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 5gep_1_A DATA FIRST_RESID 81 DATA SEQUENCE LLRCRLPGGV ITTKQWQAID KFAGENTIYG SIRLTNRQTF QFHGILXXXX DATA SEQUENCE XPVHQMLHSV GLDALXXXND MNRNVLCTSN PYESQLHAEA YEWAKKISEH DATA SEQUENCE LLPXXXXXXX XXXXXXXXXX XXXXXXXXXT YLPRKFKTTV VIPPQNDIDL DATA SEQUENCE HANDMNFVAI AENGKLVGFN LLVGGGLSIE HGNKKTYART ASEFGYLPLE DATA SEQUENCE HTLAVAEAVV TTQRDWGNRT DRKNAKTKYT LERVGVETFK AEVERRAGIK DATA SEQUENCE FEPIRPYEFT GRGDRIGWVK GIDDNWHLTL FIENGRILDY PARPLKTGLL DATA SEQUENCE EIAKIHKGDF RITANQNLII AGVPESEKAK IEKIAKESGL MNAVTPQREN DATA SEQUENCE SMACVSFPTC PLAMAEAERF LPSFIDNIDN LMAKHGVSDE HIVMRVTGCP DATA SEQUENCE NGCGRAMLAE VGLVGKAPGR YNLHLGGNRI GTRIPRMYKE NITEPEILAS DATA SEQUENCE LDELIGRWAK EREAGEGFGD FTVRAGIIRP VLDPARDLWD 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 81 L HA 0.000 nan 4.340 nan 0.000 0.249 81 L C 0.000 176.903 176.870 0.055 0.000 1.165 81 L CA 0.000 54.895 54.840 0.091 0.000 0.813 81 L CB 0.000 42.114 42.059 0.093 0.000 0.961 82 L N 4.511 125.766 121.223 0.053 0.000 2.346 82 L HA 0.726 5.066 4.340 -0.000 0.000 0.274 82 L C -0.698 176.106 176.870 -0.109 0.000 1.007 82 L CA -0.095 54.754 54.840 0.014 0.000 0.818 82 L CB 1.763 43.858 42.059 0.059 0.000 1.284 82 L HN 0.711 nan 8.230 nan 0.000 0.424 83 R N 3.787 124.193 120.500 -0.156 0.000 2.574 83 R HA 0.505 4.845 4.340 -0.000 0.000 0.288 83 R C -1.542 174.578 176.300 -0.299 0.000 1.004 83 R CA -0.567 55.352 56.100 -0.302 0.000 0.895 83 R CB 1.583 31.751 30.300 -0.219 0.000 1.191 83 R HN 0.817 nan 8.270 nan 0.000 0.444 84 C N 2.674 121.658 119.300 -0.527 0.000 2.382 84 C HA 0.442 4.901 4.460 -0.000 0.000 0.363 84 C C 0.326 175.178 174.990 -0.230 0.000 1.213 84 C CA -0.478 58.317 59.018 -0.371 0.000 2.363 84 C CB 0.703 28.113 27.740 -0.550 0.000 2.397 84 C HN 0.838 nan 8.230 nan 0.000 0.573 85 R N 2.968 123.408 120.500 -0.099 0.000 2.196 85 R HA 0.544 4.884 4.340 -0.000 0.000 0.340 85 R C -1.357 174.939 176.300 -0.006 0.000 1.043 85 R CA -0.323 55.751 56.100 -0.044 0.000 0.883 85 R CB 0.268 30.560 30.300 -0.012 0.000 1.078 85 R HN 0.632 nan 8.270 nan 0.000 0.462 86 L N 8.037 129.266 121.223 0.010 0.000 2.470 86 L HA 0.386 4.726 4.340 -0.000 0.000 0.256 86 L C -2.360 174.576 176.870 0.110 0.000 1.357 86 L CA -2.068 52.821 54.840 0.082 0.000 0.902 86 L CB 1.641 43.762 42.059 0.103 0.000 1.121 86 L HN 0.542 nan 8.230 nan 0.000 0.507 87 P HA 0.139 nan 4.420 nan 0.000 0.262 87 P C 0.942 178.418 177.300 0.293 0.000 1.182 87 P CA 1.203 64.386 63.100 0.137 0.000 0.761 87 P CB 0.821 32.551 31.700 0.050 0.000 0.795 88 G N 3.172 112.112 108.800 0.232 0.000 2.175 88 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.265 88 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.265 88 G C 0.913 175.920 174.900 0.179 0.000 0.979 88 G CA 0.570 45.833 45.100 0.272 0.000 0.663 88 G HN 1.048 nan 8.290 nan 0.000 0.533 89 G N -2.299 106.594 108.800 0.154 0.000 2.166 89 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.260 89 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.260 89 G C 0.452 175.421 174.900 0.116 0.000 0.986 89 G CA 0.764 45.940 45.100 0.127 0.000 0.683 89 G HN 1.682 nan 8.290 nan 0.000 0.527 90 V N 1.191 121.150 119.914 0.076 0.000 2.455 90 V HA 0.615 4.735 4.120 -0.000 0.000 0.273 90 V C 0.649 176.802 176.094 0.099 0.000 1.045 90 V CA 0.069 62.366 62.300 -0.004 0.000 0.976 90 V CB 1.573 33.222 31.823 -0.290 0.000 0.993 90 V HN 0.442 nan 8.190 nan 0.000 0.475 91 I N 4.733 125.381 120.570 0.130 0.000 2.533 91 I HA 0.532 4.702 4.170 -0.000 0.000 0.290 91 I C 0.547 176.711 176.117 0.079 0.000 1.056 91 I CA -0.264 61.136 61.300 0.165 0.000 1.057 91 I CB 2.451 40.630 38.000 0.298 0.000 1.240 91 I HN 0.781 nan 8.210 nan 0.000 0.423 92 T N 1.614 116.190 114.554 0.037 0.000 2.766 92 T HA 0.136 4.486 4.350 -0.000 0.000 0.295 92 T C 1.289 175.925 174.700 -0.107 0.000 1.024 92 T CA 0.273 62.341 62.100 -0.053 0.000 1.018 92 T CB 1.136 69.986 68.868 -0.030 0.000 1.002 92 T HN 0.780 nan 8.240 nan 0.000 0.532 93 T N -1.334 113.082 114.554 -0.231 0.000 2.951 93 T HA -0.045 4.305 4.350 -0.000 0.000 0.268 93 T C 1.808 176.492 174.700 -0.026 0.000 1.073 93 T CA 1.010 62.956 62.100 -0.256 0.000 1.134 93 T CB -0.344 68.344 68.868 -0.300 0.000 0.884 93 T HN 0.723 nan 8.240 nan 0.000 0.479 94 K N 1.327 121.711 120.400 -0.026 0.000 2.025 94 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 94 K C 2.551 179.167 176.600 0.027 0.000 1.049 94 K CA 1.261 57.552 56.287 0.006 0.000 0.933 94 K CB -0.240 32.256 32.500 -0.007 0.000 0.714 94 K HN 0.426 nan 8.250 nan 0.000 0.438 95 Q N -0.716 119.102 119.800 0.030 0.000 2.119 95 Q HA -0.175 4.165 4.340 -0.000 0.000 0.201 95 Q C 1.812 177.815 176.000 0.005 0.000 0.972 95 Q CA 1.311 57.129 55.803 0.026 0.000 0.847 95 Q CB -0.263 28.505 28.738 0.051 0.000 0.903 95 Q HN 0.521 nan 8.270 nan 0.000 0.433 96 W N 1.734 122.980 121.300 -0.091 0.000 2.363 96 W HA -0.192 4.468 4.660 -0.000 0.000 0.296 96 W C 1.434 177.937 176.519 -0.027 0.000 1.212 96 W CA 1.510 58.816 57.345 -0.066 0.000 1.260 96 W CB 0.077 29.528 29.460 -0.014 0.000 1.131 96 W HN 0.270 nan 8.180 nan 0.000 0.530 97 Q N -0.051 119.820 119.800 0.118 0.000 2.119 97 Q HA -0.123 4.217 4.340 -0.000 0.000 0.201 97 Q C 2.483 178.472 176.000 -0.018 0.000 0.972 97 Q CA 1.822 57.666 55.803 0.069 0.000 0.847 97 Q CB -0.465 28.326 28.738 0.088 0.000 0.903 97 Q HN 0.202 nan 8.270 nan 0.000 0.433 98 A N 1.177 123.980 122.820 -0.029 0.000 1.968 98 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 98 A C 2.048 179.613 177.584 -0.031 0.000 1.169 98 A CA 1.125 53.153 52.037 -0.015 0.000 0.638 98 A CB -0.660 18.340 19.000 0.000 0.000 0.812 98 A HN 0.554 nan 8.150 nan 0.000 0.446 99 I N -2.529 117.943 120.570 -0.162 0.000 2.584 99 I HA -0.018 4.151 4.170 -0.000 0.000 0.255 99 I C 1.819 177.865 176.117 -0.119 0.000 1.145 99 I CA 1.982 63.195 61.300 -0.144 0.000 1.462 99 I CB -0.386 37.242 38.000 -0.620 0.000 1.102 99 I HN 0.234 nan 8.210 nan 0.000 0.433 100 D N 1.702 121.915 120.400 -0.310 0.000 2.117 100 D HA -0.276 4.364 4.640 -0.000 0.000 0.197 100 D C 2.289 178.563 176.300 -0.043 0.000 0.987 100 D CA 1.653 55.533 54.000 -0.200 0.000 0.829 100 D CB -0.037 40.669 40.800 -0.157 0.000 0.961 100 D HN 0.352 nan 8.370 nan 0.000 0.460 101 K N -0.838 119.548 120.400 -0.024 0.000 2.002 101 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 101 K C 2.116 178.692 176.600 -0.040 0.000 1.048 101 K CA 1.233 57.511 56.287 -0.015 0.000 0.930 101 K CB -0.482 32.019 32.500 0.003 0.000 0.714 101 K HN 0.207 nan 8.250 nan 0.000 0.438 102 F N 1.389 121.249 119.950 -0.150 0.000 2.069 102 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 102 F C 2.131 177.742 175.800 -0.315 0.000 1.113 102 F CA 1.789 59.626 58.000 -0.272 0.000 1.214 102 F CB -0.606 38.148 39.000 -0.410 0.000 0.978 102 F HN 0.164 nan 8.300 nan 0.000 0.474 103 A N 0.148 122.983 122.820 0.026 0.000 1.917 103 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 103 A C 2.462 180.027 177.584 -0.032 0.000 1.182 103 A CA 2.036 54.146 52.037 0.122 0.000 0.633 103 A CB -1.820 17.374 19.000 0.323 0.000 0.819 103 A HN 0.541 nan 8.150 nan 0.000 0.448 104 G N -0.773 107.988 108.800 -0.064 0.000 2.396 104 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.214 104 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.214 104 G C 1.320 176.135 174.900 -0.141 0.000 1.166 104 G CA 0.836 45.890 45.100 -0.077 0.000 0.793 104 G HN 0.671 nan 8.290 nan 0.000 0.533 105 E N -0.132 119.939 120.200 -0.216 0.000 2.472 105 E HA 0.095 4.444 4.350 -0.000 0.000 0.196 105 E C 0.412 176.798 176.600 -0.358 0.000 1.033 105 E CA 0.127 56.383 56.400 -0.239 0.000 0.886 105 E CB 0.255 29.834 29.700 -0.202 0.000 0.944 105 E HN 0.471 nan 8.360 nan 0.000 0.492 106 N N 0.338 118.696 118.700 -0.570 0.000 2.305 106 N HA 0.027 4.767 4.740 -0.000 0.000 0.248 106 N C -0.883 174.331 175.510 -0.494 0.000 1.290 106 N CA -0.017 52.620 53.050 -0.689 0.000 0.873 106 N CB 1.515 39.192 38.487 -1.350 0.000 1.261 106 N HN 0.002 nan 8.380 nan 0.000 0.504 107 T N -3.306 111.081 114.554 -0.277 0.000 2.903 107 T HA 0.481 4.831 4.350 -0.000 0.000 0.299 107 T C 0.918 175.601 174.700 -0.030 0.000 1.093 107 T CA -0.792 61.266 62.100 -0.070 0.000 1.002 107 T CB 1.295 70.205 68.868 0.069 0.000 1.127 107 T HN -0.107 nan 8.240 nan 0.000 0.488 108 I N -0.028 120.547 120.570 0.008 0.000 2.179 108 I HA -0.109 4.061 4.170 -0.000 0.000 0.242 108 I C 1.839 177.834 176.117 -0.203 0.000 1.088 108 I CA 1.487 62.700 61.300 -0.146 0.000 1.357 108 I CB -0.378 37.454 38.000 -0.279 0.000 1.051 108 I HN 0.686 nan 8.210 nan 0.000 0.409 109 Y N 0.786 121.135 120.300 0.082 0.000 2.457 109 Y HA 0.104 4.654 4.550 -0.000 0.000 0.292 109 Y C 2.086 178.025 175.900 0.066 0.000 1.125 109 Y CA 0.662 58.816 58.100 0.090 0.000 1.254 109 Y CB -0.566 37.981 38.460 0.145 0.000 1.012 109 Y HN 0.318 nan 8.280 nan 0.000 0.555 110 G N 0.542 109.444 108.800 0.170 0.000 2.180 110 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.263 110 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.263 110 G C 0.305 175.274 174.900 0.115 0.000 0.989 110 G CA 0.505 45.659 45.100 0.090 0.000 0.692 110 G HN 0.490 nan 8.290 nan 0.000 0.526 111 S N -0.959 114.856 115.700 0.192 0.000 2.722 111 S HA 0.833 5.303 4.470 -0.000 0.000 0.292 111 S C -0.052 174.646 174.600 0.163 0.000 1.135 111 S CA -1.021 57.272 58.200 0.154 0.000 1.003 111 S CB 2.439 65.748 63.200 0.182 0.000 1.067 111 S HN 0.504 nan 8.310 nan 0.000 0.546 112 I N 1.149 121.770 120.570 0.086 0.000 2.436 112 I HA 0.467 4.637 4.170 -0.000 0.000 0.289 112 I C -0.452 175.688 176.117 0.039 0.000 1.010 112 I CA -0.650 60.648 61.300 -0.005 0.000 1.098 112 I CB 1.918 39.844 38.000 -0.123 0.000 1.266 112 I HN 0.552 nan 8.210 nan 0.000 0.434 113 R N 7.341 127.849 120.500 0.012 0.000 2.337 113 R HA 0.534 4.874 4.340 -0.000 0.000 0.319 113 R C -1.509 174.819 176.300 0.046 0.000 0.954 113 R CA -0.436 55.698 56.100 0.057 0.000 0.840 113 R CB 0.601 30.968 30.300 0.111 0.000 1.164 113 R HN 0.562 nan 8.270 nan 0.000 0.472 114 L N 3.919 125.185 121.223 0.071 0.000 2.331 114 L HA 0.391 4.731 4.340 -0.000 0.000 0.278 114 L C 0.814 177.706 176.870 0.037 0.000 1.106 114 L CA -0.483 54.406 54.840 0.080 0.000 0.824 114 L CB 1.158 43.263 42.059 0.077 0.000 1.142 114 L HN 0.775 nan 8.230 nan 0.000 0.443 115 T N -1.670 112.896 114.554 0.020 0.000 2.936 115 T HA 0.203 4.553 4.350 -0.000 0.000 0.282 115 T C 0.751 175.449 174.700 -0.003 0.000 1.003 115 T CA -0.869 61.230 62.100 -0.002 0.000 1.005 115 T CB 1.216 70.065 68.868 -0.031 0.000 1.097 115 T HN 0.638 nan 8.240 nan 0.000 0.532 116 N N 0.012 118.706 118.700 -0.010 0.000 2.501 116 N HA -0.001 4.739 4.740 -0.000 0.000 0.195 116 N C 0.741 176.240 175.510 -0.020 0.000 1.213 116 N CA -0.047 52.995 53.050 -0.013 0.000 0.864 116 N CB -0.269 38.210 38.487 -0.014 0.000 0.999 116 N HN 0.609 nan 8.380 nan 0.000 0.454 117 R N 0.132 120.620 120.500 -0.021 0.000 2.652 117 R HA 0.191 4.531 4.340 -0.000 0.000 0.372 117 R C -0.410 175.886 176.300 -0.008 0.000 1.104 117 R CA -0.191 55.895 56.100 -0.023 0.000 1.072 117 R CB 0.060 30.338 30.300 -0.037 0.000 1.367 117 R HN 0.280 nan 8.270 nan 0.000 0.577 118 Q N -0.128 119.677 119.800 0.008 0.000 2.478 118 Q HA -0.205 4.135 4.340 -0.000 0.000 0.286 118 Q C -0.213 175.817 176.000 0.050 0.000 1.299 118 Q CA 1.295 57.120 55.803 0.037 0.000 0.826 118 Q CB -1.334 27.433 28.738 0.048 0.000 1.199 118 Q HN 0.327 nan 8.270 nan 0.000 0.451 119 T N -1.400 113.166 114.554 0.020 0.000 2.654 119 T HA 0.814 5.164 4.350 -0.000 0.000 0.289 119 T C -1.611 173.089 174.700 0.000 0.000 1.062 119 T CA -0.494 61.593 62.100 -0.022 0.000 1.041 119 T CB 1.184 69.942 68.868 -0.183 0.000 1.417 119 T HN 0.298 nan 8.240 nan 0.000 0.510 120 F N -0.065 119.811 119.950 -0.124 0.000 2.611 120 F HA 0.891 5.418 4.527 -0.000 0.000 0.324 120 F C -0.678 174.915 175.800 -0.344 0.000 1.061 120 F CA -1.030 56.837 58.000 -0.222 0.000 0.954 120 F CB 1.397 40.218 39.000 -0.298 0.000 1.301 120 F HN 0.463 nan 8.300 nan 0.000 0.482 121 Q N 0.939 120.593 119.800 -0.242 0.000 2.379 121 Q HA 0.501 4.841 4.340 -0.000 0.000 0.278 121 Q C -1.954 173.763 176.000 -0.472 0.000 1.068 121 Q CA -0.779 54.774 55.803 -0.416 0.000 0.816 121 Q CB 3.145 31.647 28.738 -0.393 0.000 1.387 121 Q HN 0.598 nan 8.270 nan 0.000 0.413 122 F N 0.479 120.347 119.950 -0.136 0.000 2.425 122 F HA 0.426 4.953 4.527 -0.000 0.000 0.331 122 F C -0.039 175.635 175.800 -0.209 0.000 1.085 122 F CA -0.419 57.551 58.000 -0.050 0.000 1.028 122 F CB 1.229 40.308 39.000 0.131 0.000 1.177 122 F HN 0.452 nan 8.300 nan 0.000 0.487 123 H N -0.453 118.818 119.070 0.334 0.000 2.547 123 H HA 0.514 5.070 4.556 0.000 0.000 0.342 123 H C 0.237 175.793 175.328 0.380 0.000 1.048 123 H CA -0.487 55.704 56.048 0.237 0.000 1.204 123 H CB 1.671 31.435 29.762 0.003 0.000 1.493 123 H HN 0.846 nan 8.280 nan 0.000 0.511 124 G N 3.764 112.821 108.800 0.429 0.000 2.368 124 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.290 124 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.290 124 G C -0.174 174.850 174.900 0.206 0.000 1.098 124 G CA -0.436 44.862 45.100 0.330 0.000 1.073 124 G HN 0.595 nan 8.290 nan 0.000 0.511 125 I N 0.606 121.289 120.570 0.189 0.000 2.517 125 I HA 0.119 4.289 4.170 -0.000 0.000 0.285 125 I C 1.152 177.314 176.117 0.074 0.000 1.106 125 I CA -0.767 60.616 61.300 0.138 0.000 1.402 125 I CB 0.471 38.582 38.000 0.186 0.000 1.399 125 I HN 0.107 nan 8.210 nan 0.000 0.535 133 V N -1.338 118.471 119.914 -0.175 0.000 2.515 133 V HA -0.185 3.935 4.120 -0.000 0.000 0.250 133 V C 2.047 177.920 176.094 -0.369 0.000 1.058 133 V CA 2.062 64.074 62.300 -0.480 0.000 1.064 133 V CB -1.100 30.372 31.823 -0.584 0.000 0.675 133 V HN 0.287 nan 8.190 nan 0.000 0.461 134 H N 0.749 119.788 119.070 -0.051 0.000 2.428 134 H HA 0.021 4.577 4.556 -0.000 0.000 0.296 134 H C 2.387 177.734 175.328 0.032 0.000 1.062 134 H CA 1.956 58.000 56.048 -0.006 0.000 1.350 134 H CB -0.026 29.732 29.762 -0.006 0.000 1.403 134 H HN 0.593 nan 8.280 nan 0.000 0.533 135 Q N -0.483 119.383 119.800 0.109 0.000 2.187 135 Q HA -0.043 4.297 4.340 -0.000 0.000 0.199 135 Q C 2.380 178.450 176.000 0.117 0.000 0.957 135 Q CA 0.417 56.279 55.803 0.099 0.000 0.857 135 Q CB 0.220 28.989 28.738 0.052 0.000 0.929 135 Q HN 0.237 nan 8.270 nan 0.000 0.453 136 M N 0.784 120.410 119.600 0.043 0.000 2.123 136 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 136 M C 1.859 178.178 176.300 0.032 0.000 1.069 136 M CA 1.520 56.831 55.300 0.019 0.000 1.133 136 M CB -0.336 32.221 32.600 -0.071 0.000 1.356 136 M HN 0.255 nan 8.290 nan 0.000 0.415 137 L N -0.508 120.731 121.223 0.025 0.000 1.976 137 L HA -0.285 4.055 4.340 -0.000 0.000 0.209 137 L C 2.880 179.812 176.870 0.103 0.000 1.071 137 L CA 1.870 56.755 54.840 0.076 0.000 0.746 137 L CB -1.523 40.592 42.059 0.092 0.000 0.890 137 L HN 0.469 nan 8.230 nan 0.000 0.432 138 H N 0.696 119.797 119.070 0.051 0.000 2.357 138 H HA -0.202 4.354 4.556 -0.000 0.000 0.296 138 H C 2.280 177.629 175.328 0.034 0.000 1.108 138 H CA 2.183 58.258 56.048 0.046 0.000 1.273 138 H CB 0.031 29.822 29.762 0.048 0.000 1.367 138 H HN 0.450 nan 8.280 nan 0.000 0.498 139 S N 0.524 116.285 115.700 0.101 0.000 2.399 139 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 139 S C 2.141 176.719 174.600 -0.037 0.000 1.022 139 S CA 1.453 59.675 58.200 0.037 0.000 0.983 139 S CB -0.950 62.308 63.200 0.097 0.000 0.803 139 S HN 0.388 nan 8.310 nan 0.000 0.480 140 V N -2.204 117.698 119.914 -0.020 0.000 3.596 140 V HA 0.717 4.837 4.120 -0.000 0.000 0.289 140 V C 1.414 177.490 176.094 -0.030 0.000 1.336 140 V CA 0.038 62.329 62.300 -0.015 0.000 1.137 140 V CB -0.902 30.927 31.823 0.010 0.000 0.966 140 V HN 0.743 nan 8.190 nan 0.000 0.428 141 G N 0.110 108.860 108.800 -0.084 0.000 2.175 141 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.244 141 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.244 141 G C -0.311 174.577 174.900 -0.020 0.000 0.982 141 G CA 0.187 45.238 45.100 -0.082 0.000 0.641 141 G HN 0.432 nan 8.290 nan 0.000 0.527 142 L N 1.627 122.863 121.223 0.022 0.000 2.379 142 L HA 0.699 5.039 4.340 -0.000 0.000 0.269 142 L C 0.189 177.108 176.870 0.080 0.000 1.084 142 L CA -0.595 54.288 54.840 0.072 0.000 0.802 142 L CB 1.402 43.536 42.059 0.126 0.000 1.175 142 L HN 0.509 nan 8.230 nan 0.000 0.448 143 D N 0.644 121.090 120.400 0.076 0.000 2.738 143 D HA 0.623 5.263 4.640 -0.000 0.000 0.237 143 D C -1.033 175.309 176.300 0.071 0.000 1.123 143 D CA -0.614 53.438 54.000 0.088 0.000 0.856 143 D CB 1.614 42.454 40.800 0.066 0.000 1.552 143 D HN 0.637 nan 8.370 nan 0.000 0.480 144 A N 3.071 125.964 122.820 0.122 0.000 2.276 144 A HA 0.491 4.811 4.320 -0.000 0.000 0.300 144 A C 0.554 178.174 177.584 0.059 0.000 1.235 144 A CA -0.778 51.319 52.037 0.101 0.000 0.867 144 A CB -0.034 19.113 19.000 0.245 0.000 1.137 144 A HN 0.687 nan 8.150 nan 0.000 0.527 150 D N 1.825 122.276 120.400 0.085 0.000 2.325 150 D HA 0.215 4.855 4.640 -0.000 0.000 0.251 150 D C 0.681 176.988 176.300 0.013 0.000 1.196 150 D CA -0.137 53.885 54.000 0.037 0.000 0.866 150 D CB 0.678 41.489 40.800 0.020 0.000 1.101 150 D HN 0.104 nan 8.370 nan 0.000 0.476 151 M N 2.768 122.344 119.600 -0.039 0.000 2.608 151 M HA 0.082 4.562 4.480 -0.000 0.000 0.224 151 M C 0.120 176.426 176.300 0.010 0.000 1.204 151 M CA 0.027 55.292 55.300 -0.058 0.000 0.984 151 M CB -1.062 31.430 32.600 -0.180 0.000 1.691 151 M HN 0.378 nan 8.290 nan 0.000 0.469 152 N N 0.980 119.691 118.700 0.019 0.000 2.421 152 N HA 0.276 5.015 4.740 -0.000 0.000 0.285 152 N C -0.347 175.179 175.510 0.026 0.000 1.027 152 N CA -0.279 52.800 53.050 0.047 0.000 0.918 152 N CB 1.794 40.304 38.487 0.039 0.000 1.152 152 N HN 0.128 nan 8.380 nan 0.000 0.485 153 R N 1.364 121.879 120.500 0.026 0.000 2.705 153 R HA 0.246 4.586 4.340 -0.000 0.000 0.246 153 R C -0.230 176.069 176.300 -0.002 0.000 1.142 153 R CA -0.786 55.313 56.100 -0.003 0.000 1.114 153 R CB 0.186 30.475 30.300 -0.019 0.000 1.256 153 R HN 0.567 nan 8.270 nan 0.000 0.536 154 N N -0.048 118.640 118.700 -0.019 0.000 2.454 154 N HA -0.009 4.731 4.740 -0.000 0.000 0.260 154 N C -0.887 174.624 175.510 0.003 0.000 1.218 154 N CA 0.180 53.223 53.050 -0.011 0.000 0.904 154 N CB 0.610 39.081 38.487 -0.027 0.000 1.065 154 N HN 0.162 nan 8.380 nan 0.000 0.462 155 V N 5.190 125.116 119.914 0.019 0.000 2.455 155 V HA 0.186 4.306 4.120 -0.000 0.000 0.273 155 V C 0.535 176.650 176.094 0.036 0.000 1.045 155 V CA -0.470 61.846 62.300 0.028 0.000 0.976 155 V CB 0.154 31.997 31.823 0.034 0.000 0.993 155 V HN 0.464 nan 8.190 nan 0.000 0.475 156 L N 4.347 125.585 121.223 0.025 0.000 2.421 156 L HA 0.662 5.002 4.340 -0.000 0.000 0.263 156 L C -0.040 176.864 176.870 0.057 0.000 1.122 156 L CA -0.287 54.575 54.840 0.036 0.000 0.804 156 L CB 1.292 43.354 42.059 0.005 0.000 1.150 156 L HN 0.679 nan 8.230 nan 0.000 0.457 157 C N 0.376 119.729 119.300 0.087 0.000 2.701 157 C HA 0.356 4.816 4.460 -0.000 0.000 0.336 157 C C 0.307 175.373 174.990 0.126 0.000 1.123 157 C CA -0.395 58.690 59.018 0.112 0.000 1.326 157 C CB 1.323 29.160 27.740 0.162 0.000 1.833 157 C HN 0.892 nan 8.230 nan 0.000 0.473 158 T N 5.130 119.752 114.554 0.114 0.000 2.765 158 T HA -0.000 4.350 4.350 -0.000 0.000 0.275 158 T C 1.357 176.158 174.700 0.168 0.000 1.007 158 T CA 0.866 63.030 62.100 0.106 0.000 1.175 158 T CB 0.595 69.532 68.868 0.115 0.000 0.993 158 T HN 0.861 nan 8.240 nan 0.000 0.510 159 S N 2.735 118.474 115.700 0.064 0.000 2.414 159 S HA -0.015 4.455 4.470 -0.000 0.000 0.227 159 S C 1.270 175.749 174.600 -0.202 0.000 1.022 159 S CA 0.346 58.534 58.200 -0.020 0.000 0.958 159 S CB 0.005 63.165 63.200 -0.067 0.000 0.797 159 S HN 0.695 nan 8.310 nan 0.000 0.493 160 N N 1.274 119.882 118.700 -0.153 0.000 2.711 160 N HA 0.261 5.001 4.740 -0.000 0.000 0.263 160 N C -3.165 172.237 175.510 -0.180 0.000 1.667 160 N CA -1.794 51.129 53.050 -0.211 0.000 0.785 160 N CB 0.864 39.232 38.487 -0.199 0.000 1.231 160 N HN 0.089 nan 8.380 nan 0.000 0.503 161 P HA -0.014 nan 4.420 nan 0.000 0.266 161 P C 0.592 177.858 177.300 -0.056 0.000 1.195 161 P CA -0.041 63.025 63.100 -0.056 0.000 0.768 161 P CB 0.910 32.668 31.700 0.097 0.000 0.838 162 Y N 0.475 120.830 120.300 0.092 0.000 2.256 162 Y HA -0.141 4.409 4.550 -0.000 0.000 0.288 162 Y C 1.812 177.750 175.900 0.064 0.000 1.155 162 Y CA 1.355 59.499 58.100 0.073 0.000 1.203 162 Y CB -0.375 38.127 38.460 0.071 0.000 0.980 162 Y HN 0.432 nan 8.280 nan 0.000 0.530 163 E N 0.295 120.623 120.200 0.212 0.000 2.026 163 E HA 0.159 4.509 4.350 -0.000 0.000 0.253 163 E C 0.711 177.387 176.600 0.128 0.000 1.056 163 E CA -0.027 56.460 56.400 0.144 0.000 0.927 163 E CB 0.261 30.039 29.700 0.131 0.000 1.172 163 E HN 0.156 nan 8.360 nan 0.000 0.445 164 S N 3.081 118.849 115.700 0.115 0.000 2.428 164 S HA -0.281 4.189 4.470 -0.000 0.000 0.240 164 S C 1.816 176.502 174.600 0.143 0.000 1.036 164 S CA 1.645 59.921 58.200 0.126 0.000 1.009 164 S CB -0.151 63.118 63.200 0.115 0.000 0.803 164 S HN 0.726 nan 8.310 nan 0.000 0.486 165 Q N 0.955 120.824 119.800 0.115 0.000 2.230 165 Q HA 0.014 4.354 4.340 -0.000 0.000 0.202 165 Q C 1.928 178.007 176.000 0.131 0.000 0.963 165 Q CA 0.986 56.856 55.803 0.112 0.000 0.866 165 Q CB -0.613 28.173 28.738 0.079 0.000 0.931 165 Q HN 0.485 nan 8.270 nan 0.000 0.452 166 L N 0.561 121.867 121.223 0.138 0.000 2.201 166 L HA -0.141 4.198 4.340 -0.000 0.000 0.212 166 L C 2.837 179.806 176.870 0.165 0.000 1.105 166 L CA 1.107 56.031 54.840 0.139 0.000 0.775 166 L CB -0.802 41.336 42.059 0.133 0.000 0.913 166 L HN 0.414 nan 8.230 nan 0.000 0.440 167 H N 0.714 119.849 119.070 0.109 0.000 2.319 167 H HA -0.241 4.315 4.556 -0.000 0.000 0.297 167 H C 2.117 177.544 175.328 0.166 0.000 1.097 167 H CA 1.867 57.985 56.048 0.116 0.000 1.285 167 H CB 0.315 30.111 29.762 0.058 0.000 1.368 167 H HN 0.348 nan 8.280 nan 0.000 0.495 168 A N 1.003 123.917 122.820 0.156 0.000 1.892 168 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 168 A C 2.374 180.020 177.584 0.102 0.000 1.188 168 A CA 2.137 54.260 52.037 0.144 0.000 0.631 168 A CB -0.559 18.530 19.000 0.148 0.000 0.822 168 A HN 0.671 nan 8.150 nan 0.000 0.447 169 E N -0.606 119.659 120.200 0.108 0.000 2.072 169 E HA 0.019 4.369 4.350 -0.000 0.000 0.190 169 E C 2.367 179.100 176.600 0.222 0.000 0.982 169 E CA 0.745 57.235 56.400 0.150 0.000 0.803 169 E CB -0.294 29.512 29.700 0.177 0.000 0.755 169 E HN 0.604 nan 8.360 nan 0.000 0.453 170 A N 0.987 123.914 122.820 0.178 0.000 1.940 170 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 170 A C 2.064 179.720 177.584 0.119 0.000 1.176 170 A CA 1.468 53.632 52.037 0.211 0.000 0.631 170 A CB -0.712 18.378 19.000 0.151 0.000 0.814 170 A HN 0.416 nan 8.150 nan 0.000 0.446 171 Y N 0.425 120.623 120.300 -0.170 0.000 2.263 171 Y HA -0.113 4.437 4.550 -0.000 0.000 0.292 171 Y C 2.242 178.088 175.900 -0.091 0.000 1.130 171 Y CA 1.850 59.828 58.100 -0.205 0.000 1.179 171 Y CB -0.336 37.883 38.460 -0.401 0.000 0.998 171 Y HN 0.503 nan 8.280 nan 0.000 0.532 172 E N -0.791 119.239 120.200 -0.283 0.000 2.110 172 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 172 E C 1.845 178.169 176.600 -0.460 0.000 0.988 172 E CA 1.674 57.818 56.400 -0.427 0.000 0.804 172 E CB -0.555 28.967 29.700 -0.296 0.000 0.745 172 E HN 0.650 nan 8.360 nan 0.000 0.458 173 W N 0.476 121.675 121.300 -0.168 0.000 2.388 173 W HA -0.027 4.633 4.660 -0.000 0.000 0.294 173 W C 2.548 178.925 176.519 -0.238 0.000 1.212 173 W CA 1.113 58.367 57.345 -0.152 0.000 1.271 173 W CB -0.203 29.258 29.460 0.002 0.000 1.126 173 W HN 0.177 nan 8.180 nan 0.000 0.535 174 A N 0.395 123.194 122.820 -0.036 0.000 1.883 174 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 174 A C 1.941 179.438 177.584 -0.145 0.000 1.186 174 A CA 2.057 54.046 52.037 -0.079 0.000 0.624 174 A CB -0.908 18.076 19.000 -0.027 0.000 0.822 174 A HN 0.304 nan 8.150 nan 0.000 0.444 175 K N -0.216 119.998 120.400 -0.310 0.000 2.152 175 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 175 K C 1.950 178.421 176.600 -0.215 0.000 1.048 175 K CA 1.672 57.772 56.287 -0.311 0.000 0.933 175 K CB -0.135 32.044 32.500 -0.535 0.000 0.721 175 K HN 0.467 nan 8.250 nan 0.000 0.447 176 K N 0.150 120.402 120.400 -0.247 0.000 2.116 176 K HA -0.021 4.299 4.320 -0.000 0.000 0.203 176 K C 2.083 178.646 176.600 -0.061 0.000 1.052 176 K CA 1.035 57.197 56.287 -0.209 0.000 0.952 176 K CB -0.008 32.242 32.500 -0.417 0.000 0.729 176 K HN 0.141 nan 8.250 nan 0.000 0.446 177 I N 0.705 121.255 120.570 -0.034 0.000 2.315 177 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 177 I C 2.592 178.747 176.117 0.062 0.000 1.117 177 I CA 0.862 62.176 61.300 0.023 0.000 1.404 177 I CB -0.238 37.724 38.000 -0.064 0.000 1.071 177 I HN 0.123 nan 8.210 nan 0.000 0.419 178 S N 0.712 116.418 115.700 0.011 0.000 2.351 178 S HA -0.260 4.210 4.470 -0.000 0.000 0.220 178 S C 1.950 176.559 174.600 0.015 0.000 1.035 178 S CA 1.932 60.139 58.200 0.013 0.000 1.031 178 S CB -0.242 62.950 63.200 -0.014 0.000 0.928 178 S HN 0.459 nan 8.310 nan 0.000 0.433 179 E N -0.972 119.228 120.200 0.000 0.000 2.150 179 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 179 E C 1.992 178.608 176.600 0.026 0.000 0.985 179 E CA 1.184 57.584 56.400 -0.001 0.000 0.814 179 E CB -0.204 29.482 29.700 -0.023 0.000 0.752 179 E HN 0.719 nan 8.360 nan 0.000 0.466 180 H N 0.586 119.635 119.070 -0.036 0.000 2.363 180 H HA 0.024 4.580 4.556 -0.000 0.000 0.301 180 H C 1.752 177.073 175.328 -0.012 0.000 1.074 180 H CA 1.164 57.200 56.048 -0.021 0.000 1.354 180 H CB 0.055 29.812 29.762 -0.009 0.000 1.397 180 H HN 0.045 nan 8.280 nan 0.000 0.516 181 L N 0.051 121.262 121.223 -0.019 0.000 2.478 181 L HA 0.010 4.350 4.340 -0.000 0.000 0.223 181 L C 0.196 177.016 176.870 -0.084 0.000 1.140 181 L CA -0.341 54.459 54.840 -0.068 0.000 0.842 181 L CB -0.103 41.976 42.059 0.033 0.000 0.953 181 L HN 0.178 nan 8.230 nan 0.000 0.452 182 L N 2.011 123.195 121.223 -0.065 0.000 2.499 182 L HA 0.134 4.474 4.340 -0.000 0.000 0.273 182 L C -1.128 175.700 176.870 -0.071 0.000 1.195 182 L CA -1.380 53.430 54.840 -0.050 0.000 0.882 182 L CB -0.304 41.736 42.059 -0.033 0.000 1.133 182 L HN -0.064 nan 8.230 nan 0.000 0.483 211 Y N 3.159 123.444 120.300 -0.025 0.000 2.454 211 Y HA 0.652 5.202 4.550 -0.000 0.000 0.345 211 Y C -0.230 175.669 175.900 -0.002 0.000 0.970 211 Y CA -1.285 56.809 58.100 -0.010 0.000 1.204 211 Y CB 0.231 38.690 38.460 -0.001 0.000 1.122 211 Y HN 0.773 nan 8.280 nan 0.000 0.514 212 L N 8.920 129.841 121.223 -0.503 0.000 2.452 212 L HA 0.205 4.545 4.340 -0.000 0.000 0.267 212 L C -1.330 175.283 176.870 -0.428 0.000 1.188 212 L CA -1.520 53.113 54.840 -0.346 0.000 0.821 212 L CB 0.590 42.514 42.059 -0.224 0.000 1.102 212 L HN 0.522 nan 8.230 nan 0.000 0.470 213 P HA -0.072 nan 4.420 nan 0.000 0.215 213 P C -0.047 177.228 177.300 -0.042 0.000 1.157 213 P CA 1.161 64.251 63.100 -0.018 0.000 0.863 213 P CB 0.278 32.024 31.700 0.076 0.000 0.787 214 R N -1.068 119.422 120.500 -0.017 0.000 2.905 214 R HA 0.328 4.668 4.340 -0.000 0.000 0.260 214 R C -0.733 175.571 176.300 0.007 0.000 1.086 214 R CA -1.136 54.967 56.100 0.005 0.000 0.978 214 R CB 0.820 31.156 30.300 0.061 0.000 1.215 214 R HN -0.146 nan 8.270 nan 0.000 0.480 215 K N 0.926 121.331 120.400 0.009 0.000 2.401 215 K HA 0.147 4.467 4.320 -0.000 0.000 0.278 215 K C -0.845 175.805 176.600 0.084 0.000 1.018 215 K CA 0.166 56.470 56.287 0.027 0.000 0.981 215 K CB 0.385 32.887 32.500 0.003 0.000 0.933 215 K HN 0.242 nan 8.250 nan 0.000 0.477 216 F N 2.409 122.321 119.950 -0.062 0.000 2.404 216 F HA 0.302 4.829 4.527 -0.000 0.000 0.354 216 F C -0.236 175.535 175.800 -0.048 0.000 1.122 216 F CA -0.529 57.439 58.000 -0.053 0.000 1.080 216 F CB 1.424 40.397 39.000 -0.045 0.000 1.131 216 F HN 0.456 nan 8.300 nan 0.000 0.471 217 K N 3.621 123.819 120.400 -0.336 0.000 2.244 217 K HA 0.587 4.907 4.320 -0.000 0.000 0.260 217 K C -0.876 175.570 176.600 -0.257 0.000 0.951 217 K CA -0.661 55.497 56.287 -0.216 0.000 0.826 217 K CB 1.894 34.274 32.500 -0.200 0.000 1.108 217 K HN 0.538 nan 8.250 nan 0.000 0.433 218 T N 1.012 115.512 114.554 -0.089 0.000 2.900 218 T HA 0.507 4.857 4.350 -0.000 0.000 0.295 218 T C -0.641 174.052 174.700 -0.013 0.000 1.044 218 T CA -0.841 61.238 62.100 -0.035 0.000 0.995 218 T CB 1.809 70.752 68.868 0.125 0.000 1.072 218 T HN 0.740 nan 8.240 nan 0.000 0.473 219 T N -1.496 113.052 114.554 -0.009 0.000 2.883 219 T HA 0.756 5.106 4.350 -0.000 0.000 0.301 219 T C -1.318 173.411 174.700 0.048 0.000 1.158 219 T CA -0.737 61.362 62.100 -0.002 0.000 1.007 219 T CB 1.430 70.261 68.868 -0.062 0.000 1.186 219 T HN 0.349 nan 8.240 nan 0.000 0.499 220 V N 2.097 122.029 119.914 0.030 0.000 2.407 220 V HA 0.575 4.695 4.120 -0.000 0.000 0.291 220 V C -0.346 175.788 176.094 0.065 0.000 1.018 220 V CA -0.674 61.638 62.300 0.021 0.000 0.842 220 V CB 1.408 33.227 31.823 -0.006 0.000 0.996 220 V HN 0.940 nan 8.190 nan 0.000 0.426 221 V N 5.699 125.667 119.914 0.090 0.000 2.547 221 V HA 0.574 4.694 4.120 -0.000 0.000 0.299 221 V C -0.182 176.039 176.094 0.211 0.000 1.040 221 V CA -0.661 61.717 62.300 0.130 0.000 0.913 221 V CB 2.128 34.033 31.823 0.137 0.000 0.992 221 V HN 0.681 nan 8.190 nan 0.000 0.449 222 I N 4.568 125.272 120.570 0.223 0.000 2.428 222 I HA 0.352 4.522 4.170 -0.000 0.000 0.279 222 I C -2.503 173.785 176.117 0.284 0.000 1.040 222 I CA -1.852 59.585 61.300 0.229 0.000 1.171 222 I CB 1.716 39.829 38.000 0.188 0.000 1.312 222 I HN 0.401 nan 8.210 nan 0.000 0.470 223 P HA -0.006 nan 4.420 nan 0.000 0.267 223 P C -1.984 175.481 177.300 0.275 0.000 1.201 223 P CA -0.592 62.688 63.100 0.299 0.000 0.775 223 P CB 0.091 31.850 31.700 0.098 0.000 0.854 224 P HA 0.086 nan 4.420 nan 0.000 0.254 224 P C -0.487 177.143 177.300 0.549 0.000 1.494 224 P CA 0.360 63.679 63.100 0.364 0.000 0.961 224 P CB 0.377 32.234 31.700 0.262 0.000 1.493 225 Q N 0.779 120.856 119.800 0.461 0.000 2.290 225 Q HA 0.298 4.638 4.340 -0.000 0.000 0.259 225 Q C 0.034 176.116 176.000 0.137 0.000 0.941 225 Q CA -0.328 55.641 55.803 0.278 0.000 0.912 225 Q CB 0.843 29.634 28.738 0.088 0.000 1.244 225 Q HN -0.148 nan 8.270 nan 0.000 0.441 226 N N 2.057 120.696 118.700 -0.101 0.000 2.538 226 N HA -0.023 4.717 4.740 -0.000 0.000 0.291 226 N C 0.019 175.408 175.510 -0.201 0.000 1.323 226 N CA -0.103 52.685 53.050 -0.436 0.000 0.934 226 N CB 0.453 38.409 38.487 -0.885 0.000 1.255 226 N HN 0.566 nan 8.380 nan 0.000 0.509 227 D N -0.099 120.244 120.400 -0.095 0.000 2.178 227 D HA -0.185 4.455 4.640 -0.000 0.000 0.201 227 D C 1.561 177.820 176.300 -0.069 0.000 0.980 227 D CA 0.721 54.684 54.000 -0.061 0.000 0.842 227 D CB -0.198 40.578 40.800 -0.040 0.000 0.948 227 D HN 0.524 nan 8.370 nan 0.000 0.472 228 I N -1.965 118.555 120.570 -0.083 0.000 3.444 228 I HA 0.087 4.257 4.170 -0.000 0.000 0.287 228 I C -0.222 175.831 176.117 -0.107 0.000 1.302 228 I CA -0.429 60.826 61.300 -0.076 0.000 1.368 228 I CB -0.995 36.972 38.000 -0.055 0.000 1.048 228 I HN -0.298 nan 8.210 nan 0.000 0.487 229 D N 1.191 121.508 120.400 -0.139 0.000 2.812 229 D HA -0.188 4.452 4.640 -0.000 0.000 0.237 229 D C 1.118 177.318 176.300 -0.166 0.000 1.162 229 D CA 1.019 54.938 54.000 -0.135 0.000 0.740 229 D CB -0.615 40.137 40.800 -0.079 0.000 1.000 229 D HN 0.634 nan 8.370 nan 0.000 0.416 230 L N -0.238 120.826 121.223 -0.266 0.000 2.081 230 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 230 L C 2.024 178.688 176.870 -0.343 0.000 1.080 230 L CA 1.588 56.231 54.840 -0.328 0.000 0.754 230 L CB -0.608 41.200 42.059 -0.418 0.000 0.893 230 L HN 0.284 nan 8.230 nan 0.000 0.433 231 H N 0.271 119.266 119.070 -0.125 0.000 2.568 231 H HA 0.166 4.722 4.556 -0.000 0.000 0.281 231 H C 1.912 177.168 175.328 -0.121 0.000 1.028 231 H CA 0.893 56.875 56.048 -0.110 0.000 1.199 231 H CB 0.001 29.716 29.762 -0.077 0.000 1.352 231 H HN 0.652 nan 8.280 nan 0.000 0.605 232 A N 0.135 122.918 122.820 -0.061 0.000 2.308 232 A HA 0.067 4.387 4.320 -0.000 0.000 0.217 232 A C 0.756 178.257 177.584 -0.138 0.000 1.216 232 A CA -0.298 51.688 52.037 -0.084 0.000 0.864 232 A CB 0.315 19.268 19.000 -0.078 0.000 0.902 232 A HN 0.196 nan 8.150 nan 0.000 0.499 233 N N -0.217 118.373 118.700 -0.182 0.000 2.384 233 N HA 0.158 4.898 4.740 -0.000 0.000 0.301 233 N C -0.652 174.655 175.510 -0.339 0.000 1.133 233 N CA -0.572 52.327 53.050 -0.252 0.000 0.853 233 N CB 1.408 39.751 38.487 -0.239 0.000 1.241 233 N HN 0.061 nan 8.380 nan 0.000 0.502 234 D N 0.621 120.727 120.400 -0.490 0.000 2.097 234 D HA -0.071 4.569 4.640 -0.000 0.000 0.197 234 D C 0.429 176.360 176.300 -0.615 0.000 0.984 234 D CA 1.499 55.084 54.000 -0.691 0.000 0.826 234 D CB 0.511 40.447 40.800 -1.440 0.000 0.973 234 D HN 0.414 nan 8.370 nan 0.000 0.460 235 M N 0.745 120.011 119.600 -0.556 0.000 2.263 235 M HA 0.258 4.738 4.480 -0.000 0.000 0.295 235 M C -1.966 174.089 176.300 -0.408 0.000 1.028 235 M CA -0.516 54.530 55.300 -0.422 0.000 0.921 235 M CB 2.083 34.599 32.600 -0.139 0.000 1.601 235 M HN -0.299 nan 8.290 nan 0.000 0.440 236 N N 4.624 122.995 118.700 -0.549 0.000 2.295 236 N HA 0.473 5.213 4.740 -0.000 0.000 0.293 236 N C -1.983 173.164 175.510 -0.605 0.000 1.040 236 N CA -0.285 52.503 53.050 -0.437 0.000 0.840 236 N CB 1.822 40.108 38.487 -0.335 0.000 1.468 236 N HN 0.546 nan 8.380 nan 0.000 0.478 237 F N 0.906 120.687 119.950 -0.281 0.000 2.325 237 F HA 0.287 4.814 4.527 -0.000 0.000 0.369 237 F C 0.372 176.054 175.800 -0.195 0.000 1.095 237 F CA -0.866 56.904 58.000 -0.384 0.000 1.082 237 F CB 1.164 39.606 39.000 -0.930 0.000 1.289 237 F HN 0.041 nan 8.300 nan 0.000 0.462 238 V N 3.972 123.934 119.914 0.079 0.000 2.372 238 V HA 0.403 4.523 4.120 -0.000 0.000 0.261 238 V C 0.633 176.918 176.094 0.317 0.000 1.055 238 V CA -0.853 61.505 62.300 0.096 0.000 0.930 238 V CB 0.410 32.095 31.823 -0.230 0.000 1.031 238 V HN 0.815 nan 8.190 nan 0.000 0.479 239 A N 7.411 130.471 122.820 0.399 0.000 2.520 239 A HA 0.469 4.789 4.320 -0.000 0.000 0.245 239 A C -0.152 177.511 177.584 0.131 0.000 1.072 239 A CA 0.040 52.269 52.037 0.319 0.000 0.761 239 A CB -0.132 19.047 19.000 0.299 0.000 1.004 239 A HN 0.620 nan 8.150 nan 0.000 0.499 240 I N 2.251 122.841 120.570 0.034 0.000 2.382 240 I HA 0.479 4.649 4.170 -0.000 0.000 0.286 240 I C 0.524 176.639 176.117 -0.004 0.000 1.002 240 I CA -0.111 61.224 61.300 0.057 0.000 1.135 240 I CB 0.810 38.898 38.000 0.148 0.000 1.288 240 I HN 0.725 nan 8.210 nan 0.000 0.448 241 A N 6.421 129.250 122.820 0.015 0.000 2.337 241 A HA 0.849 5.169 4.320 -0.000 0.000 0.331 241 A C -0.435 177.152 177.584 0.005 0.000 1.137 241 A CA -0.502 51.538 52.037 0.005 0.000 0.807 241 A CB 1.486 20.504 19.000 0.030 0.000 1.250 241 A HN 0.709 nan 8.150 nan 0.000 0.468 242 E N 0.444 120.644 120.200 -0.000 0.000 2.290 242 E HA 0.333 4.683 4.350 -0.000 0.000 0.274 242 E C -1.189 175.413 176.600 0.004 0.000 0.889 242 E CA -0.796 55.602 56.400 -0.002 0.000 0.760 242 E CB 1.377 31.069 29.700 -0.013 0.000 1.206 242 E HN 0.769 nan 8.360 nan 0.000 0.419 243 N N 1.685 120.390 118.700 0.007 0.000 2.725 243 N HA -0.263 4.477 4.740 -0.000 0.000 0.251 243 N C 0.626 176.147 175.510 0.018 0.000 1.031 243 N CA 0.412 53.468 53.050 0.011 0.000 0.720 243 N CB -0.875 37.616 38.487 0.007 0.000 0.930 243 N HN 0.976 nan 8.380 nan 0.000 0.543 244 G N -0.393 108.422 108.800 0.025 0.000 2.166 244 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.260 244 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.260 244 G C -0.001 174.921 174.900 0.037 0.000 0.986 244 G CA 1.147 46.269 45.100 0.036 0.000 0.683 244 G HN 0.836 nan 8.290 nan 0.000 0.527 245 K N -0.461 119.954 120.400 0.025 0.000 2.371 245 K HA 0.744 5.064 4.320 -0.000 0.000 0.251 245 K C -0.495 176.104 176.600 -0.002 0.000 0.934 245 K CA -1.347 54.951 56.287 0.020 0.000 0.798 245 K CB 1.553 34.061 32.500 0.014 0.000 1.204 245 K HN -0.003 nan 8.250 nan 0.000 0.427 246 L N 3.728 124.941 121.223 -0.016 0.000 2.367 246 L HA 0.085 4.425 4.340 -0.000 0.000 0.275 246 L C 0.890 177.679 176.870 -0.134 0.000 1.129 246 L CA 0.346 55.127 54.840 -0.098 0.000 0.839 246 L CB 1.634 43.608 42.059 -0.143 0.000 1.133 246 L HN 0.717 nan 8.230 nan 0.000 0.453 247 V N 0.307 120.132 119.914 -0.147 0.000 3.570 247 V HA 0.777 4.897 4.120 -0.000 0.000 0.257 247 V C 0.636 176.619 176.094 -0.185 0.000 1.272 247 V CA 0.723 62.960 62.300 -0.105 0.000 1.079 247 V CB 0.007 31.826 31.823 -0.006 0.000 0.829 247 V HN 0.795 nan 8.190 nan 0.000 0.454 248 G N -0.505 108.103 108.800 -0.319 0.000 2.427 248 G HA2 0.574 4.534 3.960 -0.000 0.000 0.306 248 G HA3 0.574 4.534 3.960 -0.000 0.000 0.306 248 G C -2.116 172.329 174.900 -0.759 0.000 1.280 248 G CA -0.604 44.145 45.100 -0.584 0.000 0.837 248 G HN 0.086 nan 8.290 nan 0.000 0.482 249 F N -0.136 119.660 119.950 -0.257 0.000 2.599 249 F HA 0.564 5.091 4.527 0.000 0.000 0.311 249 F C -0.300 175.490 175.800 -0.018 0.000 1.076 249 F CA -1.172 56.794 58.000 -0.056 0.000 0.937 249 F CB 2.483 41.512 39.000 0.047 0.000 1.282 249 F HN 0.147 nan 8.300 nan 0.000 0.460 250 N N 1.939 120.797 118.700 0.264 0.000 2.422 250 N HA 0.377 5.117 4.740 -0.000 0.000 0.266 250 N C -1.307 174.203 175.510 0.001 0.000 1.007 250 N CA -0.448 52.687 53.050 0.141 0.000 0.941 250 N CB 1.718 40.193 38.487 -0.020 0.000 1.115 250 N HN 0.526 nan 8.380 nan 0.000 0.492 251 L N 3.666 124.870 121.223 -0.031 0.000 2.265 251 L HA 0.468 4.808 4.340 -0.000 0.000 0.288 251 L C -1.309 175.366 176.870 -0.325 0.000 1.058 251 L CA -0.295 54.389 54.840 -0.259 0.000 0.809 251 L CB 0.373 42.313 42.059 -0.199 0.000 1.179 251 L HN 0.325 nan 8.230 nan 0.000 0.429 252 L N 6.004 126.981 121.223 -0.410 0.000 2.333 252 L HA 0.678 5.018 4.340 -0.000 0.000 0.280 252 L C -0.617 175.936 176.870 -0.530 0.000 1.004 252 L CA -0.214 54.408 54.840 -0.363 0.000 0.820 252 L CB 2.029 43.949 42.059 -0.232 0.000 1.247 252 L HN 0.367 nan 8.230 nan 0.000 0.416 253 V N 1.687 121.216 119.914 -0.643 0.000 2.735 253 V HA 0.801 4.921 4.120 -0.000 0.000 0.310 253 V C 0.569 176.393 176.094 -0.450 0.000 1.061 253 V CA 0.040 61.927 62.300 -0.689 0.000 0.913 253 V CB 1.711 32.811 31.823 -1.205 0.000 1.005 253 V HN 0.823 nan 8.190 nan 0.000 0.428 254 G N 2.904 111.473 108.800 -0.384 0.000 2.154 254 G HA2 -0.075 3.884 3.960 -0.000 0.000 0.186 254 G HA3 -0.075 3.884 3.960 -0.000 0.000 0.186 254 G C 0.387 175.172 174.900 -0.191 0.000 1.000 254 G CA -0.192 44.746 45.100 -0.270 0.000 0.664 254 G HN 1.355 nan 8.290 nan 0.000 0.513 255 G N -0.565 108.119 108.800 -0.194 0.000 2.507 255 G HA2 0.800 4.759 3.960 -0.000 0.000 0.271 255 G HA3 0.800 4.759 3.960 -0.000 0.000 0.271 255 G C 0.290 175.093 174.900 -0.162 0.000 1.189 255 G CA -0.067 44.958 45.100 -0.125 0.000 0.859 255 G HN 1.571 nan 8.290 nan 0.000 0.542 256 G N -0.363 108.362 108.800 -0.124 0.000 2.658 256 G HA2 0.383 4.342 3.960 -0.000 0.000 0.301 256 G HA3 0.383 4.342 3.960 -0.000 0.000 0.301 256 G C 0.088 174.930 174.900 -0.097 0.000 1.481 256 G CA -0.708 44.311 45.100 -0.135 0.000 0.931 256 G HN 0.568 nan 8.290 nan 0.000 0.573 257 L N 0.757 121.931 121.223 -0.082 0.000 2.575 257 L HA 0.256 4.596 4.340 -0.000 0.000 0.228 257 L C 1.739 178.577 176.870 -0.053 0.000 1.075 257 L CA 0.041 54.841 54.840 -0.067 0.000 0.867 257 L CB 0.514 42.531 42.059 -0.071 0.000 1.097 257 L HN 0.532 nan 8.230 nan 0.000 0.485 258 S N 1.453 117.126 115.700 -0.046 0.000 2.546 258 S HA 0.257 4.727 4.470 -0.000 0.000 0.290 258 S C -0.071 174.542 174.600 0.022 0.000 1.290 258 S CA -0.179 58.008 58.200 -0.022 0.000 1.069 258 S CB -0.133 63.059 63.200 -0.013 0.000 0.846 258 S HN 0.262 nan 8.310 nan 0.000 0.495 259 I N 1.119 121.707 120.570 0.031 0.000 3.343 259 I HA 0.744 4.914 4.170 -0.000 0.000 0.315 259 I C -0.775 175.377 176.117 0.058 0.000 1.153 259 I CA -1.154 60.220 61.300 0.123 0.000 0.952 259 I CB 2.138 40.278 38.000 0.233 0.000 1.287 259 I HN 0.479 nan 8.210 nan 0.000 0.472 260 E N 0.895 121.165 120.200 0.117 0.000 2.234 260 E HA 0.353 4.703 4.350 -0.000 0.000 0.266 260 E C -1.256 175.412 176.600 0.113 0.000 0.877 260 E CA -0.803 55.611 56.400 0.024 0.000 0.758 260 E CB 1.138 30.844 29.700 0.010 0.000 1.170 260 E HN 0.571 nan 8.360 nan 0.000 0.415 261 H N 1.933 121.092 119.070 0.149 0.000 3.034 261 H HA 0.054 4.610 4.556 0.000 0.000 0.324 261 H C 1.252 176.616 175.328 0.059 0.000 1.015 261 H CA 1.696 57.851 56.048 0.178 0.000 1.429 261 H CB 1.044 30.876 29.762 0.116 0.000 1.429 261 H HN 0.943 nan 8.280 nan 0.000 0.585 262 G N 3.495 112.392 108.800 0.162 0.000 2.196 262 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.268 262 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.268 262 G C 0.586 175.294 174.900 -0.320 0.000 0.975 262 G CA 0.464 45.506 45.100 -0.096 0.000 0.648 262 G HN 0.667 nan 8.290 nan 0.000 0.538 263 N N 0.578 119.040 118.700 -0.397 0.000 2.699 263 N HA 0.309 5.049 4.740 -0.000 0.000 0.232 263 N C 1.231 176.340 175.510 -0.670 0.000 1.027 263 N CA -0.364 52.458 53.050 -0.380 0.000 0.920 263 N CB 0.364 38.752 38.487 -0.165 0.000 1.148 263 N HN 0.383 nan 8.380 nan 0.000 0.509 264 K N 1.411 121.320 120.400 -0.818 0.000 2.574 264 K HA -0.021 4.299 4.320 -0.000 0.000 0.193 264 K C 0.688 177.133 176.600 -0.259 0.000 1.035 264 K CA 0.706 56.424 56.287 -0.947 0.000 0.982 264 K CB 0.413 32.530 32.500 -0.639 0.000 0.795 264 K HN 0.388 nan 8.250 nan 0.000 0.491 265 K N 0.668 120.984 120.400 -0.141 0.000 2.404 265 K HA -0.004 4.316 4.320 -0.000 0.000 0.194 265 K C 0.603 177.232 176.600 0.049 0.000 1.023 265 K CA 0.375 56.667 56.287 0.009 0.000 1.094 265 K CB 0.606 33.064 32.500 -0.071 0.000 0.841 265 K HN 0.177 nan 8.250 nan 0.000 0.523 266 T N -1.123 113.498 114.554 0.110 0.000 2.940 266 T HA 0.557 4.907 4.350 -0.000 0.000 0.288 266 T C -0.663 174.305 174.700 0.447 0.000 1.033 266 T CA -0.794 61.403 62.100 0.161 0.000 1.033 266 T CB 1.088 70.048 68.868 0.153 0.000 1.079 266 T HN 0.151 nan 8.240 nan 0.000 0.496 267 Y N -1.784 118.763 120.300 0.412 0.000 2.687 267 Y HA 0.714 5.264 4.550 -0.000 0.000 0.338 267 Y C -0.834 175.091 175.900 0.042 0.000 1.189 267 Y CA -1.924 56.329 58.100 0.255 0.000 1.097 267 Y CB 0.450 39.057 38.460 0.244 0.000 1.342 267 Y HN 0.977 nan 8.280 nan 0.000 0.461 268 A N 2.759 125.697 122.820 0.197 0.000 2.316 268 A HA 0.847 5.167 4.320 -0.000 0.000 0.284 268 A C -0.338 177.308 177.584 0.104 0.000 1.115 268 A CA -0.676 51.395 52.037 0.058 0.000 0.812 268 A CB 0.881 19.860 19.000 -0.034 0.000 1.064 268 A HN 0.831 nan 8.150 nan 0.000 0.489 269 R N 0.686 121.209 120.500 0.038 0.000 2.651 269 R HA 0.504 4.844 4.340 -0.000 0.000 0.278 269 R C -0.523 175.762 176.300 -0.026 0.000 1.010 269 R CA -0.165 55.942 56.100 0.012 0.000 0.896 269 R CB 1.753 32.086 30.300 0.054 0.000 1.211 269 R HN 0.873 nan 8.270 nan 0.000 0.456 270 T N 0.507 115.034 114.554 -0.044 0.000 2.882 270 T HA 0.588 4.938 4.350 -0.000 0.000 0.287 270 T C 0.489 175.245 174.700 0.094 0.000 1.014 270 T CA -0.704 61.395 62.100 -0.001 0.000 1.049 270 T CB 1.501 70.202 68.868 -0.278 0.000 1.001 270 T HN 0.626 nan 8.240 nan 0.000 0.525 271 A N 1.797 124.793 122.820 0.293 0.000 2.371 271 A HA 0.561 4.881 4.320 -0.000 0.000 0.257 271 A C 0.545 178.170 177.584 0.069 0.000 1.089 271 A CA -0.659 51.407 52.037 0.048 0.000 0.794 271 A CB -0.007 18.928 19.000 -0.108 0.000 1.029 271 A HN 0.809 nan 8.150 nan 0.000 0.488 272 S N 0.761 116.447 115.700 -0.023 0.000 2.525 272 S HA 0.292 4.762 4.470 -0.000 0.000 0.290 272 S C -0.234 174.401 174.600 0.058 0.000 1.152 272 S CA -0.507 57.724 58.200 0.053 0.000 1.072 272 S CB 0.950 64.215 63.200 0.108 0.000 1.027 272 S HN 0.713 nan 8.310 nan 0.000 0.500 273 E N 1.578 121.853 120.200 0.125 0.000 2.290 273 E HA 0.136 4.486 4.350 -0.000 0.000 0.277 273 E C -0.311 176.425 176.600 0.226 0.000 1.035 273 E CA -0.080 56.396 56.400 0.126 0.000 0.873 273 E CB 0.410 30.198 29.700 0.147 0.000 1.029 273 E HN 0.495 nan 8.360 nan 0.000 0.419 274 F N 1.267 121.081 119.950 -0.226 0.000 2.383 274 F HA 0.296 4.823 4.527 -0.000 0.000 0.287 274 F C 1.238 176.765 175.800 -0.455 0.000 1.069 274 F CA 0.914 58.662 58.000 -0.420 0.000 1.402 274 F CB 0.332 38.905 39.000 -0.711 0.000 1.116 274 F HN 0.637 nan 8.300 nan 0.000 0.549 275 G N -1.622 107.117 108.800 -0.103 0.000 2.369 275 G HA2 0.137 4.097 3.960 -0.000 0.000 0.293 275 G HA3 0.137 4.097 3.960 -0.000 0.000 0.293 275 G C -2.141 172.931 174.900 0.287 0.000 1.301 275 G CA -0.979 44.173 45.100 0.086 0.000 0.913 275 G HN -0.019 nan 8.290 nan 0.000 0.540 276 Y N 0.298 120.763 120.300 0.274 0.000 2.320 276 Y HA 0.752 5.301 4.550 -0.000 0.000 0.324 276 Y C 0.140 176.247 175.900 0.346 0.000 1.190 276 Y CA -0.478 57.781 58.100 0.265 0.000 1.215 276 Y CB 1.275 39.830 38.460 0.158 0.000 1.221 276 Y HN 0.877 nan 8.280 nan 0.000 0.486 277 L N 4.271 125.141 121.223 -0.587 0.000 2.445 277 L HA 0.771 5.111 4.340 -0.000 0.000 0.262 277 L C -3.166 173.267 176.870 -0.727 0.000 0.974 277 L CA -2.424 52.184 54.840 -0.387 0.000 0.822 277 L CB 1.947 43.976 42.059 -0.050 0.000 1.339 277 L HN 0.356 nan 8.230 nan 0.000 0.409 278 P HA 0.167 nan 4.420 nan 0.000 0.272 278 P C 0.668 177.736 177.300 -0.386 0.000 1.223 278 P CA -0.470 62.425 63.100 -0.343 0.000 0.784 278 P CB 0.779 32.335 31.700 -0.240 0.000 0.923 279 L N 3.060 124.030 121.223 -0.422 0.000 2.051 279 L HA -0.255 4.085 4.340 -0.000 0.000 0.214 279 L C 2.109 178.734 176.870 -0.410 0.000 1.076 279 L CA 1.979 56.499 54.840 -0.533 0.000 0.758 279 L CB -1.266 40.524 42.059 -0.448 0.000 0.890 279 L HN 0.533 nan 8.230 nan 0.000 0.433 280 E N -2.314 117.700 120.200 -0.310 0.000 2.209 280 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 280 E C 1.232 177.729 176.600 -0.172 0.000 0.993 280 E CA 1.536 57.799 56.400 -0.228 0.000 0.819 280 E CB -0.566 28.945 29.700 -0.315 0.000 0.745 280 E HN 0.601 nan 8.360 nan 0.000 0.477 281 H N 0.545 119.545 119.070 -0.116 0.000 2.539 281 H HA 0.171 4.727 4.556 -0.000 0.000 0.269 281 H C 1.451 176.726 175.328 -0.088 0.000 0.980 281 H CA 0.754 56.739 56.048 -0.103 0.000 1.152 281 H CB 0.170 29.847 29.762 -0.142 0.000 1.407 281 H HN 0.177 nan 8.280 nan 0.000 0.564 282 T N 1.304 115.829 114.554 -0.050 0.000 2.607 282 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 282 T C 2.313 176.981 174.700 -0.053 0.000 1.049 282 T CA 1.105 63.136 62.100 -0.114 0.000 1.162 282 T CB -0.218 68.349 68.868 -0.501 0.000 0.863 282 T HN 0.280 nan 8.240 nan 0.000 0.424 283 L N 0.548 121.735 121.223 -0.061 0.000 2.141 283 L HA -0.001 4.339 4.340 -0.000 0.000 0.209 283 L C 3.011 179.812 176.870 -0.114 0.000 1.094 283 L CA 0.937 55.634 54.840 -0.238 0.000 0.763 283 L CB -0.688 41.059 42.059 -0.520 0.000 0.908 283 L HN 0.253 nan 8.230 nan 0.000 0.437 284 A N -0.209 122.605 122.820 -0.010 0.000 1.898 284 A HA -0.100 4.219 4.320 -0.000 0.000 0.216 284 A C 2.341 179.966 177.584 0.068 0.000 1.181 284 A CA 1.387 53.447 52.037 0.039 0.000 0.620 284 A CB -0.628 18.382 19.000 0.016 0.000 0.819 284 A HN 0.161 nan 8.150 nan 0.000 0.442 285 V N -0.127 119.841 119.914 0.090 0.000 2.307 285 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 285 V C 3.068 179.303 176.094 0.236 0.000 1.045 285 V CA 1.803 64.201 62.300 0.162 0.000 1.024 285 V CB -1.168 30.790 31.823 0.224 0.000 0.651 285 V HN 0.599 nan 8.190 nan 0.000 0.449 286 A N -0.477 122.516 122.820 0.287 0.000 1.908 286 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 286 A C 2.280 179.996 177.584 0.219 0.000 1.181 286 A CA 2.245 54.493 52.037 0.352 0.000 0.627 286 A CB -0.529 18.667 19.000 0.327 0.000 0.818 286 A HN 0.625 nan 8.150 nan 0.000 0.445 287 E N -0.459 119.864 120.200 0.206 0.000 2.106 287 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 287 E C 2.163 178.784 176.600 0.035 0.000 0.984 287 E CA 0.821 57.301 56.400 0.133 0.000 0.806 287 E CB -0.222 29.609 29.700 0.219 0.000 0.750 287 E HN 0.551 nan 8.360 nan 0.000 0.458 288 A N 0.450 123.303 122.820 0.055 0.000 1.902 288 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 288 A C 2.367 179.947 177.584 -0.008 0.000 1.181 288 A CA 1.313 53.353 52.037 0.005 0.000 0.623 288 A CB -0.604 18.416 19.000 0.033 0.000 0.818 288 A HN 0.217 nan 8.150 nan 0.000 0.443 289 V N -0.396 119.573 119.914 0.091 0.000 2.343 289 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 289 V C 2.593 178.680 176.094 -0.012 0.000 1.051 289 V CA 1.949 64.352 62.300 0.172 0.000 1.036 289 V CB -0.715 31.252 31.823 0.240 0.000 0.654 289 V HN 0.380 nan 8.190 nan 0.000 0.451 290 V N 0.949 120.730 119.914 -0.222 0.000 2.255 290 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 290 V C 2.829 178.734 176.094 -0.315 0.000 1.051 290 V CA 2.728 64.713 62.300 -0.525 0.000 1.018 290 V CB -1.323 30.237 31.823 -0.438 0.000 0.641 290 V HN 0.835 nan 8.190 nan 0.000 0.445 291 T N -2.885 111.544 114.554 -0.209 0.000 2.788 291 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 291 T C 1.757 176.315 174.700 -0.238 0.000 1.044 291 T CA 2.018 64.011 62.100 -0.179 0.000 1.139 291 T CB -0.721 68.066 68.868 -0.134 0.000 0.867 291 T HN 0.451 nan 8.240 nan 0.000 0.454 292 T N 1.619 115.963 114.554 -0.349 0.000 2.857 292 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 292 T C 2.025 176.410 174.700 -0.524 0.000 1.048 292 T CA 1.406 63.075 62.100 -0.719 0.000 1.139 292 T CB -0.331 67.879 68.868 -1.096 0.000 0.874 292 T HN 0.478 nan 8.240 nan 0.000 0.455 293 Q N 1.863 121.603 119.800 -0.099 0.000 2.083 293 Q HA 0.017 4.357 4.340 -0.000 0.000 0.198 293 Q C 2.253 178.304 176.000 0.086 0.000 0.969 293 Q CA 1.468 57.382 55.803 0.186 0.000 0.838 293 Q CB -0.385 28.538 28.738 0.309 0.000 0.900 293 Q HN 0.438 nan 8.270 nan 0.000 0.436 294 R N -0.120 120.360 120.500 -0.033 0.000 2.083 294 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 294 R C 0.997 177.330 176.300 0.054 0.000 1.137 294 R CA 2.005 58.096 56.100 -0.015 0.000 0.951 294 R CB -0.315 29.943 30.300 -0.070 0.000 0.851 294 R HN 0.337 nan 8.270 nan 0.000 0.434 295 D N -0.747 119.677 120.400 0.040 0.000 2.137 295 D HA -0.131 4.509 4.640 -0.000 0.000 0.202 295 D C 1.546 178.064 176.300 0.363 0.000 0.970 295 D CA 0.941 55.035 54.000 0.157 0.000 0.837 295 D CB -0.270 40.609 40.800 0.131 0.000 0.981 295 D HN 0.368 nan 8.370 nan 0.000 0.475 296 W N 1.818 123.133 121.300 0.025 0.000 3.003 296 W HA 0.344 5.004 4.660 -0.000 0.000 0.257 296 W C 1.221 177.802 176.519 0.103 0.000 1.308 296 W CA -0.769 56.609 57.345 0.056 0.000 1.529 296 W CB -0.924 28.566 29.460 0.049 0.000 1.115 296 W HN -0.217 nan 8.180 nan 0.000 0.659 297 G N 1.819 110.815 108.800 0.325 0.000 2.391 297 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.234 297 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.234 297 G C 0.347 175.358 174.900 0.185 0.000 1.284 297 G CA -0.389 44.858 45.100 0.246 0.000 0.873 297 G HN -0.006 nan 8.290 nan 0.000 0.549 298 N N 1.106 119.900 118.700 0.156 0.000 2.365 298 N HA -0.040 4.700 4.740 -0.000 0.000 0.265 298 N C 1.263 176.822 175.510 0.082 0.000 1.288 298 N CA -0.223 52.886 53.050 0.098 0.000 0.869 298 N CB 0.483 39.007 38.487 0.061 0.000 1.071 298 N HN 0.412 nan 8.380 nan 0.000 0.480 299 R N 2.412 122.954 120.500 0.069 0.000 2.210 299 R HA 0.017 4.357 4.340 -0.000 0.000 0.203 299 R C 1.301 177.627 176.300 0.043 0.000 1.010 299 R CA 0.687 56.825 56.100 0.064 0.000 1.008 299 R CB -0.309 30.026 30.300 0.058 0.000 0.923 299 R HN 0.549 nan 8.270 nan 0.000 0.469 300 T N 0.177 114.747 114.554 0.026 0.000 2.901 300 T HA -0.032 4.318 4.350 -0.000 0.000 0.252 300 T C 0.230 174.931 174.700 0.002 0.000 1.035 300 T CA 0.720 62.826 62.100 0.011 0.000 1.142 300 T CB 0.056 68.924 68.868 0.001 0.000 0.869 300 T HN 0.078 nan 8.240 nan 0.000 0.442 301 D N 0.123 120.517 120.400 -0.010 0.000 2.492 301 D HA 0.329 4.969 4.640 -0.000 0.000 0.248 301 D C 0.819 177.101 176.300 -0.029 0.000 1.101 301 D CA -0.706 53.276 54.000 -0.030 0.000 0.840 301 D CB 1.449 42.210 40.800 -0.066 0.000 1.209 301 D HN -0.040 nan 8.370 nan 0.000 0.524 302 R N 3.110 123.603 120.500 -0.011 0.000 2.152 302 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 302 R C 0.799 177.085 176.300 -0.024 0.000 1.117 302 R CA 1.378 57.482 56.100 0.006 0.000 0.981 302 R CB 0.127 30.443 30.300 0.026 0.000 0.870 302 R HN 0.287 nan 8.270 nan 0.000 0.451 303 K N -0.219 120.134 120.400 -0.079 0.000 2.525 303 K HA -0.010 4.310 4.320 -0.000 0.000 0.192 303 K C 0.863 177.230 176.600 -0.389 0.000 1.029 303 K CA 0.609 56.812 56.287 -0.140 0.000 1.029 303 K CB 0.045 32.458 32.500 -0.146 0.000 0.814 303 K HN 0.284 nan 8.250 nan 0.000 0.503 304 N N -0.075 118.405 118.700 -0.367 0.000 2.184 304 N HA 0.112 4.852 4.740 -0.000 0.000 0.234 304 N C 0.285 175.741 175.510 -0.090 0.000 1.282 304 N CA 0.062 52.737 53.050 -0.626 0.000 0.877 304 N CB 0.841 39.090 38.487 -0.397 0.000 1.184 304 N HN 0.075 nan 8.380 nan 0.000 0.510 305 A N 0.494 123.345 122.820 0.052 0.000 2.275 305 A HA 0.117 4.437 4.320 -0.000 0.000 0.212 305 A C 0.827 178.538 177.584 0.211 0.000 1.201 305 A CA 0.238 52.359 52.037 0.140 0.000 0.843 305 A CB 0.049 19.103 19.000 0.090 0.000 0.873 305 A HN 0.083 nan 8.150 nan 0.000 0.492 306 K N -0.234 120.361 120.400 0.325 0.000 2.144 306 K HA 0.373 4.693 4.320 -0.000 0.000 0.270 306 K C 1.142 177.833 176.600 0.150 0.000 1.005 306 K CA 0.329 56.733 56.287 0.195 0.000 0.932 306 K CB 0.588 33.157 32.500 0.115 0.000 1.021 306 K HN 0.109 nan 8.250 nan 0.000 0.462 307 T N 3.265 117.872 114.554 0.089 0.000 2.685 307 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 307 T C 1.244 175.922 174.700 -0.037 0.000 1.034 307 T CA 2.159 64.297 62.100 0.064 0.000 1.149 307 T CB -0.292 68.571 68.868 -0.007 0.000 0.860 307 T HN 0.744 nan 8.240 nan 0.000 0.449 308 K N 0.237 120.551 120.400 -0.144 0.000 2.152 308 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 308 K C 1.754 178.290 176.600 -0.106 0.000 1.048 308 K CA 1.583 57.763 56.287 -0.178 0.000 0.933 308 K CB -0.505 31.824 32.500 -0.285 0.000 0.721 308 K HN 0.321 nan 8.250 nan 0.000 0.447 309 Y N 2.238 122.591 120.300 0.088 0.000 2.243 309 Y HA -0.027 4.523 4.550 -0.000 0.000 0.293 309 Y C 2.705 178.703 175.900 0.163 0.000 1.124 309 Y CA 1.228 59.395 58.100 0.112 0.000 1.159 309 Y CB -0.639 37.836 38.460 0.025 0.000 1.008 309 Y HN 0.069 nan 8.280 nan 0.000 0.527 310 T N 0.863 115.611 114.554 0.323 0.000 2.684 310 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 310 T C 2.160 177.072 174.700 0.354 0.000 1.036 310 T CA 1.384 63.702 62.100 0.362 0.000 1.148 310 T CB -0.635 68.507 68.868 0.457 0.000 0.863 310 T HN 0.197 nan 8.240 nan 0.000 0.436 311 L N 0.831 122.186 121.223 0.220 0.000 2.012 311 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 311 L C 2.859 179.843 176.870 0.190 0.000 1.073 311 L CA 1.301 56.240 54.840 0.166 0.000 0.748 311 L CB -0.500 41.560 42.059 0.002 0.000 0.891 311 L HN 0.223 nan 8.230 nan 0.000 0.431 312 E N -0.444 119.867 120.200 0.186 0.000 2.268 312 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 312 E C 2.149 178.859 176.600 0.183 0.000 0.995 312 E CA 0.690 57.197 56.400 0.178 0.000 0.836 312 E CB -0.023 29.820 29.700 0.238 0.000 0.763 312 E HN 0.411 nan 8.360 nan 0.000 0.491 313 R N 0.504 121.132 120.500 0.212 0.000 2.057 313 R HA -0.058 4.282 4.340 -0.000 0.000 0.224 313 R C 2.402 178.782 176.300 0.133 0.000 1.136 313 R CA 1.324 57.525 56.100 0.168 0.000 0.968 313 R CB 0.139 30.544 30.300 0.176 0.000 0.863 313 R HN 0.161 nan 8.270 nan 0.000 0.433 314 V N -2.820 117.205 119.914 0.186 0.000 3.174 314 V HA 0.380 4.500 4.120 -0.000 0.000 0.254 314 V C 0.587 176.785 176.094 0.173 0.000 1.120 314 V CA 0.639 63.028 62.300 0.148 0.000 1.114 314 V CB 0.048 31.997 31.823 0.210 0.000 0.756 314 V HN 0.454 nan 8.190 nan 0.000 0.467 315 G N -0.649 108.275 108.800 0.206 0.000 2.911 315 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.686 315 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.686 315 G C -0.191 174.831 174.900 0.203 0.000 1.136 315 G CA -0.363 44.834 45.100 0.161 0.000 0.764 315 G HN 0.530 nan 8.290 nan 0.000 0.626 316 V N 1.940 121.933 119.914 0.132 0.000 2.287 316 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 316 V C 2.726 178.809 176.094 -0.019 0.000 1.053 316 V CA 2.755 65.111 62.300 0.094 0.000 1.027 316 V CB -0.379 31.480 31.823 0.061 0.000 0.646 316 V HN 0.799 nan 8.190 nan 0.000 0.447 317 E N -0.061 120.131 120.200 -0.012 0.000 2.110 317 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 317 E C 2.298 178.916 176.600 0.029 0.000 0.988 317 E CA 1.793 58.165 56.400 -0.047 0.000 0.804 317 E CB -0.676 29.016 29.700 -0.014 0.000 0.745 317 E HN 0.606 nan 8.360 nan 0.000 0.458 318 T N 1.110 115.742 114.554 0.130 0.000 2.777 318 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 318 T C 1.589 176.501 174.700 0.353 0.000 1.040 318 T CA 0.878 63.108 62.100 0.217 0.000 1.141 318 T CB -0.354 68.643 68.868 0.215 0.000 0.868 318 T HN 0.088 nan 8.240 nan 0.000 0.444 319 F N 2.069 122.153 119.950 0.222 0.000 2.113 319 F HA 0.044 4.571 4.527 -0.000 0.000 0.297 319 F C 2.348 178.113 175.800 -0.058 0.000 1.103 319 F CA 1.259 59.357 58.000 0.164 0.000 1.248 319 F CB -0.200 38.946 39.000 0.242 0.000 0.999 319 F HN -0.051 nan 8.300 nan 0.000 0.475 320 K N 0.342 120.704 120.400 -0.062 0.000 2.032 320 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 320 K C 2.210 178.793 176.600 -0.029 0.000 1.048 320 K CA 1.423 57.478 56.287 -0.386 0.000 0.927 320 K CB -0.505 31.500 32.500 -0.826 0.000 0.712 320 K HN 0.279 nan 8.250 nan 0.000 0.441 321 A N 1.095 123.915 122.820 0.001 0.000 1.940 321 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 321 A C 1.990 179.602 177.584 0.048 0.000 1.176 321 A CA 2.086 54.153 52.037 0.049 0.000 0.631 321 A CB -0.599 18.438 19.000 0.061 0.000 0.814 321 A HN 0.564 nan 8.150 nan 0.000 0.446 322 E N -0.185 120.023 120.200 0.013 0.000 2.072 322 E HA -0.086 4.263 4.350 -0.000 0.000 0.190 322 E C 1.803 178.340 176.600 -0.105 0.000 0.982 322 E CA 1.355 57.706 56.400 -0.081 0.000 0.803 322 E CB -0.372 29.141 29.700 -0.312 0.000 0.755 322 E HN 0.243 nan 8.360 nan 0.000 0.453 323 V N 1.205 121.096 119.914 -0.039 0.000 2.332 323 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 323 V C 2.120 178.276 176.094 0.103 0.000 1.055 323 V CA 2.307 64.668 62.300 0.101 0.000 1.038 323 V CB -0.569 31.504 31.823 0.417 0.000 0.651 323 V HN 0.324 nan 8.190 nan 0.000 0.450 324 E N -0.189 120.089 120.200 0.130 0.000 2.051 324 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 324 E C 2.471 179.048 176.600 -0.039 0.000 0.991 324 E CA 1.217 57.627 56.400 0.017 0.000 0.799 324 E CB -0.240 29.501 29.700 0.068 0.000 0.748 324 E HN 0.434 nan 8.360 nan 0.000 0.449 325 R N 1.055 121.547 120.500 -0.014 0.000 2.083 325 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 325 R C 2.293 178.570 176.300 -0.039 0.000 1.137 325 R CA 1.533 57.619 56.100 -0.023 0.000 0.951 325 R CB 0.016 30.314 30.300 -0.004 0.000 0.851 325 R HN 0.068 nan 8.270 nan 0.000 0.434 326 R N -0.572 119.900 120.500 -0.046 0.000 2.090 326 R HA -0.005 4.335 4.340 -0.000 0.000 0.228 326 R C 2.262 178.533 176.300 -0.048 0.000 1.110 326 R CA 1.102 57.172 56.100 -0.050 0.000 0.973 326 R CB -0.175 30.080 30.300 -0.075 0.000 0.869 326 R HN 0.223 nan 8.270 nan 0.000 0.440 327 A N 0.267 123.051 122.820 -0.060 0.000 1.929 327 A HA 0.097 4.417 4.320 -0.000 0.000 0.216 327 A C 1.563 179.069 177.584 -0.130 0.000 1.176 327 A CA 1.321 53.306 52.037 -0.087 0.000 0.628 327 A CB -0.327 18.594 19.000 -0.132 0.000 0.816 327 A HN 0.464 nan 8.150 nan 0.000 0.444 328 G N -1.103 107.613 108.800 -0.139 0.000 2.140 328 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.211 328 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.211 328 G C 0.055 174.817 174.900 -0.230 0.000 1.013 328 G CA 0.349 45.364 45.100 -0.141 0.000 0.705 328 G HN 1.552 nan 8.290 nan 0.000 0.508 329 I N -4.693 115.704 120.570 -0.288 0.000 3.354 329 I HA 0.909 5.079 4.170 -0.000 0.000 0.316 329 I C -0.803 175.147 176.117 -0.277 0.000 1.182 329 I CA -1.738 59.336 61.300 -0.376 0.000 0.942 329 I CB 1.863 39.457 38.000 -0.677 0.000 1.299 329 I HN -0.105 nan 8.210 nan 0.000 0.473 330 K N 1.688 121.949 120.400 -0.231 0.000 2.471 330 K HA 0.507 4.827 4.320 -0.000 0.000 0.252 330 K C -1.611 174.939 176.600 -0.082 0.000 0.938 330 K CA -0.550 55.677 56.287 -0.100 0.000 0.796 330 K CB 2.064 34.559 32.500 -0.010 0.000 1.161 330 K HN 0.371 nan 8.250 nan 0.000 0.425 331 F N 1.915 121.890 119.950 0.043 0.000 2.506 331 F HA 0.059 4.586 4.527 -0.000 0.000 0.351 331 F C 1.236 177.101 175.800 0.109 0.000 1.136 331 F CA 0.349 58.400 58.000 0.085 0.000 1.298 331 F CB 0.550 39.609 39.000 0.098 0.000 1.145 331 F HN 0.376 nan 8.300 nan 0.000 0.593 332 E N 2.699 123.126 120.200 0.377 0.000 2.250 332 E HA 0.327 4.677 4.350 -0.000 0.000 0.265 332 E C -2.382 174.393 176.600 0.293 0.000 1.033 332 E CA -2.079 54.500 56.400 0.299 0.000 0.888 332 E CB 0.664 30.577 29.700 0.355 0.000 1.151 332 E HN 0.234 nan 8.360 nan 0.000 0.412 333 P HA -0.030 nan 4.420 nan 0.000 0.267 333 P C -0.389 177.014 177.300 0.171 0.000 1.200 333 P CA -0.025 63.162 63.100 0.146 0.000 0.772 333 P CB 0.390 32.140 31.700 0.084 0.000 0.855 334 I N 3.081 123.750 120.570 0.165 0.000 2.752 334 I HA -0.062 4.108 4.170 -0.000 0.000 0.289 334 I C 1.261 177.457 176.117 0.131 0.000 1.197 334 I CA 0.755 62.173 61.300 0.197 0.000 1.432 334 I CB -0.314 37.808 38.000 0.203 0.000 1.359 334 I HN 0.275 nan 8.210 nan 0.000 0.571 335 R N 7.220 127.791 120.500 0.118 0.000 2.357 335 R HA 0.333 4.673 4.340 -0.000 0.000 0.296 335 R C -2.248 174.132 176.300 0.133 0.000 1.052 335 R CA -1.753 54.353 56.100 0.010 0.000 0.988 335 R CB 0.299 30.510 30.300 -0.149 0.000 1.025 335 R HN 0.300 nan 8.270 nan 0.000 0.469 336 P HA -0.096 nan 4.420 nan 0.000 0.264 336 P C -1.213 176.151 177.300 0.108 0.000 1.179 336 P CA 0.737 63.857 63.100 0.034 0.000 0.763 336 P CB 0.180 31.864 31.700 -0.026 0.000 0.806 337 Y N -0.495 119.744 120.300 -0.102 0.000 2.641 337 Y HA 0.715 5.265 4.550 -0.000 0.000 0.333 337 Y C -1.325 174.405 175.900 -0.283 0.000 1.174 337 Y CA -1.374 56.613 58.100 -0.188 0.000 1.057 337 Y CB 1.339 39.675 38.460 -0.207 0.000 1.322 337 Y HN 0.464 nan 8.280 nan 0.000 0.457 338 E N 1.561 121.512 120.200 -0.416 0.000 2.407 338 E HA 0.666 5.016 4.350 -0.000 0.000 0.279 338 E C -2.167 174.179 176.600 -0.422 0.000 1.012 338 E CA -0.814 55.309 56.400 -0.462 0.000 0.800 338 E CB 2.288 31.858 29.700 -0.217 0.000 1.276 338 E HN 0.382 nan 8.360 nan 0.000 0.452 339 F N 0.241 120.255 119.950 0.106 0.000 2.522 339 F HA 0.517 5.045 4.527 0.000 0.000 0.324 339 F C 1.211 177.079 175.800 0.112 0.000 1.077 339 F CA -0.608 57.476 58.000 0.140 0.000 0.944 339 F CB 2.421 41.514 39.000 0.155 0.000 1.175 339 F HN 0.726 nan 8.300 nan 0.000 0.468 340 T N -2.162 112.592 114.554 0.334 0.000 2.959 340 T HA 0.626 4.976 4.350 -0.000 0.000 0.254 340 T C 0.498 175.332 174.700 0.223 0.000 1.003 340 T CA 0.264 62.499 62.100 0.224 0.000 0.950 340 T CB 0.274 69.246 68.868 0.173 0.000 1.090 340 T HN 0.899 nan 8.240 nan 0.000 0.503 341 G N 0.190 109.136 108.800 0.243 0.000 2.430 341 G HA2 0.534 4.494 3.960 -0.000 0.000 0.300 341 G HA3 0.534 4.494 3.960 -0.000 0.000 0.300 341 G C -0.891 174.081 174.900 0.121 0.000 1.330 341 G CA -0.923 44.287 45.100 0.183 0.000 0.813 341 G HN 0.024 nan 8.290 nan 0.000 0.487 342 R N -0.924 119.621 120.500 0.075 0.000 2.539 342 R HA 0.263 4.603 4.340 -0.000 0.000 0.342 342 R C 1.072 177.375 176.300 0.005 0.000 0.941 342 R CA 0.168 56.278 56.100 0.017 0.000 1.146 342 R CB 1.576 31.875 30.300 -0.001 0.000 1.541 342 R HN 0.669 nan 8.270 nan 0.000 0.525 343 G N 0.561 109.365 108.800 0.007 0.000 2.572 343 G HA2 0.143 4.103 3.960 -0.000 0.000 0.261 343 G HA3 0.143 4.103 3.960 -0.000 0.000 0.261 343 G C -0.438 174.451 174.900 -0.018 0.000 1.197 343 G CA -0.336 44.749 45.100 -0.025 0.000 0.870 343 G HN -0.088 nan 8.290 nan 0.000 0.548 344 D N -0.700 119.687 120.400 -0.021 0.000 2.411 344 D HA 0.270 4.910 4.640 -0.000 0.000 0.251 344 D C 0.456 176.745 176.300 -0.018 0.000 1.201 344 D CA 0.066 54.048 54.000 -0.029 0.000 0.996 344 D CB 0.848 41.636 40.800 -0.021 0.000 1.101 344 D HN 0.227 nan 8.370 nan 0.000 0.504 345 R N 0.939 121.424 120.500 -0.024 0.000 2.937 345 R HA 0.279 4.619 4.340 -0.000 0.000 0.264 345 R C -0.328 175.975 176.300 0.005 0.000 1.334 345 R CA -0.666 55.442 56.100 0.013 0.000 1.516 345 R CB 0.307 30.621 30.300 0.024 0.000 1.187 345 R HN 0.245 nan 8.270 nan 0.000 0.609 346 I N 2.166 122.734 120.570 -0.003 0.000 2.668 346 I HA 0.092 4.262 4.170 -0.000 0.000 0.285 346 I C 1.349 177.452 176.117 -0.023 0.000 1.168 346 I CA 1.171 62.458 61.300 -0.022 0.000 1.424 346 I CB -0.333 37.657 38.000 -0.017 0.000 1.377 346 I HN 0.834 nan 8.210 nan 0.000 0.560 347 G N 6.697 115.443 108.800 -0.090 0.000 2.447 347 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.220 347 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.220 347 G C -1.329 173.512 174.900 -0.099 0.000 1.261 347 G CA -0.874 44.162 45.100 -0.107 0.000 1.000 347 G HN 0.528 nan 8.290 nan 0.000 0.515 348 W N 0.426 121.795 121.300 0.115 0.000 2.316 348 W HA 0.535 5.195 4.660 0.000 0.000 0.311 348 W C 0.725 177.426 176.519 0.302 0.000 1.217 348 W CA 0.147 57.625 57.345 0.222 0.000 1.199 348 W CB 1.630 31.206 29.460 0.195 0.000 1.202 348 W HN 0.821 nan 8.180 nan 0.000 0.528 349 V N 0.906 121.185 119.914 0.608 0.000 2.841 349 V HA 0.512 4.632 4.120 -0.000 0.000 0.310 349 V C -0.606 175.521 176.094 0.054 0.000 1.090 349 V CA -1.954 60.538 62.300 0.321 0.000 0.930 349 V CB 1.670 33.618 31.823 0.207 0.000 1.014 349 V HN 0.500 nan 8.190 nan 0.000 0.425 350 K N 2.525 122.691 120.400 -0.390 0.000 2.339 350 K HA 0.594 4.914 4.320 -0.000 0.000 0.286 350 K C 0.633 176.920 176.600 -0.523 0.000 1.050 350 K CA 0.590 56.288 56.287 -0.982 0.000 0.956 350 K CB 0.879 32.836 32.500 -0.906 0.000 0.990 350 K HN 1.128 nan 8.250 nan 0.000 0.475 351 G N 3.722 112.150 108.800 -0.621 0.000 2.773 351 G HA2 0.364 4.324 3.960 -0.000 0.000 0.186 351 G HA3 0.364 4.324 3.960 -0.000 0.000 0.186 351 G C -0.014 174.738 174.900 -0.247 0.000 1.411 351 G CA -0.798 44.072 45.100 -0.382 0.000 1.054 351 G HN 0.731 nan 8.290 nan 0.000 0.579 352 I N -2.481 118.014 120.570 -0.126 0.000 2.797 352 I HA 0.515 4.685 4.170 -0.000 0.000 0.310 352 I C 0.159 176.228 176.117 -0.081 0.000 0.990 352 I CA -0.680 60.577 61.300 -0.072 0.000 1.228 352 I CB 1.171 39.172 38.000 0.001 0.000 1.406 352 I HN 0.522 nan 8.210 nan 0.000 0.534 353 D N 1.965 122.335 120.400 -0.051 0.000 3.798 353 D HA -0.283 4.357 4.640 -0.000 0.000 0.150 353 D C 0.313 176.585 176.300 -0.047 0.000 0.953 353 D CA 1.844 55.826 54.000 -0.030 0.000 1.089 353 D CB -0.862 39.935 40.800 -0.005 0.000 0.535 353 D HN 1.036 nan 8.370 nan 0.000 0.563 354 D N 1.158 121.551 120.400 -0.012 0.000 2.462 354 D HA 0.087 4.727 4.640 -0.000 0.000 0.221 354 D C -0.277 176.070 176.300 0.079 0.000 1.173 354 D CA -0.195 53.826 54.000 0.034 0.000 0.831 354 D CB -0.842 40.000 40.800 0.071 0.000 1.001 354 D HN 0.374 nan 8.370 nan 0.000 0.499 355 N N 0.015 118.696 118.700 -0.032 0.000 2.524 355 N HA 0.356 5.096 4.740 -0.000 0.000 0.283 355 N C -0.982 174.387 175.510 -0.235 0.000 1.142 355 N CA -0.377 52.667 53.050 -0.009 0.000 0.984 355 N CB 0.813 39.282 38.487 -0.031 0.000 1.155 355 N HN 0.035 nan 8.380 nan 0.000 0.467 356 W N -0.062 121.162 121.300 -0.127 0.000 2.882 356 W HA 0.365 5.025 4.660 -0.000 0.000 0.345 356 W C -0.421 176.094 176.519 -0.006 0.000 1.125 356 W CA -0.499 56.804 57.345 -0.070 0.000 1.167 356 W CB 1.050 30.547 29.460 0.061 0.000 1.431 356 W HN 0.319 nan 8.180 nan 0.000 0.543 357 H N 2.756 122.140 119.070 0.524 0.000 2.589 357 H HA 0.425 4.981 4.556 -0.000 0.000 0.335 357 H C -1.207 174.189 175.328 0.115 0.000 1.019 357 H CA -0.957 55.243 56.048 0.253 0.000 1.213 357 H CB 1.828 31.638 29.762 0.080 0.000 1.472 357 H HN 0.225 nan 8.280 nan 0.000 0.508 358 L N 3.475 124.602 121.223 -0.160 0.000 2.277 358 L HA 0.321 4.661 4.340 -0.000 0.000 0.284 358 L C -0.225 176.393 176.870 -0.420 0.000 1.028 358 L CA -0.134 54.275 54.840 -0.718 0.000 0.835 358 L CB 0.940 42.117 42.059 -1.470 0.000 1.215 358 L HN 0.457 nan 8.230 nan 0.000 0.425 359 T N 6.367 120.749 114.554 -0.286 0.000 2.771 359 T HA 0.491 4.841 4.350 -0.000 0.000 0.291 359 T C -0.003 174.564 174.700 -0.223 0.000 0.954 359 T CA -0.163 61.805 62.100 -0.219 0.000 1.045 359 T CB 0.486 69.279 68.868 -0.126 0.000 0.917 359 T HN 0.410 nan 8.240 nan 0.000 0.484 360 L N 3.755 124.839 121.223 -0.231 0.000 2.282 360 L HA 0.500 4.840 4.340 -0.000 0.000 0.288 360 L C -0.041 176.782 176.870 -0.078 0.000 1.033 360 L CA -1.034 53.700 54.840 -0.178 0.000 0.807 360 L CB 0.776 42.684 42.059 -0.252 0.000 1.209 360 L HN 0.588 nan 8.230 nan 0.000 0.423 361 F N 5.401 125.275 119.950 -0.128 0.000 2.467 361 F HA 0.454 4.980 4.527 -0.000 0.000 0.362 361 F C -0.255 175.504 175.800 -0.068 0.000 1.090 361 F CA -0.194 57.752 58.000 -0.088 0.000 1.202 361 F CB 0.332 39.290 39.000 -0.071 0.000 1.113 361 F HN 0.213 nan 8.300 nan 0.000 0.541 362 I N 6.115 126.146 120.570 -0.897 0.000 2.476 362 I HA 0.139 4.309 4.170 -0.000 0.000 0.281 362 I C -0.501 175.055 176.117 -0.935 0.000 1.040 362 I CA -0.768 60.109 61.300 -0.705 0.000 1.094 362 I CB 1.626 39.439 38.000 -0.312 0.000 1.219 362 I HN 0.595 nan 8.210 nan 0.000 0.450 363 E N 6.924 126.595 120.200 -0.881 0.000 2.406 363 E HA -0.026 4.324 4.350 -0.000 0.000 0.258 363 E C 0.290 176.778 176.600 -0.186 0.000 1.043 363 E CA 0.412 56.545 56.400 -0.444 0.000 0.929 363 E CB 0.236 29.888 29.700 -0.080 0.000 0.969 363 E HN 0.575 nan 8.360 nan 0.000 0.462 364 N N 3.331 121.961 118.700 -0.116 0.000 2.778 364 N HA -0.241 4.499 4.740 -0.000 0.000 0.249 364 N C 0.710 176.201 175.510 -0.032 0.000 1.069 364 N CA 1.121 54.152 53.050 -0.032 0.000 0.831 364 N CB -1.515 36.983 38.487 0.018 0.000 1.142 364 N HN 0.863 nan 8.380 nan 0.000 0.573 365 G N 0.128 108.872 108.800 -0.094 0.000 2.187 365 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.261 365 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.261 365 G C 0.138 175.048 174.900 0.016 0.000 1.000 365 G CA 0.912 45.981 45.100 -0.051 0.000 0.718 365 G HN 0.614 nan 8.290 nan 0.000 0.519 366 R N 0.432 120.954 120.500 0.036 0.000 2.220 366 R HA 0.571 4.911 4.340 -0.000 0.000 0.340 366 R C 0.311 176.681 176.300 0.117 0.000 1.076 366 R CA -0.695 55.467 56.100 0.103 0.000 0.920 366 R CB -0.163 30.227 30.300 0.149 0.000 1.062 366 R HN 0.281 nan 8.270 nan 0.000 0.469 367 I N 6.240 126.867 120.570 0.094 0.000 2.291 367 I HA 0.277 4.446 4.170 -0.000 0.000 0.290 367 I C -0.778 175.345 176.117 0.010 0.000 1.050 367 I CA -0.573 60.773 61.300 0.078 0.000 1.245 367 I CB 0.749 38.833 38.000 0.140 0.000 1.405 367 I HN 0.419 nan 8.210 nan 0.000 0.478 368 L N 6.067 127.215 121.223 -0.124 0.000 2.582 368 L HA 0.483 4.823 4.340 -0.000 0.000 0.257 368 L C -1.399 175.155 176.870 -0.527 0.000 0.974 368 L CA -0.471 54.176 54.840 -0.321 0.000 0.851 368 L CB 2.229 44.023 42.059 -0.442 0.000 1.424 368 L HN 0.281 nan 8.230 nan 0.000 0.412 369 D N 2.258 122.435 120.400 -0.370 0.000 2.317 369 D HA 0.341 4.981 4.640 -0.000 0.000 0.252 369 D C -1.057 175.019 176.300 -0.372 0.000 1.174 369 D CA 0.621 54.463 54.000 -0.264 0.000 0.866 369 D CB 0.452 41.190 40.800 -0.104 0.000 1.127 369 D HN 0.227 nan 8.370 nan 0.000 0.467 370 Y N 1.489 121.811 120.300 0.037 0.000 2.496 370 Y HA 0.355 4.905 4.550 -0.000 0.000 0.331 370 Y C -1.808 174.109 175.900 0.029 0.000 1.140 370 Y CA -2.730 55.391 58.100 0.034 0.000 1.166 370 Y CB 0.660 39.140 38.460 0.034 0.000 1.249 370 Y HN 0.174 nan 8.280 nan 0.000 0.479 371 P HA 0.177 nan 4.420 nan 0.000 0.266 371 P C -0.059 177.303 177.300 0.104 0.000 1.215 371 P CA 1.400 64.568 63.100 0.114 0.000 0.763 371 P CB 0.604 32.360 31.700 0.095 0.000 0.806 372 A N 3.571 126.437 122.820 0.077 0.000 3.383 372 A HA -0.248 4.072 4.320 -0.000 0.000 0.264 372 A C 0.595 178.224 177.584 0.074 0.000 1.154 372 A CA 0.984 53.059 52.037 0.063 0.000 1.179 372 A CB -2.060 16.971 19.000 0.051 0.000 1.133 372 A HN 0.610 nan 8.150 nan 0.000 0.933 373 R N -0.596 119.969 120.500 0.108 0.000 2.687 373 R HA 0.260 4.600 4.340 -0.000 0.000 0.264 373 R C -2.971 173.398 176.300 0.115 0.000 1.715 373 R CA -1.055 55.117 56.100 0.121 0.000 1.633 373 R CB 1.439 31.840 30.300 0.170 0.000 1.353 373 R HN 0.316 nan 8.270 nan 0.000 0.653 374 P HA 0.021 nan 4.420 nan 0.000 0.241 374 P C 0.771 178.086 177.300 0.025 0.000 1.760 374 P CA 0.118 63.234 63.100 0.028 0.000 1.081 374 P CB 0.103 31.818 31.700 0.025 0.000 1.975 375 L N 0.907 122.148 121.223 0.030 0.000 2.042 375 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 375 L C 2.668 179.558 176.870 0.033 0.000 1.076 375 L CA 1.753 56.611 54.840 0.031 0.000 0.749 375 L CB -0.928 41.167 42.059 0.059 0.000 0.893 375 L HN 0.189 nan 8.230 nan 0.000 0.432 376 K N -0.192 120.221 120.400 0.021 0.000 2.057 376 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 376 K C 2.055 178.716 176.600 0.102 0.000 1.050 376 K CA 1.668 57.999 56.287 0.073 0.000 0.935 376 K CB 0.015 32.529 32.500 0.024 0.000 0.715 376 K HN 0.162 nan 8.250 nan 0.000 0.439 377 T N -0.183 114.407 114.554 0.059 0.000 2.857 377 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 377 T C 1.679 176.421 174.700 0.071 0.000 1.048 377 T CA 1.154 63.293 62.100 0.066 0.000 1.139 377 T CB -0.320 68.572 68.868 0.039 0.000 0.874 377 T HN 0.509 nan 8.240 nan 0.000 0.455 378 G N 1.454 110.282 108.800 0.047 0.000 2.440 378 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 378 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 378 G C 1.433 176.342 174.900 0.016 0.000 1.154 378 G CA 0.486 45.600 45.100 0.024 0.000 0.767 378 G HN 0.446 nan 8.290 nan 0.000 0.552 379 L N -0.424 120.816 121.223 0.029 0.000 2.217 379 L HA 0.078 4.418 4.340 -0.000 0.000 0.211 379 L C 2.599 179.561 176.870 0.153 0.000 1.107 379 L CA 0.078 54.903 54.840 -0.025 0.000 0.783 379 L CB -0.219 41.813 42.059 -0.045 0.000 0.919 379 L HN 0.210 nan 8.230 nan 0.000 0.442 380 L N -0.401 120.970 121.223 0.247 0.000 2.044 380 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 380 L C 2.549 179.526 176.870 0.177 0.000 1.075 380 L CA 1.705 56.712 54.840 0.278 0.000 0.747 380 L CB -0.505 41.682 42.059 0.213 0.000 0.903 380 L HN 0.102 nan 8.230 nan 0.000 0.435 381 E N 0.052 120.323 120.200 0.118 0.000 2.085 381 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 381 E C 2.338 178.998 176.600 0.099 0.000 0.994 381 E CA 1.812 58.266 56.400 0.090 0.000 0.801 381 E CB -0.376 29.361 29.700 0.062 0.000 0.743 381 E HN 0.580 nan 8.360 nan 0.000 0.453 382 I N 0.862 121.490 120.570 0.095 0.000 2.226 382 I HA -0.247 3.922 4.170 -0.000 0.000 0.245 382 I C 2.400 178.649 176.117 0.221 0.000 1.100 382 I CA 1.043 62.413 61.300 0.117 0.000 1.374 382 I CB -0.326 37.686 38.000 0.020 0.000 1.057 382 I HN -0.002 nan 8.210 nan 0.000 0.413 383 A N 0.796 123.771 122.820 0.259 0.000 1.972 383 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 383 A C 2.274 179.919 177.584 0.101 0.000 1.169 383 A CA 1.507 53.642 52.037 0.164 0.000 0.635 383 A CB -0.404 18.704 19.000 0.181 0.000 0.810 383 A HN 0.359 nan 8.150 nan 0.000 0.446 384 K N -0.378 120.092 120.400 0.117 0.000 2.155 384 K HA -0.010 4.310 4.320 -0.000 0.000 0.203 384 K C 1.582 178.224 176.600 0.071 0.000 1.052 384 K CA 1.569 57.905 56.287 0.081 0.000 0.948 384 K CB -0.273 32.273 32.500 0.077 0.000 0.728 384 K HN 0.820 nan 8.250 nan 0.000 0.448 385 I N -2.304 118.326 120.570 0.099 0.000 4.018 385 I HA 0.148 4.318 4.170 -0.000 0.000 0.337 385 I C 0.382 176.585 176.117 0.142 0.000 1.327 385 I CA -0.509 60.848 61.300 0.096 0.000 1.100 385 I CB -0.092 37.962 38.000 0.090 0.000 1.025 385 I HN -0.097 nan 8.210 nan 0.000 0.396 386 H N 2.651 121.747 119.070 0.042 0.000 2.722 386 H HA 0.291 4.847 4.556 -0.000 0.000 0.328 386 H C 0.870 176.203 175.328 0.009 0.000 1.067 386 H CA -0.079 55.999 56.048 0.050 0.000 1.447 386 H CB 1.056 30.868 29.762 0.083 0.000 1.469 386 H HN -0.021 nan 8.280 nan 0.000 0.544 387 K N 3.498 123.702 120.400 -0.326 0.000 1.965 387 K HA -0.012 4.308 4.320 -0.000 0.000 0.214 387 K C 1.513 177.782 176.600 -0.552 0.000 1.046 387 K CA 1.203 57.291 56.287 -0.332 0.000 0.944 387 K CB -0.701 31.726 32.500 -0.123 0.000 0.726 387 K HN 0.776 nan 8.250 nan 0.000 0.441 388 G N 1.505 109.798 108.800 -0.844 0.000 2.935 388 G HA2 0.097 4.057 3.960 -0.000 0.000 0.157 388 G HA3 0.097 4.057 3.960 -0.000 0.000 0.157 388 G C -0.200 174.427 174.900 -0.456 0.000 1.712 388 G CA 0.393 45.221 45.100 -0.454 0.000 1.071 388 G HN 0.403 nan 8.290 nan 0.000 0.539 389 D N -2.042 118.315 120.400 -0.072 0.000 2.758 389 D HA 0.596 5.236 4.640 -0.000 0.000 0.279 389 D C -1.123 175.319 176.300 0.236 0.000 1.111 389 D CA -0.813 53.154 54.000 -0.056 0.000 1.109 389 D CB 0.644 41.399 40.800 -0.076 0.000 1.428 389 D HN 0.146 nan 8.370 nan 0.000 0.586 390 F N -0.887 119.081 119.950 0.029 0.000 2.523 390 F HA 0.613 5.140 4.527 -0.000 0.000 0.329 390 F C 0.352 176.105 175.800 -0.080 0.000 1.061 390 F CA -1.059 56.888 58.000 -0.089 0.000 0.967 390 F CB 1.482 40.346 39.000 -0.226 0.000 1.218 390 F HN 0.050 nan 8.300 nan 0.000 0.480 391 R N 1.850 122.397 120.500 0.079 0.000 2.502 391 R HA 0.573 4.913 4.340 -0.000 0.000 0.300 391 R C -1.223 175.072 176.300 -0.008 0.000 0.984 391 R CA -0.666 55.434 56.100 0.000 0.000 0.882 391 R CB 2.282 32.512 30.300 -0.116 0.000 1.180 391 R HN 0.523 nan 8.270 nan 0.000 0.444 392 I N 2.799 123.402 120.570 0.055 0.000 2.371 392 I HA 0.107 4.277 4.170 -0.000 0.000 0.290 392 I C 1.170 177.298 176.117 0.018 0.000 1.028 392 I CA -0.173 61.159 61.300 0.053 0.000 1.345 392 I CB 1.402 39.484 38.000 0.136 0.000 1.407 392 I HN 0.621 nan 8.210 nan 0.000 0.501 393 T N 2.579 117.124 114.554 -0.016 0.000 2.902 393 T HA 0.436 4.786 4.350 -0.000 0.000 0.280 393 T C 1.011 175.705 174.700 -0.009 0.000 0.992 393 T CA -0.445 61.642 62.100 -0.021 0.000 1.015 393 T CB 1.767 70.609 68.868 -0.044 0.000 1.044 393 T HN 0.641 nan 8.240 nan 0.000 0.520 394 A N 1.285 124.098 122.820 -0.011 0.000 2.239 394 A HA 0.093 4.413 4.320 -0.000 0.000 0.209 394 A C 1.736 179.312 177.584 -0.014 0.000 1.171 394 A CA 0.307 52.336 52.037 -0.014 0.000 0.768 394 A CB -0.687 18.300 19.000 -0.022 0.000 0.790 394 A HN 0.828 nan 8.150 nan 0.000 0.478 395 N N -0.279 118.413 118.700 -0.013 0.000 2.214 395 N HA 0.088 4.828 4.740 -0.000 0.000 0.214 395 N C -0.572 174.931 175.510 -0.013 0.000 1.132 395 N CA 0.150 53.198 53.050 -0.004 0.000 0.856 395 N CB 0.386 38.877 38.487 0.006 0.000 1.020 395 N HN 0.527 nan 8.380 nan 0.000 0.509 396 Q N -0.187 119.601 119.800 -0.021 0.000 2.493 396 Q HA -0.131 4.209 4.340 -0.000 0.000 0.278 396 Q C -0.904 175.049 176.000 -0.079 0.000 1.216 396 Q CA 0.620 56.402 55.803 -0.034 0.000 0.875 396 Q CB -1.309 27.409 28.738 -0.033 0.000 1.262 396 Q HN 0.320 nan 8.270 nan 0.000 0.468 397 N N -0.058 118.596 118.700 -0.076 0.000 2.653 397 N HA 0.776 5.516 4.740 -0.000 0.000 0.294 397 N C -1.328 174.107 175.510 -0.125 0.000 1.305 397 N CA -0.722 52.256 53.050 -0.119 0.000 0.827 397 N CB 1.446 39.882 38.487 -0.084 0.000 1.415 397 N HN 0.081 nan 8.380 nan 0.000 0.546 398 L N 0.801 121.908 121.223 -0.194 0.000 2.410 398 L HA 0.603 4.943 4.340 -0.000 0.000 0.270 398 L C -1.284 175.393 176.870 -0.322 0.000 0.983 398 L CA -0.385 54.290 54.840 -0.275 0.000 0.822 398 L CB 1.295 43.098 42.059 -0.427 0.000 1.285 398 L HN 0.465 nan 8.230 nan 0.000 0.409 399 I N 5.920 126.319 120.570 -0.284 0.000 2.339 399 I HA 0.359 4.529 4.170 -0.000 0.000 0.290 399 I C -0.392 175.566 176.117 -0.265 0.000 0.994 399 I CA -0.444 60.700 61.300 -0.259 0.000 1.191 399 I CB 1.481 39.357 38.000 -0.207 0.000 1.343 399 I HN 0.484 nan 8.210 nan 0.000 0.458 400 I N 6.529 126.906 120.570 -0.321 0.000 2.278 400 I HA 0.273 4.443 4.170 -0.000 0.000 0.296 400 I C 0.689 176.804 176.117 -0.004 0.000 1.121 400 I CA 0.022 61.152 61.300 -0.283 0.000 1.267 400 I CB 0.569 38.273 38.000 -0.493 0.000 1.447 400 I HN 0.603 nan 8.210 nan 0.000 0.509 401 A N 4.669 127.623 122.820 0.224 0.000 2.327 401 A HA 0.642 4.962 4.320 -0.000 0.000 0.283 401 A C 1.016 178.926 177.584 0.543 0.000 1.127 401 A CA 0.110 52.366 52.037 0.365 0.000 0.810 401 A CB 0.515 19.549 19.000 0.057 0.000 1.066 401 A HN 1.041 nan 8.150 nan 0.000 0.492 402 G N 0.877 110.025 108.800 0.579 0.000 2.324 402 G HA2 -0.051 3.908 3.960 -0.000 0.000 0.292 402 G HA3 -0.051 3.908 3.960 -0.000 0.000 0.292 402 G C -0.147 174.970 174.900 0.362 0.000 1.079 402 G CA 0.105 45.413 45.100 0.347 0.000 1.026 402 G HN 1.297 nan 8.290 nan 0.000 0.506 403 V N 1.380 121.550 119.914 0.426 0.000 2.432 403 V HA 0.377 4.497 4.120 -0.000 0.000 0.275 403 V C -1.349 174.920 176.094 0.291 0.000 1.043 403 V CA -1.544 61.006 62.300 0.417 0.000 0.925 403 V CB 1.689 33.830 31.823 0.529 0.000 0.985 403 V HN 0.250 nan 8.190 nan 0.000 0.466 404 P HA 0.096 nan 4.420 nan 0.000 0.271 404 P C 0.883 178.241 177.300 0.097 0.000 1.218 404 P CA -0.108 63.078 63.100 0.143 0.000 0.780 404 P CB 0.754 32.505 31.700 0.085 0.000 0.901 405 E N 1.724 121.998 120.200 0.124 0.000 2.130 405 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 405 E C 1.416 177.908 176.600 -0.180 0.000 0.998 405 E CA 1.932 58.283 56.400 -0.082 0.000 0.806 405 E CB -0.156 29.578 29.700 0.057 0.000 0.738 405 E HN 0.495 nan 8.360 nan 0.000 0.459 406 S N -0.119 115.538 115.700 -0.072 0.000 2.474 406 S HA -0.066 4.404 4.470 -0.000 0.000 0.235 406 S C 1.418 175.977 174.600 -0.068 0.000 0.997 406 S CA 0.643 58.800 58.200 -0.071 0.000 0.949 406 S CB 0.094 63.278 63.200 -0.027 0.000 0.766 406 S HN 0.209 nan 8.310 nan 0.000 0.517 407 E N 1.333 121.506 120.200 -0.046 0.000 2.472 407 E HA 0.195 4.545 4.350 -0.000 0.000 0.196 407 E C 1.479 178.065 176.600 -0.024 0.000 1.033 407 E CA 0.059 56.461 56.400 0.002 0.000 0.886 407 E CB -0.072 29.678 29.700 0.084 0.000 0.944 407 E HN 0.610 nan 8.360 nan 0.000 0.492 408 K N 1.177 121.455 120.400 -0.204 0.000 2.020 408 K HA -0.153 4.167 4.320 -0.000 0.000 0.212 408 K C 2.131 178.643 176.600 -0.147 0.000 1.050 408 K CA 1.672 57.716 56.287 -0.404 0.000 0.929 408 K CB -0.160 31.739 32.500 -1.002 0.000 0.714 408 K HN 0.053 nan 8.250 nan 0.000 0.443 409 A N 1.690 124.417 122.820 -0.154 0.000 1.933 409 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 409 A C 1.916 179.507 177.584 0.010 0.000 1.175 409 A CA 1.548 53.545 52.037 -0.065 0.000 0.628 409 A CB -0.287 18.662 19.000 -0.085 0.000 0.814 409 A HN 0.212 nan 8.150 nan 0.000 0.444 410 K N -0.358 120.053 120.400 0.018 0.000 2.002 410 K HA -0.085 4.235 4.320 -0.000 0.000 0.209 410 K C 1.856 178.501 176.600 0.074 0.000 1.048 410 K CA 1.470 57.782 56.287 0.042 0.000 0.930 410 K CB -0.349 32.178 32.500 0.046 0.000 0.714 410 K HN 0.370 nan 8.250 nan 0.000 0.438 411 I N 1.613 122.254 120.570 0.118 0.000 2.163 411 I HA -0.272 3.898 4.170 -0.000 0.000 0.243 411 I C 2.460 178.653 176.117 0.128 0.000 1.085 411 I CA 1.605 62.988 61.300 0.137 0.000 1.347 411 I CB -0.983 37.154 38.000 0.228 0.000 1.044 411 I HN 0.357 nan 8.210 nan 0.000 0.408 412 E N 1.134 121.468 120.200 0.223 0.000 2.153 412 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 412 E C 2.266 178.920 176.600 0.091 0.000 0.988 412 E CA 1.305 57.826 56.400 0.202 0.000 0.811 412 E CB 0.035 29.922 29.700 0.312 0.000 0.746 412 E HN 0.349 nan 8.360 nan 0.000 0.466 413 K N 0.417 120.858 120.400 0.068 0.000 2.026 413 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 413 K C 2.117 178.735 176.600 0.030 0.000 1.048 413 K CA 1.576 57.887 56.287 0.040 0.000 0.929 413 K CB -0.113 32.405 32.500 0.030 0.000 0.713 413 K HN 0.163 nan 8.250 nan 0.000 0.439 414 I N 0.909 121.496 120.570 0.030 0.000 2.163 414 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 414 I C 2.536 178.653 176.117 -0.001 0.000 1.081 414 I CA 1.177 62.487 61.300 0.017 0.000 1.353 414 I CB -0.430 37.582 38.000 0.021 0.000 1.054 414 I HN 0.232 nan 8.210 nan 0.000 0.407 415 A N 0.626 123.434 122.820 -0.020 0.000 1.917 415 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 415 A C 2.283 179.851 177.584 -0.027 0.000 1.182 415 A CA 2.110 54.115 52.037 -0.054 0.000 0.633 415 A CB -0.507 18.431 19.000 -0.103 0.000 0.819 415 A HN 0.256 nan 8.150 nan 0.000 0.448 416 K N -0.290 120.108 120.400 -0.003 0.000 2.057 416 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 416 K C 2.074 178.680 176.600 0.012 0.000 1.050 416 K CA 1.407 57.699 56.287 0.008 0.000 0.935 416 K CB -0.091 32.422 32.500 0.021 0.000 0.715 416 K HN 0.501 nan 8.250 nan 0.000 0.439 417 E N 0.033 120.241 120.200 0.013 0.000 2.058 417 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 417 E C 1.908 178.519 176.600 0.019 0.000 0.997 417 E CA 1.378 57.788 56.400 0.017 0.000 0.801 417 E CB -0.254 29.457 29.700 0.018 0.000 0.746 417 E HN 0.181 nan 8.360 nan 0.000 0.450 418 S N -0.571 115.138 115.700 0.015 0.000 2.547 418 S HA 0.059 4.529 4.470 -0.000 0.000 0.235 418 S C 1.487 176.104 174.600 0.029 0.000 0.980 418 S CA 0.740 58.952 58.200 0.020 0.000 0.941 418 S CB 0.100 63.306 63.200 0.009 0.000 0.763 418 S HN 0.539 nan 8.310 nan 0.000 0.532 419 G N 1.006 109.821 108.800 0.024 0.000 2.179 419 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 419 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 419 G C 0.652 175.569 174.900 0.030 0.000 0.977 419 G CA 0.397 45.517 45.100 0.034 0.000 0.641 419 G HN 0.511 nan 8.290 nan 0.000 0.533 420 L N -0.619 120.606 121.223 0.002 0.000 2.275 420 L HA 0.211 4.551 4.340 -0.000 0.000 0.215 420 L C 2.542 179.401 176.870 -0.019 0.000 1.119 420 L CA 1.222 56.047 54.840 -0.024 0.000 0.790 420 L CB -0.151 41.861 42.059 -0.080 0.000 0.919 420 L HN 0.394 nan 8.230 nan 0.000 0.443 421 M N -1.050 118.542 119.600 -0.013 0.000 2.560 421 M HA 0.139 4.619 4.480 -0.000 0.000 0.297 421 M C -0.286 176.021 176.300 0.012 0.000 1.201 421 M CA -0.316 54.976 55.300 -0.012 0.000 0.973 421 M CB 0.177 32.757 32.600 -0.033 0.000 1.401 421 M HN 0.036 nan 8.290 nan 0.000 0.497 422 N N 2.350 121.070 118.700 0.033 0.000 2.447 422 N HA 0.171 4.911 4.740 -0.000 0.000 0.263 422 N C -0.175 175.345 175.510 0.016 0.000 1.226 422 N CA 0.227 53.295 53.050 0.029 0.000 0.906 422 N CB 0.792 39.305 38.487 0.044 0.000 1.060 422 N HN 0.257 nan 8.380 nan 0.000 0.468 423 A N 2.058 124.871 122.820 -0.012 0.000 2.450 423 A HA 0.410 4.730 4.320 -0.000 0.000 0.255 423 A C 0.509 178.045 177.584 -0.081 0.000 1.096 423 A CA -0.387 51.623 52.037 -0.046 0.000 0.778 423 A CB 0.042 19.020 19.000 -0.037 0.000 1.031 423 A HN 0.508 nan 8.150 nan 0.000 0.494 424 V N 0.263 120.080 119.914 -0.161 0.000 3.155 424 V HA 0.886 5.006 4.120 -0.000 0.000 0.313 424 V C 0.292 176.256 176.094 -0.217 0.000 1.162 424 V CA -0.229 61.935 62.300 -0.227 0.000 1.048 424 V CB 1.186 32.737 31.823 -0.453 0.000 1.092 424 V HN 1.160 nan 8.190 nan 0.000 0.447 425 T N -1.606 112.830 114.554 -0.197 0.000 2.828 425 T HA 0.439 4.789 4.350 -0.000 0.000 0.290 425 T C -1.847 172.754 174.700 -0.166 0.000 1.019 425 T CA -1.178 60.836 62.100 -0.143 0.000 1.031 425 T CB 0.945 69.750 68.868 -0.105 0.000 1.001 425 T HN 0.595 nan 8.240 nan 0.000 0.531 426 P HA -0.101 nan 4.420 nan 0.000 0.218 426 P C 1.720 178.980 177.300 -0.068 0.000 1.149 426 P CA 0.762 63.813 63.100 -0.081 0.000 0.817 426 P CB 0.071 31.784 31.700 0.021 0.000 0.785 427 Q N 0.211 119.994 119.800 -0.028 0.000 2.050 427 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 427 Q C 2.313 178.265 176.000 -0.079 0.000 0.980 427 Q CA 1.776 57.569 55.803 -0.017 0.000 0.840 427 Q CB -0.764 27.950 28.738 -0.040 0.000 0.898 427 Q HN 0.007 nan 8.270 nan 0.000 0.424 428 R N -0.132 120.280 120.500 -0.147 0.000 2.081 428 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 428 R C 2.001 178.177 176.300 -0.206 0.000 1.131 428 R CA 1.698 57.693 56.100 -0.176 0.000 0.960 428 R CB -0.078 30.059 30.300 -0.271 0.000 0.856 428 R HN 0.404 nan 8.270 nan 0.000 0.436 429 E N -0.390 119.602 120.200 -0.345 0.000 2.204 429 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 429 E C 0.503 177.074 176.600 -0.048 0.000 0.990 429 E CA 1.098 57.340 56.400 -0.263 0.000 0.821 429 E CB 0.018 29.552 29.700 -0.277 0.000 0.750 429 E HN 0.423 nan 8.360 nan 0.000 0.477 430 N N -0.186 118.468 118.700 -0.076 0.000 2.273 430 N HA 0.096 4.836 4.740 -0.000 0.000 0.231 430 N C -1.160 174.366 175.510 0.026 0.000 1.134 430 N CA -0.102 52.922 53.050 -0.042 0.000 0.856 430 N CB 1.097 39.511 38.487 -0.121 0.000 1.068 430 N HN -0.150 nan 8.380 nan 0.000 0.510 431 S N 0.561 116.294 115.700 0.054 0.000 2.578 431 S HA 0.635 5.105 4.470 -0.000 0.000 0.301 431 S C -0.631 174.027 174.600 0.096 0.000 1.091 431 S CA -0.678 57.566 58.200 0.072 0.000 1.032 431 S CB 1.970 65.211 63.200 0.067 0.000 1.064 431 S HN 0.201 nan 8.310 nan 0.000 0.508 432 M N 1.953 121.604 119.600 0.085 0.000 2.520 432 M HA 0.749 5.229 4.480 -0.000 0.000 0.280 432 M C -2.141 174.203 176.300 0.073 0.000 1.232 432 M CA -0.429 54.915 55.300 0.073 0.000 0.892 432 M CB 1.811 34.440 32.600 0.047 0.000 1.728 432 M HN 0.774 nan 8.290 nan 0.000 0.475 433 A N 1.873 124.732 122.820 0.065 0.000 2.572 433 A HA 0.779 5.099 4.320 -0.000 0.000 0.295 433 A C -0.672 176.937 177.584 0.042 0.000 1.072 433 A CA -0.683 51.394 52.037 0.067 0.000 0.691 433 A CB 0.615 19.677 19.000 0.104 0.000 1.291 433 A HN 1.292 nan 8.150 nan 0.000 0.404 434 C N 0.080 119.397 119.300 0.029 0.000 2.470 434 C HA 0.626 5.086 4.460 -0.000 0.000 0.350 434 C C 1.756 176.750 174.990 0.006 0.000 1.341 434 C CA 0.003 59.026 59.018 0.008 0.000 2.440 434 C CB -0.316 27.415 27.740 -0.014 0.000 2.295 434 C HN 0.754 nan 8.230 nan 0.000 0.645 435 V N 1.293 121.202 119.914 -0.010 0.000 2.233 435 V HA -0.079 4.041 4.120 -0.000 0.000 0.247 435 V C 1.947 177.998 176.094 -0.072 0.000 1.050 435 V CA 2.643 64.921 62.300 -0.036 0.000 1.010 435 V CB -1.405 30.395 31.823 -0.039 0.000 0.637 435 V HN 1.426 nan 8.190 nan 0.000 0.444 436 S N -1.555 114.073 115.700 -0.119 0.000 3.525 436 S HA -0.258 4.212 4.470 -0.000 0.000 0.629 436 S C -0.203 174.253 174.600 -0.240 0.000 2.621 436 S CA 0.749 58.810 58.200 -0.231 0.000 3.752 436 S CB -1.468 61.633 63.200 -0.165 0.000 0.260 436 S HN 0.294 nan 8.310 nan 0.000 1.214 437 F N 3.538 123.471 119.950 -0.028 0.000 2.539 437 F HA 0.309 4.836 4.527 0.000 0.000 0.340 437 F C -0.359 175.397 175.800 -0.074 0.000 1.185 437 F CA -0.616 57.362 58.000 -0.037 0.000 1.333 437 F CB -0.014 38.983 39.000 -0.005 0.000 1.152 437 F HN 0.376 nan 8.300 nan 0.000 0.602 438 P HA -0.003 nan 4.420 nan 0.000 0.251 438 P C 0.861 178.229 177.300 0.113 0.000 1.223 438 P CA 0.902 64.122 63.100 0.200 0.000 0.796 438 P CB -0.022 31.770 31.700 0.153 0.000 1.068 439 T N -3.875 110.631 114.554 -0.081 0.000 3.051 439 T HA 0.052 4.402 4.350 -0.000 0.000 0.255 439 T C 1.002 175.679 174.700 -0.038 0.000 1.085 439 T CA -0.109 61.937 62.100 -0.090 0.000 1.109 439 T CB -1.172 67.516 68.868 -0.301 0.000 0.921 439 T HN 0.030 nan 8.240 nan 0.000 0.488 440 C N 4.950 124.196 119.300 -0.091 0.000 2.576 440 C HA 0.430 4.890 4.460 -0.000 0.000 0.401 440 C C -0.545 174.394 174.990 -0.085 0.000 1.314 440 C CA -1.892 57.066 59.018 -0.100 0.000 1.855 440 C CB 0.882 28.519 27.740 -0.172 0.000 2.537 440 C HN 0.385 nan 8.230 nan 0.000 0.578 441 P HA -0.031 nan 4.420 nan 0.000 0.229 441 P C 0.756 178.040 177.300 -0.026 0.000 1.160 441 P CA 1.258 64.360 63.100 0.004 0.000 0.777 441 P CB 0.109 31.823 31.700 0.022 0.000 0.814 442 L N -1.440 119.737 121.223 -0.077 0.000 2.640 442 L HA 0.337 4.677 4.340 -0.000 0.000 0.230 442 L C 1.168 177.943 176.870 -0.159 0.000 1.123 442 L CA -0.467 54.324 54.840 -0.082 0.000 0.900 442 L CB -0.422 41.598 42.059 -0.064 0.000 1.146 442 L HN -0.194 nan 8.230 nan 0.000 0.484 443 A N 0.479 123.103 122.820 -0.327 0.000 2.546 443 A HA 0.211 4.531 4.320 -0.000 0.000 0.243 443 A C 1.051 178.382 177.584 -0.422 0.000 1.063 443 A CA 0.329 52.008 52.037 -0.595 0.000 0.757 443 A CB 0.378 18.568 19.000 -1.350 0.000 0.991 443 A HN 0.345 nan 8.150 nan 0.000 0.503 444 M N 1.419 120.889 119.600 -0.216 0.000 2.615 444 M HA 0.262 4.742 4.480 -0.000 0.000 0.262 444 M C 0.764 177.098 176.300 0.057 0.000 1.198 444 M CA 1.132 56.423 55.300 -0.015 0.000 1.165 444 M CB 0.323 32.925 32.600 0.005 0.000 1.310 444 M HN 0.801 nan 8.290 nan 0.000 0.494 445 A N 0.098 122.902 122.820 -0.027 0.000 2.556 445 A HA 0.554 4.873 4.320 -0.000 0.000 0.294 445 A C -0.872 176.780 177.584 0.112 0.000 1.091 445 A CA -0.841 51.186 52.037 -0.015 0.000 0.704 445 A CB 1.204 19.903 19.000 -0.502 0.000 1.300 445 A HN 0.109 nan 8.150 nan 0.000 0.406 446 E N -0.011 120.330 120.200 0.236 0.000 2.415 446 E HA 0.362 4.712 4.350 -0.000 0.000 0.262 446 E C 0.745 177.471 176.600 0.210 0.000 1.038 446 E CA 0.782 57.359 56.400 0.296 0.000 0.921 446 E CB 1.445 31.326 29.700 0.302 0.000 0.950 446 E HN 0.758 nan 8.360 nan 0.000 0.438 447 A N 2.784 125.722 122.820 0.198 0.000 1.848 447 A HA -0.006 4.313 4.320 -0.000 0.000 0.184 447 A C 1.817 179.528 177.584 0.211 0.000 1.946 447 A CA 0.548 52.697 52.037 0.187 0.000 1.093 447 A CB -0.361 18.692 19.000 0.088 0.000 1.014 447 A HN 0.621 nan 8.150 nan 0.000 0.638 448 E N 0.526 120.805 120.200 0.133 0.000 2.049 448 E HA -0.223 4.127 4.350 -0.000 0.000 0.198 448 E C 1.869 178.552 176.600 0.138 0.000 1.007 448 E CA 1.619 58.085 56.400 0.110 0.000 0.809 448 E CB -0.170 29.566 29.700 0.060 0.000 0.749 448 E HN 0.484 nan 8.360 nan 0.000 0.450 449 R N -0.789 119.808 120.500 0.162 0.000 2.316 449 R HA -0.062 4.278 4.340 -0.000 0.000 0.202 449 R C 1.931 178.362 176.300 0.218 0.000 1.029 449 R CA 0.785 56.983 56.100 0.163 0.000 1.018 449 R CB -0.159 30.235 30.300 0.158 0.000 0.888 449 R HN 0.316 nan 8.270 nan 0.000 0.471 450 F N 0.387 120.390 119.950 0.089 0.000 2.505 450 F HA 0.053 4.580 4.527 0.000 0.000 0.289 450 F C 1.780 177.642 175.800 0.104 0.000 1.101 450 F CA 0.074 58.126 58.000 0.086 0.000 1.446 450 F CB -0.044 39.001 39.000 0.075 0.000 1.123 450 F HN -0.162 nan 8.300 nan 0.000 0.564 451 L N 1.843 123.117 121.223 0.086 0.000 1.997 451 L HA -0.128 4.212 4.340 -0.000 0.000 0.216 451 L C -0.822 176.042 176.870 -0.010 0.000 1.074 451 L CA 2.510 57.375 54.840 0.042 0.000 0.763 451 L CB -1.816 40.317 42.059 0.123 0.000 0.890 451 L HN 0.017 nan 8.230 nan 0.000 0.434 452 P HA -0.187 nan 4.420 nan 0.000 0.213 452 P C 1.917 179.178 177.300 -0.064 0.000 1.176 452 P CA 2.510 65.599 63.100 -0.018 0.000 0.919 452 P CB -0.260 31.433 31.700 -0.012 0.000 0.791 453 S N -1.574 114.079 115.700 -0.078 0.000 2.399 453 S HA -0.185 4.285 4.470 -0.000 0.000 0.231 453 S C 1.884 176.409 174.600 -0.125 0.000 1.022 453 S CA 0.862 59.012 58.200 -0.084 0.000 0.983 453 S CB -1.709 61.462 63.200 -0.049 0.000 0.803 453 S HN 0.041 nan 8.310 nan 0.000 0.480 454 F N 2.945 122.640 119.950 -0.425 0.000 2.134 454 F HA 0.061 4.588 4.527 0.000 0.000 0.299 454 F C 1.852 177.493 175.800 -0.264 0.000 1.097 454 F CA 0.798 58.493 58.000 -0.508 0.000 1.264 454 F CB -0.342 38.050 39.000 -1.013 0.000 1.001 454 F HN 0.086 nan 8.300 nan 0.000 0.479 455 I N 0.393 120.760 120.570 -0.338 0.000 2.676 455 I HA -0.188 3.982 4.170 -0.000 0.000 0.259 455 I C 1.798 177.759 176.117 -0.260 0.000 1.194 455 I CA 0.956 62.045 61.300 -0.351 0.000 1.473 455 I CB -1.487 36.416 38.000 -0.162 0.000 1.096 455 I HN 0.124 nan 8.210 nan 0.000 0.443 456 D N 1.249 121.535 120.400 -0.190 0.000 2.117 456 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 456 D C 1.886 178.092 176.300 -0.156 0.000 0.987 456 D CA 1.046 54.965 54.000 -0.135 0.000 0.829 456 D CB -0.171 40.573 40.800 -0.092 0.000 0.961 456 D HN 0.307 nan 8.370 nan 0.000 0.460 457 N N 0.474 119.052 118.700 -0.204 0.000 2.142 457 N HA -0.088 4.652 4.740 -0.000 0.000 0.186 457 N C 1.884 177.256 175.510 -0.231 0.000 1.023 457 N CA 0.418 53.356 53.050 -0.187 0.000 0.852 457 N CB -0.079 38.314 38.487 -0.157 0.000 0.998 457 N HN 0.188 nan 8.380 nan 0.000 0.424 458 I N 1.923 122.264 120.570 -0.382 0.000 2.226 458 I HA -0.192 3.977 4.170 -0.000 0.000 0.245 458 I C 1.544 177.549 176.117 -0.186 0.000 1.100 458 I CA 1.220 62.321 61.300 -0.333 0.000 1.374 458 I CB -1.069 36.642 38.000 -0.483 0.000 1.057 458 I HN 0.028 nan 8.210 nan 0.000 0.413 459 D N 1.040 121.337 120.400 -0.172 0.000 2.123 459 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 459 D C 1.906 178.158 176.300 -0.081 0.000 0.992 459 D CA 1.046 54.980 54.000 -0.110 0.000 0.833 459 D CB -0.267 40.470 40.800 -0.106 0.000 0.954 459 D HN 0.293 nan 8.370 nan 0.000 0.455 460 N N 0.243 118.891 118.700 -0.087 0.000 2.120 460 N HA -0.073 4.667 4.740 -0.000 0.000 0.188 460 N C 2.100 177.575 175.510 -0.059 0.000 1.024 460 N CA 0.430 53.439 53.050 -0.068 0.000 0.852 460 N CB -0.402 38.046 38.487 -0.065 0.000 1.003 460 N HN 0.251 nan 8.380 nan 0.000 0.424 461 L N 0.280 121.477 121.223 -0.044 0.000 2.093 461 L HA -0.078 4.261 4.340 -0.000 0.000 0.208 461 L C 2.302 179.219 176.870 0.078 0.000 1.085 461 L CA 0.739 55.590 54.840 0.019 0.000 0.755 461 L CB -0.289 41.801 42.059 0.052 0.000 0.904 461 L HN 0.128 nan 8.230 nan 0.000 0.435 462 M N -0.446 119.176 119.600 0.037 0.000 2.086 462 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 462 M C 2.602 178.924 176.300 0.036 0.000 1.067 462 M CA 2.035 57.376 55.300 0.067 0.000 1.116 462 M CB -1.279 31.336 32.600 0.025 0.000 1.348 462 M HN 0.304 nan 8.290 nan 0.000 0.407 463 A N 0.217 123.027 122.820 -0.016 0.000 1.898 463 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 463 A C 2.278 179.819 177.584 -0.072 0.000 1.181 463 A CA 2.022 54.036 52.037 -0.039 0.000 0.620 463 A CB -0.722 18.249 19.000 -0.049 0.000 0.819 463 A HN 0.543 nan 8.150 nan 0.000 0.442 464 K N -1.211 119.113 120.400 -0.127 0.000 2.152 464 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 464 K C 1.108 177.489 176.600 -0.365 0.000 1.048 464 K CA 1.617 57.749 56.287 -0.258 0.000 0.933 464 K CB -0.239 32.051 32.500 -0.349 0.000 0.721 464 K HN 0.622 nan 8.250 nan 0.000 0.447 465 H N -0.992 118.071 119.070 -0.011 0.000 2.529 465 H HA 0.154 4.709 4.556 -0.000 0.000 0.277 465 H C 0.741 176.040 175.328 -0.049 0.000 1.004 465 H CA 0.666 56.703 56.048 -0.017 0.000 1.167 465 H CB 0.842 30.612 29.762 0.013 0.000 1.445 465 H HN 0.521 nan 8.280 nan 0.000 0.554 466 G N 1.477 110.285 108.800 0.012 0.000 2.198 466 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 466 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 466 G C 0.777 175.652 174.900 -0.041 0.000 1.025 466 G CA 0.689 45.776 45.100 -0.023 0.000 0.769 466 G HN 0.447 nan 8.290 nan 0.000 0.507 467 V N -2.770 117.136 119.914 -0.013 0.000 2.988 467 V HA 0.476 4.596 4.120 -0.000 0.000 0.356 467 V C 1.679 177.781 176.094 0.013 0.000 1.380 467 V CA 0.953 63.231 62.300 -0.036 0.000 1.184 467 V CB 0.012 31.798 31.823 -0.061 0.000 1.204 467 V HN 0.496 nan 8.190 nan 0.000 0.530 468 S N 0.457 116.157 115.700 -0.000 0.000 2.442 468 S HA -0.145 4.325 4.470 -0.000 0.000 0.236 468 S C 1.180 175.784 174.600 0.006 0.000 1.007 468 S CA 1.536 59.736 58.200 -0.001 0.000 0.965 468 S CB -0.292 62.897 63.200 -0.018 0.000 0.773 468 S HN 0.681 nan 8.310 nan 0.000 0.504 469 D N 0.771 121.174 120.400 0.006 0.000 2.339 469 D HA 0.170 4.810 4.640 -0.000 0.000 0.217 469 D C 0.763 177.099 176.300 0.061 0.000 1.050 469 D CA 0.337 54.348 54.000 0.019 0.000 0.856 469 D CB 0.167 40.969 40.800 0.004 0.000 0.922 469 D HN 0.387 nan 8.370 nan 0.000 0.518 470 E N 0.701 120.946 120.200 0.074 0.000 2.561 470 E HA 0.236 4.586 4.350 -0.000 0.000 0.254 470 E C 0.494 177.222 176.600 0.212 0.000 1.213 470 E CA -0.311 56.171 56.400 0.137 0.000 0.995 470 E CB 1.246 31.029 29.700 0.137 0.000 1.233 470 E HN 0.329 nan 8.360 nan 0.000 0.556 471 H N -1.936 117.238 119.070 0.174 0.000 3.037 471 H HA 0.545 5.101 4.556 -0.000 0.000 0.355 471 H C -1.142 174.213 175.328 0.045 0.000 1.263 471 H CA -0.760 55.333 56.048 0.075 0.000 1.129 471 H CB 0.744 30.526 29.762 0.033 0.000 1.861 471 H HN 0.289 nan 8.280 nan 0.000 0.546 472 I N 2.158 122.738 120.570 0.016 0.000 2.534 472 I HA 0.127 4.297 4.170 -0.000 0.000 0.288 472 I C -0.114 176.014 176.117 0.018 0.000 1.077 472 I CA -1.238 59.975 61.300 -0.145 0.000 1.051 472 I CB 2.544 40.287 38.000 -0.430 0.000 1.234 472 I HN 0.298 nan 8.210 nan 0.000 0.425 473 V N 6.798 126.756 119.914 0.072 0.000 2.400 473 V HA 0.071 4.191 4.120 -0.000 0.000 0.263 473 V C 0.248 176.357 176.094 0.026 0.000 1.026 473 V CA 0.520 62.868 62.300 0.081 0.000 1.077 473 V CB 0.202 32.076 31.823 0.085 0.000 1.054 473 V HN 0.648 nan 8.190 nan 0.000 0.477 474 M N 6.893 126.509 119.600 0.027 0.000 2.181 474 M HA 0.572 5.052 4.480 -0.000 0.000 0.323 474 M C -0.433 175.912 176.300 0.075 0.000 1.004 474 M CA -0.299 55.025 55.300 0.040 0.000 0.941 474 M CB 1.085 33.701 32.600 0.027 0.000 1.579 474 M HN 0.557 nan 8.290 nan 0.000 0.427 475 R N 2.888 123.431 120.500 0.072 0.000 2.744 475 R HA 0.801 5.141 4.340 -0.000 0.000 0.279 475 R C -1.629 174.703 176.300 0.054 0.000 0.977 475 R CA -1.029 55.109 56.100 0.064 0.000 0.906 475 R CB 2.563 32.884 30.300 0.034 0.000 1.197 475 R HN 0.454 nan 8.270 nan 0.000 0.463 476 V N 1.146 121.091 119.914 0.052 0.000 2.483 476 V HA 0.380 4.500 4.120 -0.000 0.000 0.297 476 V C -0.357 175.760 176.094 0.037 0.000 1.027 476 V CA -0.628 61.684 62.300 0.019 0.000 0.855 476 V CB 1.887 33.726 31.823 0.027 0.000 0.995 476 V HN 0.760 nan 8.190 nan 0.000 0.424 477 T N 3.046 117.623 114.554 0.039 0.000 2.823 477 T HA 0.520 4.870 4.350 -0.000 0.000 0.279 477 T C 1.176 175.913 174.700 0.061 0.000 0.998 477 T CA 0.407 62.526 62.100 0.031 0.000 0.994 477 T CB 1.625 70.493 68.868 0.000 0.000 0.960 477 T HN 0.866 nan 8.240 nan 0.000 0.448 478 G N 1.889 110.698 108.800 0.014 0.000 2.534 478 G HA2 0.154 4.114 3.960 -0.000 0.000 0.217 478 G HA3 0.154 4.114 3.960 -0.000 0.000 0.217 478 G C 0.713 175.586 174.900 -0.044 0.000 1.128 478 G CA 0.797 45.883 45.100 -0.024 0.000 0.784 478 G HN 1.087 nan 8.290 nan 0.000 0.542 479 C N -3.942 115.341 119.300 -0.028 0.000 3.306 479 C HA 0.613 5.073 4.460 -0.000 0.000 0.335 479 C C -1.861 173.090 174.990 -0.065 0.000 1.382 479 C CA -1.050 57.953 59.018 -0.026 0.000 1.254 479 C CB 1.647 29.347 27.740 -0.066 0.000 1.555 479 C HN 0.013 nan 8.230 nan 0.000 0.463 480 P HA -0.113 nan 4.420 nan 0.000 0.226 480 P C 0.994 178.222 177.300 -0.120 0.000 1.146 480 P CA 1.476 64.438 63.100 -0.231 0.000 0.773 480 P CB -0.063 31.330 31.700 -0.511 0.000 0.772 481 N N 0.605 119.250 118.700 -0.093 0.000 2.192 481 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 481 N C 1.692 177.167 175.510 -0.058 0.000 1.013 481 N CA 1.995 55.008 53.050 -0.062 0.000 0.863 481 N CB -0.959 37.496 38.487 -0.054 0.000 0.990 481 N HN 0.302 nan 8.380 nan 0.000 0.430 482 G N -0.775 107.989 108.800 -0.060 0.000 2.137 482 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.237 482 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.237 482 G C 1.159 176.030 174.900 -0.048 0.000 1.002 482 G CA 0.380 45.445 45.100 -0.057 0.000 0.702 482 G HN 0.416 nan 8.290 nan 0.000 0.515 483 C N -0.038 119.237 119.300 -0.043 0.000 2.403 483 C HA 0.118 4.578 4.460 -0.000 0.000 0.279 483 C C 2.964 177.937 174.990 -0.027 0.000 1.269 483 C CA 1.616 60.612 59.018 -0.036 0.000 1.774 483 C CB -1.082 26.638 27.740 -0.034 0.000 1.993 483 C HN 0.946 nan 8.230 nan 0.000 0.496 484 G N -0.707 108.080 108.800 -0.021 0.000 2.920 484 G HA2 0.038 3.998 3.960 -0.000 0.000 0.208 484 G HA3 0.038 3.998 3.960 -0.000 0.000 0.208 484 G C 0.836 175.729 174.900 -0.013 0.000 1.159 484 G CA -0.150 44.946 45.100 -0.007 0.000 0.784 484 G HN 0.690 nan 8.290 nan 0.000 0.535 485 R N -1.375 119.107 120.500 -0.029 0.000 3.641 485 R HA -0.246 4.094 4.340 -0.000 0.000 0.286 485 R C 1.679 177.956 176.300 -0.038 0.000 1.153 485 R CA 0.357 56.435 56.100 -0.037 0.000 0.775 485 R CB -2.091 28.191 30.300 -0.031 0.000 1.215 485 R HN 0.431 nan 8.270 nan 0.000 0.474 486 A N 0.338 123.130 122.820 -0.045 0.000 2.067 486 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 486 A C 1.886 179.409 177.584 -0.101 0.000 1.158 486 A CA 0.945 52.951 52.037 -0.051 0.000 0.661 486 A CB -0.075 18.898 19.000 -0.045 0.000 0.801 486 A HN 0.222 nan 8.150 nan 0.000 0.452 487 M N -0.739 118.783 119.600 -0.130 0.000 2.659 487 M HA 0.216 4.696 4.480 -0.000 0.000 0.243 487 M C 0.792 177.032 176.300 -0.100 0.000 1.111 487 M CA 0.825 56.027 55.300 -0.164 0.000 1.070 487 M CB -0.727 31.768 32.600 -0.176 0.000 1.525 487 M HN 0.365 nan 8.290 nan 0.000 0.517 488 L N -1.124 120.061 121.223 -0.063 0.000 3.016 488 L HA 0.367 4.707 4.340 -0.000 0.000 0.267 488 L C 0.767 177.627 176.870 -0.018 0.000 1.182 488 L CA -0.401 54.416 54.840 -0.038 0.000 0.997 488 L CB 0.304 42.350 42.059 -0.021 0.000 1.354 488 L HN 0.047 nan 8.230 nan 0.000 0.569 489 A N -0.091 122.720 122.820 -0.015 0.000 2.257 489 A HA 0.304 4.624 4.320 -0.000 0.000 0.289 489 A C 0.962 178.558 177.584 0.019 0.000 1.095 489 A CA -0.250 51.792 52.037 0.008 0.000 0.836 489 A CB 0.655 19.664 19.000 0.015 0.000 1.111 489 A HN 0.293 nan 8.150 nan 0.000 0.497 490 E N -0.783 119.437 120.200 0.033 0.000 2.158 490 E HA 0.050 4.400 4.350 -0.000 0.000 0.191 490 E C -0.597 176.056 176.600 0.090 0.000 0.982 490 E CA 0.882 57.316 56.400 0.057 0.000 0.823 490 E CB 0.185 29.925 29.700 0.067 0.000 0.766 490 E HN 0.306 nan 8.360 nan 0.000 0.468 491 V N 0.902 120.849 119.914 0.055 0.000 2.462 491 V HA 0.429 4.549 4.120 -0.000 0.000 0.288 491 V C -0.106 176.033 176.094 0.075 0.000 1.020 491 V CA -0.798 61.545 62.300 0.072 0.000 0.857 491 V CB 1.544 33.362 31.823 -0.008 0.000 1.013 491 V HN 0.136 nan 8.190 nan 0.000 0.431 492 G N 4.086 112.948 108.800 0.102 0.000 2.416 492 G HA2 0.708 4.668 3.960 -0.000 0.000 0.329 492 G HA3 0.708 4.668 3.960 -0.000 0.000 0.329 492 G C -1.505 173.472 174.900 0.128 0.000 1.173 492 G CA -0.589 44.557 45.100 0.076 0.000 0.929 492 G HN 0.444 nan 8.290 nan 0.000 0.475 493 L N 1.922 123.185 121.223 0.068 0.000 2.319 493 L HA 0.441 4.781 4.340 -0.000 0.000 0.281 493 L C -0.216 176.734 176.870 0.133 0.000 1.005 493 L CA -0.582 54.290 54.840 0.053 0.000 0.828 493 L CB 2.065 43.981 42.059 -0.239 0.000 1.227 493 L HN 0.260 nan 8.230 nan 0.000 0.415 494 V N 3.117 123.188 119.914 0.262 0.000 2.334 494 V HA 0.525 4.645 4.120 -0.000 0.000 0.281 494 V C 0.874 177.156 176.094 0.313 0.000 1.016 494 V CA -0.943 61.510 62.300 0.256 0.000 0.832 494 V CB 1.197 33.185 31.823 0.274 0.000 0.999 494 V HN 0.836 nan 8.190 nan 0.000 0.439 495 G N 3.113 112.065 108.800 0.253 0.000 2.265 495 G HA2 0.158 4.118 3.960 -0.000 0.000 0.240 495 G HA3 0.158 4.118 3.960 -0.000 0.000 0.240 495 G C 0.465 175.417 174.900 0.087 0.000 1.270 495 G CA 0.071 45.185 45.100 0.023 0.000 0.901 495 G HN 0.808 nan 8.290 nan 0.000 0.507 496 K N 0.798 121.124 120.400 -0.123 0.000 2.424 496 K HA 0.541 4.861 4.320 -0.000 0.000 0.198 496 K C 0.695 177.223 176.600 -0.120 0.000 1.190 496 K CA 0.709 56.910 56.287 -0.143 0.000 0.935 496 K CB 0.503 32.822 32.500 -0.302 0.000 1.087 496 K HN 0.766 nan 8.250 nan 0.000 0.524 497 A N 0.626 123.339 122.820 -0.178 0.000 2.544 497 A HA 0.415 4.735 4.320 -0.000 0.000 0.291 497 A C -2.924 174.558 177.584 -0.170 0.000 1.055 497 A CA -1.062 50.905 52.037 -0.118 0.000 0.651 497 A CB 0.501 19.443 19.000 -0.098 0.000 1.296 497 A HN -0.130 nan 8.150 nan 0.000 0.431 498 P HA 0.244 nan 4.420 nan 0.000 0.258 498 P C 1.094 178.297 177.300 -0.161 0.000 1.172 498 P CA 2.716 65.757 63.100 -0.097 0.000 0.762 498 P CB 0.299 31.957 31.700 -0.070 0.000 0.764 499 G N 2.671 111.341 108.800 -0.217 0.000 2.196 499 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.268 499 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.268 499 G C 0.235 174.960 174.900 -0.292 0.000 0.975 499 G CA -0.114 44.871 45.100 -0.191 0.000 0.648 499 G HN 0.560 nan 8.290 nan 0.000 0.538 500 R N -1.050 119.138 120.500 -0.519 0.000 2.740 500 R HA 0.710 5.050 4.340 -0.000 0.000 0.282 500 R C -1.088 174.781 176.300 -0.718 0.000 0.969 500 R CA -0.654 55.194 56.100 -0.419 0.000 0.918 500 R CB 1.387 31.544 30.300 -0.237 0.000 1.175 500 R HN 0.224 nan 8.270 nan 0.000 0.464 501 Y N -0.202 120.039 120.300 -0.098 0.000 2.597 501 Y HA 0.299 4.850 4.550 0.000 0.000 0.340 501 Y C -0.219 175.666 175.900 -0.026 0.000 1.097 501 Y CA -1.246 56.812 58.100 -0.071 0.000 1.037 501 Y CB 1.628 40.020 38.460 -0.114 0.000 1.305 501 Y HN 0.398 nan 8.280 nan 0.000 0.463 502 N N 1.556 120.374 118.700 0.197 0.000 2.455 502 N HA 0.353 5.093 4.740 -0.000 0.000 0.280 502 N C -1.496 174.127 175.510 0.189 0.000 1.055 502 N CA -0.482 52.646 53.050 0.130 0.000 0.961 502 N CB 1.470 40.072 38.487 0.192 0.000 1.121 502 N HN 0.536 nan 8.380 nan 0.000 0.476 503 L N 4.121 125.395 121.223 0.085 0.000 2.265 503 L HA 0.332 4.672 4.340 -0.000 0.000 0.289 503 L C -0.586 176.332 176.870 0.081 0.000 1.033 503 L CA -0.303 54.629 54.840 0.153 0.000 0.814 503 L CB 0.162 42.340 42.059 0.199 0.000 1.203 503 L HN 0.514 nan 8.230 nan 0.000 0.423 504 H N 6.186 125.324 119.070 0.114 0.000 2.492 504 H HA 0.605 5.161 4.556 -0.000 0.000 0.345 504 H C -0.971 174.393 175.328 0.060 0.000 1.136 504 H CA -0.737 55.357 56.048 0.077 0.000 1.202 504 H CB 2.062 31.838 29.762 0.023 0.000 1.524 504 H HN 0.519 nan 8.280 nan 0.000 0.506 505 L N -0.098 121.199 121.223 0.124 0.000 2.376 505 L HA 0.454 4.794 4.340 -0.000 0.000 0.258 505 L C 0.733 177.592 176.870 -0.018 0.000 1.013 505 L CA -0.603 54.257 54.840 0.033 0.000 0.822 505 L CB 2.388 44.370 42.059 -0.128 0.000 1.388 505 L HN 0.976 nan 8.230 nan 0.000 0.413 506 G N 0.598 109.372 108.800 -0.042 0.000 2.154 506 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.186 506 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.186 506 G C 0.248 175.117 174.900 -0.051 0.000 1.000 506 G CA -0.241 44.811 45.100 -0.080 0.000 0.664 506 G HN 1.027 nan 8.290 nan 0.000 0.513 507 G N 0.068 108.857 108.800 -0.019 0.000 2.510 507 G HA2 0.642 4.602 3.960 -0.000 0.000 0.280 507 G HA3 0.642 4.602 3.960 -0.000 0.000 0.280 507 G C 0.031 174.925 174.900 -0.010 0.000 1.386 507 G CA 0.259 45.347 45.100 -0.019 0.000 1.047 507 G HN 1.180 nan 8.290 nan 0.000 0.527 508 N N -2.871 115.832 118.700 0.004 0.000 2.571 508 N HA 0.289 5.029 4.740 -0.000 0.000 0.273 508 N C 0.709 176.247 175.510 0.048 0.000 1.340 508 N CA -1.028 52.035 53.050 0.022 0.000 0.789 508 N CB 1.406 39.906 38.487 0.022 0.000 1.514 508 N HN 0.371 nan 8.380 nan 0.000 0.499 509 R N -0.329 120.213 120.500 0.070 0.000 2.105 509 R HA -0.016 4.324 4.340 -0.000 0.000 0.239 509 R C 1.475 177.841 176.300 0.109 0.000 1.135 509 R CA 2.018 58.184 56.100 0.109 0.000 0.967 509 R CB -0.822 29.562 30.300 0.139 0.000 0.861 509 R HN 0.777 nan 8.270 nan 0.000 0.442 510 I N -2.923 117.712 120.570 0.107 0.000 3.251 510 I HA 0.262 4.432 4.170 -0.000 0.000 0.277 510 I C 0.842 177.000 176.117 0.069 0.000 1.268 510 I CA 0.687 62.056 61.300 0.114 0.000 1.449 510 I CB 0.050 38.166 38.000 0.193 0.000 1.083 510 I HN 0.177 nan 8.210 nan 0.000 0.464 511 G N 2.367 111.203 108.800 0.059 0.000 2.248 511 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.252 511 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.252 511 G C 0.471 175.414 174.900 0.072 0.000 1.085 511 G CA 0.426 45.554 45.100 0.046 0.000 0.845 511 G HN 0.666 nan 8.290 nan 0.000 0.494 512 T N -3.469 111.086 114.554 0.002 0.000 3.084 512 T HA 0.536 4.886 4.350 -0.000 0.000 0.270 512 T C 0.564 175.133 174.700 -0.218 0.000 1.008 512 T CA 0.287 62.281 62.100 -0.176 0.000 0.900 512 T CB 0.710 69.554 68.868 -0.041 0.000 1.084 512 T HN 0.619 nan 8.240 nan 0.000 0.538 513 R N 0.905 121.331 120.500 -0.124 0.000 2.621 513 R HA 0.586 4.926 4.340 -0.000 0.000 0.284 513 R C -1.178 175.069 176.300 -0.090 0.000 0.998 513 R CA -0.939 55.096 56.100 -0.109 0.000 0.895 513 R CB 1.173 31.429 30.300 -0.074 0.000 1.195 513 R HN 0.160 nan 8.270 nan 0.000 0.450 514 I N 5.353 125.866 120.570 -0.095 0.000 2.395 514 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 514 I C -1.992 174.087 176.117 -0.063 0.000 1.023 514 I CA -2.502 58.746 61.300 -0.085 0.000 1.350 514 I CB 1.044 38.986 38.000 -0.097 0.000 1.409 514 I HN 0.447 nan 8.210 nan 0.000 0.507 515 P HA 0.242 nan 4.420 nan 0.000 0.281 515 P C -0.359 176.992 177.300 0.086 0.000 1.252 515 P CA -0.546 62.562 63.100 0.014 0.000 0.778 515 P CB 1.196 32.924 31.700 0.047 0.000 0.895 516 R N 3.606 124.138 120.500 0.053 0.000 2.582 516 R HA 0.322 4.662 4.340 -0.000 0.000 0.271 516 R C 0.448 176.776 176.300 0.047 0.000 1.078 516 R CA -0.633 55.490 56.100 0.039 0.000 1.127 516 R CB 0.370 30.663 30.300 -0.010 0.000 1.038 516 R HN 0.485 nan 8.270 nan 0.000 0.500 517 M N 4.091 123.625 119.600 -0.110 0.000 2.217 517 M HA -0.026 4.454 4.480 -0.000 0.000 0.352 517 M C -0.416 175.828 176.300 -0.092 0.000 1.376 517 M CA 0.228 55.286 55.300 -0.402 0.000 1.107 517 M CB 0.630 32.971 32.600 -0.432 0.000 1.723 517 M HN 0.801 nan 8.290 nan 0.000 0.461 518 Y N 5.779 125.960 120.300 -0.198 0.000 2.314 518 Y HA 0.374 4.924 4.550 0.000 0.000 0.294 518 Y C -0.274 175.586 175.900 -0.067 0.000 1.139 518 Y CA 0.947 58.994 58.100 -0.088 0.000 1.162 518 Y CB 0.660 39.097 38.460 -0.039 0.000 1.121 518 Y HN 0.520 nan 8.280 nan 0.000 0.529 519 K N 0.832 121.139 120.400 -0.154 0.000 2.477 519 K HA 0.278 4.598 4.320 -0.000 0.000 0.255 519 K C -1.448 175.089 176.600 -0.104 0.000 0.952 519 K CA -0.850 55.310 56.287 -0.211 0.000 0.826 519 K CB 2.843 35.208 32.500 -0.225 0.000 1.331 519 K HN 0.076 nan 8.250 nan 0.000 0.437 520 E N 1.637 121.786 120.200 -0.086 0.000 2.238 520 E HA 0.160 4.510 4.350 -0.000 0.000 0.267 520 E C -0.836 175.735 176.600 -0.048 0.000 0.887 520 E CA -0.508 55.858 56.400 -0.058 0.000 0.769 520 E CB 0.992 30.663 29.700 -0.048 0.000 1.187 520 E HN 0.574 nan 8.360 nan 0.000 0.416 521 N N 2.374 121.043 118.700 -0.052 0.000 2.714 521 N HA -0.190 4.550 4.740 -0.000 0.000 0.253 521 N C -0.982 174.505 175.510 -0.038 0.000 1.024 521 N CA 1.373 54.382 53.050 -0.069 0.000 0.726 521 N CB -1.398 37.038 38.487 -0.086 0.000 0.908 521 N HN 0.546 nan 8.380 nan 0.000 0.542 522 I N -3.626 116.946 120.570 0.003 0.000 3.100 522 I HA 0.727 4.897 4.170 -0.000 0.000 0.312 522 I C 0.883 177.040 176.117 0.067 0.000 1.063 522 I CA -0.721 60.596 61.300 0.028 0.000 1.031 522 I CB 1.950 39.974 38.000 0.039 0.000 1.243 522 I HN 0.145 nan 8.210 nan 0.000 0.483 523 T N -1.931 112.670 114.554 0.077 0.000 2.936 523 T HA 0.280 4.630 4.350 -0.000 0.000 0.282 523 T C 0.797 175.600 174.700 0.171 0.000 1.003 523 T CA -0.296 61.871 62.100 0.112 0.000 1.005 523 T CB 1.891 70.806 68.868 0.079 0.000 1.097 523 T HN 0.890 nan 8.240 nan 0.000 0.532 524 E N 0.634 120.966 120.200 0.221 0.000 2.070 524 E HA -0.128 4.222 4.350 -0.000 0.000 0.197 524 E C -0.816 175.920 176.600 0.227 0.000 1.004 524 E CA 1.435 58.002 56.400 0.278 0.000 0.805 524 E CB -1.196 28.739 29.700 0.393 0.000 0.744 524 E HN 0.510 nan 8.360 nan 0.000 0.451 525 P HA -0.163 nan 4.420 nan 0.000 0.218 525 P C 0.506 177.883 177.300 0.127 0.000 1.148 525 P CA 1.612 64.793 63.100 0.136 0.000 0.822 525 P CB -0.017 31.744 31.700 0.103 0.000 0.784 526 E N -1.022 119.252 120.200 0.122 0.000 2.076 526 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 526 E C 2.008 178.689 176.600 0.135 0.000 0.979 526 E CA 0.731 57.195 56.400 0.106 0.000 0.807 526 E CB -0.472 29.276 29.700 0.080 0.000 0.761 526 E HN 0.249 nan 8.360 nan 0.000 0.454 527 I N 0.823 121.494 120.570 0.168 0.000 2.142 527 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 527 I C 2.161 178.412 176.117 0.223 0.000 1.078 527 I CA 0.672 62.094 61.300 0.204 0.000 1.343 527 I CB -0.149 37.982 38.000 0.219 0.000 1.046 527 I HN 0.120 nan 8.210 nan 0.000 0.405 528 L N 0.818 122.181 121.223 0.233 0.000 2.042 528 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 528 L C 2.686 179.641 176.870 0.143 0.000 1.076 528 L CA 2.199 57.149 54.840 0.183 0.000 0.749 528 L CB -1.521 40.635 42.059 0.163 0.000 0.893 528 L HN 0.248 nan 8.230 nan 0.000 0.432 529 A N -1.763 121.139 122.820 0.136 0.000 1.933 529 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 529 A C 2.469 180.136 177.584 0.139 0.000 1.175 529 A CA 1.899 54.009 52.037 0.121 0.000 0.628 529 A CB -0.541 18.520 19.000 0.102 0.000 0.814 529 A HN 0.471 nan 8.150 nan 0.000 0.444 530 S N -0.081 115.718 115.700 0.164 0.000 2.371 530 S HA -0.004 4.466 4.470 -0.000 0.000 0.224 530 S C 1.793 176.518 174.600 0.208 0.000 1.029 530 S CA 1.229 59.555 58.200 0.211 0.000 0.978 530 S CB -0.405 62.964 63.200 0.282 0.000 0.833 530 S HN 0.506 nan 8.310 nan 0.000 0.466 531 L N 1.514 122.845 121.223 0.180 0.000 2.093 531 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 531 L C 2.449 179.393 176.870 0.124 0.000 1.085 531 L CA 1.178 56.099 54.840 0.134 0.000 0.755 531 L CB -0.623 41.477 42.059 0.068 0.000 0.904 531 L HN 0.241 nan 8.230 nan 0.000 0.435 532 D N 0.426 120.908 120.400 0.137 0.000 2.116 532 D HA -0.281 4.359 4.640 -0.000 0.000 0.193 532 D C 2.078 178.474 176.300 0.160 0.000 0.998 532 D CA 1.555 55.663 54.000 0.181 0.000 0.836 532 D CB 0.092 40.995 40.800 0.171 0.000 0.951 532 D HN 0.317 nan 8.370 nan 0.000 0.449 533 E N -0.450 119.834 120.200 0.140 0.000 2.072 533 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 533 E C 2.476 179.140 176.600 0.106 0.000 0.982 533 E CA 0.476 56.945 56.400 0.116 0.000 0.803 533 E CB -0.061 29.717 29.700 0.130 0.000 0.755 533 E HN 0.345 nan 8.360 nan 0.000 0.453 534 L N 0.574 121.896 121.223 0.164 0.000 2.044 534 L HA -0.134 4.206 4.340 -0.000 0.000 0.205 534 L C 2.646 179.709 176.870 0.322 0.000 1.075 534 L CA 0.789 55.772 54.840 0.238 0.000 0.747 534 L CB -0.361 41.881 42.059 0.305 0.000 0.903 534 L HN 0.178 nan 8.230 nan 0.000 0.435 535 I N 0.134 120.871 120.570 0.278 0.000 2.264 535 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 535 I C 2.605 178.663 176.117 -0.099 0.000 1.111 535 I CA 1.421 62.873 61.300 0.255 0.000 1.382 535 I CB -0.800 37.269 38.000 0.114 0.000 1.060 535 I HN 0.298 nan 8.210 nan 0.000 0.418 536 G N 0.597 109.059 108.800 -0.564 0.000 2.418 536 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 536 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 536 G C 1.826 176.600 174.900 -0.211 0.000 1.158 536 G CA 0.395 45.002 45.100 -0.823 0.000 0.771 536 G HN 0.290 nan 8.290 nan 0.000 0.545 537 R N -1.205 119.272 120.500 -0.037 0.000 2.075 537 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 537 R C 2.265 178.497 176.300 -0.113 0.000 1.126 537 R CA 1.270 57.396 56.100 0.043 0.000 0.963 537 R CB -0.440 29.987 30.300 0.212 0.000 0.858 537 R HN 0.523 nan 8.270 nan 0.000 0.435 538 W N 1.662 122.741 121.300 -0.369 0.000 2.333 538 W HA -0.192 4.468 4.660 -0.000 0.000 0.316 538 W C 2.218 178.433 176.519 -0.507 0.000 1.215 538 W CA 1.702 58.564 57.345 -0.804 0.000 1.278 538 W CB -0.652 28.639 29.460 -0.283 0.000 1.154 538 W HN 0.098 nan 8.180 nan 0.000 0.486 539 A N 0.231 122.834 122.820 -0.362 0.000 1.948 539 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 539 A C 2.018 179.394 177.584 -0.345 0.000 1.177 539 A CA 2.339 54.112 52.037 -0.440 0.000 0.636 539 A CB -0.684 18.202 19.000 -0.190 0.000 0.815 539 A HN 0.430 nan 8.150 nan 0.000 0.449 540 K N -1.234 119.020 120.400 -0.243 0.000 2.284 540 K HA 0.042 4.362 4.320 -0.000 0.000 0.198 540 K C 1.162 177.662 176.600 -0.166 0.000 1.048 540 K CA 1.029 57.218 56.287 -0.162 0.000 0.987 540 K CB 0.186 32.640 32.500 -0.077 0.000 0.800 540 K HN 0.599 nan 8.250 nan 0.000 0.486 541 E N 0.596 120.658 120.200 -0.230 0.000 2.526 541 E HA 0.017 4.367 4.350 -0.000 0.000 0.208 541 E C -0.275 176.211 176.600 -0.189 0.000 0.997 541 E CA -0.263 56.054 56.400 -0.138 0.000 0.961 541 E CB 0.599 30.324 29.700 0.042 0.000 1.030 541 E HN 0.193 nan 8.360 nan 0.000 0.483 542 R N 1.290 121.542 120.500 -0.413 0.000 2.615 542 R HA 0.294 4.634 4.340 -0.000 0.000 0.270 542 R C -0.092 176.129 176.300 -0.132 0.000 1.081 542 R CA -0.361 55.555 56.100 -0.306 0.000 1.154 542 R CB 0.874 30.861 30.300 -0.522 0.000 1.063 542 R HN -0.140 nan 8.270 nan 0.000 0.519 543 E N 0.551 120.742 120.200 -0.016 0.000 2.322 543 E HA 0.291 4.641 4.350 -0.000 0.000 0.257 543 E C -0.315 176.264 176.600 -0.034 0.000 1.155 543 E CA -0.820 55.575 56.400 -0.009 0.000 0.936 543 E CB 0.891 30.613 29.700 0.036 0.000 1.130 543 E HN 0.717 nan 8.360 nan 0.000 0.465 544 A N 0.652 123.455 122.820 -0.028 0.000 2.545 544 A HA 0.321 4.641 4.320 -0.000 0.000 0.253 544 A C 1.154 178.733 177.584 -0.008 0.000 1.074 544 A CA 0.771 52.789 52.037 -0.032 0.000 0.760 544 A CB -0.983 18.004 19.000 -0.022 0.000 1.005 544 A HN 0.805 nan 8.150 nan 0.000 0.506 545 G N 1.574 110.365 108.800 -0.015 0.000 2.180 545 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.263 545 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.263 545 G C 0.187 175.134 174.900 0.078 0.000 0.989 545 G CA 0.712 45.827 45.100 0.024 0.000 0.692 545 G HN 1.132 nan 8.290 nan 0.000 0.526 546 E N 0.674 120.932 120.200 0.096 0.000 2.290 546 E HA 0.476 4.826 4.350 -0.000 0.000 0.277 546 E C 1.265 178.104 176.600 0.398 0.000 1.035 546 E CA 0.056 56.575 56.400 0.198 0.000 0.873 546 E CB 0.113 29.934 29.700 0.202 0.000 1.029 546 E HN 0.392 nan 8.360 nan 0.000 0.419 547 G N 3.318 112.296 108.800 0.296 0.000 2.569 547 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.249 547 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.249 547 G C 0.252 175.228 174.900 0.126 0.000 1.216 547 G CA -0.520 44.732 45.100 0.254 0.000 0.845 547 G HN 0.760 nan 8.290 nan 0.000 0.568 548 F N 1.591 121.183 119.950 -0.597 0.000 2.102 548 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 548 F C 2.427 177.984 175.800 -0.404 0.000 1.105 548 F CA 2.470 59.780 58.000 -1.149 0.000 1.239 548 F CB -0.309 37.820 39.000 -1.451 0.000 0.991 548 F HN 0.464 nan 8.300 nan 0.000 0.474 549 G N -0.005 108.718 108.800 -0.128 0.000 2.480 549 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.216 549 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.216 549 G C 1.414 176.213 174.900 -0.169 0.000 1.200 549 G CA 1.110 46.137 45.100 -0.122 0.000 0.782 549 G HN 0.338 nan 8.290 nan 0.000 0.554 550 D N 0.013 120.369 120.400 -0.074 0.000 2.133 550 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 550 D C 2.022 178.279 176.300 -0.071 0.000 0.997 550 D CA 0.838 54.812 54.000 -0.044 0.000 0.840 550 D CB -0.364 40.454 40.800 0.031 0.000 0.947 550 D HN 0.291 nan 8.370 nan 0.000 0.452 551 F N 1.841 121.691 119.950 -0.166 0.000 2.134 551 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 551 F C 2.513 178.155 175.800 -0.263 0.000 1.097 551 F CA 2.211 60.120 58.000 -0.152 0.000 1.264 551 F CB -0.751 38.229 39.000 -0.034 0.000 1.001 551 F HN -0.017 nan 8.300 nan 0.000 0.479 552 T N -2.151 112.006 114.554 -0.660 0.000 2.833 552 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 552 T C 1.951 176.350 174.700 -0.502 0.000 1.054 552 T CA 1.587 63.270 62.100 -0.697 0.000 1.135 552 T CB -1.243 67.259 68.868 -0.611 0.000 0.869 552 T HN 0.158 nan 8.240 nan 0.000 0.466 553 V N 1.362 121.057 119.914 -0.364 0.000 2.407 553 V HA 0.050 4.170 4.120 -0.000 0.000 0.245 553 V C 2.922 178.870 176.094 -0.244 0.000 1.041 553 V CA 1.657 63.810 62.300 -0.246 0.000 1.040 553 V CB -0.713 31.012 31.823 -0.163 0.000 0.671 553 V HN 0.458 nan 8.190 nan 0.000 0.455 554 R N 0.761 121.098 120.500 -0.272 0.000 2.092 554 R HA -0.067 4.273 4.340 -0.000 0.000 0.231 554 R C 2.062 178.193 176.300 -0.282 0.000 1.119 554 R CA 1.519 57.491 56.100 -0.212 0.000 0.970 554 R CB -0.335 29.892 30.300 -0.121 0.000 0.864 554 R HN 0.457 nan 8.270 nan 0.000 0.440 555 A N -0.225 122.270 122.820 -0.541 0.000 2.206 555 A HA 0.172 4.492 4.320 -0.000 0.000 0.211 555 A C 1.355 178.751 177.584 -0.314 0.000 1.158 555 A CA 0.823 52.553 52.037 -0.511 0.000 0.761 555 A CB -0.264 18.127 19.000 -1.015 0.000 0.801 555 A HN 0.614 nan 8.150 nan 0.000 0.473 556 G N -0.840 107.792 108.800 -0.280 0.000 2.136 556 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.242 556 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.242 556 G C 0.666 175.470 174.900 -0.159 0.000 0.989 556 G CA 0.436 45.431 45.100 -0.176 0.000 0.682 556 G HN 0.472 nan 8.290 nan 0.000 0.522 557 I N -1.071 119.355 120.570 -0.240 0.000 2.761 557 I HA 0.283 4.453 4.170 -0.000 0.000 0.261 557 I C 0.949 176.975 176.117 -0.151 0.000 1.198 557 I CA 0.765 61.945 61.300 -0.199 0.000 1.482 557 I CB 0.140 37.948 38.000 -0.320 0.000 1.100 557 I HN 0.306 nan 8.210 nan 0.000 0.445 558 I N -0.581 119.890 120.570 -0.165 0.000 2.787 558 I HA 0.277 4.447 4.170 -0.000 0.000 0.294 558 I C -0.679 175.382 176.117 -0.094 0.000 1.365 558 I CA -0.546 60.695 61.300 -0.098 0.000 1.029 558 I CB 1.509 39.424 38.000 -0.142 0.000 1.313 558 I HN -0.173 nan 8.210 nan 0.000 0.431 559 R N 6.836 127.305 120.500 -0.052 0.000 2.490 559 R HA 0.467 4.806 4.340 -0.000 0.000 0.280 559 R C -2.401 173.864 176.300 -0.058 0.000 1.077 559 R CA -1.400 54.668 56.100 -0.052 0.000 1.065 559 R CB 0.493 30.775 30.300 -0.029 0.000 1.003 559 R HN 0.397 nan 8.270 nan 0.000 0.470 560 P HA 0.094 nan 4.420 nan 0.000 0.277 560 P C -0.472 176.795 177.300 -0.055 0.000 1.240 560 P CA -0.341 62.721 63.100 -0.063 0.000 0.798 560 P CB 0.851 32.513 31.700 -0.064 0.000 0.979 561 V N 4.248 124.125 119.914 -0.060 0.000 2.320 561 V HA 0.086 4.206 4.120 -0.000 0.000 0.265 561 V C 1.606 177.659 176.094 -0.069 0.000 1.048 561 V CA 0.052 62.312 62.300 -0.065 0.000 0.865 561 V CB 0.105 31.882 31.823 -0.078 0.000 1.043 561 V HN 0.468 nan 8.190 nan 0.000 0.474 562 L N 2.221 123.407 121.223 -0.060 0.000 2.477 562 L HA 0.331 4.671 4.340 -0.000 0.000 0.220 562 L C 0.576 177.407 176.870 -0.064 0.000 1.106 562 L CA 0.608 55.413 54.840 -0.058 0.000 0.851 562 L CB 0.242 42.274 42.059 -0.045 0.000 0.994 562 L HN 0.617 nan 8.230 nan 0.000 0.462 563 D N -0.876 119.479 120.400 -0.075 0.000 2.934 563 D HA 0.114 4.754 4.640 -0.000 0.000 0.249 563 D C -1.841 174.381 176.300 -0.130 0.000 1.293 563 D CA -1.448 52.498 54.000 -0.090 0.000 0.812 563 D CB 0.889 41.648 40.800 -0.067 0.000 1.439 563 D HN -0.261 nan 8.370 nan 0.000 0.555 564 P HA -0.333 nan 4.420 nan 0.000 0.227 564 P C 1.282 178.363 177.300 -0.365 0.000 1.141 564 P CA 2.388 65.369 63.100 -0.198 0.000 0.964 564 P CB 0.062 31.664 31.700 -0.164 0.000 0.784 565 A N -1.180 121.265 122.820 -0.624 0.000 2.076 565 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 565 A C 2.265 179.639 177.584 -0.350 0.000 1.160 565 A CA 1.791 53.227 52.037 -1.002 0.000 0.653 565 A CB -0.826 17.703 19.000 -0.786 0.000 0.801 565 A HN 0.209 nan 8.150 nan 0.000 0.455 566 R N -1.489 118.907 120.500 -0.174 0.000 2.342 566 R HA 0.060 4.400 4.340 -0.000 0.000 0.204 566 R C 0.178 176.484 176.300 0.010 0.000 0.882 566 R CA 0.794 56.869 56.100 -0.042 0.000 1.041 566 R CB 0.478 30.757 30.300 -0.035 0.000 1.188 566 R HN 0.582 nan 8.270 nan 0.000 0.598 567 D N -0.174 120.216 120.400 -0.016 0.000 2.599 567 D HA -0.031 4.609 4.640 -0.000 0.000 0.249 567 D C 1.118 177.414 176.300 -0.006 0.000 1.313 567 D CA -0.216 53.789 54.000 0.009 0.000 0.815 567 D CB 0.194 40.988 40.800 -0.010 0.000 1.077 567 D HN 0.041 nan 8.370 nan 0.000 0.492 568 L N -0.387 120.820 121.223 -0.027 0.000 2.109 568 L HA 0.245 4.585 4.340 -0.000 0.000 0.207 568 L C -0.084 176.648 176.870 -0.230 0.000 1.086 568 L CA 1.177 55.918 54.840 -0.165 0.000 0.760 568 L CB -0.171 41.734 42.059 -0.256 0.000 0.910 568 L HN -0.004 nan 8.230 nan 0.000 0.437 569 W N 0.908 122.247 121.300 0.066 0.000 2.417 569 W HA 0.361 5.021 4.660 -0.000 0.000 0.317 569 W C 0.469 177.014 176.519 0.044 0.000 1.121 569 W CA -0.895 56.491 57.345 0.069 0.000 1.208 569 W CB 0.460 29.970 29.460 0.082 0.000 1.253 569 W HN -0.099 nan 8.180 nan 0.000 0.533 570 D N 0.000 120.561 120.400 0.268 0.000 6.856 570 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 570 D CA 0.000 54.096 54.000 0.159 0.000 0.868 570 D CB 0.000 40.864 40.800 0.108 0.000 0.688 570 D HN 0.000 nan 8.370 nan 0.000 0.683