114 I N 2.358 122.947 120.570 0.032 0.000 2.395 114 I HA 0.107 4.276 4.170 -0.001 0.000 0.289 114 I C 0.976 177.093 176.117 0.001 0.000 1.023 114 I CA -0.518 60.807 61.300 0.041 0.000 1.350 114 I CB 1.184 39.258 38.000 0.124 0.000 1.409 114 I HN 0.242 nan 8.210 nan 0.000 0.507 115 E N 6.619 126.797 120.200 -0.036 0.000 2.328 115 E HA 0.120 4.469 4.350 -0.001 0.000 0.265 115 E C -0.611 175.887 176.600 -0.169 0.000 1.057 115 E CA -0.377 55.969 56.400 -0.089 0.000 0.916 115 E CB 0.496 30.146 29.700 -0.084 0.000 0.993 115 E HN 0.449 nan 8.360 nan 0.000 0.446 116 L N 3.124 124.197 121.223 -0.251 0.000 2.483 116 L HA 0.071 4.410 4.340 -0.001 0.000 0.275 116 L C 0.753 177.404 176.870 -0.365 0.000 1.220 116 L CA -0.304 54.274 54.840 -0.438 0.000 0.833 116 L CB 0.257 42.080 42.059 -0.394 0.000 1.102 116 L HN 0.622 nan 8.230 nan 0.000 0.490 117 A N 3.098 125.669 122.820 -0.416 0.000 2.565 117 A HA 0.116 4.436 4.320 -0.001 0.000 0.237 117 A C -0.071 177.169 177.584 -0.572 0.000 1.053 117 A CA -0.143 51.612 52.037 -0.470 0.000 0.755 117 A CB 0.032 18.779 19.000 -0.423 0.000 0.980 117 A HN 0.639 nan 8.150 nan 0.000 0.506 118 Q N 1.333 120.749 119.800 -0.641 0.000 2.325 118 Q HA 0.393 4.733 4.340 -0.001 0.000 0.262 118 Q C -1.161 174.455 176.000 -0.639 0.000 0.968 118 Q CA 0.012 55.530 55.803 -0.474 0.000 0.877 118 Q CB 1.187 29.761 28.738 -0.274 0.000 1.253 118 Q HN 0.779 nan 8.270 nan 0.000 0.448 119 Y N 0.012 120.255 120.300 -0.095 0.000 2.557 119 Y HA 0.388 4.938 4.550 -0.001 0.000 0.247 119 Y C 1.221 177.075 175.900 -0.077 0.000 1.164 119 Y CA 0.230 58.284 58.100 -0.078 0.000 1.218 119 Y CB 0.940 39.360 38.460 -0.066 0.000 1.210 119 Y HN 0.858 nan 8.280 nan 0.000 0.529 120 G N 0.464 109.264 108.800 0.001 0.000 2.582 120 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.222 120 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.222 120 G C 0.658 175.519 174.900 -0.064 0.000 1.311 120 G CA -0.092 44.992 45.100 -0.027 0.000 0.915 120 G HN 0.286 nan 8.290 nan 0.000 0.528 121 T N -1.816 112.694 114.554 -0.073 0.000 3.060 121 T HA 0.501 4.851 4.350 -0.001 0.000 0.249 121 T C 1.574 176.196 174.700 -0.129 0.000 1.079 121 T CA 1.266 63.303 62.100 -0.105 0.000 1.013 121 T CB -0.161 68.662 68.868 -0.075 0.000 0.975 121 T HN 2.102 nan 8.240 nan 0.000 0.518 122 S N 1.696 117.325 115.700 -0.118 0.000 2.576 122 S HA 0.136 4.606 4.470 -0.001 0.000 0.272 122 S C 1.156 175.605 174.600 -0.252 0.000 1.352 122 S CA -0.554 57.552 58.200 -0.156 0.000 1.021 122 S CB 0.455 63.582 63.200 -0.123 0.000 0.887 122 S HN 0.196 nan 8.310 nan 0.000 0.542 123 N N 1.858 120.328 118.700 -0.384 0.000 2.120 123 N HA -0.091 4.649 4.740 -0.001 0.000 0.188 123 N C 1.779 176.916 175.510 -0.622 0.000 1.024 123 N CA 1.878 54.535 53.050 -0.655 0.000 0.852 123 N CB -1.365 36.224 38.487 -1.497 0.000 1.003 123 N HN 0.783 nan 8.380 nan 0.000 0.424 124 T N 0.332 114.607 114.554 -0.465 0.000 2.652 124 T HA -0.114 4.236 4.350 -0.001 0.000 0.267 124 T C 1.925 176.593 174.700 -0.054 0.000 1.039 124 T CA 1.606 63.594 62.100 -0.187 0.000 1.153 124 T CB -0.874 67.936 68.868 -0.098 0.000 0.863 124 T HN 0.408 nan 8.240 nan 0.000 0.428 125 G N 1.596 110.341 108.800 -0.090 0.000 2.476 125 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.218 125 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.218 125 G C 1.692 176.586 174.900 -0.009 0.000 1.164 125 G CA 0.705 45.797 45.100 -0.013 0.000 0.768 125 G HN 0.456 nan 8.290 nan 0.000 0.560 126 R N -0.986 119.415 120.500 -0.165 0.000 2.115 126 R HA 0.049 4.388 4.340 -0.001 0.000 0.230 126 R C 2.276 178.498 176.300 -0.130 0.000 1.111 126 R CA 0.891 56.781 56.100 -0.351 0.000 0.976 126 R CB -0.437 29.311 30.300 -0.921 0.000 0.870 126 R HN 0.414 nan 8.270 nan 0.000 0.445 127 F N 2.282 122.221 119.950 -0.018 0.000 2.084 127 F HA -0.142 4.385 4.527 -0.001 0.000 0.296 127 F C 1.993 177.898 175.800 0.175 0.000 1.111 127 F CA 1.498 59.642 58.000 0.241 0.000 1.224 127 F CB -0.045 39.138 39.000 0.306 0.000 0.991 127 F HN -0.229 nan 8.300 nan 0.000 0.471 128 K N -0.621 119.849 120.400 0.116 0.000 2.044 128 K HA -0.183 4.136 4.320 -0.001 0.000 0.210 128 K C 1.981 178.648 176.600 0.112 0.000 1.049 128 K CA 2.114 58.423 56.287 0.038 0.000 0.927 128 K CB -0.688 31.704 32.500 -0.180 0.000 0.713 128 K HN 0.262 nan 8.250 nan 0.000 0.443 129 T N 1.711 116.340 114.554 0.124 0.000 2.867 129 T HA -0.111 4.239 4.350 -0.001 0.000 0.268 129 T C 1.680 176.369 174.700 -0.019 0.000 1.057 129 T CA 0.854 62.986 62.100 0.054 0.000 1.136 129 T CB -0.104 68.761 68.868 -0.005 0.000 0.874 129 T HN 0.091 nan 8.240 nan 0.000 0.466 130 L N 0.429 121.646 121.223 -0.011 0.000 2.072 130 L HA 0.039 4.379 4.340 -0.001 0.000 0.205 130 L C 2.094 178.961 176.870 -0.005 0.000 1.079 130 L CA 1.554 56.398 54.840 0.007 0.000 0.752 130 L CB -0.959 41.171 42.059 0.118 0.000 0.906 130 L HN 0.240 nan 8.230 nan 0.000 0.436 131 Y N 1.022 121.190 120.300 -0.220 0.000 2.069 131 Y HA -0.353 4.197 4.550 -0.001 0.000 0.278 131 Y C 2.666 178.555 175.900 -0.018 0.000 1.175 131 Y CA 2.323 60.315 58.100 -0.179 0.000 1.134 131 Y CB -0.473 37.849 38.460 -0.230 0.000 0.965 131 Y HN 0.201 nan 8.280 nan 0.000 0.498 132 R N -0.235 120.170 120.500 -0.159 0.000 2.081 132 R HA -0.184 4.155 4.340 -0.001 0.000 0.235 132 R C 2.224 178.487 176.300 -0.061 0.000 1.131 132 R CA 1.492 57.489 56.100 -0.171 0.000 0.960 132 R CB -0.435 29.688 30.300 -0.294 0.000 0.856 132 R HN 0.323 nan 8.270 nan 0.000 0.436 133 E N 0.266 120.419 120.200 -0.079 0.000 2.097 133 E HA -0.162 4.187 4.350 -0.001 0.000 0.196 133 E C 1.926 178.503 176.600 -0.038 0.000 1.000 133 E CA 1.886 58.262 56.400 -0.040 0.000 0.804 133 E CB -0.573 29.107 29.700 -0.034 0.000 0.740 133 E HN 0.355 nan 8.360 nan 0.000 0.454 134 G N 0.649 109.408 108.800 -0.068 0.000 2.459 134 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.217 134 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.217 134 G C 1.629 176.419 174.900 -0.183 0.000 1.183 134 G CA 1.119 46.149 45.100 -0.117 0.000 0.776 134 G HN 0.316 nan 8.290 nan 0.000 0.552 135 L N 0.545 121.677 121.223 -0.152 0.000 2.012 135 L HA -0.115 4.225 4.340 -0.001 0.000 0.210 135 L C 2.805 179.681 176.870 0.010 0.000 1.073 135 L CA 1.860 56.672 54.840 -0.047 0.000 0.748 135 L CB -0.437 41.646 42.059 0.040 0.000 0.891 135 L HN 0.296 nan 8.230 nan 0.000 0.431 136 K N 0.327 120.812 120.400 0.141 0.000 2.032 136 K HA -0.214 4.106 4.320 -0.001 0.000 0.209 136 K C 1.876 178.472 176.600 -0.007 0.000 1.048 136 K CA 1.871 58.242 56.287 0.140 0.000 0.927 136 K CB -0.073 32.558 32.500 0.219 0.000 0.712 136 K HN 0.283 nan 8.250 nan 0.000 0.441 137 N N 0.545 119.204 118.700 -0.069 0.000 2.331 137 N HA -0.065 4.674 4.740 -0.001 0.000 0.180 137 N C 1.621 177.012 175.510 -0.198 0.000 1.019 137 N CA 0.901 53.889 53.050 -0.103 0.000 0.881 137 N CB 0.010 38.445 38.487 -0.088 0.000 0.972 137 N HN 0.310 nan 8.380 nan 0.000 0.435 138 R N -0.761 119.494 120.500 -0.409 0.000 2.140 138 R HA 0.054 4.394 4.340 -0.001 0.000 0.213 138 R C 0.673 176.568 176.300 -0.675 0.000 1.059 138 R CA 0.904 56.552 56.100 -0.753 0.000 1.000 138 R CB 0.123 29.509 30.300 -1.523 0.000 0.910 138 R HN 0.295 nan 8.270 nan 0.000 0.455 139 Y N -1.155 119.114 120.300 -0.052 0.000 2.610 139 Y HA 0.393 4.942 4.550 -0.001 0.000 0.254 139 Y C 0.561 176.425 175.900 -0.059 0.000 1.110 139 Y CA -0.104 57.973 58.100 -0.037 0.000 1.238 139 Y CB 1.113 39.541 38.460 -0.054 0.000 1.322 139 Y HN 0.120 nan 8.280 nan 0.000 0.547 140 G N 0.883 109.707 108.800 0.040 0.000 2.721 140 G HA2 0.082 4.041 3.960 -0.001 0.000 0.686 140 G HA3 0.082 4.041 3.960 -0.001 0.000 0.686 140 G C 0.672 175.540 174.900 -0.053 0.000 1.236 140 G CA -0.341 44.756 45.100 -0.004 0.000 0.786 140 G HN 0.564 nan 8.290 nan 0.000 0.616 141 A N 1.210 124.010 122.820 -0.033 0.000 2.014 141 A HA 0.233 4.552 4.320 -0.001 0.000 0.218 141 A C 2.552 180.039 177.584 -0.160 0.000 1.163 141 A CA 2.373 54.366 52.037 -0.073 0.000 0.652 141 A CB -0.223 18.879 19.000 0.171 0.000 0.808 141 A HN 1.921 nan 8.150 nan 0.000 0.449 142 L N -0.158 120.983 121.223 -0.137 0.000 1.990 142 L HA -0.226 4.113 4.340 -0.001 0.000 0.213 142 L C 2.495 179.318 176.870 -0.077 0.000 1.072 142 L CA 2.828 57.547 54.840 -0.203 0.000 0.755 142 L CB -0.523 41.291 42.059 -0.409 0.000 0.889 142 L HN 0.568 nan 8.230 nan 0.000 0.432 143 M N -1.339 118.243 119.600 -0.030 0.000 2.195 143 M HA -0.260 4.219 4.480 -0.001 0.000 0.260 143 M C 1.663 178.000 176.300 0.061 0.000 1.066 143 M CA 1.735 57.102 55.300 0.112 0.000 1.089 143 M CB -0.250 32.340 32.600 -0.016 0.000 1.377 143 M HN 0.407 nan 8.290 nan 0.000 0.411 144 Q N -0.002 119.692 119.800 -0.177 0.000 2.482 144 Q HA -0.021 4.318 4.340 -0.001 0.000 0.209 144 Q C 1.713 177.699 176.000 -0.024 0.000 0.961 144 Q CA 1.583 57.243 55.803 -0.238 0.000 0.945 144 Q CB -0.225 27.744 28.738 -1.282 0.000 1.012 144 Q HN 0.769 nan 8.270 nan 0.000 0.515 145 T N -3.482 111.109 114.554 0.061 0.000 3.060 145 T HA 0.247 4.596 4.350 -0.001 0.000 0.249 145 T C 0.985 175.770 174.700 0.143 0.000 1.079 145 T CA -0.262 61.908 62.100 0.117 0.000 1.013 145 T CB 0.132 69.063 68.868 0.105 0.000 0.975 145 T HN 0.000 nan 8.240 nan 0.000 0.518 146 I N 3.872 124.550 120.570 0.181 0.000 2.618 146 I HA 0.189 4.358 4.170 -0.001 0.000 0.284 146 I C 0.736 176.873 176.117 0.033 0.000 1.146 146 I CA -0.171 61.203 61.300 0.124 0.000 1.425 146 I CB 0.576 38.663 38.000 0.146 0.000 1.383 146 I HN 0.389 nan 8.210 nan 0.000 0.562 147 S N 4.543 120.260 115.700 0.029 0.000 2.689 147 S HA 0.965 5.435 4.470 -0.001 0.000 0.306 147 S C -0.331 174.245 174.600 -0.039 0.000 1.104 147 S CA -0.539 57.645 58.200 -0.027 0.000 0.973 147 S CB 2.359 65.585 63.200 0.043 0.000 1.121 147 S HN 0.841 nan 8.310 nan 0.000 0.523 148 G N -0.685 108.070 108.800 -0.075 0.000 2.649 148 G HA2 0.586 4.545 3.960 -0.001 0.000 0.290 148 G HA3 0.586 4.545 3.960 -0.001 0.000 0.290 148 G C -1.926 172.943 174.900 -0.052 0.000 1.426 148 G CA -0.617 44.459 45.100 -0.039 0.000 0.794 148 G HN 0.911 nan 8.290 nan 0.000 0.483 149 V N 0.225 120.165 119.914 0.043 0.000 2.628 149 V HA 0.552 4.671 4.120 -0.001 0.000 0.306 149 V C -0.711 175.518 176.094 0.225 0.000 1.045 149 V CA -0.700 61.642 62.300 0.070 0.000 0.905 149 V CB 1.706 33.601 31.823 0.120 0.000 0.997 149 V HN 0.776 nan 8.190 nan 0.000 0.436 150 H N 2.860 122.015 119.070 0.142 0.000 2.495 150 H HA 0.463 5.019 4.556 -0.001 0.000 0.348 150 H C -1.615 173.843 175.328 0.216 0.000 1.113 150 H CA -0.589 55.556 56.048 0.163 0.000 1.195 150 H CB 2.143 31.981 29.762 0.128 0.000 1.521 150 H HN 0.671 nan 8.280 nan 0.000 0.509 151 Y N 3.639 124.079 120.300 0.233 0.000 2.328 151 Y HA 0.278 4.827 4.550 -0.001 0.000 0.337 151 Y C -1.111 174.898 175.900 0.182 0.000 0.966 151 Y CA -0.889 57.318 58.100 0.179 0.000 1.136 151 Y CB 0.707 39.261 38.460 0.157 0.000 1.170 151 Y HN 0.599 nan 8.280 nan 0.000 0.470 152 N N 6.980 125.498 118.700 -0.304 0.000 2.372 152 N HA 0.378 5.117 4.740 -0.001 0.000 0.291 152 N C -1.953 173.334 175.510 -0.371 0.000 1.024 152 N CA -0.360 52.569 53.050 -0.202 0.000 0.873 152 N CB 2.266 40.655 38.487 -0.163 0.000 1.206 152 N HN 0.674 nan 8.380 nan 0.000 0.486 153 F N 1.207 120.960 119.950 -0.328 0.000 2.596 153 F HA 0.458 4.984 4.527 -0.001 0.000 0.311 153 F C -1.121 174.646 175.800 -0.056 0.000 1.116 153 F CA -0.527 57.308 58.000 -0.276 0.000 0.957 153 F CB 1.329 40.178 39.000 -0.252 0.000 1.250 153 F HN 0.421 nan 8.300 nan 0.000 0.444 154 S N 5.670 120.910 115.700 -0.767 0.000 2.546 154 S HA 0.737 5.206 4.470 -0.001 0.000 0.274 154 S C -1.376 172.802 174.600 -0.704 0.000 1.121 154 S CA -0.938 56.956 58.200 -0.511 0.000 0.887 154 S CB 1.782 64.926 63.200 -0.093 0.000 1.094 154 S HN 0.818 nan 8.310 nan 0.000 0.474 155 L N 2.461 123.477 121.223 -0.345 0.000 2.418 155 L HA 0.540 4.879 4.340 -0.001 0.000 0.265 155 L C -1.968 174.837 176.870 -0.108 0.000 1.143 155 L CA -2.020 52.599 54.840 -0.369 0.000 0.809 155 L CB 0.921 42.646 42.059 -0.556 0.000 1.124 155 L HN 0.537 nan 8.230 nan 0.000 0.456 156 P HA 0.170 nan 4.420 nan 0.000 0.278 156 P C 0.270 177.636 177.300 0.111 0.000 1.258 156 P CA -0.639 62.471 63.100 0.018 0.000 0.811 156 P CB 0.762 32.461 31.700 -0.002 0.000 1.063 157 M N 0.841 120.555 119.600 0.189 0.000 2.108 157 M HA -0.158 4.322 4.480 -0.001 0.000 0.261 157 M C 2.088 178.497 176.300 0.181 0.000 1.066 157 M CA 2.113 57.582 55.300 0.280 0.000 1.107 157 M CB -2.432 30.285 32.600 0.196 0.000 1.356 157 M HN 0.496 nan 8.290 nan 0.000 0.406 158 A N -0.166 122.715 122.820 0.101 0.000 2.009 158 A HA -0.248 4.072 4.320 -0.001 0.000 0.222 158 A C 2.145 179.759 177.584 0.049 0.000 1.175 158 A CA 1.849 53.925 52.037 0.065 0.000 0.651 158 A CB -1.173 17.854 19.000 0.045 0.000 0.815 158 A HN 0.476 nan 8.150 nan 0.000 0.459 159 F N -1.042 118.804 119.950 -0.173 0.000 2.084 159 F HA -0.100 4.427 4.527 -0.001 0.000 0.296 159 F C 1.977 177.603 175.800 -0.290 0.000 1.111 159 F CA 1.767 59.582 58.000 -0.308 0.000 1.224 159 F CB -0.516 38.112 39.000 -0.620 0.000 0.991 159 F HN 0.394 nan 8.300 nan 0.000 0.471 160 W N 0.620 121.963 121.300 0.071 0.000 2.388 160 W HA -0.110 4.549 4.660 -0.001 0.000 0.294 160 W C 2.506 178.963 176.519 -0.102 0.000 1.212 160 W CA 0.987 58.289 57.345 -0.071 0.000 1.271 160 W CB -0.890 28.574 29.460 0.007 0.000 1.126 160 W HN 0.053 nan 8.180 nan 0.000 0.535 161 Q N 0.253 120.141 119.800 0.147 0.000 2.135 161 Q HA -0.175 4.164 4.340 -0.001 0.000 0.204 161 Q C 2.424 178.430 176.000 0.010 0.000 0.981 161 Q CA 1.904 57.751 55.803 0.073 0.000 0.856 161 Q CB -0.469 28.310 28.738 0.068 0.000 0.902 161 Q HN 0.338 nan 8.270 nan 0.000 0.425 162 A N 0.471 123.275 122.820 -0.026 0.000 2.072 162 A HA -0.067 4.252 4.320 -0.001 0.000 0.216 162 A C 1.754 179.347 177.584 0.015 0.000 1.156 162 A CA 0.591 52.608 52.037 -0.033 0.000 0.701 162 A CB -0.069 18.884 19.000 -0.079 0.000 0.816 162 A HN 0.064 nan 8.150 nan 0.000 0.458 163 K N 0.454 120.765 120.400 -0.149 0.000 2.555 163 K HA 0.014 4.333 4.320 -0.001 0.000 0.193 163 K C -0.286 176.130 176.600 -0.306 0.000 1.032 163 K CA 0.814 56.826 56.287 -0.458 0.000 1.004 163 K CB -0.136 31.939 32.500 -0.708 0.000 0.804 163 K HN 0.679 nan 8.250 nan 0.000 0.496 173 K N 0.651 120.994 120.400 -0.094 0.000 2.184 173 K HA -0.274 4.045 4.320 -0.001 0.000 0.210 173 K C 1.698 178.234 176.600 -0.108 0.000 1.048 173 K CA 2.808 59.036 56.287 -0.098 0.000 0.931 173 K CB -1.069 31.407 32.500 -0.040 0.000 0.718 173 K HN 0.763 nan 8.250 nan 0.000 0.465 174 E N -0.283 119.872 120.200 -0.075 0.000 2.250 174 E HA -0.109 4.241 4.350 -0.001 0.000 0.192 174 E C 2.211 178.761 176.600 -0.084 0.000 0.986 174 E CA 0.787 57.161 56.400 -0.043 0.000 0.849 174 E CB 0.118 29.813 29.700 -0.008 0.000 0.797 174 E HN 0.403 nan 8.360 nan 0.000 0.482 175 K N 0.587 120.903 120.400 -0.141 0.000 2.026 175 K HA -0.040 4.279 4.320 -0.001 0.000 0.208 175 K C 2.212 178.567 176.600 -0.408 0.000 1.048 175 K CA 1.221 57.398 56.287 -0.184 0.000 0.929 175 K CB -0.582 31.832 32.500 -0.144 0.000 0.713 175 K HN 0.314 nan 8.250 nan 0.000 0.439 176 I N 0.607 120.785 120.570 -0.653 0.000 2.208 176 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 176 I C 2.422 178.184 176.117 -0.591 0.000 1.097 176 I CA 1.473 62.092 61.300 -1.135 0.000 1.363 176 I CB -0.307 37.131 38.000 -0.936 0.000 1.051 176 I HN 0.189 nan 8.210 nan 0.000 0.413 177 S N 0.543 116.093 115.700 -0.249 0.000 2.383 177 S HA -0.105 4.365 4.470 -0.001 0.000 0.227 177 S C 2.207 176.836 174.600 0.048 0.000 1.026 177 S CA 1.211 59.366 58.200 -0.076 0.000 0.981 177 S CB -0.262 62.961 63.200 0.037 0.000 0.818 177 S HN 0.544 nan 8.310 nan 0.000 0.472 178 A N 1.474 124.321 122.820 0.045 0.000 1.930 178 A HA 0.147 4.466 4.320 -0.001 0.000 0.217 178 A C 2.294 179.943 177.584 0.109 0.000 1.175 178 A CA 1.550 53.676 52.037 0.148 0.000 0.627 178 A CB -1.319 17.720 19.000 0.065 0.000 0.815 178 A HN 0.501 nan 8.150 nan 0.000 0.443 179 G N -1.227 107.549 108.800 -0.041 0.000 2.459 179 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.217 179 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.217 179 G C 1.403 176.336 174.900 0.054 0.000 1.183 179 G CA 1.246 46.379 45.100 0.055 0.000 0.776 179 G HN 0.517 nan 8.290 nan 0.000 0.552 180 Y N -0.368 119.966 120.300 0.058 0.000 2.421 180 Y HA 0.121 4.670 4.550 -0.001 0.000 0.292 180 Y C 2.364 178.212 175.900 -0.087 0.000 1.136 180 Y CA 0.122 58.205 58.100 -0.029 0.000 1.255 180 Y CB -0.371 37.984 38.460 -0.176 0.000 0.991 180 Y HN 0.156 nan 8.280 nan 0.000 0.552 181 F N -0.187 119.858 119.950 0.160 0.000 2.234 181 F HA -0.064 4.462 4.527 -0.001 0.000 0.296 181 F C 2.564 178.436 175.800 0.120 0.000 1.089 181 F CA 1.091 59.169 58.000 0.129 0.000 1.343 181 F CB -0.571 38.499 39.000 0.117 0.000 1.040 181 F HN -0.073 nan 8.300 nan 0.000 0.498 182 R N 0.499 121.171 120.500 0.287 0.000 2.083 182 R HA -0.148 4.191 4.340 -0.001 0.000 0.237 182 R C 2.063 178.456 176.300 0.155 0.000 1.137 182 R CA 1.898 58.106 56.100 0.180 0.000 0.951 182 R CB -0.803 29.564 30.300 0.112 0.000 0.851 182 R HN 0.160 nan 8.270 nan 0.000 0.434 183 V N 1.663 121.670 119.914 0.155 0.000 2.282 183 V HA -0.298 3.821 4.120 -0.001 0.000 0.249 183 V C 2.464 178.652 176.094 0.155 0.000 1.057 183 V CA 2.215 64.596 62.300 0.135 0.000 1.032 183 V CB -0.391 31.552 31.823 0.201 0.000 0.645 183 V HN 0.359 nan 8.190 nan 0.000 0.447 184 I N -0.868 119.790 120.570 0.147 0.000 2.315 184 I HA -0.213 3.956 4.170 -0.001 0.000 0.248 184 I C 2.726 178.986 176.117 0.237 0.000 1.117 184 I CA 1.452 62.809 61.300 0.095 0.000 1.404 184 I CB -0.383 37.582 38.000 -0.059 0.000 1.071 184 I HN 0.214 nan 8.210 nan 0.000 0.419 185 R N 0.413 121.061 120.500 0.247 0.000 2.075 185 R HA -0.112 4.227 4.340 -0.001 0.000 0.232 185 R C 2.095 178.558 176.300 0.273 0.000 1.126 185 R CA 1.239 57.497 56.100 0.263 0.000 0.963 185 R CB -0.466 29.963 30.300 0.216 0.000 0.858 185 R HN 0.375 nan 8.270 nan 0.000 0.435 186 N N 0.526 119.379 118.700 0.255 0.000 2.104 186 N HA -0.214 4.526 4.740 -0.001 0.000 0.190 186 N C 1.565 177.313 175.510 0.396 0.000 1.024 186 N CA 1.240 54.487 53.050 0.330 0.000 0.853 186 N CB -0.405 38.229 38.487 0.246 0.000 1.008 186 N HN 0.276 nan 8.380 nan 0.000 0.424 187 Y N 0.330 120.759 120.300 0.215 0.000 2.200 187 Y HA -0.212 4.338 4.550 -0.001 0.000 0.290 187 Y C 1.921 178.021 175.900 0.332 0.000 1.137 187 Y CA 1.434 59.691 58.100 0.261 0.000 1.163 187 Y CB -0.534 37.998 38.460 0.120 0.000 0.988 187 Y HN 0.016 nan 8.280 nan 0.000 0.518 188 Y N 0.129 120.673 120.300 0.407 0.000 2.224 188 Y HA -0.213 4.337 4.550 -0.001 0.000 0.289 188 Y C 2.617 178.751 175.900 0.390 0.000 1.146 188 Y CA 1.946 60.271 58.100 0.375 0.000 1.182 188 Y CB -0.310 38.256 38.460 0.177 0.000 0.983 188 Y HN 0.029 nan 8.280 nan 0.000 0.524 189 R N -1.563 119.046 120.500 0.182 0.000 2.073 189 R HA -0.066 4.273 4.340 -0.001 0.000 0.229 189 R C 0.797 176.807 176.300 -0.483 0.000 1.120 189 R CA 1.590 57.497 56.100 -0.322 0.000 0.967 189 R CB -0.152 29.578 30.300 -0.950 0.000 0.862 189 R HN 0.273 nan 8.270 nan 0.000 0.436 190 F N -2.579 117.453 119.950 0.135 0.000 2.746 190 F HA 0.340 4.866 4.527 -0.001 0.000 0.320 190 F C 1.777 177.037 175.800 -0.899 0.000 1.097 190 F CA -0.287 57.503 58.000 -0.350 0.000 1.195 190 F CB 0.178 39.152 39.000 -0.042 0.000 1.056 190 F HN -0.028 nan 8.300 nan 0.000 0.562 191 G N 1.100 109.625 108.800 -0.459 0.000 2.559 191 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.216 191 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.216 191 G C 1.266 175.395 174.900 -1.285 0.000 1.126 191 G CA 0.390 45.026 45.100 -0.773 0.000 0.778 191 G HN 0.617 nan 8.290 nan 0.000 0.543 192 W N 0.114 120.485 121.300 -1.548 0.000 2.632 192 W HA 0.022 4.681 4.660 -0.001 0.000 0.248 192 W C 1.388 177.522 176.519 -0.641 0.000 1.259 192 W CA 0.303 56.752 57.345 -1.493 0.000 1.288 192 W CB -0.962 27.750 29.460 -1.246 0.000 1.136 192 W HN 0.083 nan 8.180 nan 0.000 0.640 193 V N 2.093 121.426 119.914 -0.968 0.000 2.626 193 V HA -0.252 3.867 4.120 -0.001 0.000 0.252 193 V C 2.157 178.037 176.094 -0.357 0.000 1.067 193 V CA 1.595 63.541 62.300 -0.590 0.000 1.081 193 V CB -0.277 31.021 31.823 -0.874 0.000 0.686 193 V HN 0.107 nan 8.190 nan 0.000 0.468 194 I N 1.279 121.630 120.570 -0.364 0.000 2.113 194 I HA -0.101 4.068 4.170 -0.001 0.000 0.238 194 I C -0.018 176.062 176.117 -0.062 0.000 1.070 194 I CA 1.934 63.164 61.300 -0.116 0.000 1.332 194 I CB -1.437 36.626 38.000 0.105 0.000 1.044 194 I HN 0.340 nan 8.210 nan 0.000 0.402 195 P HA -0.220 nan 4.420 nan 0.000 0.222 195 P C 1.474 178.765 177.300 -0.015 0.000 1.147 195 P CA 1.532 64.677 63.100 0.074 0.000 0.790 195 P CB -0.192 31.614 31.700 0.177 0.000 0.780 196 Y N 1.246 121.460 120.300 -0.143 0.000 2.114 196 Y HA -0.169 4.381 4.550 -0.001 0.000 0.284 196 Y C 2.348 178.003 175.900 -0.409 0.000 1.143 196 Y CA 1.634 59.619 58.100 -0.192 0.000 1.135 196 Y CB -1.051 37.343 38.460 -0.111 0.000 0.980 196 Y HN -0.239 nan 8.280 nan 0.000 0.499 197 L N -1.926 118.889 121.223 -0.680 0.000 2.095 197 L HA -0.110 4.230 4.340 -0.001 0.000 0.204 197 L C 1.151 177.265 176.870 -1.260 0.000 1.080 197 L CA 0.993 55.089 54.840 -1.240 0.000 0.759 197 L CB -0.263 40.663 42.059 -1.887 0.000 0.914 197 L HN 0.168 nan 8.230 nan 0.000 0.439 198 F N -0.892 118.750 119.950 -0.513 0.000 2.746 198 F HA 0.334 4.861 4.527 -0.001 0.000 0.320 198 F C 1.468 177.216 175.800 -0.087 0.000 1.097 198 F CA -1.015 56.643 58.000 -0.570 0.000 1.195 198 F CB -0.712 37.991 39.000 -0.496 0.000 1.056 198 F HN -0.171 nan 8.300 nan 0.000 0.562 199 G N 0.894 109.734 108.800 0.066 0.000 2.321 199 G HA2 0.330 4.289 3.960 -0.001 0.000 0.237 199 G HA3 0.330 4.289 3.960 -0.001 0.000 0.237 199 G C 0.292 175.302 174.900 0.184 0.000 1.282 199 G CA 0.454 45.631 45.100 0.130 0.000 0.886 199 G HN 0.404 nan 8.290 nan 0.000 0.528 200 A N 1.434 124.353 122.820 0.166 0.000 3.106 200 A HA 0.572 4.891 4.320 -0.001 0.000 0.227 200 A C 0.489 178.096 177.584 0.037 0.000 0.920 200 A CA 0.270 52.376 52.037 0.115 0.000 1.088 200 A CB 0.147 19.203 19.000 0.093 0.000 1.233 200 A HN 1.591 nan 8.150 nan 0.000 0.503 201 S N -0.428 115.308 115.700 0.061 0.000 2.512 201 S HA 0.361 4.830 4.470 -0.001 0.000 0.161 201 S C -2.348 172.300 174.600 0.080 0.000 1.383 201 S CA -0.592 57.636 58.200 0.048 0.000 1.248 201 S CB 0.924 64.147 63.200 0.038 0.000 1.488 201 S HN 0.188 nan 8.310 nan 0.000 0.382 202 P HA 0.332 nan 4.420 nan 0.000 0.245 202 P C 0.407 177.826 177.300 0.198 0.000 1.206 202 P CA 0.325 63.505 63.100 0.134 0.000 0.781 202 P CB 0.209 31.974 31.700 0.109 0.000 0.994 203 A N -0.126 122.785 122.820 0.152 0.000 2.384 203 A HA 0.785 5.105 4.320 -0.001 0.000 0.312 203 A C -1.024 176.629 177.584 0.115 0.000 1.113 203 A CA -0.881 51.273 52.037 0.195 0.000 0.779 203 A CB 1.255 20.341 19.000 0.143 0.000 1.307 203 A HN 0.075 nan 8.150 nan 0.000 0.436 204 I N 0.556 121.194 120.570 0.113 0.000 2.656 204 I HA 0.410 4.580 4.170 -0.001 0.000 0.292 204 I C 0.335 176.504 176.117 0.086 0.000 1.144 204 I CA -0.329 60.976 61.300 0.007 0.000 1.038 204 I CB 2.266 40.230 38.000 -0.060 0.000 1.244 204 I HN 0.858 nan 8.210 nan 0.000 0.420 205 S N 3.508 119.284 115.700 0.127 0.000 2.603 205 S HA 0.128 4.597 4.470 -0.001 0.000 0.268 205 S C 1.248 175.985 174.600 0.229 0.000 1.317 205 S CA 0.240 58.552 58.200 0.187 0.000 1.012 205 S CB 1.521 64.817 63.200 0.159 0.000 0.926 205 S HN 0.778 nan 8.310 nan 0.000 0.539 206 S N 1.815 117.646 115.700 0.217 0.000 2.474 206 S HA -0.082 4.387 4.470 -0.001 0.000 0.235 206 S C 1.747 176.369 174.600 0.037 0.000 0.997 206 S CA 1.016 59.310 58.200 0.157 0.000 0.949 206 S CB -0.964 62.411 63.200 0.291 0.000 0.766 206 S HN 0.667 nan 8.310 nan 0.000 0.517 207 S N 1.389 117.117 115.700 0.046 0.000 2.400 207 S HA 0.025 4.495 4.470 -0.001 0.000 0.232 207 S C 0.854 175.327 174.600 -0.210 0.000 1.025 207 S CA 1.198 59.331 58.200 -0.113 0.000 0.993 207 S CB -0.539 62.529 63.200 -0.220 0.000 0.808 207 S HN 0.682 nan 8.310 nan 0.000 0.478 208 F N 1.204 121.106 119.950 -0.079 0.000 2.804 208 F HA 0.337 4.863 4.527 -0.001 0.000 0.303 208 F C 0.746 176.472 175.800 -0.122 0.000 1.154 208 F CA 0.117 58.070 58.000 -0.079 0.000 1.401 208 F CB -0.357 38.609 39.000 -0.057 0.000 1.106 208 F HN 0.066 nan 8.300 nan 0.000 0.568 216 L N 2.852 124.072 121.223 -0.004 0.000 2.399 216 L HA 0.422 4.762 4.340 -0.001 0.000 0.266 216 L C -1.827 174.932 176.870 -0.186 0.000 1.114 216 L CA -1.850 52.879 54.840 -0.185 0.000 0.804 216 L CB 0.890 42.654 42.059 -0.492 0.000 1.146 216 L HN 0.035 nan 8.230 nan 0.000 0.451 217 P HA 0.022 nan 4.420 nan 0.000 0.238 217 P C -0.427 176.811 177.300 -0.103 0.000 1.714 217 P CA -0.116 62.925 63.100 -0.099 0.000 0.908 217 P CB -0.520 31.131 31.700 -0.082 0.000 1.893 218 F N 1.476 121.422 119.950 -0.006 0.000 2.572 218 F HA 0.015 4.541 4.527 -0.001 0.000 0.370 218 F C 1.524 177.255 175.800 -0.116 0.000 1.103 218 F CA 0.600 58.588 58.000 -0.019 0.000 1.286 218 F CB 0.327 39.410 39.000 0.139 0.000 1.105 218 F HN 0.070 nan 8.300 nan 0.000 0.583 219 E N 2.526 122.643 120.200 -0.137 0.000 2.312 219 E HA 0.346 4.695 4.350 -0.001 0.000 0.259 219 E C -0.664 175.748 176.600 -0.313 0.000 1.122 219 E CA -0.774 55.398 56.400 -0.380 0.000 0.922 219 E CB 1.664 30.807 29.700 -0.929 0.000 1.109 219 E HN 0.451 nan 8.360 nan 0.000 0.442 220 K N 0.496 120.755 120.400 -0.234 0.000 2.565 220 K HA 0.183 4.502 4.320 -0.001 0.000 0.251 220 K C -0.833 175.708 176.600 -0.098 0.000 0.956 220 K CA -0.384 55.733 56.287 -0.283 0.000 0.809 220 K CB 1.248 33.429 32.500 -0.531 0.000 1.267 220 K HN 0.600 nan 8.250 nan 0.000 0.438 221 T N 0.487 115.033 114.554 -0.013 0.000 2.868 221 T HA 0.235 4.584 4.350 -0.001 0.000 0.292 221 T C 1.553 176.231 174.700 -0.037 0.000 1.028 221 T CA 0.375 62.490 62.100 0.025 0.000 1.059 221 T CB 1.405 70.302 68.868 0.048 0.000 0.991 221 T HN 0.711 nan 8.240 nan 0.000 0.531 222 E N 1.063 121.254 120.200 -0.016 0.000 2.171 222 E HA -0.122 4.228 4.350 -0.001 0.000 0.197 222 E C 2.614 179.201 176.600 -0.022 0.000 0.997 222 E CA 2.266 58.654 56.400 -0.020 0.000 0.810 222 E CB -1.615 28.081 29.700 -0.006 0.000 0.738 222 E HN 1.062 nan 8.360 nan 0.000 0.467 223 S N -0.999 114.692 115.700 -0.016 0.000 2.474 223 S HA 0.346 4.815 4.470 -0.001 0.000 0.235 223 S C 2.153 176.738 174.600 -0.025 0.000 0.997 223 S CA 1.454 59.649 58.200 -0.009 0.000 0.949 223 S CB -0.207 62.995 63.200 0.004 0.000 0.766 223 S HN 1.743 nan 8.310 nan 0.000 0.517 224 G N -0.345 108.414 108.800 -0.068 0.000 2.148 224 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.203 224 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.203 224 G C 0.067 174.889 174.900 -0.129 0.000 0.993 224 G CA 0.181 45.213 45.100 -0.113 0.000 0.661 224 G HN 0.606 nan 8.290 nan 0.000 0.518 225 M N 0.944 120.491 119.600 -0.087 0.000 2.180 225 M HA 0.657 5.136 4.480 -0.001 0.000 0.358 225 M C -0.244 176.028 176.300 -0.047 0.000 1.233 225 M CA -0.649 54.650 55.300 -0.001 0.000 1.114 225 M CB 0.502 33.132 32.600 0.050 0.000 1.594 225 M HN 0.115 nan 8.290 nan 0.000 0.467 226 Y N 4.406 124.718 120.300 0.019 0.000 2.352 226 Y HA 0.500 5.049 4.550 -0.001 0.000 0.326 226 Y C -0.578 175.435 175.900 0.188 0.000 1.166 226 Y CA -0.018 58.058 58.100 -0.041 0.000 1.182 226 Y CB 0.973 39.169 38.460 -0.439 0.000 1.216 226 Y HN 0.614 nan 8.280 nan 0.000 0.474 227 Y N -0.711 119.779 120.300 0.316 0.000 2.624 227 Y HA 0.702 5.251 4.550 -0.001 0.000 0.334 227 Y C -2.345 173.782 175.900 0.379 0.000 1.155 227 Y CA -1.889 56.405 58.100 0.323 0.000 1.046 227 Y CB 0.796 39.340 38.460 0.140 0.000 1.316 227 Y HN 0.417 nan 8.280 nan 0.000 0.457 228 L N 3.930 125.353 121.223 0.333 0.000 2.307 228 L HA 0.483 4.822 4.340 -0.001 0.000 0.284 228 L C -1.547 175.421 176.870 0.163 0.000 1.023 228 L CA -2.087 52.794 54.840 0.069 0.000 0.810 228 L CB 2.245 44.282 42.059 -0.036 0.000 1.231 228 L HN 0.562 nan 8.230 nan 0.000 0.423 229 P HA -0.173 nan 4.420 nan 0.000 0.220 229 P C 0.377 177.490 177.300 -0.311 0.000 1.148 229 P CA 1.500 64.522 63.100 -0.131 0.000 0.803 229 P CB 0.106 31.508 31.700 -0.497 0.000 0.782 230 Y N -0.926 119.435 120.300 0.101 0.000 2.636 230 Y HA 0.526 5.076 4.550 -0.001 0.000 0.260 230 Y C 1.305 177.242 175.900 0.061 0.000 1.177 230 Y CA -1.022 57.118 58.100 0.067 0.000 1.209 230 Y CB -0.457 38.031 38.460 0.046 0.000 1.166 230 Y HN -0.083 nan 8.280 nan 0.000 0.531 231 A N 0.229 123.153 122.820 0.173 0.000 2.304 231 A HA 0.514 4.834 4.320 -0.001 0.000 0.271 231 A C 1.263 178.918 177.584 0.117 0.000 1.091 231 A CA 0.500 52.622 52.037 0.141 0.000 0.812 231 A CB 0.464 19.545 19.000 0.135 0.000 1.056 231 A HN 0.373 nan 8.150 nan 0.000 0.489 232 T N -2.720 111.899 114.554 0.108 0.000 3.182 232 T HA 0.306 4.655 4.350 -0.001 0.000 0.244 232 T C 0.649 175.411 174.700 0.103 0.000 0.981 232 T CA 0.779 62.927 62.100 0.079 0.000 1.182 232 T CB -0.090 68.812 68.868 0.057 0.000 1.043 232 T HN 1.032 nan 8.240 nan 0.000 0.424 233 S N 0.336 116.113 115.700 0.128 0.000 2.496 233 S HA 0.502 4.971 4.470 -0.001 0.000 0.221 233 S C 0.385 175.069 174.600 0.140 0.000 1.260 233 S CA -0.722 57.560 58.200 0.137 0.000 1.181 233 S CB 0.072 63.371 63.200 0.164 0.000 1.136 233 S HN 0.420 nan 8.310 nan 0.000 0.467 234 L N 3.450 124.744 121.223 0.119 0.000 2.376 234 L HA 0.104 4.444 4.340 -0.001 0.000 0.219 234 L C 2.637 179.556 176.870 0.082 0.000 1.133 234 L CA 0.548 55.457 54.840 0.115 0.000 0.816 234 L CB -0.272 41.862 42.059 0.126 0.000 0.933 234 L HN 0.621 nan 8.230 nan 0.000 0.449 235 R N 1.171 121.713 120.500 0.071 0.000 2.117 235 R HA -0.177 4.162 4.340 -0.001 0.000 0.243 235 R C 1.860 178.235 176.300 0.126 0.000 1.143 235 R CA 1.495 57.639 56.100 0.074 0.000 0.968 235 R CB -0.171 30.176 30.300 0.079 0.000 0.863 235 R HN 0.370 nan 8.270 nan 0.000 0.444 236 L N 1.248 122.565 121.223 0.155 0.000 2.591 236 L HA 0.104 4.444 4.340 -0.001 0.000 0.228 236 L C 1.084 178.051 176.870 0.160 0.000 1.133 236 L CA -0.113 54.834 54.840 0.180 0.000 0.880 236 L CB -0.035 42.172 42.059 0.247 0.000 1.033 236 L HN 0.237 nan 8.230 nan 0.000 0.450 237 S N -1.615 114.170 115.700 0.141 0.000 2.652 237 S HA 0.084 4.553 4.470 -0.001 0.000 0.267 237 S C 0.827 175.493 174.600 0.110 0.000 1.201 237 S CA -0.549 57.729 58.200 0.129 0.000 0.996 237 S CB 0.924 64.200 63.200 0.128 0.000 1.054 237 S HN 0.040 nan 8.310 nan 0.000 0.561 238 D N 0.375 120.837 120.400 0.104 0.000 2.218 238 D HA -0.004 4.636 4.640 -0.001 0.000 0.204 238 D C 1.596 177.953 176.300 0.095 0.000 0.976 238 D CA 0.971 55.026 54.000 0.091 0.000 0.853 238 D CB -0.461 40.392 40.800 0.088 0.000 0.939 238 D HN 0.488 nan 8.370 nan 0.000 0.481 239 L N -0.424 120.868 121.223 0.114 0.000 2.552 239 L HA 0.163 4.502 4.340 -0.001 0.000 0.227 239 L C 1.687 178.621 176.870 0.107 0.000 1.146 239 L CA 0.118 55.033 54.840 0.126 0.000 0.858 239 L CB -0.233 41.914 42.059 0.147 0.000 0.969 239 L HN -0.026 nan 8.230 nan 0.000 0.451 240 G N -1.737 107.111 108.800 0.080 0.000 2.945 240 G HA2 0.001 3.961 3.960 -0.001 0.000 0.156 240 G HA3 0.001 3.961 3.960 -0.001 0.000 0.156 240 G C -0.962 173.987 174.900 0.081 0.000 1.375 240 G CA -0.382 44.756 45.100 0.064 0.000 1.039 240 G HN -0.007 nan 8.290 nan 0.000 0.586 241 Y N 2.360 122.644 120.300 -0.026 0.000 2.623 241 Y HA 0.417 4.967 4.550 -0.001 0.000 0.341 241 Y C 0.553 176.402 175.900 -0.085 0.000 1.292 241 Y CA -0.074 57.966 58.100 -0.099 0.000 1.840 241 Y CB -0.617 37.760 38.460 -0.139 0.000 1.865 241 Y HN 0.489 nan 8.280 nan 0.000 0.440 242 T N -1.391 113.076 114.554 -0.145 0.000 2.864 242 T HA 0.529 4.879 4.350 -0.001 0.000 0.299 242 T C -0.596 174.071 174.700 -0.055 0.000 1.166 242 T CA -1.017 61.077 62.100 -0.011 0.000 1.007 242 T CB 1.663 70.564 68.868 0.056 0.000 1.219 242 T HN 0.173 nan 8.240 nan 0.000 0.506 248 N N 1.759 120.481 118.700 0.037 0.000 2.635 248 N HA 0.323 5.062 4.740 -0.001 0.000 0.191 248 N C 1.614 177.128 175.510 0.007 0.000 1.155 248 N CA 1.283 54.345 53.050 0.021 0.000 0.927 248 N CB -0.759 37.740 38.487 0.019 0.000 0.976 248 N HN 0.624 nan 8.380 nan 0.000 0.448 249 L N -1.140 120.086 121.223 0.006 0.000 2.477 249 L HA 0.263 4.602 4.340 -0.001 0.000 0.220 249 L C 1.776 178.625 176.870 -0.036 0.000 1.106 249 L CA 0.489 55.320 54.840 -0.015 0.000 0.851 249 L CB 0.030 42.079 42.059 -0.016 0.000 0.994 249 L HN 0.445 nan 8.230 nan 0.000 0.462 250 G N 1.840 110.620 108.800 -0.032 0.000 2.350 250 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.298 250 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.298 250 G C 0.003 174.844 174.900 -0.098 0.000 1.037 250 G CA 0.018 45.087 45.100 -0.052 0.000 1.074 250 G HN 0.271 nan 8.290 nan 0.000 0.511 251 I N 0.843 121.335 120.570 -0.130 0.000 2.440 251 I HA 0.534 4.704 4.170 -0.001 0.000 0.294 251 I C 1.143 177.032 176.117 -0.381 0.000 0.995 251 I CA 0.089 61.248 61.300 -0.236 0.000 1.306 251 I CB 1.548 39.409 38.000 -0.232 0.000 1.407 251 I HN 0.415 nan 8.210 nan 0.000 0.501 252 T N 1.302 115.579 114.554 -0.463 0.000 2.858 252 T HA 0.555 4.905 4.350 -0.001 0.000 0.285 252 T C -0.412 173.837 174.700 -0.752 0.000 1.052 252 T CA -0.487 61.317 62.100 -0.494 0.000 1.009 252 T CB 1.588 70.330 68.868 -0.210 0.000 1.241 252 T HN 0.269 nan 8.240 nan 0.000 0.542 253 F N 0.672 120.564 119.950 -0.097 0.000 2.790 253 F HA 0.432 4.958 4.527 -0.001 0.000 0.371 253 F C 1.292 176.777 175.800 -0.525 0.000 1.293 253 F CA -0.977 56.880 58.000 -0.238 0.000 1.205 253 F CB 0.051 39.132 39.000 0.135 0.000 1.047 253 F HN 0.432 nan 8.300 nan 0.000 0.510 254 N N 0.249 118.704 118.700 -0.409 0.000 2.432 254 N HA 0.023 4.762 4.740 -0.001 0.000 0.174 254 N C -0.163 175.089 175.510 -0.429 0.000 1.037 254 N CA 0.624 53.490 53.050 -0.306 0.000 0.892 254 N CB 0.623 39.023 38.487 -0.144 0.000 1.049 254 N HN 0.375 nan 8.380 nan 0.000 0.442 255 D N -0.888 119.168 120.400 -0.574 0.000 2.837 255 D HA 0.141 4.780 4.640 -0.001 0.000 0.220 255 D C 0.443 176.642 176.300 -0.169 0.000 1.236 255 D CA -0.599 53.238 54.000 -0.272 0.000 0.838 255 D CB 1.399 42.143 40.800 -0.093 0.000 1.647 255 D HN -0.243 nan 8.370 nan 0.000 0.486 256 L N 3.614 124.951 121.223 0.190 0.000 2.042 256 L HA -0.054 4.286 4.340 -0.001 0.000 0.210 256 L C 1.178 178.221 176.870 0.288 0.000 1.076 256 L CA 1.835 56.928 54.840 0.422 0.000 0.749 256 L CB -0.643 41.655 42.059 0.398 0.000 0.893 256 L HN 0.675 nan 8.230 nan 0.000 0.432 257 Y N -0.035 120.318 120.300 0.088 0.000 2.286 257 Y HA -0.131 4.419 4.550 -0.001 0.000 0.293 257 Y C 2.577 178.484 175.900 0.012 0.000 1.124 257 Y CA 1.559 59.688 58.100 0.048 0.000 1.178 257 Y CB -0.120 38.350 38.460 0.016 0.000 1.010 257 Y HN 0.307 nan 8.280 nan 0.000 0.536 258 E N -1.056 119.220 120.200 0.127 0.000 2.051 258 E HA -0.289 4.060 4.350 -0.001 0.000 0.192 258 E C 1.838 178.425 176.600 -0.022 0.000 0.991 258 E CA 1.502 57.911 56.400 0.016 0.000 0.799 258 E CB -0.400 29.273 29.700 -0.044 0.000 0.748 258 E HN 0.525 nan 8.360 nan 0.000 0.449 259 Y N 0.979 121.212 120.300 -0.112 0.000 2.097 259 Y HA -0.283 4.266 4.550 -0.001 0.000 0.282 259 Y C 2.109 177.976 175.900 -0.054 0.000 1.152 259 Y CA 1.512 59.551 58.100 -0.103 0.000 1.136 259 Y CB -0.451 38.045 38.460 0.060 0.000 0.975 259 Y HN -0.161 nan 8.280 nan 0.000 0.498 260 V N 0.576 120.443 119.914 -0.078 0.000 2.407 260 V HA -0.309 3.810 4.120 -0.001 0.000 0.248 260 V C 2.680 178.645 176.094 -0.214 0.000 1.055 260 V CA 1.698 63.879 62.300 -0.198 0.000 1.049 260 V CB -1.607 30.140 31.823 -0.126 0.000 0.662 260 V HN 0.599 nan 8.190 nan 0.000 0.455 261 A N 0.654 123.387 122.820 -0.145 0.000 1.877 261 A HA -0.108 4.211 4.320 -0.001 0.000 0.216 261 A C 2.452 179.951 177.584 -0.142 0.000 1.186 261 A CA 1.966 53.938 52.037 -0.109 0.000 0.620 261 A CB -1.290 17.685 19.000 -0.042 0.000 0.822 261 A HN 0.521 nan 8.150 nan 0.000 0.443 262 G N -0.370 108.319 108.800 -0.187 0.000 2.442 262 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.219 262 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.219 262 G C 1.476 176.243 174.900 -0.222 0.000 1.141 262 G CA 1.330 46.311 45.100 -0.199 0.000 0.763 262 G HN 0.457 nan 8.290 nan 0.000 0.554 263 L N 0.454 121.484 121.223 -0.323 0.000 2.044 263 L HA 0.190 4.529 4.340 -0.001 0.000 0.205 263 L C 2.693 179.464 176.870 -0.166 0.000 1.075 263 L CA 1.759 56.426 54.840 -0.289 0.000 0.747 263 L CB -0.580 41.217 42.059 -0.436 0.000 0.903 263 L HN 0.118 nan 8.230 nan 0.000 0.435 264 K N -1.001 119.309 120.400 -0.151 0.000 2.057 264 K HA -0.218 4.102 4.320 -0.001 0.000 0.207 264 K C 2.128 178.682 176.600 -0.076 0.000 1.049 264 K CA 1.319 57.546 56.287 -0.099 0.000 0.931 264 K CB -0.176 32.268 32.500 -0.094 0.000 0.714 264 K HN 0.239 nan 8.250 nan 0.000 0.440 265 Q N 1.079 120.830 119.800 -0.081 0.000 2.096 265 Q HA -0.135 4.205 4.340 -0.001 0.000 0.204 265 Q C 1.871 177.842 176.000 -0.048 0.000 0.982 265 Q CA 2.046 57.813 55.803 -0.060 0.000 0.850 265 Q CB -0.419 28.282 28.738 -0.061 0.000 0.901 265 Q HN 0.327 nan 8.270 nan 0.000 0.422 266 A N 0.046 122.831 122.820 -0.058 0.000 1.978 266 A HA -0.139 4.180 4.320 -0.001 0.000 0.220 266 A C 1.997 179.577 177.584 -0.008 0.000 1.170 266 A CA 1.414 53.431 52.037 -0.034 0.000 0.636 266 A CB -0.690 18.283 19.000 -0.045 0.000 0.810 266 A HN 0.481 nan 8.150 nan 0.000 0.448 267 I N -1.346 119.214 120.570 -0.017 0.000 3.001 267 I HA -0.134 4.035 4.170 -0.001 0.000 0.268 267 I C 1.594 177.717 176.117 0.009 0.000 1.267 267 I CA 1.168 62.470 61.300 0.003 0.000 1.472 267 I CB -0.216 37.779 38.000 -0.007 0.000 1.089 267 I HN 0.355 nan 8.210 nan 0.000 0.468 268 K N -0.256 120.143 120.400 -0.002 0.000 2.380 268 K HA 0.136 4.456 4.320 -0.001 0.000 0.198 268 K C 0.382 176.984 176.600 0.004 0.000 1.070 268 K CA 0.064 56.350 56.287 -0.001 0.000 1.040 268 K CB 0.585 33.076 32.500 -0.015 0.000 0.903 268 K HN 0.061 nan 8.250 nan 0.000 0.549 269 T N 4.379 118.936 114.554 0.005 0.000 2.779 269 T HA 0.170 4.520 4.350 -0.001 0.000 0.296 269 T C -2.528 172.184 174.700 0.020 0.000 0.938 269 T CA -1.325 60.778 62.100 0.005 0.000 1.119 269 T CB 0.995 69.862 68.868 -0.002 0.000 0.891 269 T HN -0.074 nan 8.240 nan 0.000 0.526 270 P HA 0.362 nan 4.420 nan 0.000 0.276 270 P C -0.791 176.511 177.300 0.004 0.000 1.252 270 P CA -0.723 62.390 63.100 0.022 0.000 0.802 270 P CB 0.710 32.418 31.700 0.013 0.000 1.035 271 S N -0.392 115.309 115.700 0.002 0.000 2.605 271 S HA 0.191 4.660 4.470 -0.001 0.000 0.308 271 S C 1.093 175.633 174.600 -0.099 0.000 1.113 271 S CA -0.420 57.726 58.200 -0.090 0.000 1.049 271 S CB 0.902 63.986 63.200 -0.195 0.000 1.001 271 S HN 0.262 nan 8.310 nan 0.000 0.480 272 E N 3.232 123.370 120.200 -0.103 0.000 2.049 272 E HA -0.216 4.133 4.350 -0.001 0.000 0.198 272 E C 1.625 178.163 176.600 -0.104 0.000 1.007 272 E CA 2.311 58.664 56.400 -0.079 0.000 0.809 272 E CB -0.701 28.957 29.700 -0.070 0.000 0.749 272 E HN 0.905 nan 8.360 nan 0.000 0.450 273 E N -1.591 118.486 120.200 -0.205 0.000 2.049 273 E HA -0.227 4.122 4.350 -0.001 0.000 0.198 273 E C 2.109 178.638 176.600 -0.117 0.000 1.007 273 E CA 1.883 58.142 56.400 -0.235 0.000 0.809 273 E CB -0.317 29.132 29.700 -0.418 0.000 0.749 273 E HN 0.603 nan 8.360 nan 0.000 0.450 274 Y N -0.269 120.015 120.300 -0.028 0.000 2.373 274 Y HA 0.043 4.593 4.550 -0.001 0.000 0.293 274 Y C 2.180 178.065 175.900 -0.025 0.000 1.129 274 Y CA 0.569 58.645 58.100 -0.040 0.000 1.226 274 Y CB -0.969 37.464 38.460 -0.046 0.000 1.000 274 Y HN 0.129 nan 8.280 nan 0.000 0.549 275 A N 0.328 123.208 122.820 0.100 0.000 1.933 275 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 275 A C 2.387 179.997 177.584 0.044 0.000 1.175 275 A CA 1.883 53.956 52.037 0.059 0.000 0.628 275 A CB -0.662 18.356 19.000 0.029 0.000 0.814 275 A HN 0.282 nan 8.150 nan 0.000 0.444 276 K N -0.290 120.130 120.400 0.033 0.000 2.103 276 K HA -0.088 4.231 4.320 -0.001 0.000 0.207 276 K C 1.847 178.467 176.600 0.034 0.000 1.048 276 K CA 1.395 57.697 56.287 0.025 0.000 0.930 276 K CB -0.925 31.583 32.500 0.013 0.000 0.716 276 K HN 0.704 nan 8.250 nan 0.000 0.444 277 I N -0.411 120.192 120.570 0.055 0.000 2.208 277 I HA -0.090 4.080 4.170 -0.001 0.000 0.245 277 I C 1.384 177.519 176.117 0.029 0.000 1.097 277 I CA 1.302 62.627 61.300 0.041 0.000 1.363 277 I CB -0.709 37.318 38.000 0.044 0.000 1.051 277 I HN 0.548 nan 8.210 nan 0.000 0.413 278 G N 0.076 108.898 108.800 0.037 0.000 2.690 278 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.686 278 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.686 278 G C 0.057 174.975 174.900 0.030 0.000 1.277 278 G CA -0.550 44.568 45.100 0.030 0.000 0.799 278 G HN -0.003 nan 8.290 nan 0.000 0.613 279 I N 0.089 120.678 120.570 0.032 0.000 2.585 279 I HA 0.164 4.334 4.170 -0.001 0.000 0.254 279 I C 1.440 177.581 176.117 0.040 0.000 1.129 279 I CA 1.595 62.918 61.300 0.037 0.000 1.455 279 I CB -0.395 37.629 38.000 0.039 0.000 1.111 279 I HN 0.603 nan 8.210 nan 0.000 0.433 280 E N 0.096 120.316 120.200 0.035 0.000 2.343 280 E HA 0.457 4.806 4.350 -0.001 0.000 0.270 280 E C -1.010 175.606 176.600 0.027 0.000 0.895 280 E CA -0.791 55.631 56.400 0.036 0.000 0.767 280 E CB 3.148 32.870 29.700 0.037 0.000 1.248 280 E HN 0.040 nan 8.360 nan 0.000 0.440 281 K N 1.315 121.730 120.400 0.025 0.000 2.651 281 K HA 0.307 4.626 4.320 -0.001 0.000 0.259 281 K C -0.745 175.866 176.600 0.018 0.000 1.017 281 K CA 0.416 56.714 56.287 0.019 0.000 0.897 281 K CB 0.967 33.476 32.500 0.015 0.000 1.262 281 K HN 0.952 nan 8.250 nan 0.000 0.460 282 D N 2.418 122.828 120.400 0.017 0.000 2.699 282 D HA -0.183 4.456 4.640 -0.001 0.000 0.239 282 D C 1.092 177.404 176.300 0.019 0.000 1.136 282 D CA 2.388 56.398 54.000 0.015 0.000 0.668 282 D CB -1.472 39.335 40.800 0.011 0.000 1.060 282 D HN 2.361 nan 8.370 nan 0.000 0.429 283 G N -1.376 107.438 108.800 0.025 0.000 2.234 283 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.260 283 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.260 283 G C 0.390 175.314 174.900 0.040 0.000 0.987 283 G CA 1.195 46.314 45.100 0.031 0.000 0.625 283 G HN 1.404 nan 8.290 nan 0.000 0.532 284 K N 0.463 120.883 120.400 0.035 0.000 2.234 284 K HA 0.651 4.971 4.320 -0.001 0.000 0.277 284 K C 0.495 177.125 176.600 0.050 0.000 1.038 284 K CA -0.276 56.034 56.287 0.039 0.000 0.888 284 K CB 0.985 33.498 32.500 0.022 0.000 1.091 284 K HN 0.659 nan 8.250 nan 0.000 0.467 285 R N 3.593 124.139 120.500 0.077 0.000 2.489 285 R HA 0.202 4.541 4.340 -0.001 0.000 0.287 285 R C 0.918 177.255 176.300 0.062 0.000 1.053 285 R CA 0.326 56.479 56.100 0.089 0.000 1.036 285 R CB 0.243 30.635 30.300 0.154 0.000 0.966 285 R HN 0.811 nan 8.270 nan 0.000 0.432 286 L N 2.901 124.151 121.223 0.045 0.000 2.388 286 L HA 0.122 4.461 4.340 -0.001 0.000 0.209 286 L C 0.487 177.359 176.870 0.003 0.000 1.061 286 L CA 0.456 55.307 54.840 0.018 0.000 0.834 286 L CB 0.045 42.109 42.059 0.008 0.000 1.029 286 L HN 0.726 nan 8.230 nan 0.000 0.473 287 Q N -2.050 117.761 119.800 0.020 0.000 2.831 287 Q HA 0.348 4.688 4.340 -0.001 0.000 0.322 287 Q C 0.462 176.498 176.000 0.059 0.000 0.923 287 Q CA -0.740 55.069 55.803 0.010 0.000 0.767 287 Q CB 1.917 30.631 28.738 -0.040 0.000 1.469 287 Q HN -0.128 nan 8.270 nan 0.000 0.496 288 I N 0.002 120.612 120.570 0.067 0.000 2.480 288 I HA -0.036 4.133 4.170 -0.001 0.000 0.251 288 I C 0.264 176.444 176.117 0.106 0.000 1.124 288 I CA 1.139 62.509 61.300 0.117 0.000 1.444 288 I CB -0.052 38.020 38.000 0.119 0.000 1.098 288 I HN 0.739 nan 8.210 nan 0.000 0.428 289 N N -1.502 117.243 118.700 0.075 0.000 3.277 289 N HA 0.097 4.836 4.740 -0.001 0.000 0.278 289 N C -0.385 175.161 175.510 0.059 0.000 1.544 289 N CA -0.318 52.772 53.050 0.067 0.000 0.869 289 N CB 0.805 39.334 38.487 0.071 0.000 1.584 289 N HN -0.157 nan 8.380 nan 0.000 0.564 290 S N -1.442 114.302 115.700 0.075 0.000 2.526 290 S HA 0.384 4.853 4.470 -0.001 0.000 0.245 290 S C -0.560 174.132 174.600 0.154 0.000 1.103 290 S CA -0.741 57.530 58.200 0.118 0.000 1.095 290 S CB -1.163 62.099 63.200 0.105 0.000 0.826 290 S HN 0.474 nan 8.310 nan 0.000 0.468 291 N N 0.941 119.719 118.700 0.130 0.000 2.458 291 N HA 0.316 5.056 4.740 -0.001 0.000 0.271 291 N C 1.510 177.147 175.510 0.212 0.000 1.210 291 N CA -0.658 52.470 53.050 0.129 0.000 0.978 291 N CB 0.968 39.501 38.487 0.077 0.000 1.206 291 N HN 0.008 nan 8.380 nan 0.000 0.536 292 V N 0.057 120.073 119.914 0.171 0.000 2.380 292 V HA -0.131 3.988 4.120 -0.001 0.000 0.251 292 V C 0.891 177.117 176.094 0.219 0.000 1.063 292 V CA 1.510 63.943 62.300 0.221 0.000 1.055 292 V CB -0.516 31.370 31.823 0.106 0.000 0.657 292 V HN 0.407 nan 8.190 nan 0.000 0.455 293 L N -0.751 120.547 121.223 0.124 0.000 2.385 293 L HA 0.356 4.695 4.340 -0.001 0.000 0.273 293 L C 0.827 177.746 176.870 0.081 0.000 0.990 293 L CA -0.359 54.535 54.840 0.090 0.000 0.821 293 L CB 2.030 44.117 42.059 0.047 0.000 1.279 293 L HN -0.033 nan 8.230 nan 0.000 0.412 294 Q N 2.733 122.592 119.800 0.098 0.000 2.046 294 Q HA 0.019 4.359 4.340 -0.001 0.000 0.200 294 Q C 0.301 176.344 176.000 0.072 0.000 0.975 294 Q CA 1.440 57.303 55.803 0.100 0.000 0.836 294 Q CB 0.306 29.145 28.738 0.167 0.000 0.896 294 Q HN 0.666 nan 8.270 nan 0.000 0.428 295 I N -4.961 115.625 120.570 0.026 0.000 3.458 295 I HA 0.215 4.384 4.170 -0.001 0.000 0.316 295 I C 0.008 176.109 176.117 -0.026 0.000 1.202 295 I CA -0.941 60.342 61.300 -0.027 0.000 0.929 295 I CB 1.465 39.388 38.000 -0.128 0.000 1.340 295 I HN -0.149 nan 8.210 nan 0.000 0.481 296 E N 0.790 120.975 120.200 -0.025 0.000 2.208 296 E HA -0.088 4.261 4.350 -0.001 0.000 0.193 296 E C 0.932 177.551 176.600 0.033 0.000 0.988 296 E CA 1.126 57.526 56.400 -0.000 0.000 0.828 296 E CB -0.358 29.342 29.700 0.000 0.000 0.763 296 E HN 0.602 nan 8.360 nan 0.000 0.478 297 N N 1.713 120.431 118.700 0.029 0.000 2.443 297 N HA -0.168 4.571 4.740 -0.001 0.000 0.184 297 N C 1.381 177.006 175.510 0.191 0.000 1.037 297 N CA 0.743 53.877 53.050 0.140 0.000 0.896 297 N CB -0.150 38.438 38.487 0.168 0.000 0.959 297 N HN 0.318 nan 8.380 nan 0.000 0.442 298 E N 0.030 120.283 120.200 0.089 0.000 2.482 298 E HA -0.050 4.300 4.350 -0.001 0.000 0.196 298 E C -0.211 176.112 176.600 -0.460 0.000 1.047 298 E CA -0.150 56.184 56.400 -0.109 0.000 0.869 298 E CB 0.061 29.806 29.700 0.075 0.000 0.836 298 E HN 0.131 nan 8.360 nan 0.000 0.520 299 L N 2.447 123.581 121.223 -0.149 0.000 2.385 299 L HA 0.130 4.469 4.340 -0.001 0.000 0.285 299 L C -1.344 175.560 176.870 0.056 0.000 1.125 299 L CA -0.159 54.642 54.840 -0.066 0.000 0.890 299 L CB -0.324 41.762 42.059 0.046 0.000 1.251 299 L HN -0.075 nan 8.230 nan 0.000 0.445 300 Y N 4.284 124.654 120.300 0.117 0.000 2.316 300 Y HA 0.670 5.220 4.550 -0.001 0.000 0.331 300 Y C 0.612 176.598 175.900 0.143 0.000 1.083 300 Y CA -0.562 57.621 58.100 0.138 0.000 1.206 300 Y CB 0.907 39.418 38.460 0.084 0.000 1.195 300 Y HN 0.720 nan 8.280 nan 0.000 0.497 301 A N 4.473 127.488 122.820 0.326 0.000 2.606 301 A HA 0.611 4.930 4.320 -0.001 0.000 0.293 301 A C -2.339 175.308 177.584 0.105 0.000 1.082 301 A CA -1.572 50.599 52.037 0.222 0.000 0.685 301 A CB 1.327 20.495 19.000 0.281 0.000 1.284 301 A HN 0.408 nan 8.150 nan 0.000 0.408 302 P HA 0.032 nan 4.420 nan 0.000 0.218 302 P C 0.249 177.471 177.300 -0.130 0.000 1.149 302 P CA 1.170 64.245 63.100 -0.042 0.000 0.817 302 P CB 0.279 31.842 31.700 -0.227 0.000 0.785 303 I N -2.606 117.820 120.570 -0.240 0.000 3.006 303 I HA 0.509 4.678 4.170 -0.001 0.000 0.306 303 I C -1.280 174.734 176.117 -0.171 0.000 1.250 303 I CA -1.403 59.665 61.300 -0.387 0.000 0.996 303 I CB 2.650 40.147 38.000 -0.838 0.000 1.261 303 I HN -0.390 nan 8.210 nan 0.000 0.442 304 R N 6.595 126.991 120.500 -0.172 0.000 2.535 304 R HA 0.525 4.865 4.340 -0.001 0.000 0.274 304 R C -2.966 173.219 176.300 -0.190 0.000 1.090 304 R CA -1.552 54.505 56.100 -0.073 0.000 0.930 304 R CB 2.608 32.901 30.300 -0.013 0.000 1.223 304 R HN 0.290 nan 8.270 nan 0.000 0.441 305 P HA 0.239 nan 4.420 nan 0.000 0.279 305 P C -1.335 175.738 177.300 -0.379 0.000 1.239 305 P CA -0.282 62.586 63.100 -0.387 0.000 0.789 305 P CB 1.337 32.731 31.700 -0.509 0.000 0.933 306 K N 2.067 122.113 120.400 -0.590 0.000 2.508 306 K HA 0.528 4.847 4.320 -0.001 0.000 0.260 306 K C -0.600 175.641 176.600 -0.599 0.000 0.949 306 K CA -0.787 55.105 56.287 -0.658 0.000 0.834 306 K CB 3.340 35.183 32.500 -1.095 0.000 1.365 306 K HN 0.478 nan 8.250 nan 0.000 0.437 307 R N 1.134 121.449 120.500 -0.307 0.000 2.673 307 R HA 0.317 4.657 4.340 -0.001 0.000 0.281 307 R C -1.067 175.247 176.300 0.024 0.000 0.991 307 R CA -0.625 55.408 56.100 -0.112 0.000 0.896 307 R CB 1.712 31.973 30.300 -0.065 0.000 1.201 307 R HN 0.326 nan 8.270 nan 0.000 0.457 308 V N 3.643 123.640 119.914 0.138 0.000 2.493 308 V HA 0.045 4.164 4.120 -0.001 0.000 0.292 308 V C 0.548 176.681 176.094 0.065 0.000 1.016 308 V CA 0.180 62.557 62.300 0.130 0.000 1.097 308 V CB 0.768 32.663 31.823 0.120 0.000 0.947 308 V HN 0.905 nan 8.190 nan 0.000 0.479 309 T N 4.141 118.728 114.554 0.056 0.000 2.851 309 T HA 0.392 4.741 4.350 -0.001 0.000 0.298 309 T C -0.165 174.556 174.700 0.034 0.000 0.977 309 T CA -0.660 61.462 62.100 0.036 0.000 1.126 309 T CB 0.709 69.599 68.868 0.036 0.000 0.916 309 T HN 0.678 nan 8.240 nan 0.000 0.529 310 R N 2.388 122.903 120.500 0.024 0.000 2.445 310 R HA 0.430 4.769 4.340 -0.001 0.000 0.308 310 R C -0.468 175.842 176.300 0.017 0.000 0.961 310 R CA -0.396 55.716 56.100 0.021 0.000 0.862 310 R CB 0.848 31.158 30.300 0.017 0.000 1.144 310 R HN 0.911 nan 8.270 nan 0.000 0.447 311 S N 2.560 118.271 115.700 0.018 0.000 3.766 311 S HA -0.152 4.317 4.470 -0.001 0.000 0.416 311 S C 0.793 175.405 174.600 0.020 0.000 0.902 311 S CA 0.840 59.050 58.200 0.018 0.000 1.283 311 S CB -1.283 61.923 63.200 0.011 0.000 0.891 311 S HN 1.219 nan 8.310 nan 0.000 0.556 312 G N 0.615 109.434 108.800 0.030 0.000 2.280 312 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.282 312 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.282 312 G C -0.053 174.860 174.900 0.022 0.000 1.000 312 G CA 1.071 46.195 45.100 0.039 0.000 0.751 312 G HN 0.913 nan 8.290 nan 0.000 0.515 313 E N 0.649 120.856 120.200 0.012 0.000 2.415 313 E HA 0.388 4.737 4.350 -0.001 0.000 0.262 313 E C 1.167 177.770 176.600 0.006 0.000 1.038 313 E CA 0.275 56.675 56.400 -0.001 0.000 0.921 313 E CB 0.302 30.003 29.700 0.001 0.000 0.950 313 E HN 0.518 nan 8.360 nan 0.000 0.438 314 S N 3.077 118.773 115.700 -0.006 0.000 2.632 314 S HA 0.238 4.707 4.470 -0.001 0.000 0.271 314 S C -1.968 172.633 174.600 0.002 0.000 1.260 314 S CA -1.249 56.951 58.200 0.001 0.000 1.010 314 S CB 1.435 64.627 63.200 -0.013 0.000 0.965 314 S HN 0.364 nan 8.310 nan 0.000 0.534 315 P HA -0.149 nan 4.420 nan 0.000 0.216 315 P C 1.768 179.074 177.300 0.010 0.000 1.153 315 P CA 1.936 65.046 63.100 0.016 0.000 0.858 315 P CB -0.257 31.462 31.700 0.031 0.000 0.789 316 S N -1.141 114.560 115.700 0.002 0.000 2.383 316 S HA -0.168 4.301 4.470 -0.001 0.000 0.227 316 S C 1.683 176.262 174.600 -0.034 0.000 1.026 316 S CA 1.392 59.586 58.200 -0.011 0.000 0.981 316 S CB -1.423 61.745 63.200 -0.052 0.000 0.818 316 S HN 0.052 nan 8.310 nan 0.000 0.472 317 D N 2.766 123.143 120.400 -0.039 0.000 2.106 317 D HA -0.039 4.601 4.640 -0.001 0.000 0.191 317 D C 2.330 178.609 176.300 -0.034 0.000 0.997 317 D CA 1.642 55.615 54.000 -0.045 0.000 0.834 317 D CB -0.871 39.907 40.800 -0.038 0.000 0.956 317 D HN 0.509 nan 8.370 nan 0.000 0.448 318 A N 0.696 123.504 122.820 -0.020 0.000 1.917 318 A HA -0.193 4.126 4.320 -0.001 0.000 0.219 318 A C 2.434 180.003 177.584 -0.024 0.000 1.182 318 A CA 1.246 53.273 52.037 -0.016 0.000 0.633 318 A CB -0.888 18.107 19.000 -0.009 0.000 0.819 318 A HN 0.250 nan 8.150 nan 0.000 0.448 319 L N -0.939 120.270 121.223 -0.023 0.000 2.046 319 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 319 L C 2.630 179.484 176.870 -0.027 0.000 1.077 319 L CA 1.089 55.916 54.840 -0.021 0.000 0.747 319 L CB -0.488 41.589 42.059 0.029 0.000 0.896 319 L HN 0.395 nan 8.230 nan 0.000 0.432 320 L N -0.402 120.784 121.223 -0.062 0.000 2.093 320 L HA -0.219 4.121 4.340 -0.001 0.000 0.208 320 L C 2.849 179.695 176.870 -0.041 0.000 1.085 320 L CA 1.220 55.992 54.840 -0.113 0.000 0.755 320 L CB -0.445 41.499 42.059 -0.191 0.000 0.904 320 L HN 0.318 nan 8.230 nan 0.000 0.435 321 R N 0.048 120.532 120.500 -0.027 0.000 2.075 321 R HA -0.119 4.220 4.340 -0.001 0.000 0.232 321 R C 1.635 177.938 176.300 0.004 0.000 1.126 321 R CA 1.694 57.791 56.100 -0.006 0.000 0.963 321 R CB -0.191 30.105 30.300 -0.008 0.000 0.858 321 R HN 0.320 nan 8.270 nan 0.000 0.435 322 G N -1.235 107.564 108.800 -0.002 0.000 3.651 322 G HA2 0.411 4.370 3.960 -0.001 0.000 0.267 322 G HA3 0.411 4.370 3.960 -0.001 0.000 0.267 322 G C 0.076 174.970 174.900 -0.010 0.000 1.009 322 G CA 0.112 45.211 45.100 -0.001 0.000 0.866 322 G HN 0.707 nan 8.290 nan 0.000 0.488 323 G N 0.360 109.154 108.800 -0.010 0.000 2.796 323 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.226 323 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.226 323 G C -0.081 174.782 174.900 -0.061 0.000 1.381 323 G CA -0.400 44.688 45.100 -0.019 0.000 0.867 323 G HN 0.634 nan 8.290 nan 0.000 0.552 324 I N 1.139 121.652 120.570 -0.094 0.000 2.517 324 I HA 0.152 4.321 4.170 -0.001 0.000 0.285 324 I C 1.528 177.573 176.117 -0.120 0.000 1.106 324 I CA 0.397 61.589 61.300 -0.181 0.000 1.402 324 I CB 1.258 39.107 38.000 -0.251 0.000 1.399 324 I HN 0.837 nan 8.210 nan 0.000 0.535 325 E N 6.805 126.895 120.200 -0.184 0.000 2.075 325 E HA -0.057 4.292 4.350 -0.001 0.000 0.190 325 E C -0.461 176.069 176.600 -0.117 0.000 0.969 325 E CA 0.652 57.021 56.400 -0.052 0.000 0.815 325 E CB 0.483 30.210 29.700 0.045 0.000 0.776 325 E HN 0.653 nan 8.360 nan 0.000 0.457 326 Y N -1.842 118.203 120.300 -0.425 0.000 2.689 326 Y HA 0.547 5.096 4.550 -0.001 0.000 0.333 326 Y C -0.936 174.626 175.900 -0.564 0.000 1.190 326 Y CA -1.520 56.246 58.100 -0.556 0.000 1.063 326 Y CB 0.791 39.078 38.460 -0.288 0.000 1.294 326 Y HN -0.290 nan 8.280 nan 0.000 0.466 327 I N 1.795 122.217 120.570 -0.246 0.000 2.460 327 I HA 0.339 4.509 4.170 -0.001 0.000 0.298 327 I C -0.555 175.576 176.117 0.024 0.000 0.989 327 I CA -0.849 60.334 61.300 -0.194 0.000 1.173 327 I CB 1.621 39.598 38.000 -0.038 0.000 1.338 327 I HN 0.827 nan 8.210 nan 0.000 0.456 328 E N 5.393 125.544 120.200 -0.082 0.000 2.114 328 E HA 0.390 4.740 4.350 -0.001 0.000 0.266 328 E C -1.496 175.042 176.600 -0.102 0.000 0.896 328 E CA -0.470 55.925 56.400 -0.009 0.000 0.750 328 E CB 1.598 31.281 29.700 -0.028 0.000 1.121 328 E HN 0.311 nan 8.360 nan 0.000 0.413 329 V N 5.981 125.889 119.914 -0.010 0.000 2.385 329 V HA 0.226 4.346 4.120 -0.001 0.000 0.269 329 V C 0.910 177.029 176.094 0.041 0.000 1.043 329 V CA -0.097 62.186 62.300 -0.028 0.000 0.906 329 V CB 1.025 32.969 31.823 0.201 0.000 0.995 329 V HN 0.696 nan 8.190 nan 0.000 0.467 330 R N 2.142 122.618 120.500 -0.040 0.000 2.432 330 R HA 0.078 4.417 4.340 -0.001 0.000 0.260 330 R C 1.460 177.867 176.300 0.179 0.000 0.935 330 R CA 0.521 56.586 56.100 -0.058 0.000 1.080 330 R CB 0.392 30.541 30.300 -0.252 0.000 1.155 330 R HN 0.761 nan 8.270 nan 0.000 0.531 331 S N -0.163 115.700 115.700 0.273 0.000 2.577 331 S HA 0.190 4.659 4.470 -0.001 0.000 0.219 331 S C 0.619 175.401 174.600 0.303 0.000 0.962 331 S CA -0.376 58.018 58.200 0.322 0.000 0.921 331 S CB 0.091 63.579 63.200 0.480 0.000 0.789 331 S HN 0.137 nan 8.310 nan 0.000 0.497 332 L N 2.979 124.370 121.223 0.281 0.000 2.418 332 L HA 0.290 4.630 4.340 -0.001 0.000 0.274 332 L C -0.117 176.863 176.870 0.183 0.000 1.135 332 L CA -0.347 54.632 54.840 0.230 0.000 0.870 332 L CB 0.323 42.502 42.059 0.199 0.000 1.154 332 L HN 0.163 nan 8.230 nan 0.000 0.462 333 D N 2.977 123.482 120.400 0.174 0.000 2.360 333 D HA 0.198 4.837 4.640 -0.001 0.000 0.242 333 D C 0.393 176.757 176.300 0.105 0.000 1.184 333 D CA -0.287 53.791 54.000 0.130 0.000 0.930 333 D CB 0.931 41.813 40.800 0.137 0.000 1.161 333 D HN 0.138 nan 8.370 nan 0.000 0.447 334 I N 1.918 122.519 120.570 0.052 0.000 2.668 334 I HA -0.102 4.067 4.170 -0.001 0.000 0.285 334 I C 0.944 177.043 176.117 -0.029 0.000 1.168 334 I CA 0.047 61.351 61.300 0.007 0.000 1.424 334 I CB -0.705 37.278 38.000 -0.029 0.000 1.377 334 I HN 0.222 nan 8.210 nan 0.000 0.560 335 N N 10.289 128.976 118.700 -0.021 0.000 2.402 335 N HA 0.100 4.839 4.740 -0.001 0.000 0.259 335 N C -1.688 173.591 175.510 -0.385 0.000 1.167 335 N CA -1.735 51.261 53.050 -0.089 0.000 0.949 335 N CB 0.991 39.503 38.487 0.042 0.000 1.212 335 N HN 0.287 nan 8.380 nan 0.000 0.493 336 P HA -0.029 nan 4.420 nan 0.000 0.230 336 P C 0.216 176.896 177.300 -1.033 0.000 1.158 336 P CA 0.903 63.380 63.100 -1.038 0.000 0.769 336 P CB -0.077 30.733 31.700 -1.484 0.000 0.807 337 F N -0.725 118.993 119.950 -0.387 0.000 2.660 337 F HA 0.269 4.795 4.527 -0.001 0.000 0.302 337 F C 1.123 176.874 175.800 -0.081 0.000 1.103 337 F CA -0.154 57.763 58.000 -0.139 0.000 1.340 337 F CB -0.185 38.660 39.000 -0.259 0.000 1.048 337 F HN -0.168 nan 8.300 nan 0.000 0.551 338 S N 0.925 116.545 115.700 -0.133 0.000 2.557 338 S HA 0.382 4.852 4.470 -0.001 0.000 0.291 338 S C -1.827 172.354 174.600 -0.698 0.000 1.116 338 S CA -1.635 56.393 58.200 -0.286 0.000 0.992 338 S CB 1.654 64.739 63.200 -0.193 0.000 1.028 338 S HN -0.182 nan 8.310 nan 0.000 0.484 339 P HA -0.049 nan 4.420 nan 0.000 0.221 339 P C 1.078 177.964 177.300 -0.690 0.000 1.145 339 P CA 1.061 63.398 63.100 -1.271 0.000 0.795 339 P CB -0.333 30.926 31.700 -0.734 0.000 0.775 340 I N -6.288 113.920 120.570 -0.603 0.000 3.941 340 I HA 0.527 4.696 4.170 -0.001 0.000 0.335 340 I C 1.120 177.070 176.117 -0.278 0.000 1.402 340 I CA 0.248 61.116 61.300 -0.720 0.000 1.112 340 I CB -0.485 37.044 38.000 -0.786 0.000 1.043 340 I HN 0.005 nan 8.210 nan 0.000 0.395 341 G N 1.202 109.875 108.800 -0.213 0.000 2.176 341 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.253 341 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.253 341 G C -0.010 174.865 174.900 -0.042 0.000 0.979 341 G CA 0.178 45.228 45.100 -0.084 0.000 0.641 341 G HN 0.703 nan 8.290 nan 0.000 0.530 342 V N 0.786 120.662 119.914 -0.064 0.000 3.098 342 V HA 0.639 4.759 4.120 -0.001 0.000 0.294 342 V C -1.774 174.292 176.094 -0.046 0.000 1.351 342 V CA 0.098 62.382 62.300 -0.028 0.000 0.999 342 V CB 2.304 34.134 31.823 0.012 0.000 1.104 342 V HN 0.799 nan 8.190 nan 0.000 0.438 343 D N 2.063 122.439 120.400 -0.039 0.000 2.531 343 D HA 0.339 4.978 4.640 -0.001 0.000 0.244 343 D C 0.649 176.926 176.300 -0.039 0.000 1.090 343 D CA -0.168 53.813 54.000 -0.032 0.000 0.989 343 D CB 1.522 42.324 40.800 0.003 0.000 1.433 343 D HN 0.562 nan 8.370 nan 0.000 0.492 344 E N -0.548 119.637 120.200 -0.024 0.000 2.114 344 E HA -0.342 4.007 4.350 -0.001 0.000 0.199 344 E C 1.571 178.156 176.600 -0.026 0.000 1.008 344 E CA 1.450 57.836 56.400 -0.024 0.000 0.810 344 E CB 0.133 29.818 29.700 -0.026 0.000 0.739 344 E HN 0.571 nan 8.360 nan 0.000 0.456 345 Q N -0.094 119.702 119.800 -0.006 0.000 2.084 345 Q HA -0.247 4.093 4.340 -0.001 0.000 0.202 345 Q C 2.170 178.170 176.000 0.001 0.000 0.978 345 Q CA 1.767 57.592 55.803 0.037 0.000 0.844 345 Q CB 0.057 28.850 28.738 0.092 0.000 0.898 345 Q HN 0.425 nan 8.270 nan 0.000 0.426 346 Q N -0.711 118.964 119.800 -0.208 0.000 2.046 346 Q HA -0.133 4.207 4.340 -0.001 0.000 0.200 346 Q C 2.205 178.094 176.000 -0.186 0.000 0.975 346 Q CA 1.655 57.189 55.803 -0.448 0.000 0.836 346 Q CB 0.029 28.363 28.738 -0.673 0.000 0.896 346 Q HN 0.225 nan 8.270 nan 0.000 0.428 347 V N 1.179 121.005 119.914 -0.146 0.000 2.287 347 V HA -0.305 3.814 4.120 -0.001 0.000 0.248 347 V C 2.177 178.250 176.094 -0.035 0.000 1.053 347 V CA 2.027 64.245 62.300 -0.136 0.000 1.027 347 V CB -0.530 31.308 31.823 0.026 0.000 0.646 347 V HN 0.313 nan 8.190 nan 0.000 0.447 348 R N -1.000 119.526 120.500 0.044 0.000 2.092 348 R HA -0.132 4.207 4.340 -0.001 0.000 0.231 348 R C 2.238 178.684 176.300 0.244 0.000 1.119 348 R CA 1.727 57.921 56.100 0.157 0.000 0.970 348 R CB -0.500 29.762 30.300 -0.063 0.000 0.864 348 R HN 0.550 nan 8.270 nan 0.000 0.440 349 F N 1.585 121.596 119.950 0.101 0.000 2.134 349 F HA -0.120 4.406 4.527 -0.001 0.000 0.299 349 F C 1.767 177.612 175.800 0.076 0.000 1.097 349 F CA 1.315 59.399 58.000 0.139 0.000 1.264 349 F CB -0.162 38.980 39.000 0.236 0.000 1.001 349 F HN -0.119 nan 8.300 nan 0.000 0.479 350 L N -0.044 121.049 121.223 -0.216 0.000 2.056 350 L HA -0.205 4.134 4.340 -0.001 0.000 0.207 350 L C 2.203 178.899 176.870 -0.290 0.000 1.078 350 L CA 1.297 55.919 54.840 -0.363 0.000 0.749 350 L CB -0.883 40.752 42.059 -0.706 0.000 0.901 350 L HN 0.052 nan 8.230 nan 0.000 0.433 351 D N 0.370 120.714 120.400 -0.094 0.000 2.127 351 D HA -0.223 4.416 4.640 -0.001 0.000 0.190 351 D C 2.321 178.544 176.300 -0.128 0.000 1.000 351 D CA 1.465 55.493 54.000 0.048 0.000 0.839 351 D CB -0.410 40.567 40.800 0.295 0.000 0.955 351 D HN 0.212 nan 8.370 nan 0.000 0.446 352 L N -0.554 120.583 121.223 -0.143 0.000 2.012 352 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 352 L C 2.408 179.146 176.870 -0.221 0.000 1.073 352 L CA 1.010 55.733 54.840 -0.194 0.000 0.748 352 L CB -0.457 41.498 42.059 -0.173 0.000 0.891 352 L HN 0.009 nan 8.230 nan 0.000 0.431 353 F N -0.243 119.357 119.950 -0.582 0.000 2.259 353 F HA -0.142 4.384 4.527 -0.001 0.000 0.298 353 F C 2.439 178.135 175.800 -0.174 0.000 1.088 353 F CA 1.141 58.856 58.000 -0.474 0.000 1.358 353 F CB -0.041 38.498 39.000 -0.767 0.000 1.040 353 F HN -0.058 nan 8.300 nan 0.000 0.505 354 M N -0.363 119.002 119.600 -0.392 0.000 2.099 354 M HA -0.122 4.358 4.480 -0.001 0.000 0.262 354 M C 2.315 178.424 176.300 -0.318 0.000 1.067 354 M CA 1.148 56.154 55.300 -0.491 0.000 1.124 354 M CB -1.385 30.569 32.600 -1.077 0.000 1.353 354 M HN 0.023 nan 8.290 nan 0.000 0.410 355 V N -0.934 118.838 119.914 -0.236 0.000 2.332 355 V HA -0.293 3.826 4.120 -0.001 0.000 0.248 355 V C 2.092 178.132 176.094 -0.090 0.000 1.055 355 V CA 2.010 64.233 62.300 -0.128 0.000 1.038 355 V CB -0.891 30.881 31.823 -0.084 0.000 0.651 355 V HN 0.620 nan 8.190 nan 0.000 0.450 356 W N 0.093 121.233 121.300 -0.267 0.000 2.338 356 W HA -0.237 4.422 4.660 -0.001 0.000 0.304 356 W C 2.537 178.902 176.519 -0.257 0.000 1.212 356 W CA 1.876 59.076 57.345 -0.242 0.000 1.264 356 W CB -0.514 28.783 29.460 -0.272 0.000 1.142 356 W HN 0.232 nan 8.180 nan 0.000 0.512 357 C N 0.561 119.752 119.300 -0.181 0.000 2.419 357 C HA -0.072 4.388 4.460 -0.001 0.000 0.283 357 C C 2.897 177.762 174.990 -0.208 0.000 1.373 357 C CA 1.420 60.287 59.018 -0.250 0.000 1.781 357 C CB -1.864 25.741 27.740 -0.224 0.000 1.886 357 C HN 0.484 nan 8.230 nan 0.000 0.520 358 A N -0.441 122.279 122.820 -0.166 0.000 2.072 358 A HA 0.143 4.462 4.320 -0.001 0.000 0.216 358 A C 2.015 179.544 177.584 -0.093 0.000 1.156 358 A CA 0.897 52.888 52.037 -0.078 0.000 0.701 358 A CB -0.258 18.669 19.000 -0.122 0.000 0.816 358 A HN 0.597 nan 8.150 nan 0.000 0.458 359 L N -0.881 120.213 121.223 -0.215 0.000 2.202 359 L HA 0.186 4.525 4.340 -0.001 0.000 0.205 359 L C 1.528 178.175 176.870 -0.371 0.000 1.083 359 L CA 0.273 54.974 54.840 -0.232 0.000 0.790 359 L CB -0.364 41.573 42.059 -0.203 0.000 0.942 359 L HN 0.342 nan 8.230 nan 0.000 0.452 360 A N 0.282 122.721 122.820 -0.636 0.000 2.388 360 A HA 0.127 4.446 4.320 -0.001 0.000 0.257 360 A C -0.449 176.952 177.584 -0.305 0.000 1.095 360 A CA -0.466 51.200 52.037 -0.617 0.000 0.791 360 A CB 0.033 18.369 19.000 -1.106 0.000 1.029 360 A HN 0.092 nan 8.150 nan 0.000 0.489 361 D N 0.754 121.041 120.400 -0.187 0.000 2.443 361 D HA 0.403 5.043 4.640 -0.001 0.000 0.239 361 D C 0.073 176.361 176.300 -0.021 0.000 1.136 361 D CA 1.382 55.332 54.000 -0.083 0.000 0.879 361 D CB 0.950 41.720 40.800 -0.050 0.000 1.195 361 D HN 0.680 nan 8.370 nan 0.000 0.443 362 A N 3.564 126.392 122.820 0.014 0.000 2.522 362 A HA 0.513 4.832 4.320 -0.001 0.000 0.285 362 A C -2.466 175.155 177.584 0.062 0.000 1.198 362 A CA -1.246 50.830 52.037 0.065 0.000 0.742 362 A CB 0.868 19.923 19.000 0.091 0.000 1.176 362 A HN 0.264 nan 8.150 nan 0.000 0.444 363 P HA 0.155 nan 4.420 nan 0.000 0.270 363 P C -0.000 177.333 177.300 0.055 0.000 1.227 363 P CA 0.037 63.167 63.100 0.050 0.000 0.788 363 P CB 0.530 32.260 31.700 0.051 0.000 0.926 364 E N 0.386 120.609 120.200 0.038 0.000 2.373 364 E HA 0.341 4.690 4.350 -0.001 0.000 0.263 364 E C -0.319 176.303 176.600 0.037 0.000 1.073 364 E CA -0.067 56.353 56.400 0.033 0.000 0.894 364 E CB 0.436 30.140 29.700 0.007 0.000 1.008 364 E HN 0.357 nan 8.360 nan 0.000 0.420 365 M N 1.560 121.183 119.600 0.039 0.000 2.263 365 M HA 0.177 4.657 4.480 -0.001 0.000 0.295 365 M C -0.335 175.975 176.300 0.017 0.000 1.028 365 M CA -0.615 54.710 55.300 0.040 0.000 0.921 365 M CB 2.134 34.774 32.600 0.067 0.000 1.601 365 M HN 0.517 nan 8.290 nan 0.000 0.440 366 S N 0.645 116.350 115.700 0.010 0.000 2.596 366 S HA 0.140 4.610 4.470 -0.001 0.000 0.260 366 S C 1.252 175.847 174.600 -0.007 0.000 1.336 366 S CA -0.052 58.145 58.200 -0.006 0.000 0.993 366 S CB 0.967 64.166 63.200 -0.002 0.000 0.923 366 S HN 0.830 nan 8.310 nan 0.000 0.567 367 S N 0.320 116.008 115.700 -0.021 0.000 2.423 367 S HA -0.131 4.339 4.470 -0.001 0.000 0.231 367 S C 1.821 176.418 174.600 -0.004 0.000 1.014 367 S CA 1.080 59.265 58.200 -0.024 0.000 0.965 367 S CB -1.115 62.062 63.200 -0.039 0.000 0.785 367 S HN 1.046 nan 8.310 nan 0.000 0.495 368 S N 0.815 116.517 115.700 0.004 0.000 2.478 368 S HA 0.146 4.615 4.470 -0.001 0.000 0.222 368 S C 1.597 176.213 174.600 0.028 0.000 1.008 368 S CA 0.305 58.515 58.200 0.017 0.000 0.928 368 S CB -0.445 62.765 63.200 0.016 0.000 0.781 368 S HN 0.661 nan 8.310 nan 0.000 0.518 369 E N 1.481 121.698 120.200 0.027 0.000 2.106 369 E HA -0.009 4.341 4.350 -0.001 0.000 0.192 369 E C 1.910 178.538 176.600 0.046 0.000 0.984 369 E CA 1.195 57.619 56.400 0.040 0.000 0.806 369 E CB -0.389 29.335 29.700 0.040 0.000 0.750 369 E HN 0.497 nan 8.360 nan 0.000 0.458 370 L N 0.648 121.887 121.223 0.026 0.000 2.012 370 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 370 L C 2.615 179.502 176.870 0.028 0.000 1.073 370 L CA 1.090 55.928 54.840 -0.003 0.000 0.748 370 L CB -0.518 41.503 42.059 -0.063 0.000 0.891 370 L HN 0.160 nan 8.230 nan 0.000 0.431 371 A N -0.986 121.855 122.820 0.035 0.000 1.940 371 A HA -0.243 4.076 4.320 -0.001 0.000 0.219 371 A C 2.388 180.023 177.584 0.086 0.000 1.176 371 A CA 1.884 53.956 52.037 0.057 0.000 0.631 371 A CB -1.177 17.850 19.000 0.045 0.000 0.814 371 A HN 0.557 nan 8.150 nan 0.000 0.446 372 c N -0.337 118.312 118.600 0.082 0.000 2.422 372 c HA -0.094 4.476 4.570 -0.001 0.000 0.279 372 c C 3.214 177.387 174.090 0.138 0.000 1.305 372 c CA 1.602 57.988 56.329 0.095 0.000 1.757 372 c CB -1.475 41.081 42.510 0.078 0.000 1.962 372 c HN 0.821 nan 8.230 nan 0.000 0.499 373 T N -0.292 114.364 114.554 0.170 0.000 2.897 373 T HA -0.240 4.110 4.350 -0.001 0.000 0.271 373 T C 1.735 176.678 174.700 0.403 0.000 1.084 373 T CA 1.625 63.890 62.100 0.275 0.000 1.123 373 T CB -0.399 68.671 68.868 0.337 0.000 0.865 373 T HN 0.487 nan 8.240 nan 0.000 0.496 374 R N 0.972 121.648 120.500 0.293 0.000 2.189 374 R HA 0.125 4.464 4.340 -0.001 0.000 0.218 374 R C 2.050 178.522 176.300 0.286 0.000 1.074 374 R CA 0.761 57.041 56.100 0.300 0.000 0.991 374 R CB -1.037 29.363 30.300 0.167 0.000 0.883 374 R HN 0.388 nan 8.270 nan 0.000 0.457 375 V N 1.179 121.211 119.914 0.197 0.000 2.287 375 V HA -0.278 3.841 4.120 -0.001 0.000 0.248 375 V C 1.705 177.852 176.094 0.089 0.000 1.053 375 V CA 2.156 64.530 62.300 0.124 0.000 1.027 375 V CB -0.630 31.241 31.823 0.080 0.000 0.646 375 V HN 0.403 nan 8.190 nan 0.000 0.447 376 N N -0.972 117.763 118.700 0.059 0.000 2.166 376 N HA -0.178 4.562 4.740 -0.001 0.000 0.186 376 N C 1.499 176.923 175.510 -0.145 0.000 1.019 376 N CA 1.494 54.437 53.050 -0.177 0.000 0.856 376 N CB -0.443 37.803 38.487 -0.401 0.000 0.993 376 N HN 0.605 nan 8.380 nan 0.000 0.426 377 W N 2.041 123.351 121.300 0.017 0.000 2.335 377 W HA -0.070 4.589 4.660 -0.001 0.000 0.311 377 W C 2.164 178.724 176.519 0.068 0.000 1.213 377 W CA 0.801 58.217 57.345 0.118 0.000 1.274 377 W CB -0.629 28.937 29.460 0.178 0.000 1.148 377 W HN 0.104 nan 8.180 nan 0.000 0.498 378 N N -0.027 118.846 118.700 0.287 0.000 2.120 378 N HA -0.137 4.602 4.740 -0.001 0.000 0.188 378 N C 1.666 177.232 175.510 0.094 0.000 1.024 378 N CA 1.424 54.580 53.050 0.177 0.000 0.852 378 N CB -0.700 37.867 38.487 0.133 0.000 1.003 378 N HN 0.227 nan 8.380 nan 0.000 0.424 379 R N 0.367 120.885 120.500 0.029 0.000 2.096 379 R HA -0.074 4.265 4.340 -0.001 0.000 0.240 379 R C 2.134 178.422 176.300 -0.020 0.000 1.139 379 R CA 1.220 57.302 56.100 -0.030 0.000 0.952 379 R CB -0.403 29.828 30.300 -0.114 0.000 0.854 379 R HN 0.053 nan 8.270 nan 0.000 0.436 380 V N 0.823 120.712 119.914 -0.041 0.000 2.453 380 V HA -0.178 3.942 4.120 -0.001 0.000 0.247 380 V C 2.164 178.324 176.094 0.111 0.000 1.048 380 V CA 1.459 63.769 62.300 0.017 0.000 1.049 380 V CB -0.326 31.498 31.823 0.002 0.000 0.672 380 V HN 0.281 nan 8.190 nan 0.000 0.457 381 I N -0.353 120.302 120.570 0.142 0.000 2.179 381 I HA -0.236 3.933 4.170 -0.001 0.000 0.242 381 I C 2.116 178.307 176.117 0.124 0.000 1.088 381 I CA 1.753 63.154 61.300 0.167 0.000 1.357 381 I CB -0.140 37.987 38.000 0.212 0.000 1.051 381 I HN 0.247 nan 8.210 nan 0.000 0.409 382 L N -0.269 121.010 121.223 0.094 0.000 2.354 382 L HA 0.028 4.368 4.340 -0.001 0.000 0.212 382 L C 0.808 177.725 176.870 0.079 0.000 1.091 382 L CA 0.544 55.419 54.840 0.059 0.000 0.828 382 L CB -0.049 42.020 42.059 0.017 0.000 0.973 382 L HN 0.336 nan 8.230 nan 0.000 0.461 383 E N -1.340 118.916 120.200 0.094 0.000 3.640 383 E HA 0.131 4.480 4.350 -0.001 0.000 0.157 383 E C 1.080 177.743 176.600 0.106 0.000 0.974 383 E CA 0.234 56.719 56.400 0.141 0.000 1.465 383 E CB -0.258 29.509 29.700 0.112 0.000 1.098 383 E HN 0.073 nan 8.360 nan 0.000 0.414 384 G N 1.568 110.441 108.800 0.122 0.000 2.462 384 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.220 384 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.220 384 G C 1.518 176.548 174.900 0.217 0.000 1.121 384 G CA 0.371 45.566 45.100 0.158 0.000 0.758 384 G HN 0.156 nan 8.290 nan 0.000 0.559 385 R N -0.286 120.320 120.500 0.178 0.000 2.359 385 R HA 0.185 4.525 4.340 -0.001 0.000 0.231 385 R C 0.633 176.893 176.300 -0.067 0.000 0.913 385 R CA -0.289 55.900 56.100 0.148 0.000 1.075 385 R CB 0.247 30.644 30.300 0.162 0.000 1.087 385 R HN 0.154 nan 8.270 nan 0.000 0.515 386 K N 2.434 122.669 120.400 -0.275 0.000 2.379 386 K HA 0.108 4.428 4.320 -0.001 0.000 0.284 386 K C -2.292 174.060 176.600 -0.414 0.000 1.044 386 K CA -1.822 53.989 56.287 -0.793 0.000 0.974 386 K CB 0.620 32.764 32.500 -0.593 0.000 0.962 386 K HN -0.220 nan 8.250 nan 0.000 0.474 387 P HA 0.006 nan 4.420 nan 0.000 0.264 387 P C 0.127 177.335 177.300 -0.153 0.000 1.193 387 P CA 0.594 63.581 63.100 -0.189 0.000 0.763 387 P CB 0.681 32.299 31.700 -0.137 0.000 0.810 388 G N 1.666 110.407 108.800 -0.098 0.000 2.153 388 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.252 388 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.252 388 G C -0.047 174.799 174.900 -0.090 0.000 0.994 388 G CA -0.204 44.848 45.100 -0.081 0.000 0.698 388 G HN 0.595 nan 8.290 nan 0.000 0.521 389 L N 2.235 123.393 121.223 -0.108 0.000 2.490 389 L HA 0.595 4.935 4.340 -0.001 0.000 0.274 389 L C 1.000 177.812 176.870 -0.096 0.000 1.201 389 L CA 1.001 55.777 54.840 -0.107 0.000 0.869 389 L CB 0.642 42.630 42.059 -0.119 0.000 1.123 389 L HN 0.519 nan 8.230 nan 0.000 0.484 390 T N 3.598 118.100 114.554 -0.087 0.000 2.912 390 T HA 0.694 5.043 4.350 -0.001 0.000 0.288 390 T C -0.215 174.439 174.700 -0.077 0.000 1.030 390 T CA -0.954 61.107 62.100 -0.064 0.000 1.020 390 T CB 1.184 70.022 68.868 -0.050 0.000 1.056 390 T HN 0.523 nan 8.240 nan 0.000 0.480 391 L N 0.953 122.154 121.223 -0.036 0.000 2.332 391 L HA 0.861 5.201 4.340 -0.001 0.000 0.269 391 L C 0.777 177.732 176.870 0.142 0.000 1.016 391 L CA -1.115 53.689 54.840 -0.059 0.000 0.809 391 L CB 1.795 43.717 42.059 -0.229 0.000 1.280 391 L HN 0.995 nan 8.230 nan 0.000 0.447 392 G N 0.185 109.047 108.800 0.103 0.000 2.630 392 G HA2 0.679 4.638 3.960 -0.001 0.000 0.296 392 G HA3 0.679 4.638 3.960 -0.001 0.000 0.296 392 G C -1.014 173.984 174.900 0.162 0.000 1.285 392 G CA -0.743 44.480 45.100 0.207 0.000 0.958 392 G HN 0.414 nan 8.290 nan 0.000 0.479 393 I N 2.016 122.702 120.570 0.194 0.000 2.322 393 I HA 0.404 4.573 4.170 -0.001 0.000 0.292 393 I C 1.339 177.518 176.117 0.104 0.000 1.060 393 I CA 0.879 62.256 61.300 0.129 0.000 1.309 393 I CB 0.394 38.479 38.000 0.142 0.000 1.415 393 I HN 1.008 nan 8.210 nan 0.000 0.492 394 G N 4.887 113.740 108.800 0.088 0.000 2.561 394 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.289 394 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.289 394 G C 0.634 175.583 174.900 0.080 0.000 1.169 394 G CA 0.269 45.420 45.100 0.086 0.000 0.980 394 G HN 0.585 nan 8.290 nan 0.000 0.550 395 c N 2.401 121.044 118.600 0.071 0.000 2.791 395 c HA 0.406 4.975 4.570 -0.001 0.000 0.270 395 c C 1.170 175.293 174.090 0.055 0.000 1.257 395 c CA 0.071 56.436 56.329 0.060 0.000 1.699 395 c CB -1.345 41.197 42.510 0.053 0.000 1.904 395 c HN 0.509 nan 8.230 nan 0.000 0.603 396 E N 1.100 121.340 120.200 0.067 0.000 2.392 396 E HA 0.098 4.447 4.350 -0.001 0.000 0.256 396 E C 0.160 176.794 176.600 0.057 0.000 1.145 396 E CA 0.118 56.557 56.400 0.064 0.000 0.929 396 E CB 0.404 30.152 29.700 0.080 0.000 0.998 396 E HN 0.226 nan 8.360 nan 0.000 0.442 397 T N 1.629 116.205 114.554 0.038 0.000 2.777 397 T HA 0.004 4.353 4.350 -0.001 0.000 0.273 397 T C 0.054 174.765 174.700 0.019 0.000 1.016 397 T CA 0.042 62.151 62.100 0.016 0.000 1.156 397 T CB 0.114 68.980 68.868 -0.004 0.000 1.019 397 T HN 0.506 nan 8.240 nan 0.000 0.503 398 A N 3.252 126.076 122.820 0.006 0.000 2.492 398 A HA 0.374 4.693 4.320 -0.001 0.000 0.254 398 A C 1.016 178.570 177.584 -0.050 0.000 1.091 398 A CA -0.220 51.819 52.037 0.004 0.000 0.768 398 A CB 0.133 19.123 19.000 -0.017 0.000 1.028 398 A HN 0.944 nan 8.150 nan 0.000 0.498 399 Q N 1.736 121.487 119.800 -0.081 0.000 1.891 399 Q HA 0.243 4.583 4.340 -0.001 0.000 0.206 399 Q C -1.261 174.456 176.000 -0.471 0.000 0.710 399 Q CA 0.191 55.807 55.803 -0.312 0.000 0.840 399 Q CB 0.252 28.715 28.738 -0.458 0.000 1.211 399 Q HN 0.549 nan 8.270 nan 0.000 0.424 400 F N 2.783 122.712 119.950 -0.036 0.000 2.402 400 F HA 0.591 5.117 4.527 -0.001 0.000 0.355 400 F C -2.150 173.610 175.800 -0.066 0.000 1.123 400 F CA -2.651 55.327 58.000 -0.036 0.000 1.021 400 F CB 1.526 40.518 39.000 -0.014 0.000 1.160 400 F HN -0.103 nan 8.300 nan 0.000 0.451 401 P HA 0.040 nan 4.420 nan 0.000 0.271 401 P C 1.081 178.385 177.300 0.007 0.000 1.226 401 P CA 0.015 63.122 63.100 0.012 0.000 0.765 401 P CB 0.878 32.576 31.700 -0.003 0.000 0.835 402 L N 6.765 127.956 121.223 -0.052 0.000 2.021 402 L HA -0.182 4.157 4.340 -0.001 0.000 0.215 402 L C -0.846 175.989 176.870 -0.057 0.000 1.074 402 L CA 2.548 57.332 54.840 -0.093 0.000 0.760 402 L CB -1.492 40.460 42.059 -0.179 0.000 0.889 402 L HN 0.354 nan 8.230 nan 0.000 0.433 403 P HA -0.244 nan 4.420 nan 0.000 0.215 403 P C 1.316 178.566 177.300 -0.083 0.000 1.153 403 P CA 1.569 64.682 63.100 0.022 0.000 0.853 403 P CB -0.098 31.628 31.700 0.043 0.000 0.788 404 Q N -0.260 119.512 119.800 -0.047 0.000 2.124 404 Q HA -0.120 4.220 4.340 -0.001 0.000 0.202 404 Q C 1.886 177.833 176.000 -0.088 0.000 0.977 404 Q CA 1.468 57.247 55.803 -0.040 0.000 0.850 404 Q CB -0.365 28.385 28.738 0.021 0.000 0.901 404 Q HN 0.026 nan 8.270 nan 0.000 0.429 405 V N 0.238 120.101 119.914 -0.085 0.000 2.295 405 V HA -0.205 3.914 4.120 -0.001 0.000 0.246 405 V C 2.342 178.256 176.094 -0.301 0.000 1.049 405 V CA 1.916 64.148 62.300 -0.113 0.000 1.024 405 V CB -1.275 30.559 31.823 0.017 0.000 0.648 405 V HN 0.610 nan 8.190 nan 0.000 0.447 406 G N -0.286 108.157 108.800 -0.595 0.000 2.440 406 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.218 406 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.218 406 G C 1.679 176.131 174.900 -0.747 0.000 1.154 406 G CA 0.949 45.219 45.100 -1.383 0.000 0.767 406 G HN 0.484 nan 8.290 nan 0.000 0.552 407 K N -0.071 120.053 120.400 -0.460 0.000 2.103 407 K HA -0.052 4.267 4.320 -0.001 0.000 0.204 407 K C 2.146 178.686 176.600 -0.099 0.000 1.052 407 K CA 0.955 57.135 56.287 -0.178 0.000 0.945 407 K CB -0.116 32.319 32.500 -0.109 0.000 0.722 407 K HN 0.179 nan 8.250 nan 0.000 0.443 408 D N 1.329 121.644 120.400 -0.142 0.000 2.104 408 D HA -0.182 4.458 4.640 -0.001 0.000 0.194 408 D C 1.802 177.996 176.300 -0.178 0.000 0.994 408 D CA 0.862 54.791 54.000 -0.118 0.000 0.830 408 D CB -0.024 40.708 40.800 -0.113 0.000 0.959 408 D HN -0.001 nan 8.370 nan 0.000 0.452 409 L N -0.479 120.564 121.223 -0.301 0.000 2.046 409 L HA -0.070 4.269 4.340 -0.001 0.000 0.208 409 L C 2.101 178.713 176.870 -0.430 0.000 1.077 409 L CA 1.564 56.100 54.840 -0.506 0.000 0.747 409 L CB -0.865 40.794 42.059 -0.667 0.000 0.896 409 L HN -0.019 nan 8.230 nan 0.000 0.432 410 F N -0.444 119.341 119.950 -0.276 0.000 2.407 410 F HA -0.035 4.491 4.527 -0.001 0.000 0.299 410 F C 2.507 178.258 175.800 -0.082 0.000 1.097 410 F CA 0.775 58.693 58.000 -0.136 0.000 1.422 410 F CB -0.289 38.669 39.000 -0.070 0.000 1.067 410 F HN 0.012 nan 8.300 nan 0.000 0.539 411 R N 0.295 120.826 120.500 0.052 0.000 2.091 411 R HA -0.166 4.173 4.340 -0.001 0.000 0.238 411 R C 1.677 177.986 176.300 0.016 0.000 1.136 411 R CA 1.802 57.924 56.100 0.036 0.000 0.959 411 R CB -0.354 29.956 30.300 0.018 0.000 0.856 411 R HN 0.243 nan 8.270 nan 0.000 0.437 412 D N 0.314 120.692 120.400 -0.036 0.000 2.137 412 D HA -0.087 4.552 4.640 -0.001 0.000 0.202 412 D C 1.993 178.291 176.300 -0.004 0.000 0.970 412 D CA 0.789 54.808 54.000 0.032 0.000 0.837 412 D CB -0.164 40.746 40.800 0.182 0.000 0.981 412 D HN 0.188 nan 8.370 nan 0.000 0.475 413 L N 0.597 121.710 121.223 -0.183 0.000 2.127 413 L HA -0.191 4.148 4.340 -0.001 0.000 0.211 413 L C 2.397 179.248 176.870 -0.032 0.000 1.089 413 L CA 1.036 55.766 54.840 -0.184 0.000 0.757 413 L CB -0.352 41.429 42.059 -0.462 0.000 0.899 413 L HN 0.004 nan 8.230 nan 0.000 0.434 414 K N 0.606 121.023 120.400 0.028 0.000 2.148 414 K HA -0.146 4.173 4.320 -0.001 0.000 0.204 414 K C 2.152 178.789 176.600 0.061 0.000 1.050 414 K CA 1.189 57.529 56.287 0.088 0.000 0.942 414 K CB 0.036 32.606 32.500 0.117 0.000 0.724 414 K HN 0.154 nan 8.250 nan 0.000 0.446 415 R N -0.440 120.089 120.500 0.049 0.000 2.090 415 R HA -0.002 4.337 4.340 -0.001 0.000 0.228 415 R C 2.128 178.446 176.300 0.030 0.000 1.110 415 R CA 1.148 57.274 56.100 0.044 0.000 0.973 415 R CB -0.206 30.124 30.300 0.051 0.000 0.869 415 R HN 0.008 nan 8.270 nan 0.000 0.440 416 V N 1.181 121.113 119.914 0.029 0.000 2.407 416 V HA -0.233 3.886 4.120 -0.001 0.000 0.248 416 V C 2.436 178.494 176.094 -0.060 0.000 1.055 416 V CA 1.960 64.257 62.300 -0.005 0.000 1.049 416 V CB -0.709 31.112 31.823 -0.004 0.000 0.662 416 V HN 0.382 nan 8.190 nan 0.000 0.455 417 A N -0.696 122.109 122.820 -0.024 0.000 1.902 417 A HA -0.292 4.028 4.320 -0.001 0.000 0.217 417 A C 2.196 179.797 177.584 0.028 0.000 1.181 417 A CA 1.954 53.993 52.037 0.003 0.000 0.623 417 A CB -0.485 18.584 19.000 0.115 0.000 0.818 417 A HN 0.590 nan 8.150 nan 0.000 0.443 418 Q N -0.966 118.854 119.800 0.034 0.000 2.124 418 Q HA -0.124 4.215 4.340 -0.001 0.000 0.202 418 Q C 2.208 178.213 176.000 0.009 0.000 0.977 418 Q CA 2.042 57.865 55.803 0.034 0.000 0.850 418 Q CB -0.344 28.411 28.738 0.028 0.000 0.901 418 Q HN 0.681 nan 8.270 nan 0.000 0.429 419 T N 0.949 115.491 114.554 -0.020 0.000 2.674 419 T HA -0.122 4.227 4.350 -0.001 0.000 0.265 419 T C 1.782 176.452 174.700 -0.050 0.000 1.039 419 T CA 0.952 63.029 62.100 -0.039 0.000 1.150 419 T CB -0.279 68.561 68.868 -0.047 0.000 0.864 419 T HN 0.177 nan 8.240 nan 0.000 0.427 420 L N 0.893 122.049 121.223 -0.111 0.000 2.079 420 L HA -0.149 4.191 4.340 -0.001 0.000 0.210 420 L C 2.466 179.354 176.870 0.030 0.000 1.081 420 L CA 1.193 55.943 54.840 -0.149 0.000 0.752 420 L CB -0.489 41.226 42.059 -0.573 0.000 0.896 420 L HN 0.212 nan 8.230 nan 0.000 0.433 421 D N -0.832 119.623 120.400 0.092 0.000 2.144 421 D HA -0.140 4.500 4.640 -0.001 0.000 0.200 421 D C 2.377 178.727 176.300 0.083 0.000 0.978 421 D CA 1.623 55.715 54.000 0.154 0.000 0.833 421 D CB -0.001 40.892 40.800 0.156 0.000 0.961 421 D HN 0.348 nan 8.370 nan 0.000 0.470 422 S N 0.752 116.478 115.700 0.043 0.000 2.423 422 S HA -0.106 4.363 4.470 -0.001 0.000 0.231 422 S C 2.183 176.795 174.600 0.019 0.000 1.014 422 S CA 0.589 58.803 58.200 0.023 0.000 0.965 422 S CB -0.613 62.588 63.200 0.002 0.000 0.785 422 S HN 0.502 nan 8.310 nan 0.000 0.495 423 I N -1.777 118.805 120.570 0.019 0.000 3.226 423 I HA 0.218 4.387 4.170 -0.001 0.000 0.277 423 I C 1.610 177.751 176.117 0.041 0.000 1.243 423 I CA 0.552 61.863 61.300 0.018 0.000 1.459 423 I CB -0.342 37.662 38.000 0.005 0.000 1.093 423 I HN 0.101 nan 8.210 nan 0.000 0.453 424 N N 1.693 120.436 118.700 0.071 0.000 2.388 424 N HA 0.163 4.903 4.740 -0.001 0.000 0.176 424 N C 0.834 176.386 175.510 0.070 0.000 1.062 424 N CA 1.130 54.234 53.050 0.090 0.000 0.895 424 N CB 0.693 39.277 38.487 0.162 0.000 1.018 424 N HN 0.557 nan 8.380 nan 0.000 0.456 425 G N -0.007 108.830 108.800 0.063 0.000 2.764 425 G HA2 0.252 4.212 3.960 -0.001 0.000 0.686 425 G HA3 0.252 4.212 3.960 -0.001 0.000 0.686 425 G C 0.201 175.136 174.900 0.058 0.000 1.258 425 G CA -0.123 45.006 45.100 0.050 0.000 0.846 425 G HN 0.662 nan 8.290 nan 0.000 0.596 426 G N 0.485 109.314 108.800 0.049 0.000 2.548 426 G HA2 0.256 4.216 3.960 -0.001 0.000 0.208 426 G HA3 0.256 4.216 3.960 -0.001 0.000 0.208 426 G C 0.118 175.055 174.900 0.063 0.000 1.308 426 G CA 0.731 45.859 45.100 0.047 0.000 0.924 426 G HN 1.650 nan 8.290 nan 0.000 0.540 427 E N -0.500 119.736 120.200 0.059 0.000 2.862 427 E HA 0.393 4.742 4.350 -0.001 0.000 0.204 427 E C 1.771 178.416 176.600 0.075 0.000 0.966 427 E CA 0.455 56.900 56.400 0.075 0.000 1.257 427 E CB 0.847 30.581 29.700 0.057 0.000 1.053 427 E HN 0.872 nan 8.360 nan 0.000 0.487 428 A N 0.507 123.349 122.820 0.038 0.000 1.908 428 A HA -0.207 4.113 4.320 -0.001 0.000 0.218 428 A C 1.653 179.226 177.584 -0.019 0.000 1.181 428 A CA 1.363 53.378 52.037 -0.037 0.000 0.627 428 A CB -0.566 18.347 19.000 -0.144 0.000 0.818 428 A HN 0.227 nan 8.150 nan 0.000 0.445 429 Y N -0.199 120.143 120.300 0.071 0.000 2.220 429 Y HA -0.162 4.387 4.550 -0.001 0.000 0.291 429 Y C 2.753 178.713 175.900 0.099 0.000 1.129 429 Y CA 1.729 59.881 58.100 0.086 0.000 1.161 429 Y CB -0.445 38.058 38.460 0.071 0.000 0.997 429 Y HN 0.408 nan 8.280 nan 0.000 0.522 430 Q N -0.250 119.690 119.800 0.233 0.000 2.124 430 Q HA -0.226 4.114 4.340 -0.001 0.000 0.202 430 Q C 2.151 178.236 176.000 0.142 0.000 0.977 430 Q CA 1.522 57.426 55.803 0.169 0.000 0.850 430 Q CB -0.135 28.678 28.738 0.124 0.000 0.901 430 Q HN 0.111 nan 8.270 nan 0.000 0.429 431 K N 0.557 121.023 120.400 0.110 0.000 2.063 431 K HA -0.132 4.188 4.320 -0.001 0.000 0.208 431 K C 1.777 178.440 176.600 0.104 0.000 1.048 431 K CA 1.111 57.447 56.287 0.082 0.000 0.928 431 K CB -0.528 32.003 32.500 0.052 0.000 0.713 431 K HN 0.031 nan 8.250 nan 0.000 0.442 432 V N -0.115 119.883 119.914 0.140 0.000 2.427 432 V HA -0.301 3.819 4.120 -0.001 0.000 0.248 432 V C 2.395 178.643 176.094 0.256 0.000 1.051 432 V CA 1.815 64.226 62.300 0.185 0.000 1.048 432 V CB -0.431 31.521 31.823 0.215 0.000 0.666 432 V HN 0.441 nan 8.190 nan 0.000 0.456 433 C N -0.033 119.451 119.300 0.307 0.000 2.425 433 C HA -0.157 4.303 4.460 -0.001 0.000 0.277 433 C C 2.476 177.571 174.990 0.175 0.000 1.280 433 C CA 0.926 60.184 59.018 0.400 0.000 1.744 433 C CB -1.029 26.935 27.740 0.373 0.000 1.989 433 C HN 0.608 nan 8.230 nan 0.000 0.491 434 D N 0.495 120.962 120.400 0.111 0.000 2.117 434 D HA -0.088 4.551 4.640 -0.001 0.000 0.198 434 D C 2.095 178.385 176.300 -0.016 0.000 0.982 434 D CA 1.071 55.092 54.000 0.035 0.000 0.828 434 D CB -0.452 40.372 40.800 0.040 0.000 0.967 434 D HN 0.622 nan 8.370 nan 0.000 0.464 435 E N 0.489 120.695 120.200 0.009 0.000 2.017 435 E HA -0.114 4.236 4.350 -0.001 0.000 0.193 435 E C 2.361 178.900 176.600 -0.101 0.000 0.997 435 E CA 0.659 57.045 56.400 -0.023 0.000 0.804 435 E CB -0.161 29.551 29.700 0.020 0.000 0.757 435 E HN 0.239 nan 8.360 nan 0.000 0.448 436 L N 0.728 121.884 121.223 -0.112 0.000 2.217 436 L HA -0.093 4.246 4.340 -0.001 0.000 0.211 436 L C 2.563 179.099 176.870 -0.557 0.000 1.107 436 L CA 0.209 54.873 54.840 -0.294 0.000 0.783 436 L CB -0.264 41.702 42.059 -0.156 0.000 0.919 436 L HN 0.074 nan 8.230 nan 0.000 0.442 437 V N 0.359 119.887 119.914 -0.645 0.000 2.490 437 V HA -0.262 3.858 4.120 -0.001 0.000 0.250 437 V C 2.635 178.586 176.094 -0.237 0.000 1.061 437 V CA 1.737 63.667 62.300 -0.617 0.000 1.064 437 V CB -0.140 31.416 31.823 -0.445 0.000 0.670 437 V HN 0.437 nan 8.190 nan 0.000 0.461 438 A N -0.910 121.793 122.820 -0.195 0.000 2.024 438 A HA -0.265 4.055 4.320 -0.001 0.000 0.220 438 A C 2.257 179.755 177.584 -0.144 0.000 1.164 438 A CA 2.156 54.118 52.037 -0.126 0.000 0.643 438 A CB -1.206 17.733 19.000 -0.102 0.000 0.806 438 A HN 0.725 nan 8.150 nan 0.000 0.451 439 C N -1.800 117.350 119.300 -0.251 0.000 2.432 439 C HA -0.004 4.456 4.460 -0.001 0.000 0.282 439 C C 2.204 177.050 174.990 -0.240 0.000 1.388 439 C CA 0.351 59.182 59.018 -0.311 0.000 1.777 439 C CB -1.893 25.534 27.740 -0.522 0.000 1.882 439 C HN 0.612 nan 8.230 nan 0.000 0.520 440 F N 1.365 121.276 119.950 -0.064 0.000 2.259 440 F HA -0.053 4.473 4.527 -0.001 0.000 0.298 440 F C 2.203 177.980 175.800 -0.039 0.000 1.088 440 F CA 1.342 59.316 58.000 -0.043 0.000 1.358 440 F CB -0.500 38.412 39.000 -0.148 0.000 1.040 440 F HN 0.282 nan 8.300 nan 0.000 0.505 441 D N -0.756 119.688 120.400 0.075 0.000 2.277 441 D HA -0.068 4.571 4.640 -0.001 0.000 0.208 441 D C 0.312 176.619 176.300 0.012 0.000 0.962 441 D CA 0.860 54.880 54.000 0.034 0.000 0.865 441 D CB -0.101 40.703 40.800 0.007 0.000 0.939 441 D HN 0.128 nan 8.370 nan 0.000 0.510 442 N N -0.023 118.667 118.700 -0.015 0.000 2.640 442 N HA 0.146 4.885 4.740 -0.001 0.000 0.262 442 N C -2.277 173.197 175.510 -0.060 0.000 1.174 442 N CA -1.725 51.307 53.050 -0.030 0.000 0.791 442 N CB 1.866 40.328 38.487 -0.041 0.000 1.279 442 N HN -0.310 nan 8.380 nan 0.000 0.535 443 P HA -0.070 nan 4.420 nan 0.000 0.219 443 P C 0.420 177.651 177.300 -0.114 0.000 1.146 443 P CA 0.993 64.044 63.100 -0.081 0.000 0.808 443 P CB 0.394 32.102 31.700 0.012 0.000 0.779 444 D N -1.013 119.352 120.400 -0.058 0.000 2.351 444 D HA -0.064 4.575 4.640 -0.001 0.000 0.216 444 D C 1.715 177.970 176.300 -0.075 0.000 0.968 444 D CA 0.665 54.634 54.000 -0.051 0.000 0.899 444 D CB -0.202 40.584 40.800 -0.023 0.000 0.907 444 D HN 0.265 nan 8.370 nan 0.000 0.514 445 L N 0.742 121.901 121.223 -0.107 0.000 2.418 445 L HA -0.009 4.330 4.340 -0.001 0.000 0.218 445 L C 1.212 178.010 176.870 -0.120 0.000 1.125 445 L CA 0.275 55.047 54.840 -0.115 0.000 0.835 445 L CB -0.098 41.883 42.059 -0.130 0.000 0.953 445 L HN 0.043 nan 8.230 nan 0.000 0.454 446 T N -3.937 110.504 114.554 -0.188 0.000 2.860 446 T HA 0.023 4.372 4.350 -0.001 0.000 0.299 446 T C 1.129 175.880 174.700 0.085 0.000 1.045 446 T CA -0.532 61.435 62.100 -0.221 0.000 1.071 446 T CB 0.679 69.240 68.868 -0.512 0.000 0.985 446 T HN -0.095 nan 8.240 nan 0.000 0.537 447 F N 1.415 121.324 119.950 -0.069 0.000 2.154 447 F HA -0.127 4.400 4.527 -0.001 0.000 0.301 447 F C 3.007 178.878 175.800 0.120 0.000 1.087 447 F CA 1.477 59.575 58.000 0.164 0.000 1.274 447 F CB -1.494 37.650 39.000 0.241 0.000 1.009 447 F HN 0.802 nan 8.300 nan 0.000 0.485 448 S N -0.201 115.614 115.700 0.192 0.000 2.387 448 S HA -0.001 4.468 4.470 -0.001 0.000 0.226 448 S C 2.273 176.915 174.600 0.070 0.000 1.026 448 S CA 0.643 58.907 58.200 0.107 0.000 0.972 448 S CB -0.939 62.289 63.200 0.047 0.000 0.814 448 S HN 0.233 nan 8.310 nan 0.000 0.477 449 A N 2.700 125.538 122.820 0.029 0.000 1.877 449 A HA -0.050 4.269 4.320 -0.001 0.000 0.216 449 A C 2.388 179.996 177.584 0.040 0.000 1.186 449 A CA 1.451 53.499 52.037 0.019 0.000 0.620 449 A CB -0.630 18.364 19.000 -0.009 0.000 0.822 449 A HN 0.566 nan 8.150 nan 0.000 0.443 450 R N -1.171 119.372 120.500 0.071 0.000 2.081 450 R HA -0.071 4.269 4.340 -0.001 0.000 0.235 450 R C 1.964 178.385 176.300 0.201 0.000 1.131 450 R CA 1.521 57.678 56.100 0.094 0.000 0.960 450 R CB -0.473 29.817 30.300 -0.018 0.000 0.856 450 R HN 0.507 nan 8.270 nan 0.000 0.436 451 I N 0.477 121.194 120.570 0.245 0.000 2.546 451 I HA -0.139 4.030 4.170 -0.001 0.000 0.255 451 I C 1.782 177.921 176.117 0.035 0.000 1.163 451 I CA 0.761 62.137 61.300 0.127 0.000 1.457 451 I CB -0.029 37.948 38.000 -0.038 0.000 1.092 451 I HN 0.081 nan 8.210 nan 0.000 0.434 452 L N 0.511 121.742 121.223 0.015 0.000 2.027 452 L HA -0.136 4.204 4.340 -0.001 0.000 0.206 452 L C 2.567 179.382 176.870 -0.091 0.000 1.074 452 L CA 1.701 56.503 54.840 -0.063 0.000 0.745 452 L CB -0.738 41.277 42.059 -0.074 0.000 0.898 452 L HN 0.129 nan 8.230 nan 0.000 0.433 453 R N -1.003 119.470 120.500 -0.044 0.000 2.117 453 R HA -0.189 4.151 4.340 -0.001 0.000 0.243 453 R C 2.517 178.799 176.300 -0.030 0.000 1.143 453 R CA 1.626 57.700 56.100 -0.044 0.000 0.968 453 R CB -0.609 29.682 30.300 -0.014 0.000 0.863 453 R HN 0.547 nan 8.270 nan 0.000 0.444 454 S N 0.051 115.758 115.700 0.012 0.000 2.395 454 S HA -0.054 4.415 4.470 -0.001 0.000 0.225 454 S C 1.939 176.541 174.600 0.003 0.000 1.027 454 S CA 0.655 58.875 58.200 0.034 0.000 0.965 454 S CB 0.096 63.370 63.200 0.123 0.000 0.812 454 S HN 0.172 nan 8.310 nan 0.000 0.482 455 M N 0.975 120.560 119.600 -0.026 0.000 2.200 455 M HA 0.053 4.532 4.480 -0.001 0.000 0.265 455 M C 1.924 178.172 176.300 -0.087 0.000 1.066 455 M CA 1.131 56.404 55.300 -0.046 0.000 1.127 455 M CB -0.350 32.219 32.600 -0.052 0.000 1.379 455 M HN 0.317 nan 8.290 nan 0.000 0.420 456 I N 0.056 120.530 120.570 -0.160 0.000 2.264 456 I HA -0.330 3.839 4.170 -0.001 0.000 0.248 456 I C 2.084 178.150 176.117 -0.086 0.000 1.111 456 I CA 1.661 62.847 61.300 -0.189 0.000 1.382 456 I CB -1.041 36.818 38.000 -0.234 0.000 1.060 456 I HN 0.434 nan 8.210 nan 0.000 0.418 457 D N 0.638 121.001 120.400 -0.060 0.000 2.137 457 D HA -0.090 4.549 4.640 -0.001 0.000 0.202 457 D C 1.509 177.800 176.300 -0.014 0.000 0.970 457 D CA 1.883 55.863 54.000 -0.032 0.000 0.837 457 D CB 0.507 41.291 40.800 -0.027 0.000 0.981 457 D HN 0.374 nan 8.370 nan 0.000 0.475 458 T N -2.185 112.366 114.554 -0.005 0.000 3.091 458 T HA 0.477 4.826 4.350 -0.001 0.000 0.277 458 T C 0.907 175.626 174.700 0.031 0.000 0.996 458 T CA 0.180 62.289 62.100 0.015 0.000 0.897 458 T CB 1.305 70.185 68.868 0.020 0.000 1.109 458 T HN 0.294 nan 8.240 nan 0.000 0.534 459 G N 1.720 110.529 108.800 0.014 0.000 2.860 459 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.553 459 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.553 459 G C 0.484 175.410 174.900 0.044 0.000 1.439 459 G CA -0.312 44.801 45.100 0.022 0.000 0.879 459 G HN 0.322 nan 8.290 nan 0.000 0.545 460 I N 1.254 121.855 120.570 0.052 0.000 2.226 460 I HA -0.078 4.092 4.170 -0.001 0.000 0.245 460 I C 3.026 179.270 176.117 0.211 0.000 1.100 460 I CA 1.972 63.336 61.300 0.107 0.000 1.374 460 I CB -0.705 37.368 38.000 0.122 0.000 1.057 460 I HN 0.740 nan 8.210 nan 0.000 0.413 461 G N 0.745 109.630 108.800 0.140 0.000 2.480 461 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.216 461 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.216 461 G C 1.735 176.861 174.900 0.377 0.000 1.200 461 G CA 0.899 46.173 45.100 0.290 0.000 0.782 461 G HN 0.483 nan 8.290 nan 0.000 0.554 462 G N 0.032 108.963 108.800 0.217 0.000 2.446 462 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.217 462 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.217 462 G C 1.873 176.831 174.900 0.097 0.000 1.168 462 G CA 1.853 47.042 45.100 0.148 0.000 0.771 462 G HN 0.404 nan 8.290 nan 0.000 0.551 463 T N 0.898 115.500 114.554 0.081 0.000 2.737 463 T HA -0.011 4.339 4.350 -0.001 0.000 0.265 463 T C 2.504 177.223 174.700 0.030 0.000 1.038 463 T CA 1.447 63.596 62.100 0.081 0.000 1.144 463 T CB -0.651 68.261 68.868 0.073 0.000 0.866 463 T HN 0.357 nan 8.240 nan 0.000 0.434 464 G N 1.906 110.607 108.800 -0.165 0.000 2.459 464 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.217 464 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.217 464 G C 1.598 176.248 174.900 -0.416 0.000 1.183 464 G CA 0.842 45.470 45.100 -0.787 0.000 0.776 464 G HN 0.431 nan 8.290 nan 0.000 0.552 465 K N 0.632 121.049 120.400 0.029 0.000 2.063 465 K HA -0.020 4.300 4.320 -0.001 0.000 0.208 465 K C 2.973 179.575 176.600 0.005 0.000 1.048 465 K CA 1.079 57.453 56.287 0.145 0.000 0.928 465 K CB -0.277 32.361 32.500 0.231 0.000 0.713 465 K HN 0.282 nan 8.250 nan 0.000 0.442 466 A N 1.038 123.836 122.820 -0.038 0.000 1.877 466 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 466 A C 2.008 179.436 177.584 -0.260 0.000 1.186 466 A CA 1.328 53.279 52.037 -0.143 0.000 0.620 466 A CB -0.779 18.112 19.000 -0.182 0.000 0.822 466 A HN 0.183 nan 8.150 nan 0.000 0.443 467 F N 0.185 119.932 119.950 -0.339 0.000 2.102 467 F HA -0.122 4.405 4.527 -0.001 0.000 0.298 467 F C 2.853 178.319 175.800 -0.556 0.000 1.105 467 F CA 1.276 58.935 58.000 -0.568 0.000 1.239 467 F CB -0.518 38.159 39.000 -0.538 0.000 0.991 467 F HN 0.260 nan 8.300 nan 0.000 0.474 468 A N -0.310 122.443 122.820 -0.112 0.000 1.908 468 A HA -0.284 4.035 4.320 -0.001 0.000 0.218 468 A C 2.037 179.620 177.584 -0.002 0.000 1.181 468 A CA 2.075 54.111 52.037 -0.001 0.000 0.627 468 A CB -0.836 18.203 19.000 0.065 0.000 0.818 468 A HN 0.391 nan 8.150 nan 0.000 0.445 469 E N 0.340 120.510 120.200 -0.050 0.000 2.031 469 E HA -0.075 4.275 4.350 -0.001 0.000 0.193 469 E C 2.042 178.600 176.600 -0.071 0.000 0.994 469 E CA 1.872 58.247 56.400 -0.042 0.000 0.800 469 E CB -0.603 29.065 29.700 -0.054 0.000 0.752 469 E HN 0.443 nan 8.360 nan 0.000 0.447 470 A N -0.375 122.342 122.820 -0.173 0.000 1.908 470 A HA -0.184 4.135 4.320 -0.001 0.000 0.218 470 A C 2.120 179.684 177.584 -0.034 0.000 1.181 470 A CA 1.742 53.676 52.037 -0.171 0.000 0.627 470 A CB -1.044 17.767 19.000 -0.315 0.000 0.818 470 A HN 0.451 nan 8.150 nan 0.000 0.445 471 Y N -0.305 120.003 120.300 0.014 0.000 2.293 471 Y HA -0.096 4.453 4.550 -0.001 0.000 0.291 471 Y C 2.457 178.367 175.900 0.016 0.000 1.137 471 Y CA 0.927 59.039 58.100 0.020 0.000 1.202 471 Y CB -0.711 37.770 38.460 0.036 0.000 0.990 471 Y HN 0.433 nan 8.280 nan 0.000 0.537 472 R N 0.623 121.220 120.500 0.162 0.000 2.073 472 R HA -0.163 4.176 4.340 -0.001 0.000 0.234 472 R C 1.746 178.081 176.300 0.057 0.000 1.134 472 R CA 1.742 57.901 56.100 0.097 0.000 0.952 472 R CB -0.201 30.142 30.300 0.071 0.000 0.850 472 R HN 0.227 nan 8.270 nan 0.000 0.433 473 N N 1.150 119.874 118.700 0.039 0.000 2.149 473 N HA -0.196 4.543 4.740 -0.001 0.000 0.188 473 N C 1.779 177.306 175.510 0.027 0.000 1.019 473 N CA 1.118 54.179 53.050 0.019 0.000 0.857 473 N CB -0.327 38.160 38.487 -0.000 0.000 0.997 473 N HN 0.288 nan 8.380 nan 0.000 0.426 474 L N 0.681 121.938 121.223 0.057 0.000 2.005 474 L HA -0.063 4.276 4.340 -0.001 0.000 0.207 474 L C 2.018 178.907 176.870 0.032 0.000 1.072 474 L CA 1.126 55.999 54.840 0.055 0.000 0.744 474 L CB -0.320 41.804 42.059 0.109 0.000 0.895 474 L HN 0.128 nan 8.230 nan 0.000 0.433 475 L N -0.669 120.578 121.223 0.040 0.000 2.093 475 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 475 L C 2.719 179.587 176.870 -0.003 0.000 1.085 475 L CA 1.029 55.876 54.840 0.011 0.000 0.755 475 L CB -0.475 41.597 42.059 0.023 0.000 0.904 475 L HN 0.234 nan 8.230 nan 0.000 0.435 476 R N -0.238 120.262 120.500 -0.000 0.000 2.127 476 R HA -0.146 4.193 4.340 -0.001 0.000 0.238 476 R C 2.093 178.381 176.300 -0.019 0.000 1.134 476 R CA 0.994 57.082 56.100 -0.020 0.000 0.975 476 R CB -0.073 30.215 30.300 -0.020 0.000 0.865 476 R HN 0.313 nan 8.270 nan 0.000 0.447 477 E N 0.681 120.876 120.200 -0.009 0.000 2.299 477 E HA -0.030 4.319 4.350 -0.001 0.000 0.193 477 E C -0.102 176.493 176.600 -0.009 0.000 0.998 477 E CA 0.532 56.926 56.400 -0.009 0.000 0.851 477 E CB 0.140 29.837 29.700 -0.005 0.000 0.795 477 E HN 0.432 nan 8.360 nan 0.000 0.492 478 E N 2.781 122.975 120.200 -0.011 0.000 2.316 478 E HA 0.118 4.467 4.350 -0.001 0.000 0.275 478 E C -2.204 174.390 176.600 -0.011 0.000 1.029 478 E CA -1.821 54.571 56.400 -0.013 0.000 0.871 478 E CB 0.529 30.217 29.700 -0.020 0.000 1.022 478 E HN 0.004 nan 8.360 nan 0.000 0.418 479 P HA -0.004 nan 4.420 nan 0.000 0.271 479 P C -0.096 177.201 177.300 -0.004 0.000 1.218 479 P CA -0.030 63.069 63.100 -0.001 0.000 0.780 479 P CB 0.621 32.321 31.700 -0.000 0.000 0.901 480 L N 2.007 123.236 121.223 0.009 0.000 2.499 480 L HA -0.031 4.308 4.340 -0.001 0.000 0.281 480 L C 1.587 178.445 176.870 -0.020 0.000 1.234 480 L CA 0.776 55.618 54.840 0.004 0.000 0.839 480 L CB -0.197 41.889 42.059 0.044 0.000 1.104 480 L HN 0.526 nan 8.230 nan 0.000 0.500 481 E N 1.347 121.516 120.200 -0.051 0.000 2.414 481 E HA 0.142 4.491 4.350 -0.001 0.000 0.208 481 E C 1.424 177.984 176.600 -0.066 0.000 0.820 481 E CA 0.202 56.572 56.400 -0.050 0.000 1.143 481 E CB 0.748 30.416 29.700 -0.052 0.000 1.150 481 E HN 0.607 nan 8.360 nan 0.000 0.540 482 I N 0.559 121.051 120.570 -0.129 0.000 3.443 482 I HA 0.098 4.267 4.170 -0.001 0.000 0.277 482 I C 0.417 176.420 176.117 -0.190 0.000 1.169 482 I CA 0.103 61.316 61.300 -0.145 0.000 1.419 482 I CB 0.709 38.581 38.000 -0.214 0.000 1.331 482 I HN -0.107 nan 8.210 nan 0.000 0.458 483 L N 1.910 122.947 121.223 -0.309 0.000 2.326 483 L HA 0.344 4.684 4.340 -0.001 0.000 0.278 483 L C 0.027 176.834 176.870 -0.106 0.000 1.092 483 L CA -0.297 54.346 54.840 -0.328 0.000 0.810 483 L CB 0.821 42.478 42.059 -0.669 0.000 1.153 483 L HN 0.107 nan 8.230 nan 0.000 0.439 484 R N 1.020 121.482 120.500 -0.063 0.000 2.543 484 R HA 0.117 4.456 4.340 -0.001 0.000 0.268 484 R C 0.954 177.315 176.300 0.101 0.000 1.067 484 R CA -0.643 55.472 56.100 0.025 0.000 1.142 484 R CB 0.880 31.191 30.300 0.019 0.000 1.110 484 R HN 0.596 nan 8.270 nan 0.000 0.549 485 E N 1.224 121.504 120.200 0.134 0.000 2.160 485 E HA -0.269 4.081 4.350 -0.001 0.000 0.195 485 E C 0.794 177.474 176.600 0.133 0.000 0.991 485 E CA 1.539 58.040 56.400 0.169 0.000 0.810 485 E CB 0.267 30.072 29.700 0.175 0.000 0.742 485 E HN 0.475 nan 8.360 nan 0.000 0.466 486 E N 1.112 121.364 120.200 0.088 0.000 2.097 486 E HA -0.209 4.141 4.350 -0.001 0.000 0.196 486 E C 1.704 178.337 176.600 0.054 0.000 1.000 486 E CA 1.574 58.014 56.400 0.066 0.000 0.804 486 E CB -0.180 29.546 29.700 0.045 0.000 0.740 486 E HN 0.385 nan 8.360 nan 0.000 0.454 487 D N -0.509 119.905 120.400 0.024 0.000 2.117 487 D HA -0.136 4.503 4.640 -0.001 0.000 0.197 487 D C 1.822 178.118 176.300 -0.006 0.000 0.987 487 D CA 0.885 54.881 54.000 -0.006 0.000 0.829 487 D CB -0.304 40.440 40.800 -0.094 0.000 0.961 487 D HN 0.203 nan 8.370 nan 0.000 0.460 488 F N 1.063 120.996 119.950 -0.028 0.000 2.134 488 F HA -0.146 4.381 4.527 -0.001 0.000 0.299 488 F C 2.576 178.368 175.800 -0.013 0.000 1.097 488 F CA 0.498 58.444 58.000 -0.089 0.000 1.264 488 F CB -0.662 37.881 39.000 -0.760 0.000 1.001 488 F HN -0.191 nan 8.300 nan 0.000 0.479 489 V N -0.171 119.849 119.914 0.177 0.000 2.307 489 V HA -0.299 3.820 4.120 -0.001 0.000 0.245 489 V C 2.576 178.719 176.094 0.081 0.000 1.045 489 V CA 1.768 64.153 62.300 0.143 0.000 1.024 489 V CB -1.263 30.634 31.823 0.123 0.000 0.651 489 V HN 0.353 nan 8.190 nan 0.000 0.449 490 A N -0.104 122.745 122.820 0.048 0.000 1.908 490 A HA -0.288 4.032 4.320 -0.001 0.000 0.218 490 A C 2.185 179.737 177.584 -0.053 0.000 1.181 490 A CA 2.278 54.317 52.037 0.004 0.000 0.627 490 A CB -0.531 18.471 19.000 0.004 0.000 0.818 490 A HN 0.559 nan 8.150 nan 0.000 0.445 491 E N -0.069 120.065 120.200 -0.110 0.000 2.152 491 E HA -0.149 4.200 4.350 -0.001 0.000 0.192 491 E C 2.117 178.598 176.600 -0.198 0.000 0.983 491 E CA 1.221 57.432 56.400 -0.315 0.000 0.818 491 E CB -0.298 28.979 29.700 -0.706 0.000 0.758 491 E HN 0.566 nan 8.360 nan 0.000 0.467 492 R N 0.497 121.011 120.500 0.024 0.000 2.083 492 R HA -0.186 4.154 4.340 -0.001 0.000 0.237 492 R C 1.919 178.250 176.300 0.051 0.000 1.137 492 R CA 1.952 58.124 56.100 0.120 0.000 0.951 492 R CB -0.164 30.244 30.300 0.180 0.000 0.851 492 R HN 0.246 nan 8.270 nan 0.000 0.434 493 E N -0.166 120.048 120.200 0.023 0.000 2.072 493 E HA -0.121 4.228 4.350 -0.001 0.000 0.190 493 E C 1.980 178.570 176.600 -0.016 0.000 0.982 493 E CA 1.079 57.486 56.400 0.012 0.000 0.803 493 E CB -0.106 29.602 29.700 0.014 0.000 0.755 493 E HN 0.479 nan 8.360 nan 0.000 0.453 494 A N 1.345 124.132 122.820 -0.056 0.000 1.972 494 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 494 A C 2.307 179.843 177.584 -0.080 0.000 1.169 494 A CA 1.816 53.807 52.037 -0.076 0.000 0.635 494 A CB -0.523 18.409 19.000 -0.114 0.000 0.810 494 A HN 0.320 nan 8.150 nan 0.000 0.446 495 S N -0.383 115.261 115.700 -0.094 0.000 2.414 495 S HA -0.095 4.375 4.470 -0.001 0.000 0.227 495 S C 1.623 176.229 174.600 0.010 0.000 1.022 495 S CA 1.145 59.312 58.200 -0.055 0.000 0.958 495 S CB -0.324 62.852 63.200 -0.039 0.000 0.797 495 S HN 0.655 nan 8.310 nan 0.000 0.493 496 E N 1.142 121.357 120.200 0.024 0.000 2.152 496 E HA 0.009 4.359 4.350 -0.001 0.000 0.192 496 E C 2.463 179.071 176.600 0.014 0.000 0.983 496 E CA 0.526 56.946 56.400 0.033 0.000 0.818 496 E CB -0.047 29.678 29.700 0.042 0.000 0.758 496 E HN 0.480 nan 8.360 nan 0.000 0.467 497 R N 0.566 121.067 120.500 0.001 0.000 2.070 497 R HA -0.085 4.255 4.340 -0.001 0.000 0.232 497 R C 2.399 178.695 176.300 -0.007 0.000 1.138 497 R CA 1.289 57.386 56.100 -0.005 0.000 0.936 497 R CB -0.230 30.064 30.300 -0.012 0.000 0.839 497 R HN 0.081 nan 8.270 nan 0.000 0.429 498 R N 0.520 121.011 120.500 -0.014 0.000 2.103 498 R HA -0.222 4.117 4.340 -0.001 0.000 0.242 498 R C 2.445 178.741 176.300 -0.007 0.000 1.142 498 R CA 1.717 57.808 56.100 -0.015 0.000 0.960 498 R CB -0.322 29.963 30.300 -0.025 0.000 0.858 498 R HN 0.398 nan 8.270 nan 0.000 0.439 499 Q N 0.936 120.738 119.800 0.003 0.000 2.050 499 Q HA -0.249 4.091 4.340 -0.001 0.000 0.202 499 Q C 2.031 178.030 176.000 -0.002 0.000 0.980 499 Q CA 1.664 57.471 55.803 0.007 0.000 0.840 499 Q CB 0.083 28.837 28.738 0.028 0.000 0.898 499 Q HN 0.348 nan 8.270 nan 0.000 0.424 500 Q N 0.383 120.184 119.800 0.000 0.000 2.045 500 Q HA -0.230 4.109 4.340 -0.001 0.000 0.206 500 Q C 1.933 177.928 176.000 -0.008 0.000 0.991 500 Q CA 2.249 58.050 55.803 -0.003 0.000 0.851 500 Q CB -0.005 28.733 28.738 -0.000 0.000 0.911 500 Q HN 0.442 nan 8.270 nan 0.000 0.418 501 E N -0.079 120.117 120.200 -0.007 0.000 2.049 501 E HA -0.236 4.113 4.350 -0.001 0.000 0.198 501 E C 1.987 178.580 176.600 -0.011 0.000 1.007 501 E CA 1.555 57.951 56.400 -0.008 0.000 0.809 501 E CB -0.179 29.517 29.700 -0.007 0.000 0.749 501 E HN 0.386 nan 8.360 nan 0.000 0.450 502 M N 0.348 119.939 119.600 -0.015 0.000 2.202 502 M HA -0.203 4.276 4.480 -0.001 0.000 0.262 502 M C 2.008 178.285 176.300 -0.038 0.000 1.063 502 M CA 1.413 56.698 55.300 -0.025 0.000 1.097 502 M CB -0.152 32.430 32.600 -0.030 0.000 1.382 502 M HN 0.091 nan 8.290 nan 0.000 0.413 503 E N 0.104 120.285 120.200 -0.032 0.000 2.112 503 E HA -0.075 4.274 4.350 -0.001 0.000 0.190 503 E C 2.119 178.701 176.600 -0.029 0.000 0.979 503 E CA 1.032 57.408 56.400 -0.039 0.000 0.814 503 E CB -0.020 29.661 29.700 -0.032 0.000 0.762 503 E HN 0.500 nan 8.360 nan 0.000 0.460 504 A N 1.156 123.966 122.820 -0.018 0.000 1.897 504 A HA 0.012 4.331 4.320 -0.001 0.000 0.215 504 A C 2.304 179.884 177.584 -0.008 0.000 1.181 504 A CA 1.318 53.349 52.037 -0.011 0.000 0.620 504 A CB -0.451 18.546 19.000 -0.006 0.000 0.821 504 A HN 0.270 nan 8.150 nan 0.000 0.443 505 A N -0.254 122.561 122.820 -0.008 0.000 2.172 505 A HA 0.026 4.346 4.320 -0.001 0.000 0.216 505 A C 0.299 177.884 177.584 0.002 0.000 1.154 505 A CA 0.635 52.672 52.037 -0.000 0.000 0.701 505 A CB -0.499 18.503 19.000 0.003 0.000 0.789 505 A HN 0.403 nan 8.150 nan 0.000 0.465 506 D N -0.047 120.344 120.400 -0.014 0.000 2.425 506 D HA 0.231 4.870 4.640 -0.001 0.000 0.247 506 D C 1.621 177.927 176.300 0.010 0.000 1.147 506 D CA 1.015 55.004 54.000 -0.018 0.000 0.879 506 D CB 1.343 42.104 40.800 -0.065 0.000 1.179 506 D HN 0.416 nan 8.370 nan 0.000 0.456 507 T N -0.654 113.922 114.554 0.038 0.000 2.988 507 T HA 0.036 4.385 4.350 -0.001 0.000 0.240 507 T C 0.782 175.518 174.700 0.060 0.000 1.014 507 T CA -0.055 62.074 62.100 0.049 0.000 1.155 507 T CB 0.056 68.959 68.868 0.059 0.000 0.872 507 T HN 0.146 nan 8.240 nan 0.000 0.440 508 E N 3.059 123.315 120.200 0.093 0.000 2.266 508 E HA 0.469 4.818 4.350 -0.001 0.000 0.277 508 E C -2.523 174.140 176.600 0.104 0.000 1.018 508 E CA -2.030 54.435 56.400 0.109 0.000 0.840 508 E CB 1.110 30.906 29.700 0.161 0.000 1.082 508 E HN 0.572 nan 8.360 nan 0.000 0.395 509 P HA 0.032 nan 4.420 nan 0.000 0.269 509 P C 0.542 177.941 177.300 0.165 0.000 1.209 509 P CA -0.116 63.051 63.100 0.110 0.000 0.776 509 P CB 0.442 32.197 31.700 0.091 0.000 0.876 510 F N 3.224 123.192 119.950 0.029 0.000 2.126 510 F HA -0.204 4.322 4.527 -0.001 0.000 0.299 510 F C 2.263 178.157 175.800 0.157 0.000 1.096 510 F CA 2.133 60.165 58.000 0.053 0.000 1.255 510 F CB -0.902 38.087 39.000 -0.017 0.000 0.997 510 F HN 0.402 nan 8.300 nan 0.000 0.479 511 A N 0.364 123.218 122.820 0.056 0.000 1.927 511 A HA -0.267 4.052 4.320 -0.001 0.000 0.220 511 A C 2.394 179.931 177.584 -0.079 0.000 1.185 511 A CA 2.957 54.960 52.037 -0.057 0.000 0.639 511 A CB -1.754 17.282 19.000 0.061 0.000 0.820 511 A HN 0.649 nan 8.150 nan 0.000 0.451 512 V N -3.221 116.697 119.914 0.007 0.000 2.535 512 V HA -0.122 3.997 4.120 -0.001 0.000 0.246 512 V C 2.062 178.181 176.094 0.041 0.000 1.045 512 V CA 1.615 63.926 62.300 0.019 0.000 1.058 512 V CB -1.003 30.844 31.823 0.039 0.000 0.689 512 V HN 0.693 nan 8.190 nan 0.000 0.461 513 W N 0.571 121.791 121.300 -0.134 0.000 2.331 513 W HA -0.210 4.450 4.660 -0.001 0.000 0.291 513 W C 2.038 178.426 176.519 -0.217 0.000 1.214 513 W CA 2.265 59.523 57.345 -0.145 0.000 1.228 513 W CB -0.194 29.169 29.460 -0.162 0.000 1.135 513 W HN 0.349 nan 8.180 nan 0.000 0.537 514 L N 1.721 122.906 121.223 -0.064 0.000 2.093 514 L HA -0.191 4.149 4.340 -0.001 0.000 0.208 514 L C 2.608 179.393 176.870 -0.142 0.000 1.085 514 L CA 2.703 57.432 54.840 -0.184 0.000 0.755 514 L CB -1.314 40.512 42.059 -0.388 0.000 0.904 514 L HN 0.370 nan 8.230 nan 0.000 0.435 515 E N -0.594 119.542 120.200 -0.108 0.000 2.110 515 E HA -0.277 4.072 4.350 -0.001 0.000 0.193 515 E C 1.757 178.291 176.600 -0.110 0.000 0.988 515 E CA 1.398 57.749 56.400 -0.080 0.000 0.804 515 E CB -0.481 29.185 29.700 -0.056 0.000 0.745 515 E HN 0.517 nan 8.360 nan 0.000 0.458 516 K N -0.175 120.141 120.400 -0.141 0.000 2.442 516 K HA -0.066 4.253 4.320 -0.001 0.000 0.198 516 K C 0.079 176.467 176.600 -0.354 0.000 1.042 516 K CA 0.823 56.983 56.287 -0.211 0.000 0.958 516 K CB 0.001 32.368 32.500 -0.223 0.000 0.766 516 K HN 0.351 nan 8.250 nan 0.000 0.474 517 H N -1.082 117.685 119.070 -0.505 0.000 2.676 517 H HA 0.311 4.866 4.556 -0.001 0.000 0.238 517 H C -0.091 175.096 175.328 -0.234 0.000 1.276 517 H CA -0.683 55.078 56.048 -0.479 0.000 0.983 517 H CB 0.097 29.345 29.762 -0.857 0.000 2.000 517 H HN 0.111 nan 8.280 nan 0.000 0.584 518 A N 0.000 122.787 122.820 -0.055 0.000 2.254 518 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 518 A CA 0.000 52.042 52.037 0.008 0.000 0.836 518 A CB 0.000 18.988 19.000 -0.019 0.000 0.831 518 A HN 0.000 nan 8.150 nan 0.000 0.486