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 3oe7_1_F DATA FIRST_RESID 7 DATA SEQUENCE TPITGKVTAV IGAIVDVHFE QSELPAILNA LEIKTPQGKL VLEVAQHLGE DATA SEQUENCE NTVRTIAMDG TEGLVRGEKV LDTGGPISVP VGRETLGRII NVIGEPIDER DATA SEQUENCE GPIKSKLRKP IHADPPSFAE QSTSAEILET GIKVVDLLAP YARGGKIGLF DATA SEQUENCE GGAGVGKTVF IQELINNIAK AHGGFSVFTG VGERTREGND LYREMKETGV DATA SEQUENCE INLEGESKVA LVFGQMNEPP GARARVALTG LTIAEYFRDE EGQDVLLFID DATA SEQUENCE NIFRFTQAGS EVSALLGRIP SAVGYQPTLA TDMGLLQERI TTTKKGSVTS DATA SEQUENCE VQAVYVPADD LTDPAPATTF AHLDATTVLS RGISELGIYP AVDPLDSKSR DATA SEQUENCE LLDAAVVGQE HYDVASKVQE TLQTYKSLQD IIAILGMDEL SEQDKLTVER DATA SEQUENCE ARKIQRFLSQ PFAVAEVFTG IPGKLVRLKD TVASFKAVLE GKYDNIPEHA DATA SEQUENCE FYMVGGIEDV VAKAEKLAA 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.704 174.700 0.007 0.000 1.109 7 T CA 0.000 62.104 62.100 0.006 0.000 1.349 7 T CB 0.000 68.871 68.868 0.005 0.000 0.612 8 P HA 0.846 nan 4.420 nan 0.000 0.341 8 P C -0.903 176.411 177.300 0.023 0.000 1.297 8 P CA -0.965 62.145 63.100 0.016 0.000 0.761 8 P CB 0.698 32.413 31.700 0.024 0.000 1.574 9 I N -0.287 120.305 120.570 0.037 0.000 2.500 9 I HA 0.364 4.536 4.170 0.004 0.000 0.286 9 I C -0.016 176.202 176.117 0.168 0.000 1.063 9 I CA -0.509 60.829 61.300 0.062 0.000 1.062 9 I CB 1.817 39.810 38.000 -0.012 0.000 1.223 9 I HN 0.397 nan 8.210 nan 0.000 0.435 10 T N 1.707 116.375 114.554 0.189 0.000 2.940 10 T HA 0.948 5.300 4.350 0.004 0.000 0.288 10 T C -0.084 174.700 174.700 0.140 0.000 1.033 10 T CA -0.744 61.474 62.100 0.195 0.000 1.033 10 T CB 2.207 71.114 68.868 0.065 0.000 1.079 10 T HN 0.785 nan 8.240 nan 0.000 0.496 11 G N 0.628 109.280 108.800 -0.247 0.000 2.727 11 G HA2 0.659 4.621 3.960 0.004 0.000 0.289 11 G HA3 0.659 4.621 3.960 0.004 0.000 0.289 11 G C -1.659 172.967 174.900 -0.457 0.000 1.418 11 G CA -1.141 43.535 45.100 -0.706 0.000 0.818 11 G HN 0.811 nan 8.290 nan 0.000 0.486 12 K N -0.312 119.873 120.400 -0.359 0.000 2.208 12 K HA 0.567 4.890 4.320 0.004 0.000 0.247 12 K C -0.713 175.789 176.600 -0.162 0.000 0.953 12 K CA -0.814 55.364 56.287 -0.182 0.000 0.837 12 K CB 2.895 35.348 32.500 -0.079 0.000 1.131 12 K HN 0.197 nan 8.250 nan 0.000 0.431 13 V N 2.721 122.571 119.914 -0.106 0.000 2.479 13 V HA -0.034 4.088 4.120 0.004 0.000 0.281 13 V C 1.196 177.261 176.094 -0.048 0.000 1.031 13 V CA 0.577 62.835 62.300 -0.070 0.000 1.038 13 V CB 0.558 32.352 31.823 -0.047 0.000 0.981 13 V HN 1.038 nan 8.190 nan 0.000 0.478 14 T N 1.337 115.870 114.554 -0.035 0.000 2.990 14 T HA 0.570 4.922 4.350 0.004 0.000 0.250 14 T C 0.392 175.078 174.700 -0.023 0.000 1.041 14 T CA 0.470 62.552 62.100 -0.030 0.000 1.010 14 T CB 0.591 69.443 68.868 -0.027 0.000 1.003 14 T HN 0.920 nan 8.240 nan 0.000 0.499 15 A N 0.765 123.576 122.820 -0.015 0.000 2.540 15 A HA 0.674 4.997 4.320 0.004 0.000 0.297 15 A C -1.492 176.089 177.584 -0.005 0.000 1.056 15 A CA -0.739 51.293 52.037 -0.009 0.000 0.700 15 A CB 1.709 20.707 19.000 -0.004 0.000 1.280 15 A HN 0.268 nan 8.150 nan 0.000 0.398 16 V N 2.117 122.028 119.914 -0.005 0.000 2.483 16 V HA 0.633 4.756 4.120 0.004 0.000 0.297 16 V C -1.106 174.987 176.094 -0.001 0.000 1.027 16 V CA -0.256 62.043 62.300 -0.002 0.000 0.855 16 V CB 1.050 32.870 31.823 -0.004 0.000 0.995 16 V HN 0.656 nan 8.190 nan 0.000 0.424 17 I N 4.217 124.788 120.570 0.001 0.000 2.503 17 I HA 0.732 4.904 4.170 0.004 0.000 0.282 17 I C 0.888 177.006 176.117 0.002 0.000 1.059 17 I CA 0.454 61.755 61.300 0.001 0.000 1.081 17 I CB 1.330 39.331 38.000 0.001 0.000 1.210 17 I HN 0.815 nan 8.210 nan 0.000 0.450 18 G N 4.581 113.381 108.800 0.001 0.000 2.685 18 G HA2 -0.327 3.636 3.960 0.004 0.000 0.329 18 G HA3 -0.327 3.636 3.960 0.004 0.000 0.329 18 G C 1.038 175.940 174.900 0.003 0.000 1.271 18 G CA 0.877 45.977 45.100 0.001 0.000 1.003 18 G HN 1.047 nan 8.290 nan 0.000 0.549 19 A N -0.702 122.120 122.820 0.004 0.000 2.235 19 A HA 0.491 4.814 4.320 0.004 0.000 0.208 19 A C 0.934 178.525 177.584 0.012 0.000 1.172 19 A CA 1.016 53.057 52.037 0.007 0.000 0.786 19 A CB -0.079 18.924 19.000 0.006 0.000 0.804 19 A HN 0.535 nan 8.150 nan 0.000 0.479 20 I N 0.968 121.544 120.570 0.010 0.000 2.336 20 I HA 0.335 4.507 4.170 0.004 0.000 0.292 20 I C -0.645 175.480 176.117 0.014 0.000 0.991 20 I CA -0.959 60.350 61.300 0.015 0.000 1.227 20 I CB 1.330 39.338 38.000 0.013 0.000 1.366 20 I HN -0.127 nan 8.210 nan 0.000 0.466 21 V N 5.788 125.714 119.914 0.019 0.000 2.444 21 V HA 0.383 4.506 4.120 0.004 0.000 0.294 21 V C -0.574 175.533 176.094 0.022 0.000 1.022 21 V CA -0.899 61.410 62.300 0.015 0.000 0.850 21 V CB 2.070 33.901 31.823 0.013 0.000 0.992 21 V HN 0.535 nan 8.190 nan 0.000 0.426 22 D N 3.583 123.993 120.400 0.016 0.000 2.225 22 D HA 0.551 5.193 4.640 0.004 0.000 0.248 22 D C -0.451 175.853 176.300 0.007 0.000 1.096 22 D CA -0.027 53.987 54.000 0.023 0.000 0.863 22 D CB 2.239 43.053 40.800 0.023 0.000 1.156 22 D HN 0.264 nan 8.370 nan 0.000 0.450 23 V N 2.200 122.120 119.914 0.011 0.000 2.588 23 V HA 0.221 4.343 4.120 0.004 0.000 0.304 23 V C -0.473 175.579 176.094 -0.070 0.000 1.042 23 V CA -0.870 61.385 62.300 -0.074 0.000 0.877 23 V CB 1.904 33.655 31.823 -0.121 0.000 0.996 23 V HN 0.551 nan 8.190 nan 0.000 0.425 24 H N 3.789 122.713 119.070 -0.243 0.000 2.458 24 H HA 0.672 5.231 4.556 0.004 0.000 0.330 24 H C -1.544 173.571 175.328 -0.355 0.000 1.111 24 H CA -0.556 55.389 56.048 -0.172 0.000 1.245 24 H CB 1.133 30.832 29.762 -0.104 0.000 1.456 24 H HN 0.449 nan 8.280 nan 0.000 0.488 25 F N 3.347 122.887 119.950 -0.684 0.000 2.458 25 F HA 0.199 4.729 4.527 0.004 0.000 0.336 25 F C 1.316 176.764 175.800 -0.587 0.000 1.114 25 F CA -0.681 57.032 58.000 -0.479 0.000 0.987 25 F CB 1.854 40.692 39.000 -0.270 0.000 1.130 25 F HN 0.640 nan 8.300 nan 0.000 0.458 26 E N 1.746 121.870 120.200 -0.126 0.000 2.097 26 E HA -0.193 4.159 4.350 0.004 0.000 0.196 26 E C 0.507 177.103 176.600 -0.006 0.000 1.000 26 E CA 1.472 57.852 56.400 -0.033 0.000 0.804 26 E CB -0.122 29.594 29.700 0.027 0.000 0.740 26 E HN 0.869 nan 8.360 nan 0.000 0.454 27 Q N -2.222 117.579 119.800 0.001 0.000 2.922 27 Q HA 0.381 4.723 4.340 0.004 0.000 0.392 27 Q C 1.157 177.147 176.000 -0.017 0.000 0.689 27 Q CA -0.161 55.643 55.803 0.001 0.000 0.905 27 Q CB 0.172 28.916 28.738 0.011 0.000 1.222 27 Q HN -0.171 nan 8.270 nan 0.000 0.432 28 S N -0.737 114.954 115.700 -0.016 0.000 2.440 28 S HA -0.119 4.353 4.470 0.004 0.000 0.240 28 S C -0.320 174.251 174.600 -0.048 0.000 1.014 28 S CA 1.640 59.826 58.200 -0.024 0.000 0.980 28 S CB -0.209 62.982 63.200 -0.015 0.000 0.775 28 S HN 0.398 nan 8.310 nan 0.000 0.499 29 E N 0.470 120.626 120.200 -0.074 0.000 2.186 29 E HA 0.474 4.826 4.350 0.004 0.000 0.255 29 E C -1.568 174.887 176.600 -0.241 0.000 0.881 29 E CA -0.329 56.000 56.400 -0.120 0.000 0.752 29 E CB 1.290 30.930 29.700 -0.100 0.000 1.176 29 E HN 0.110 nan 8.360 nan 0.000 0.421 30 L N 4.958 126.024 121.223 -0.260 0.000 2.334 30 L HA 0.461 4.803 4.340 0.004 0.000 0.277 30 L C -1.985 174.661 176.870 -0.373 0.000 1.075 30 L CA -1.944 52.627 54.840 -0.449 0.000 0.804 30 L CB 0.389 42.211 42.059 -0.396 0.000 1.174 30 L HN 0.428 nan 8.230 nan 0.000 0.438 31 P HA 0.214 nan 4.420 nan 0.000 0.276 31 P C -0.928 176.358 177.300 -0.023 0.000 1.230 31 P CA -0.530 62.415 63.100 -0.259 0.000 0.776 31 P CB 0.817 32.338 31.700 -0.298 0.000 0.888 32 A N 4.309 127.128 122.820 -0.001 0.000 2.498 32 A HA 0.127 4.449 4.320 0.004 0.000 0.239 32 A C 0.728 178.329 177.584 0.028 0.000 1.068 32 A CA -0.376 51.678 52.037 0.027 0.000 0.766 32 A CB -0.564 18.421 19.000 -0.025 0.000 1.003 32 A HN 0.582 nan 8.150 nan 0.000 0.497 33 I N 1.666 122.217 120.570 -0.031 0.000 2.821 33 I HA -0.113 4.059 4.170 0.004 0.000 0.294 33 I C 0.776 176.842 176.117 -0.085 0.000 1.210 33 I CA 0.961 62.224 61.300 -0.061 0.000 1.430 33 I CB 0.002 37.909 38.000 -0.155 0.000 1.356 33 I HN 0.766 nan 8.210 nan 0.000 0.563 34 L N 2.437 123.611 121.223 -0.081 0.000 3.853 34 L HA -0.213 4.130 4.340 0.004 0.000 0.416 34 L C 0.137 176.986 176.870 -0.035 0.000 0.766 34 L CA -0.007 54.751 54.840 -0.138 0.000 2.383 34 L CB -1.317 40.562 42.059 -0.298 0.000 1.276 34 L HN 0.663 nan 8.230 nan 0.000 0.597 35 N N 1.633 120.328 118.700 -0.008 0.000 2.492 35 N HA 0.449 5.191 4.740 0.004 0.000 0.262 35 N C 0.358 175.891 175.510 0.038 0.000 1.202 35 N CA 0.923 53.982 53.050 0.014 0.000 0.926 35 N CB 1.039 39.526 38.487 -0.000 0.000 1.078 35 N HN 0.307 nan 8.380 nan 0.000 0.454 36 A N 2.889 125.736 122.820 0.045 0.000 2.401 36 A HA 0.499 4.821 4.320 0.004 0.000 0.259 36 A C 0.004 177.621 177.584 0.054 0.000 1.103 36 A CA -0.247 51.822 52.037 0.053 0.000 0.789 36 A CB -0.006 19.023 19.000 0.048 0.000 1.035 36 A HN 0.639 nan 8.150 nan 0.000 0.491 37 L N 1.415 122.679 121.223 0.068 0.000 2.303 37 L HA 0.704 5.047 4.340 0.004 0.000 0.266 37 L C 0.049 176.957 176.870 0.063 0.000 1.011 37 L CA -0.653 54.236 54.840 0.083 0.000 0.818 37 L CB 1.821 43.959 42.059 0.130 0.000 1.326 37 L HN 0.742 nan 8.230 nan 0.000 0.435 38 E N 0.846 121.081 120.200 0.058 0.000 2.343 38 E HA 0.683 5.035 4.350 0.004 0.000 0.270 38 E C -1.477 175.141 176.600 0.030 0.000 0.895 38 E CA -0.661 55.762 56.400 0.039 0.000 0.767 38 E CB 3.336 33.055 29.700 0.032 0.000 1.248 38 E HN 0.366 nan 8.360 nan 0.000 0.440 39 I N 2.095 122.677 120.570 0.019 0.000 2.478 39 I HA 0.258 4.430 4.170 0.004 0.000 0.287 39 I C -0.818 175.303 176.117 0.008 0.000 1.042 39 I CA -0.969 60.336 61.300 0.010 0.000 1.067 39 I CB 1.786 39.788 38.000 0.004 0.000 1.233 39 I HN 0.202 nan 8.210 nan 0.000 0.431 40 K N 4.024 124.427 120.400 0.005 0.000 2.447 40 K HA 0.257 4.580 4.320 0.004 0.000 0.281 40 K C 0.034 176.636 176.600 0.002 0.000 1.031 40 K CA 0.202 56.492 56.287 0.004 0.000 1.019 40 K CB 0.520 33.021 32.500 0.003 0.000 0.918 40 K HN 0.695 nan 8.250 nan 0.000 0.476 41 T N -0.383 114.173 114.554 0.003 0.000 2.916 41 T HA 0.450 4.803 4.350 0.004 0.000 0.292 41 T C -1.993 172.708 174.700 0.002 0.000 1.064 41 T CA -1.802 60.299 62.100 0.002 0.000 1.011 41 T CB 1.693 70.563 68.868 0.003 0.000 1.152 41 T HN 0.328 nan 8.240 nan 0.000 0.510 42 P HA 0.058 nan 4.420 nan 0.000 0.242 42 P C 0.640 177.940 177.300 0.001 0.000 1.197 42 P CA 0.467 63.568 63.100 0.001 0.000 0.765 42 P CB 0.315 32.015 31.700 0.000 0.000 0.936 43 Q N -0.686 119.115 119.800 0.002 0.000 2.389 43 Q HA 0.317 4.660 4.340 0.004 0.000 0.201 43 Q C 1.500 177.502 176.000 0.003 0.000 0.956 43 Q CA 1.374 57.178 55.803 0.002 0.000 0.871 43 Q CB -0.335 28.404 28.738 0.002 0.000 0.990 43 Q HN 0.260 nan 8.270 nan 0.000 0.554 44 G N 1.028 109.830 108.800 0.004 0.000 3.078 44 G HA2 0.281 4.244 3.960 0.004 0.000 0.131 44 G HA3 0.281 4.244 3.960 0.004 0.000 0.131 44 G C -1.362 173.542 174.900 0.006 0.000 1.219 44 G CA -0.312 44.791 45.100 0.005 0.000 1.319 44 G HN 0.141 nan 8.290 nan 0.000 0.653 45 K N -0.139 120.265 120.400 0.008 0.000 2.316 45 K HA 0.772 5.094 4.320 0.004 0.000 0.251 45 K C -1.603 175.004 176.600 0.012 0.000 0.934 45 K CA -0.831 55.462 56.287 0.010 0.000 0.802 45 K CB 2.869 35.376 32.500 0.012 0.000 1.171 45 K HN 0.470 nan 8.250 nan 0.000 0.426 46 L N 3.011 124.242 121.223 0.013 0.000 2.264 46 L HA 0.317 4.659 4.340 0.004 0.000 0.289 46 L C -1.231 175.652 176.870 0.021 0.000 1.044 46 L CA -0.383 54.466 54.840 0.015 0.000 0.807 46 L CB 1.536 43.602 42.059 0.012 0.000 1.192 46 L HN 0.552 nan 8.230 nan 0.000 0.425 47 V N 6.671 126.599 119.914 0.024 0.000 2.439 47 V HA 0.440 4.562 4.120 0.004 0.000 0.282 47 V C 0.158 176.275 176.094 0.038 0.000 1.039 47 V CA -0.500 61.819 62.300 0.032 0.000 0.913 47 V CB 1.329 33.171 31.823 0.031 0.000 0.983 47 V HN 0.642 nan 8.190 nan 0.000 0.460 48 L N 4.027 125.278 121.223 0.046 0.000 2.342 48 L HA 0.680 5.022 4.340 0.004 0.000 0.271 48 L C -0.153 176.754 176.870 0.062 0.000 1.008 48 L CA -0.535 54.336 54.840 0.052 0.000 0.818 48 L CB 2.006 44.097 42.059 0.053 0.000 1.296 48 L HN 0.636 nan 8.230 nan 0.000 0.427 49 E N 1.589 121.827 120.200 0.064 0.000 2.171 49 E HA 0.396 4.749 4.350 0.004 0.000 0.271 49 E C -1.311 175.326 176.600 0.062 0.000 0.916 49 E CA -0.786 55.654 56.400 0.068 0.000 0.774 49 E CB 2.142 31.893 29.700 0.086 0.000 1.128 49 E HN 0.366 nan 8.360 nan 0.000 0.403 50 V N 4.482 124.432 119.914 0.059 0.000 2.446 50 V HA 0.121 4.243 4.120 0.004 0.000 0.276 50 V C 0.928 177.048 176.094 0.043 0.000 1.030 50 V CA 0.755 63.098 62.300 0.071 0.000 1.033 50 V CB 0.538 32.415 31.823 0.089 0.000 0.993 50 V HN 0.884 nan 8.190 nan 0.000 0.477 51 A N 4.577 127.429 122.820 0.053 0.000 1.973 51 A HA 0.250 4.573 4.320 0.004 0.000 0.210 51 A C 0.741 178.345 177.584 0.032 0.000 1.200 51 A CA 0.494 52.548 52.037 0.029 0.000 0.707 51 A CB 0.254 19.273 19.000 0.032 0.000 0.862 51 A HN 0.873 nan 8.150 nan 0.000 0.461 52 Q N -1.570 118.280 119.800 0.082 0.000 2.575 52 Q HA 0.417 4.759 4.340 0.004 0.000 0.290 52 Q C -1.719 174.426 176.000 0.242 0.000 0.963 52 Q CA -0.767 55.096 55.803 0.101 0.000 0.783 52 Q CB 0.836 29.611 28.738 0.060 0.000 1.467 52 Q HN 0.483 nan 8.270 nan 0.000 0.402 53 H N 1.315 120.393 119.070 0.013 0.000 2.597 53 H HA 0.299 4.857 4.556 0.004 0.000 0.303 53 H C 0.464 175.808 175.328 0.027 0.000 1.057 53 H CA -0.458 55.603 56.048 0.021 0.000 1.261 53 H CB 1.312 31.078 29.762 0.008 0.000 1.397 53 H HN 0.486 nan 8.280 nan 0.000 0.461 54 L N 2.828 124.122 121.223 0.117 0.000 2.395 54 L HA 0.117 4.459 4.340 0.004 0.000 0.218 54 L C 1.248 178.159 176.870 0.069 0.000 1.130 54 L CA 0.594 55.482 54.840 0.079 0.000 0.826 54 L CB -0.142 41.955 42.059 0.062 0.000 0.941 54 L HN 0.887 nan 8.230 nan 0.000 0.451 55 G N 0.278 109.119 108.800 0.068 0.000 2.707 55 G HA2 -0.204 3.758 3.960 0.004 0.000 0.686 55 G HA3 -0.204 3.758 3.960 0.004 0.000 0.686 55 G C 0.025 174.960 174.900 0.059 0.000 1.315 55 G CA -0.357 44.777 45.100 0.057 0.000 0.832 55 G HN 0.352 nan 8.290 nan 0.000 0.573 56 E N 0.053 120.289 120.200 0.060 0.000 2.360 56 E HA -0.261 4.091 4.350 0.004 0.000 0.238 56 E C 0.711 177.400 176.600 0.149 0.000 1.186 56 E CA 0.677 57.127 56.400 0.084 0.000 0.719 56 E CB -1.124 28.615 29.700 0.064 0.000 1.236 56 E HN 1.049 nan 8.360 nan 0.000 0.386 57 N N -0.929 117.824 118.700 0.089 0.000 2.721 57 N HA -0.155 4.587 4.740 0.004 0.000 0.249 57 N C -0.777 174.787 175.510 0.089 0.000 1.072 57 N CA 1.866 54.939 53.050 0.038 0.000 0.710 57 N CB -1.064 37.406 38.487 -0.029 0.000 0.993 57 N HN 0.260 nan 8.380 nan 0.000 0.547 58 T N -0.398 114.219 114.554 0.106 0.000 2.887 58 T HA 0.649 5.001 4.350 0.004 0.000 0.288 58 T C 0.458 175.186 174.700 0.046 0.000 1.021 58 T CA -0.708 61.463 62.100 0.118 0.000 1.000 58 T CB 2.800 71.744 68.868 0.127 0.000 1.034 58 T HN 0.123 nan 8.240 nan 0.000 0.467 59 V N 0.713 120.675 119.914 0.081 0.000 2.815 59 V HA 0.774 4.896 4.120 0.004 0.000 0.314 59 V C -0.345 175.803 176.094 0.091 0.000 1.064 59 V CA -1.388 60.956 62.300 0.072 0.000 0.952 59 V CB 1.767 33.647 31.823 0.094 0.000 1.020 59 V HN 0.860 nan 8.190 nan 0.000 0.439 60 R N 1.943 122.499 120.500 0.094 0.000 2.393 60 R HA 0.714 5.056 4.340 0.004 0.000 0.310 60 R C -0.243 176.102 176.300 0.075 0.000 0.968 60 R CA 0.192 56.336 56.100 0.073 0.000 0.867 60 R CB 1.557 31.893 30.300 0.060 0.000 1.124 60 R HN 1.147 nan 8.270 nan 0.000 0.450 61 T N 1.802 116.394 114.554 0.063 0.000 2.887 61 T HA 0.499 4.852 4.350 0.004 0.000 0.288 61 T C 0.090 174.817 174.700 0.045 0.000 1.021 61 T CA -0.870 61.267 62.100 0.060 0.000 1.000 61 T CB 1.105 70.014 68.868 0.067 0.000 1.034 61 T HN 0.437 nan 8.240 nan 0.000 0.467 62 I N 2.477 123.074 120.570 0.044 0.000 2.342 62 I HA 0.561 4.733 4.170 0.004 0.000 0.291 62 I C 0.968 177.108 176.117 0.039 0.000 1.010 62 I CA -0.858 60.464 61.300 0.037 0.000 1.308 62 I CB 1.051 39.074 38.000 0.038 0.000 1.400 62 I HN 0.926 nan 8.210 nan 0.000 0.488 63 A N 6.890 129.729 122.820 0.031 0.000 2.313 63 A HA 0.523 4.845 4.320 0.004 0.000 0.261 63 A C 0.715 178.317 177.584 0.029 0.000 1.090 63 A CA -0.289 51.765 52.037 0.029 0.000 0.807 63 A CB 0.542 19.555 19.000 0.021 0.000 1.055 63 A HN 0.796 nan 8.150 nan 0.000 0.492 64 M N 0.094 119.711 119.600 0.029 0.000 2.313 64 M HA 0.230 4.712 4.480 0.004 0.000 0.273 64 M C -0.274 176.040 176.300 0.023 0.000 1.049 64 M CA 0.474 55.792 55.300 0.029 0.000 1.004 64 M CB -0.349 32.271 32.600 0.032 0.000 1.461 64 M HN 0.787 nan 8.290 nan 0.000 0.514 65 D N -0.846 119.565 120.400 0.019 0.000 2.643 65 D HA 0.399 5.041 4.640 0.004 0.000 0.283 65 D C -0.519 175.788 176.300 0.012 0.000 1.242 65 D CA -0.139 53.870 54.000 0.015 0.000 0.863 65 D CB 2.055 42.863 40.800 0.014 0.000 1.382 65 D HN 0.135 nan 8.370 nan 0.000 0.444 66 G N -0.310 108.496 108.800 0.009 0.000 2.287 66 G HA2 0.185 4.148 3.960 0.004 0.000 0.235 66 G HA3 0.185 4.148 3.960 0.004 0.000 0.235 66 G C 0.832 175.735 174.900 0.006 0.000 1.258 66 G CA 0.632 45.735 45.100 0.006 0.000 0.884 66 G HN 0.394 nan 8.290 nan 0.000 0.518 67 T N -0.311 114.246 114.554 0.005 0.000 3.206 67 T HA 0.217 4.569 4.350 0.004 0.000 0.253 67 T C 0.419 175.120 174.700 0.001 0.000 1.042 67 T CA -0.317 61.785 62.100 0.004 0.000 0.931 67 T CB 0.073 68.943 68.868 0.004 0.000 1.029 67 T HN 0.543 nan 8.240 nan 0.000 0.564 68 E N 1.491 121.692 120.200 0.001 0.000 2.481 68 E HA 0.393 4.746 4.350 0.004 0.000 0.263 68 E C 1.498 178.097 176.600 -0.001 0.000 0.992 68 E CA 1.135 57.535 56.400 -0.000 0.000 0.938 68 E CB -0.351 29.349 29.700 0.000 0.000 0.933 68 E HN 0.363 nan 8.360 nan 0.000 0.453 69 G N 2.075 110.873 108.800 -0.002 0.000 2.234 69 G HA2 -0.322 3.641 3.960 0.004 0.000 0.260 69 G HA3 -0.322 3.641 3.960 0.004 0.000 0.260 69 G C 0.209 175.107 174.900 -0.004 0.000 0.987 69 G CA -0.050 45.048 45.100 -0.003 0.000 0.625 69 G HN 0.417 nan 8.290 nan 0.000 0.532 70 L N 1.027 122.247 121.223 -0.005 0.000 2.490 70 L HA 0.384 4.727 4.340 0.004 0.000 0.274 70 L C 0.720 177.585 176.870 -0.009 0.000 1.201 70 L CA -0.058 54.778 54.840 -0.007 0.000 0.869 70 L CB 1.001 43.056 42.059 -0.006 0.000 1.123 70 L HN 0.036 nan 8.230 nan 0.000 0.484 71 V N 4.141 124.048 119.914 -0.012 0.000 2.581 71 V HA 0.377 4.499 4.120 0.004 0.000 0.303 71 V C 0.274 176.357 176.094 -0.019 0.000 1.041 71 V CA -0.975 61.317 62.300 -0.014 0.000 0.907 71 V CB 1.814 33.629 31.823 -0.014 0.000 0.994 71 V HN 0.683 nan 8.190 nan 0.000 0.442 72 R N 2.018 122.506 120.500 -0.020 0.000 2.585 72 R HA 0.374 4.716 4.340 0.004 0.000 0.275 72 R C 1.263 177.546 176.300 -0.028 0.000 1.018 72 R CA 1.120 57.205 56.100 -0.025 0.000 1.072 72 R CB 0.105 30.390 30.300 -0.025 0.000 0.953 72 R HN 1.231 nan 8.270 nan 0.000 0.419 73 G N 1.519 110.298 108.800 -0.035 0.000 2.143 73 G HA2 -0.307 3.655 3.960 0.004 0.000 0.249 73 G HA3 -0.307 3.655 3.960 0.004 0.000 0.249 73 G C 0.043 174.921 174.900 -0.037 0.000 0.981 73 G CA 0.095 45.173 45.100 -0.037 0.000 0.665 73 G HN 0.628 nan 8.290 nan 0.000 0.528 74 E N 0.177 120.354 120.200 -0.039 0.000 2.349 74 E HA 0.438 4.790 4.350 0.004 0.000 0.265 74 E C 0.553 177.122 176.600 -0.051 0.000 1.064 74 E CA -0.648 55.730 56.400 -0.036 0.000 0.886 74 E CB 0.449 30.132 29.700 -0.028 0.000 1.036 74 E HN 0.266 nan 8.360 nan 0.000 0.413 75 K N 2.309 122.684 120.400 -0.042 0.000 2.339 75 K HA 0.210 4.532 4.320 0.004 0.000 0.286 75 K C -1.358 175.215 176.600 -0.046 0.000 1.050 75 K CA -0.371 55.887 56.287 -0.048 0.000 0.956 75 K CB 0.686 33.170 32.500 -0.026 0.000 0.990 75 K HN 0.182 nan 8.250 nan 0.000 0.475 76 V N 5.870 125.739 119.914 -0.075 0.000 2.540 76 V HA 0.363 4.485 4.120 0.004 0.000 0.302 76 V C -0.946 175.168 176.094 0.032 0.000 1.035 76 V CA -1.063 61.212 62.300 -0.042 0.000 0.873 76 V CB 1.451 33.214 31.823 -0.100 0.000 0.992 76 V HN 0.684 nan 8.190 nan 0.000 0.428 77 L N 3.647 124.917 121.223 0.078 0.000 2.313 77 L HA 0.672 5.014 4.340 0.004 0.000 0.283 77 L C -0.367 176.582 176.870 0.132 0.000 1.013 77 L CA -0.046 54.858 54.840 0.108 0.000 0.816 77 L CB 1.537 43.632 42.059 0.060 0.000 1.236 77 L HN 0.704 nan 8.230 nan 0.000 0.419 78 D N 1.979 122.470 120.400 0.151 0.000 2.390 78 D HA 0.106 4.748 4.640 0.004 0.000 0.249 78 D C 1.157 177.481 176.300 0.040 0.000 1.144 78 D CA 0.714 54.760 54.000 0.078 0.000 0.880 78 D CB 1.459 42.251 40.800 -0.013 0.000 1.182 78 D HN 0.748 nan 8.370 nan 0.000 0.451 79 T N 0.862 115.435 114.554 0.032 0.000 3.081 79 T HA 0.189 4.541 4.350 0.004 0.000 0.255 79 T C 1.486 176.190 174.700 0.007 0.000 1.113 79 T CA 0.475 62.587 62.100 0.021 0.000 1.082 79 T CB -0.282 68.600 68.868 0.024 0.000 0.939 79 T HN 0.725 nan 8.240 nan 0.000 0.506 80 G N 0.108 108.905 108.800 -0.005 0.000 2.176 80 G HA2 0.236 4.198 3.960 0.004 0.000 0.252 80 G HA3 0.236 4.198 3.960 0.004 0.000 0.252 80 G C 0.386 175.282 174.900 -0.008 0.000 1.024 80 G CA -0.229 44.862 45.100 -0.015 0.000 0.755 80 G HN 1.508 nan 8.290 nan 0.000 0.507 81 G N -1.622 107.179 108.800 0.001 0.000 2.368 81 G HA2 0.734 4.696 3.960 0.004 0.000 0.293 81 G HA3 0.734 4.696 3.960 0.004 0.000 0.293 81 G C -3.326 171.588 174.900 0.024 0.000 1.467 81 G CA -0.010 45.096 45.100 0.009 0.000 0.804 81 G HN 0.276 nan 8.290 nan 0.000 0.535 82 P HA 0.463 nan 4.420 nan 0.000 0.277 82 P C 0.220 177.560 177.300 0.067 0.000 1.271 82 P CA -0.682 62.462 63.100 0.073 0.000 0.795 82 P CB 0.657 32.431 31.700 0.122 0.000 1.101 83 I N 0.161 120.782 120.570 0.084 0.000 2.906 83 I HA -0.078 4.094 4.170 0.004 0.000 0.301 83 I C 0.864 176.997 176.117 0.027 0.000 1.221 83 I CA 1.405 62.735 61.300 0.050 0.000 1.435 83 I CB -0.325 37.704 38.000 0.047 0.000 1.345 83 I HN 0.201 nan 8.210 nan 0.000 0.558 84 S N 5.149 120.855 115.700 0.010 0.000 2.537 84 S HA 0.748 5.220 4.470 0.004 0.000 0.301 84 S C -0.566 174.022 174.600 -0.020 0.000 1.092 84 S CA -0.727 57.469 58.200 -0.006 0.000 1.048 84 S CB 1.890 65.086 63.200 -0.007 0.000 1.053 84 S HN 0.450 nan 8.310 nan 0.000 0.501 85 V N 0.660 120.553 119.914 -0.035 0.000 2.876 85 V HA 0.672 4.795 4.120 0.004 0.000 0.312 85 V C -3.070 172.981 176.094 -0.072 0.000 1.085 85 V CA -3.126 59.146 62.300 -0.046 0.000 0.945 85 V CB 1.172 32.967 31.823 -0.046 0.000 1.017 85 V HN 0.537 nan 8.190 nan 0.000 0.428 86 P HA 0.227 nan 4.420 nan 0.000 0.263 86 P C -0.124 177.075 177.300 -0.167 0.000 1.195 86 P CA 0.377 63.409 63.100 -0.113 0.000 0.762 86 P CB 0.654 32.306 31.700 -0.080 0.000 0.799 87 V N 0.958 120.691 119.914 -0.302 0.000 3.234 87 V HA 0.979 5.101 4.120 0.004 0.000 0.317 87 V C 0.464 176.133 176.094 -0.708 0.000 1.147 87 V CA -0.291 61.696 62.300 -0.521 0.000 1.037 87 V CB 0.793 32.141 31.823 -0.791 0.000 1.148 87 V HN 0.904 nan 8.190 nan 0.000 0.455 88 G N 0.738 108.905 108.800 -1.054 0.000 2.795 88 G HA2 -0.183 3.780 3.960 0.004 0.000 0.664 88 G HA3 -0.183 3.780 3.960 0.004 0.000 0.664 88 G C 0.127 174.781 174.900 -0.410 0.000 1.381 88 G CA 0.285 44.862 45.100 -0.871 0.000 0.853 88 G HN 1.025 nan 8.290 nan 0.000 0.545 89 R N 0.313 120.668 120.500 -0.242 0.000 2.261 89 R HA -0.078 4.265 4.340 0.004 0.000 0.236 89 R C 1.933 178.214 176.300 -0.032 0.000 1.141 89 R CA 1.640 57.697 56.100 -0.071 0.000 1.001 89 R CB -0.110 30.168 30.300 -0.036 0.000 0.866 89 R HN 0.599 nan 8.270 nan 0.000 0.468 90 E N -0.167 119.990 120.200 -0.071 0.000 2.516 90 E HA -0.086 4.266 4.350 0.004 0.000 0.199 90 E C 1.471 178.057 176.600 -0.023 0.000 1.069 90 E CA 1.294 57.666 56.400 -0.045 0.000 0.876 90 E CB 0.138 29.797 29.700 -0.069 0.000 0.843 90 E HN 0.490 nan 8.360 nan 0.000 0.530 91 T N -2.194 112.360 114.554 -0.001 0.000 3.037 91 T HA 0.148 4.500 4.350 0.004 0.000 0.251 91 T C 1.056 175.780 174.700 0.039 0.000 1.079 91 T CA -0.271 61.842 62.100 0.022 0.000 1.067 91 T CB -0.095 68.797 68.868 0.039 0.000 0.948 91 T HN -0.066 nan 8.240 nan 0.000 0.496 92 L N 2.185 123.430 121.223 0.037 0.000 2.499 92 L HA 0.453 4.795 4.340 0.004 0.000 0.273 92 L C 1.633 178.538 176.870 0.058 0.000 1.195 92 L CA 1.018 55.876 54.840 0.029 0.000 0.882 92 L CB 0.073 42.138 42.059 0.009 0.000 1.133 92 L HN 0.542 nan 8.230 nan 0.000 0.483 93 G N 1.674 110.523 108.800 0.081 0.000 2.159 93 G HA2 -0.209 3.753 3.960 0.004 0.000 0.256 93 G HA3 -0.209 3.753 3.960 0.004 0.000 0.256 93 G C 0.263 175.245 174.900 0.136 0.000 0.977 93 G CA -0.401 44.770 45.100 0.119 0.000 0.652 93 G HN 0.456 nan 8.290 nan 0.000 0.531 94 R N -0.397 120.155 120.500 0.087 0.000 2.787 94 R HA 0.769 5.111 4.340 0.004 0.000 0.271 94 R C 0.096 176.411 176.300 0.025 0.000 0.993 94 R CA -1.035 55.097 56.100 0.054 0.000 0.993 94 R CB 1.043 31.362 30.300 0.030 0.000 1.155 94 R HN 0.254 nan 8.270 nan 0.000 0.486 95 I N 2.422 122.976 120.570 -0.027 0.000 2.377 95 I HA 0.427 4.599 4.170 0.004 0.000 0.293 95 I C -0.020 176.109 176.117 0.019 0.000 0.987 95 I CA -0.535 60.760 61.300 -0.008 0.000 1.185 95 I CB 1.277 39.216 38.000 -0.102 0.000 1.341 95 I HN 0.275 nan 8.210 nan 0.000 0.455 96 I N 5.320 125.915 120.570 0.042 0.000 2.569 96 I HA 0.346 4.519 4.170 0.004 0.000 0.296 96 I C 0.102 176.244 176.117 0.042 0.000 1.028 96 I CA -0.771 60.543 61.300 0.023 0.000 1.082 96 I CB 1.654 39.654 38.000 -0.001 0.000 1.264 96 I HN 0.499 nan 8.210 nan 0.000 0.429 97 N N 1.968 120.686 118.700 0.030 0.000 2.263 97 N HA 0.040 4.783 4.740 0.004 0.000 0.239 97 N C 0.918 176.440 175.510 0.019 0.000 1.317 97 N CA -0.100 52.970 53.050 0.033 0.000 0.909 97 N CB 0.847 39.347 38.487 0.021 0.000 1.171 97 N HN 0.503 nan 8.380 nan 0.000 0.492 98 V N 0.960 120.887 119.914 0.022 0.000 2.548 98 V HA -0.069 4.053 4.120 0.004 0.000 0.249 98 V C 1.493 177.587 176.094 0.001 0.000 1.055 98 V CA 1.508 63.813 62.300 0.008 0.000 1.065 98 V CB -0.434 31.400 31.823 0.018 0.000 0.681 98 V HN 0.633 nan 8.190 nan 0.000 0.462 99 I N -1.329 119.246 120.570 0.008 0.000 3.806 99 I HA 0.516 4.688 4.170 0.004 0.000 0.321 99 I C 1.173 177.290 176.117 -0.001 0.000 1.315 99 I CA 0.431 61.735 61.300 0.006 0.000 1.148 99 I CB -0.683 37.325 38.000 0.014 0.000 1.028 99 I HN 0.304 nan 8.210 nan 0.000 0.415 100 G N 1.491 110.288 108.800 -0.006 0.000 2.298 100 G HA2 -0.255 3.708 3.960 0.004 0.000 0.287 100 G HA3 -0.255 3.708 3.960 0.004 0.000 0.287 100 G C -0.308 174.587 174.900 -0.009 0.000 1.075 100 G CA 0.049 45.142 45.100 -0.013 0.000 0.960 100 G HN 0.693 nan 8.290 nan 0.000 0.502 101 E N 0.089 120.288 120.200 -0.002 0.000 2.207 101 E HA 0.478 4.831 4.350 0.004 0.000 0.270 101 E C -2.591 174.010 176.600 0.001 0.000 0.927 101 E CA -2.316 54.084 56.400 -0.001 0.000 0.799 101 E CB 2.165 31.867 29.700 0.003 0.000 1.172 101 E HN 0.124 nan 8.360 nan 0.000 0.404 102 P HA 0.145 nan 4.420 nan 0.000 0.282 102 P C -0.311 176.986 177.300 -0.006 0.000 1.274 102 P CA -0.073 63.026 63.100 -0.003 0.000 0.770 102 P CB 0.087 31.785 31.700 -0.003 0.000 0.867 103 I N -0.012 120.551 120.570 -0.011 0.000 3.376 103 I HA 0.379 4.552 4.170 0.004 0.000 0.347 103 I C -0.153 175.930 176.117 -0.058 0.000 1.453 103 I CA -0.228 61.058 61.300 -0.023 0.000 1.044 103 I CB -0.027 37.967 38.000 -0.011 0.000 1.668 103 I HN 0.051 nan 8.210 nan 0.000 0.490 104 D N 0.200 120.570 120.400 -0.050 0.000 2.540 104 D HA 0.029 4.671 4.640 0.004 0.000 0.229 104 D C 0.462 176.760 176.300 -0.004 0.000 1.250 104 D CA -0.287 53.675 54.000 -0.063 0.000 0.817 104 D CB -0.141 40.604 40.800 -0.092 0.000 1.060 104 D HN 0.479 nan 8.370 nan 0.000 0.508 105 E N 0.166 120.364 120.200 -0.003 0.000 2.971 105 E HA -0.266 4.086 4.350 0.004 0.000 0.271 105 E C 0.453 177.064 176.600 0.018 0.000 1.053 105 E CA 0.468 56.873 56.400 0.009 0.000 0.817 105 E CB -1.010 28.697 29.700 0.012 0.000 1.410 105 E HN 0.381 nan 8.360 nan 0.000 0.445 106 R N 0.160 120.673 120.500 0.021 0.000 2.480 106 R HA 0.228 4.570 4.340 0.004 0.000 0.277 106 R C 1.003 177.315 176.300 0.019 0.000 1.008 106 R CA 0.407 56.524 56.100 0.028 0.000 1.090 106 R CB 0.650 30.977 30.300 0.045 0.000 1.234 106 R HN 0.321 nan 8.270 nan 0.000 0.549 107 G N 1.923 110.730 108.800 0.012 0.000 2.642 107 G HA2 -0.255 3.707 3.960 0.004 0.000 0.231 107 G HA3 -0.255 3.707 3.960 0.004 0.000 0.231 107 G C -2.523 172.380 174.900 0.004 0.000 1.338 107 G CA -1.106 43.999 45.100 0.007 0.000 0.883 107 G HN 0.113 nan 8.290 nan 0.000 0.570 108 P HA 0.441 nan 4.420 nan 0.000 0.271 108 P C 0.092 177.389 177.300 -0.005 0.000 1.216 108 P CA -0.214 62.884 63.100 -0.003 0.000 0.776 108 P CB 0.445 32.142 31.700 -0.005 0.000 0.881 109 I N 3.230 123.794 120.570 -0.011 0.000 2.241 109 I HA 0.088 4.260 4.170 0.004 0.000 0.294 109 I C 0.778 176.878 176.117 -0.028 0.000 1.145 109 I CA -0.086 61.204 61.300 -0.017 0.000 1.261 109 I CB -0.304 37.684 38.000 -0.020 0.000 1.475 109 I HN 0.091 nan 8.210 nan 0.000 0.533 110 K N 4.830 125.216 120.400 -0.024 0.000 2.054 110 K HA 0.087 4.409 4.320 0.004 0.000 0.242 110 K C 0.525 177.098 176.600 -0.045 0.000 1.157 110 K CA -0.179 56.091 56.287 -0.029 0.000 1.079 110 K CB 0.056 32.545 32.500 -0.019 0.000 1.331 110 K HN 0.609 nan 8.250 nan 0.000 0.317 111 S N 0.961 116.622 115.700 -0.064 0.000 2.672 111 S HA 0.243 4.716 4.470 0.004 0.000 0.276 111 S C 0.974 175.521 174.600 -0.088 0.000 1.207 111 S CA -0.767 57.373 58.200 -0.099 0.000 1.002 111 S CB 1.643 64.756 63.200 -0.145 0.000 0.998 111 S HN 0.365 nan 8.310 nan 0.000 0.542 112 K N 0.211 120.549 120.400 -0.103 0.000 2.067 112 K HA 0.242 4.564 4.320 0.004 0.000 0.203 112 K C 0.259 176.813 176.600 -0.077 0.000 1.048 112 K CA 0.733 56.977 56.287 -0.073 0.000 0.954 112 K CB -0.373 32.095 32.500 -0.054 0.000 0.737 112 K HN 0.508 nan 8.250 nan 0.000 0.444 113 L N 0.686 121.834 121.223 -0.124 0.000 2.322 113 L HA 0.397 4.739 4.340 0.004 0.000 0.269 113 L C -0.165 176.627 176.870 -0.131 0.000 1.012 113 L CA -0.828 53.950 54.840 -0.103 0.000 0.815 113 L CB 1.873 43.891 42.059 -0.069 0.000 1.295 113 L HN -0.064 nan 8.230 nan 0.000 0.438 114 R N 1.947 122.398 120.500 -0.082 0.000 2.472 114 R HA 0.326 4.668 4.340 0.004 0.000 0.294 114 R C -1.059 175.214 176.300 -0.045 0.000 1.243 114 R CA -0.601 55.454 56.100 -0.074 0.000 1.023 114 R CB 1.478 31.746 30.300 -0.053 0.000 1.157 114 R HN 0.484 nan 8.270 nan 0.000 0.530 115 K N 3.182 123.553 120.400 -0.048 0.000 2.118 115 K HA 0.344 4.666 4.320 0.004 0.000 0.264 115 K C -2.198 174.397 176.600 -0.008 0.000 1.000 115 K CA -1.780 54.500 56.287 -0.012 0.000 0.929 115 K CB 1.012 33.520 32.500 0.013 0.000 1.021 115 K HN 0.229 nan 8.250 nan 0.000 0.463 116 P HA 0.035 nan 4.420 nan 0.000 0.272 116 P C 0.409 177.710 177.300 0.001 0.000 1.223 116 P CA 0.009 63.121 63.100 0.021 0.000 0.784 116 P CB 0.395 32.123 31.700 0.047 0.000 0.923 117 I N -1.869 118.684 120.570 -0.029 0.000 3.419 117 I HA 0.124 4.296 4.170 0.004 0.000 0.286 117 I C 0.733 176.719 176.117 -0.219 0.000 1.268 117 I CA 0.414 61.636 61.300 -0.130 0.000 1.414 117 I CB -0.734 37.154 38.000 -0.187 0.000 1.074 117 I HN 0.219 nan 8.210 nan 0.000 0.457 118 H N 2.817 121.882 119.070 -0.009 0.000 2.552 118 H HA 0.770 5.328 4.556 0.004 0.000 0.311 118 H C -0.519 174.803 175.328 -0.009 0.000 1.071 118 H CA -0.294 55.749 56.048 -0.009 0.000 1.307 118 H CB 1.550 31.311 29.762 -0.002 0.000 1.416 118 H HN 0.393 nan 8.280 nan 0.000 0.464 119 A N 3.760 126.628 122.820 0.081 0.000 2.515 119 A HA 0.268 4.590 4.320 0.004 0.000 0.298 119 A C -0.685 176.921 177.584 0.036 0.000 1.059 119 A CA -0.977 51.089 52.037 0.048 0.000 0.698 119 A CB 1.445 20.458 19.000 0.021 0.000 1.289 119 A HN 0.568 nan 8.150 nan 0.000 0.404 120 D N 3.011 123.428 120.400 0.029 0.000 2.424 120 D HA 0.314 4.956 4.640 0.004 0.000 0.244 120 D C -2.004 174.305 176.300 0.016 0.000 1.134 120 D CA -0.063 53.951 54.000 0.023 0.000 0.881 120 D CB 0.649 41.461 40.800 0.020 0.000 1.191 120 D HN 0.310 nan 8.370 nan 0.000 0.445 121 P HA 0.164 nan 4.420 nan 0.000 0.268 121 P C -2.492 174.818 177.300 0.017 0.000 1.205 121 P CA -1.054 62.053 63.100 0.011 0.000 0.771 121 P CB -0.427 31.283 31.700 0.017 0.000 0.858 122 P HA -0.047 nan 4.420 nan 0.000 0.263 122 P C 0.660 177.976 177.300 0.028 0.000 1.175 122 P CA 0.458 63.564 63.100 0.009 0.000 0.761 122 P CB 0.131 31.829 31.700 -0.004 0.000 0.794 123 S N 2.692 118.413 115.700 0.035 0.000 2.633 123 S HA 0.105 4.577 4.470 0.004 0.000 0.257 123 S C 0.972 175.631 174.600 0.099 0.000 1.265 123 S CA -0.310 57.935 58.200 0.075 0.000 0.980 123 S CB -0.074 63.169 63.200 0.073 0.000 1.017 123 S HN 0.382 nan 8.310 nan 0.000 0.577 124 F N 1.053 121.005 119.950 0.002 0.000 2.186 124 F HA 0.130 4.659 4.527 0.004 0.000 0.299 124 F C 2.425 178.225 175.800 0.001 0.000 1.090 124 F CA 1.458 59.460 58.000 0.003 0.000 1.307 124 F CB -0.927 38.075 39.000 0.003 0.000 1.019 124 F HN 0.679 nan 8.300 nan 0.000 0.489 125 A N -0.310 122.539 122.820 0.048 0.000 2.066 125 A HA -0.091 4.231 4.320 0.004 0.000 0.218 125 A C 1.892 179.417 177.584 -0.098 0.000 1.157 125 A CA 1.289 53.299 52.037 -0.046 0.000 0.670 125 A CB -0.714 18.317 19.000 0.052 0.000 0.804 125 A HN 0.550 nan 8.150 nan 0.000 0.453 126 E N 0.169 120.326 120.200 -0.072 0.000 2.502 126 E HA -0.005 4.347 4.350 0.004 0.000 0.194 126 E C -0.040 176.503 176.600 -0.096 0.000 1.062 126 E CA -0.157 56.204 56.400 -0.064 0.000 0.867 126 E CB 0.127 29.809 29.700 -0.030 0.000 0.888 126 E HN 0.541 nan 8.360 nan 0.000 0.510 127 Q N 0.414 120.113 119.800 -0.169 0.000 2.340 127 Q HA 0.179 4.521 4.340 0.004 0.000 0.249 127 Q C -0.322 175.588 176.000 -0.151 0.000 0.957 127 Q CA 0.197 55.895 55.803 -0.176 0.000 0.882 127 Q CB 1.764 30.332 28.738 -0.283 0.000 1.235 127 Q HN -0.092 nan 8.270 nan 0.000 0.439 128 S N 1.257 116.894 115.700 -0.104 0.000 2.524 128 S HA 0.278 4.750 4.470 0.004 0.000 0.227 128 S C -0.872 173.691 174.600 -0.062 0.000 1.304 128 S CA -0.606 57.548 58.200 -0.078 0.000 1.185 128 S CB 0.159 63.327 63.200 -0.053 0.000 1.104 128 S HN 0.546 nan 8.310 nan 0.000 0.475 129 T N 1.976 116.490 114.554 -0.066 0.000 2.806 129 T HA 0.755 5.107 4.350 0.004 0.000 0.290 129 T C 0.197 174.880 174.700 -0.029 0.000 0.966 129 T CA -0.577 61.495 62.100 -0.046 0.000 1.060 129 T CB 1.236 70.074 68.868 -0.049 0.000 0.927 129 T HN 0.586 nan 8.240 nan 0.000 0.485 130 S N 0.547 116.237 115.700 -0.017 0.000 2.776 130 S HA 0.836 5.309 4.470 0.004 0.000 0.292 130 S C -0.696 173.905 174.600 0.002 0.000 1.187 130 S CA -0.818 57.377 58.200 -0.007 0.000 0.834 130 S CB 1.401 64.598 63.200 -0.005 0.000 1.199 130 S HN 1.530 nan 8.310 nan 0.000 0.514 131 A N 0.276 123.101 122.820 0.008 0.000 3.455 131 A HA 0.572 4.895 4.320 0.004 0.000 0.225 131 A C -0.617 176.981 177.584 0.023 0.000 1.052 131 A CA -0.339 51.708 52.037 0.016 0.000 1.005 131 A CB -0.101 18.906 19.000 0.012 0.000 1.318 131 A HN 0.676 nan 8.150 nan 0.000 0.639 132 E N 0.893 121.109 120.200 0.027 0.000 2.175 132 E HA 0.530 4.883 4.350 0.004 0.000 0.278 132 E C -0.753 175.875 176.600 0.047 0.000 0.969 132 E CA -0.786 55.634 56.400 0.034 0.000 0.796 132 E CB 0.821 30.538 29.700 0.029 0.000 1.104 132 E HN 0.495 nan 8.360 nan 0.000 0.395 133 I N 4.260 124.862 120.570 0.054 0.000 2.533 133 I HA 0.030 4.202 4.170 0.004 0.000 0.284 133 I C 0.042 176.199 176.117 0.066 0.000 1.109 133 I CA 0.051 61.392 61.300 0.068 0.000 1.412 133 I CB 0.233 38.276 38.000 0.072 0.000 1.396 133 I HN 0.399 nan 8.210 nan 0.000 0.543 134 L N 6.678 127.953 121.223 0.086 0.000 2.288 134 L HA 0.338 4.680 4.340 0.004 0.000 0.283 134 L C 0.356 177.269 176.870 0.072 0.000 1.072 134 L CA -0.018 54.875 54.840 0.088 0.000 0.862 134 L CB 0.133 42.262 42.059 0.117 0.000 1.245 134 L HN 0.604 nan 8.230 nan 0.000 0.432 135 E N 1.781 122.006 120.200 0.041 0.000 2.417 135 E HA -0.042 4.311 4.350 0.004 0.000 0.261 135 E C 0.643 177.246 176.600 0.005 0.000 1.000 135 E CA 0.681 57.087 56.400 0.010 0.000 0.919 135 E CB 0.843 30.545 29.700 0.003 0.000 0.955 135 E HN 0.773 nan 8.360 nan 0.000 0.455 136 T N 0.804 115.337 114.554 -0.034 0.000 2.990 136 T HA 0.223 4.575 4.350 0.004 0.000 0.249 136 T C 1.321 175.975 174.700 -0.077 0.000 1.039 136 T CA 0.554 62.629 62.100 -0.042 0.000 1.036 136 T CB 0.299 69.109 68.868 -0.096 0.000 0.994 136 T HN 0.699 nan 8.240 nan 0.000 0.489 137 G N 1.522 110.278 108.800 -0.073 0.000 2.148 137 G HA2 -0.196 3.766 3.960 0.004 0.000 0.254 137 G HA3 -0.196 3.766 3.960 0.004 0.000 0.254 137 G C -0.039 174.810 174.900 -0.086 0.000 0.981 137 G CA 0.333 45.388 45.100 -0.075 0.000 0.670 137 G HN 0.677 nan 8.290 nan 0.000 0.528 138 I N 0.233 120.748 120.570 -0.091 0.000 2.355 138 I HA 0.281 4.454 4.170 0.004 0.000 0.288 138 I C 1.496 177.601 176.117 -0.020 0.000 0.999 138 I CA -0.934 60.342 61.300 -0.039 0.000 1.163 138 I CB 1.462 39.425 38.000 -0.061 0.000 1.316 138 I HN -0.028 nan 8.210 nan 0.000 0.454 139 K N 3.547 123.945 120.400 -0.004 0.000 2.000 139 K HA -0.225 4.097 4.320 0.004 0.000 0.218 139 K C 1.872 178.410 176.600 -0.103 0.000 1.053 139 K CA 2.270 58.518 56.287 -0.065 0.000 0.946 139 K CB -0.274 32.193 32.500 -0.055 0.000 0.723 139 K HN 0.661 nan 8.250 nan 0.000 0.446 140 V N -0.248 119.643 119.914 -0.039 0.000 2.282 140 V HA -0.258 3.864 4.120 0.004 0.000 0.249 140 V C 2.298 178.365 176.094 -0.045 0.000 1.057 140 V CA 1.956 64.229 62.300 -0.046 0.000 1.032 140 V CB -1.136 30.719 31.823 0.054 0.000 0.645 140 V HN 0.077 nan 8.190 nan 0.000 0.447 141 V N 1.008 120.911 119.914 -0.019 0.000 2.237 141 V HA -0.248 3.874 4.120 0.004 0.000 0.245 141 V C 2.543 178.557 176.094 -0.133 0.000 1.046 141 V CA 2.525 64.748 62.300 -0.128 0.000 1.007 141 V CB -0.987 30.640 31.823 -0.327 0.000 0.638 141 V HN 0.495 nan 8.190 nan 0.000 0.445 142 D N -0.195 120.135 120.400 -0.117 0.000 2.149 142 D HA -0.155 4.487 4.640 0.004 0.000 0.198 142 D C 1.873 178.192 176.300 0.033 0.000 0.990 142 D CA 1.247 55.209 54.000 -0.063 0.000 0.839 142 D CB -0.231 40.518 40.800 -0.085 0.000 0.948 142 D HN 0.366 nan 8.370 nan 0.000 0.460 143 L N -0.463 120.744 121.223 -0.026 0.000 2.102 143 L HA 0.071 4.414 4.340 0.004 0.000 0.202 143 L C 1.870 178.777 176.870 0.062 0.000 1.076 143 L CA 1.329 56.211 54.840 0.069 0.000 0.761 143 L CB -0.041 41.859 42.059 -0.266 0.000 0.921 143 L HN -0.024 nan 8.230 nan 0.000 0.444 144 L N -1.243 119.947 121.223 -0.054 0.000 2.537 144 L HA 0.380 4.723 4.340 0.004 0.000 0.224 144 L C 0.727 177.572 176.870 -0.041 0.000 1.065 144 L CA 0.488 55.283 54.840 -0.075 0.000 0.860 144 L CB 0.051 42.058 42.059 -0.087 0.000 1.086 144 L HN 0.203 nan 8.230 nan 0.000 0.482 145 A N 0.246 123.057 122.820 -0.014 0.000 3.453 145 A HA 0.497 4.819 4.320 0.004 0.000 0.262 145 A C -2.651 174.959 177.584 0.044 0.000 1.026 145 A CA -0.857 51.200 52.037 0.034 0.000 0.938 145 A CB -0.216 18.828 19.000 0.073 0.000 1.246 145 A HN -0.129 nan 8.150 nan 0.000 0.546 146 P HA 0.211 nan 4.420 nan 0.000 0.268 146 P C -0.576 176.822 177.300 0.163 0.000 1.205 146 P CA 0.361 63.476 63.100 0.025 0.000 0.771 146 P CB 0.269 32.011 31.700 0.070 0.000 0.858 147 Y N 1.010 121.349 120.300 0.065 0.000 2.326 147 Y HA 0.453 5.006 4.550 0.004 0.000 0.333 147 Y C 1.022 176.942 175.900 0.033 0.000 1.240 147 Y CA -1.466 56.664 58.100 0.050 0.000 1.365 147 Y CB -0.052 38.440 38.460 0.053 0.000 1.289 147 Y HN 0.322 nan 8.280 nan 0.000 0.548 148 A N 3.733 126.661 122.820 0.179 0.000 2.304 148 A HA 0.510 4.832 4.320 0.004 0.000 0.323 148 A C 0.042 177.656 177.584 0.050 0.000 1.195 148 A CA -1.009 51.083 52.037 0.092 0.000 0.826 148 A CB 0.493 19.528 19.000 0.060 0.000 1.184 148 A HN 0.776 nan 8.150 nan 0.000 0.496 149 R N 1.146 121.673 120.500 0.045 0.000 2.480 149 R HA 0.259 4.602 4.340 0.004 0.000 0.303 149 R C 1.229 177.529 176.300 0.001 0.000 0.985 149 R CA 1.482 57.596 56.100 0.022 0.000 1.051 149 R CB 0.124 30.445 30.300 0.034 0.000 0.935 149 R HN 1.624 nan 8.270 nan 0.000 0.410 150 G N 2.174 110.960 108.800 -0.023 0.000 2.148 150 G HA2 -0.249 3.713 3.960 0.004 0.000 0.254 150 G HA3 -0.249 3.713 3.960 0.004 0.000 0.254 150 G C 0.411 175.285 174.900 -0.042 0.000 0.981 150 G CA 0.049 45.130 45.100 -0.032 0.000 0.670 150 G HN 0.861 nan 8.290 nan 0.000 0.528 151 G N -0.757 108.015 108.800 -0.047 0.000 2.511 151 G HA2 0.646 4.609 3.960 0.004 0.000 0.316 151 G HA3 0.646 4.609 3.960 0.004 0.000 0.316 151 G C -0.170 174.675 174.900 -0.092 0.000 1.210 151 G CA -0.725 44.346 45.100 -0.048 0.000 0.969 151 G HN 0.413 nan 8.290 nan 0.000 0.492 152 K N -0.534 119.818 120.400 -0.080 0.000 2.138 152 K HA 0.603 4.925 4.320 0.004 0.000 0.263 152 K C -1.064 175.451 176.600 -0.142 0.000 0.965 152 K CA -0.333 55.885 56.287 -0.114 0.000 0.868 152 K CB 2.250 34.709 32.500 -0.069 0.000 1.083 152 K HN 0.248 nan 8.250 nan 0.000 0.443 153 I N 1.055 121.492 120.570 -0.222 0.000 2.534 153 I HA 0.293 4.465 4.170 0.004 0.000 0.288 153 I C -0.193 175.776 176.117 -0.247 0.000 1.077 153 I CA -0.612 60.504 61.300 -0.308 0.000 1.051 153 I CB 2.334 39.943 38.000 -0.652 0.000 1.234 153 I HN 0.697 nan 8.210 nan 0.000 0.425 154 G N 6.634 115.340 108.800 -0.157 0.000 2.372 154 G HA2 0.706 4.669 3.960 0.004 0.000 0.323 154 G HA3 0.706 4.669 3.960 0.004 0.000 0.323 154 G C -0.814 173.981 174.900 -0.176 0.000 1.152 154 G CA -0.527 44.433 45.100 -0.233 0.000 0.906 154 G HN 0.470 nan 8.290 nan 0.000 0.460 155 L N 2.490 123.558 121.223 -0.258 0.000 2.283 155 L HA 0.393 4.735 4.340 0.004 0.000 0.281 155 L C -0.700 176.037 176.870 -0.221 0.000 1.033 155 L CA -0.628 54.108 54.840 -0.173 0.000 0.848 155 L CB 0.484 42.455 42.059 -0.147 0.000 1.226 155 L HN 0.317 nan 8.230 nan 0.000 0.429 156 F N 1.438 121.321 119.950 -0.111 0.000 2.412 156 F HA 0.688 5.217 4.527 0.004 0.000 0.348 156 F C 1.070 176.815 175.800 -0.092 0.000 1.102 156 F CA -0.156 57.775 58.000 -0.115 0.000 1.196 156 F CB 1.671 40.600 39.000 -0.119 0.000 1.144 156 F HN 0.435 nan 8.300 nan 0.000 0.541 157 G N 0.954 109.775 108.800 0.036 0.000 2.702 157 G HA2 0.493 4.456 3.960 0.004 0.000 0.296 157 G HA3 0.493 4.456 3.960 0.004 0.000 0.296 157 G C -0.625 174.184 174.900 -0.153 0.000 1.463 157 G CA -0.430 44.658 45.100 -0.019 0.000 0.890 157 G HN 0.923 nan 8.290 nan 0.000 0.534 158 G N -0.407 108.303 108.800 -0.150 0.000 2.611 158 G HA2 0.648 4.611 3.960 0.004 0.000 0.273 158 G HA3 0.648 4.611 3.960 0.004 0.000 0.273 158 G C 0.707 175.552 174.900 -0.092 0.000 1.305 158 G CA 0.403 45.357 45.100 -0.244 0.000 1.010 158 G HN 1.597 nan 8.290 nan 0.000 0.509 159 A N -1.409 121.418 122.820 0.011 0.000 2.440 159 A HA 0.536 4.858 4.320 0.004 0.000 0.251 159 A C 1.500 179.155 177.584 0.119 0.000 1.089 159 A CA 0.866 53.029 52.037 0.210 0.000 0.779 159 A CB -0.329 18.841 19.000 0.283 0.000 1.022 159 A HN 2.522 nan 8.150 nan 0.000 0.492 160 G N 0.879 109.755 108.800 0.126 0.000 2.283 160 G HA2 -0.182 3.781 3.960 0.004 0.000 0.280 160 G HA3 -0.182 3.781 3.960 0.004 0.000 0.280 160 G C 0.677 175.631 174.900 0.089 0.000 1.029 160 G CA 1.165 46.318 45.100 0.089 0.000 0.840 160 G HN 2.136 nan 8.290 nan 0.000 0.505 161 V N -4.079 115.894 119.914 0.097 0.000 3.471 161 V HA 0.657 4.779 4.120 0.004 0.000 0.258 161 V C 1.681 177.884 176.094 0.182 0.000 1.192 161 V CA 1.135 63.503 62.300 0.112 0.000 1.116 161 V CB 0.350 32.205 31.823 0.054 0.000 0.792 161 V HN 2.058 nan 8.190 nan 0.000 0.459 162 G N 0.280 109.180 108.800 0.167 0.000 2.215 162 G HA2 -0.134 3.828 3.960 0.004 0.000 0.187 162 G HA3 -0.134 3.828 3.960 0.004 0.000 0.187 162 G C 0.490 175.540 174.900 0.250 0.000 1.039 162 G CA 0.143 45.370 45.100 0.211 0.000 0.771 162 G HN 0.387 nan 8.290 nan 0.000 0.507 163 K N -0.022 120.491 120.400 0.188 0.000 1.991 163 K HA -0.072 4.250 4.320 0.004 0.000 0.212 163 K C 2.554 179.309 176.600 0.257 0.000 1.049 163 K CA 2.041 58.440 56.287 0.188 0.000 0.932 163 K CB -0.355 32.219 32.500 0.124 0.000 0.717 163 K HN 0.252 nan 8.250 nan 0.000 0.441 164 T N 1.286 115.969 114.554 0.214 0.000 2.720 164 T HA -0.119 4.233 4.350 0.004 0.000 0.268 164 T C 2.065 176.904 174.700 0.231 0.000 1.037 164 T CA 1.181 63.413 62.100 0.220 0.000 1.144 164 T CB -0.254 68.724 68.868 0.183 0.000 0.864 164 T HN -0.049 nan 8.240 nan 0.000 0.444 165 V N 0.711 120.760 119.914 0.225 0.000 2.343 165 V HA -0.121 4.001 4.120 0.004 0.000 0.247 165 V C 1.997 178.285 176.094 0.322 0.000 1.051 165 V CA 1.507 63.944 62.300 0.229 0.000 1.036 165 V CB -0.675 31.256 31.823 0.179 0.000 0.654 165 V HN 0.384 nan 8.190 nan 0.000 0.451 166 F N -0.099 120.022 119.950 0.286 0.000 2.095 166 F HA -0.231 4.297 4.527 0.003 0.000 0.298 166 F C 2.171 178.096 175.800 0.208 0.000 1.104 166 F CA 2.010 60.212 58.000 0.336 0.000 1.232 166 F CB -0.190 39.003 39.000 0.322 0.000 0.987 166 F HN 0.031 nan 8.300 nan 0.000 0.475 167 I N -0.363 120.471 120.570 0.440 0.000 2.394 167 I HA -0.314 3.858 4.170 0.004 0.000 0.251 167 I C 2.197 178.414 176.117 0.166 0.000 1.136 167 I CA 1.320 62.828 61.300 0.348 0.000 1.425 167 I CB -0.269 37.936 38.000 0.341 0.000 1.079 167 I HN 0.288 nan 8.210 nan 0.000 0.425 168 Q N -0.214 119.656 119.800 0.117 0.000 2.172 168 Q HA -0.258 4.085 4.340 0.004 0.000 0.200 168 Q C 1.948 177.909 176.000 -0.065 0.000 0.964 168 Q CA 1.307 57.110 55.803 0.001 0.000 0.855 168 Q CB 0.002 28.757 28.738 0.029 0.000 0.918 168 Q HN 0.374 nan 8.270 nan 0.000 0.444 169 E N 1.086 121.230 120.200 -0.093 0.000 2.077 169 E HA -0.155 4.197 4.350 0.004 0.000 0.193 169 E C 1.742 178.202 176.600 -0.233 0.000 0.989 169 E CA 1.058 57.286 56.400 -0.287 0.000 0.800 169 E CB -0.137 29.121 29.700 -0.737 0.000 0.746 169 E HN 0.271 nan 8.360 nan 0.000 0.452 170 L N -0.192 120.969 121.223 -0.103 0.000 2.109 170 L HA -0.075 4.267 4.340 0.004 0.000 0.207 170 L C 2.436 179.344 176.870 0.063 0.000 1.086 170 L CA 0.718 55.590 54.840 0.053 0.000 0.760 170 L CB -0.325 41.913 42.059 0.299 0.000 0.910 170 L HN 0.178 nan 8.230 nan 0.000 0.437 171 I N 0.157 120.654 120.570 -0.121 0.000 2.127 171 I HA -0.344 3.828 4.170 0.004 0.000 0.241 171 I C 2.372 178.407 176.117 -0.137 0.000 1.075 171 I CA 1.633 62.739 61.300 -0.322 0.000 1.334 171 I CB -0.334 37.353 38.000 -0.522 0.000 1.040 171 I HN 0.329 nan 8.210 nan 0.000 0.405 172 N N 0.884 119.509 118.700 -0.125 0.000 2.120 172 N HA -0.196 4.546 4.740 0.004 0.000 0.188 172 N C 1.587 177.052 175.510 -0.074 0.000 1.024 172 N CA 1.616 54.608 53.050 -0.096 0.000 0.852 172 N CB -0.109 38.314 38.487 -0.106 0.000 1.003 172 N HN 0.193 nan 8.380 nan 0.000 0.424 173 N N -0.527 118.122 118.700 -0.085 0.000 2.300 173 N HA 0.077 4.819 4.740 0.004 0.000 0.179 173 N C 1.321 176.827 175.510 -0.006 0.000 1.016 173 N CA 0.780 53.790 53.050 -0.067 0.000 0.876 173 N CB 0.203 38.621 38.487 -0.115 0.000 0.979 173 N HN 0.378 nan 8.380 nan 0.000 0.432 174 I N -0.752 119.842 120.570 0.040 0.000 3.565 174 I HA 0.151 4.323 4.170 0.004 0.000 0.287 174 I C 1.940 178.126 176.117 0.114 0.000 1.193 174 I CA 0.155 61.508 61.300 0.088 0.000 1.402 174 I CB -0.006 38.069 38.000 0.125 0.000 1.284 174 I HN -0.068 nan 8.210 nan 0.000 0.454 175 A N 1.442 124.336 122.820 0.123 0.000 1.865 175 A HA -0.232 4.091 4.320 0.004 0.000 0.217 175 A C 2.186 179.832 177.584 0.103 0.000 1.191 175 A CA 1.759 53.875 52.037 0.133 0.000 0.623 175 A CB -0.523 18.520 19.000 0.072 0.000 0.826 175 A HN 0.244 nan 8.150 nan 0.000 0.444 176 K N -0.436 119.992 120.400 0.045 0.000 2.013 176 K HA -0.197 4.126 4.320 0.004 0.000 0.225 176 K C 1.156 177.781 176.600 0.041 0.000 1.056 176 K CA 1.589 57.892 56.287 0.028 0.000 0.971 176 K CB -0.426 32.075 32.500 0.002 0.000 0.731 176 K HN 0.432 nan 8.250 nan 0.000 0.450 177 A N 1.158 124.005 122.820 0.046 0.000 3.175 177 A HA 0.127 4.449 4.320 0.004 0.000 0.289 177 A C 0.287 177.922 177.584 0.084 0.000 1.429 177 A CA -0.232 51.828 52.037 0.038 0.000 1.155 177 A CB -0.288 18.722 19.000 0.017 0.000 1.169 177 A HN 0.460 nan 8.150 nan 0.000 0.574 178 H N 0.154 119.217 119.070 -0.012 0.000 2.501 178 H HA 0.349 4.907 4.556 0.004 0.000 0.281 178 H C 1.557 176.853 175.328 -0.053 0.000 0.988 178 H CA 1.790 57.829 56.048 -0.016 0.000 1.232 178 H CB 0.522 30.288 29.762 0.007 0.000 1.455 178 H HN 0.828 nan 8.280 nan 0.000 0.501 179 G N -0.303 108.319 108.800 -0.297 0.000 2.336 179 G HA2 -0.231 3.731 3.960 0.004 0.000 0.233 179 G HA3 -0.231 3.731 3.960 0.004 0.000 0.233 179 G C 0.930 175.520 174.900 -0.516 0.000 1.053 179 G CA 0.467 45.344 45.100 -0.372 0.000 0.625 179 G HN 0.862 nan 8.290 nan 0.000 0.511 180 G N -0.346 107.998 108.800 -0.761 0.000 2.535 180 G HA2 0.628 4.591 3.960 0.004 0.000 0.303 180 G HA3 0.628 4.591 3.960 0.004 0.000 0.303 180 G C -0.135 174.623 174.900 -0.236 0.000 1.237 180 G CA -0.674 44.125 45.100 -0.502 0.000 0.986 180 G HN 0.306 nan 8.290 nan 0.000 0.494 181 F N -0.337 119.635 119.950 0.037 0.000 2.380 181 F HA 0.519 5.049 4.527 0.004 0.000 0.325 181 F C 0.995 176.759 175.800 -0.059 0.000 1.136 181 F CA -0.243 57.691 58.000 -0.109 0.000 1.171 181 F CB 1.387 40.093 39.000 -0.491 0.000 1.230 181 F HN 0.173 nan 8.300 nan 0.000 0.554 182 S N 0.250 116.031 115.700 0.135 0.000 2.566 182 S HA 0.783 5.256 4.470 0.004 0.000 0.298 182 S C -1.112 173.523 174.600 0.057 0.000 1.083 182 S CA -0.786 57.490 58.200 0.127 0.000 0.978 182 S CB 2.141 65.484 63.200 0.239 0.000 1.073 182 S HN 0.298 nan 8.310 nan 0.000 0.491 183 V N 2.705 122.674 119.914 0.092 0.000 2.531 183 V HA 0.489 4.611 4.120 0.004 0.000 0.301 183 V C -1.250 174.940 176.094 0.160 0.000 1.034 183 V CA -0.656 61.686 62.300 0.069 0.000 0.865 183 V CB 1.273 33.098 31.823 0.004 0.000 0.995 183 V HN 0.839 nan 8.190 nan 0.000 0.424 184 F N 3.585 123.527 119.950 -0.014 0.000 2.411 184 F HA 0.673 5.202 4.527 0.003 0.000 0.352 184 F C 0.366 176.039 175.800 -0.213 0.000 1.123 184 F CA -0.009 57.966 58.000 -0.042 0.000 1.044 184 F CB 1.615 40.569 39.000 -0.077 0.000 1.135 184 F HN 0.500 nan 8.300 nan 0.000 0.461 185 T N 4.718 118.967 114.554 -0.509 0.000 2.791 185 T HA 0.482 4.835 4.350 0.004 0.000 0.288 185 T C 0.157 174.572 174.700 -0.476 0.000 0.999 185 T CA -0.666 61.188 62.100 -0.411 0.000 0.952 185 T CB 1.192 69.893 68.868 -0.277 0.000 0.938 185 T HN 0.859 nan 8.240 nan 0.000 0.444 186 G N 1.976 110.617 108.800 -0.265 0.000 2.338 186 G HA2 0.511 4.474 3.960 0.004 0.000 0.295 186 G HA3 0.511 4.474 3.960 0.004 0.000 0.295 186 G C -0.513 174.450 174.900 0.105 0.000 1.132 186 G CA -0.416 44.765 45.100 0.135 0.000 0.922 186 G HN 0.675 nan 8.290 nan 0.000 0.427 187 V N 2.611 122.558 119.914 0.055 0.000 2.350 187 V HA 0.608 4.730 4.120 0.004 0.000 0.285 187 V C 1.087 177.226 176.094 0.076 0.000 1.014 187 V CA 0.186 62.516 62.300 0.051 0.000 0.831 187 V CB 0.850 32.678 31.823 0.008 0.000 1.000 187 V HN 1.372 nan 8.190 nan 0.000 0.433 188 G N 3.244 112.091 108.800 0.079 0.000 2.283 188 G HA2 -0.193 3.769 3.960 0.004 0.000 0.280 188 G HA3 -0.193 3.769 3.960 0.004 0.000 0.280 188 G C 0.132 175.071 174.900 0.065 0.000 1.029 188 G CA 0.523 45.657 45.100 0.057 0.000 0.840 188 G HN 0.608 nan 8.290 nan 0.000 0.505 189 E N -0.889 119.373 120.200 0.103 0.000 2.469 189 E HA 0.429 4.782 4.350 0.004 0.000 0.246 189 E C 0.718 177.372 176.600 0.090 0.000 0.969 189 E CA -1.084 55.379 56.400 0.105 0.000 0.881 189 E CB 0.779 30.573 29.700 0.157 0.000 1.320 189 E HN 0.353 nan 8.360 nan 0.000 0.421 190 R N 0.414 120.962 120.500 0.080 0.000 2.421 190 R HA 0.097 4.439 4.340 0.004 0.000 0.305 190 R C 1.180 177.485 176.300 0.009 0.000 1.039 190 R CA 0.147 56.272 56.100 0.042 0.000 1.003 190 R CB 0.177 30.502 30.300 0.042 0.000 0.959 190 R HN 0.438 nan 8.270 nan 0.000 0.427 191 T N 2.549 117.089 114.554 -0.024 0.000 2.720 191 T HA -0.230 4.123 4.350 0.004 0.000 0.268 191 T C 1.815 176.444 174.700 -0.118 0.000 1.037 191 T CA 1.519 63.563 62.100 -0.093 0.000 1.144 191 T CB -0.159 68.665 68.868 -0.075 0.000 0.864 191 T HN 0.581 nan 8.240 nan 0.000 0.444 192 R N 1.130 121.595 120.500 -0.059 0.000 2.113 192 R HA -0.201 4.141 4.340 0.004 0.000 0.244 192 R C 2.162 178.435 176.300 -0.046 0.000 1.142 192 R CA 2.095 58.169 56.100 -0.044 0.000 0.953 192 R CB -0.249 30.045 30.300 -0.010 0.000 0.860 192 R HN 0.508 nan 8.270 nan 0.000 0.438 193 E N -0.866 119.322 120.200 -0.020 0.000 2.110 193 E HA -0.128 4.225 4.350 0.004 0.000 0.193 193 E C 1.886 178.460 176.600 -0.043 0.000 0.988 193 E CA 1.002 57.406 56.400 0.008 0.000 0.804 193 E CB -0.230 29.517 29.700 0.079 0.000 0.745 193 E HN 0.631 nan 8.360 nan 0.000 0.458 194 G N 2.037 110.739 108.800 -0.165 0.000 2.587 194 G HA2 -0.391 3.572 3.960 0.004 0.000 0.217 194 G HA3 -0.391 3.572 3.960 0.004 0.000 0.217 194 G C 1.383 176.088 174.900 -0.325 0.000 1.240 194 G CA 0.988 45.777 45.100 -0.519 0.000 0.794 194 G HN 0.233 nan 8.290 nan 0.000 0.580 195 N N 1.192 119.735 118.700 -0.261 0.000 2.073 195 N HA -0.215 4.528 4.740 0.004 0.000 0.199 195 N C 1.773 177.276 175.510 -0.013 0.000 1.023 195 N CA 2.204 55.201 53.050 -0.089 0.000 0.880 195 N CB -0.537 37.906 38.487 -0.074 0.000 1.052 195 N HN 0.186 nan 8.380 nan 0.000 0.449 196 D N 0.276 120.656 120.400 -0.034 0.000 2.123 196 D HA -0.135 4.507 4.640 0.004 0.000 0.196 196 D C 1.969 178.254 176.300 -0.024 0.000 0.992 196 D CA 0.523 54.512 54.000 -0.018 0.000 0.833 196 D CB -0.335 40.460 40.800 -0.008 0.000 0.954 196 D HN 0.277 nan 8.370 nan 0.000 0.455 197 L N -0.389 120.810 121.223 -0.040 0.000 2.072 197 L HA -0.122 4.220 4.340 0.004 0.000 0.205 197 L C 2.096 178.968 176.870 0.004 0.000 1.079 197 L CA 1.270 56.064 54.840 -0.076 0.000 0.752 197 L CB -0.753 41.182 42.059 -0.206 0.000 0.906 197 L HN 0.031 nan 8.230 nan 0.000 0.436 198 Y N 0.781 121.033 120.300 -0.081 0.000 2.081 198 Y HA -0.338 4.214 4.550 0.004 0.000 0.280 198 Y C 2.920 178.793 175.900 -0.046 0.000 1.163 198 Y CA 2.317 60.392 58.100 -0.041 0.000 1.135 198 Y CB -0.491 37.948 38.460 -0.035 0.000 0.970 198 Y HN 0.216 nan 8.280 nan 0.000 0.498 199 R N 0.017 120.467 120.500 -0.083 0.000 2.091 199 R HA -0.250 4.093 4.340 0.004 0.000 0.238 199 R C 2.207 178.423 176.300 -0.140 0.000 1.136 199 R CA 1.997 58.000 56.100 -0.161 0.000 0.959 199 R CB -0.348 29.905 30.300 -0.078 0.000 0.856 199 R HN 0.361 nan 8.270 nan 0.000 0.437 200 E N 0.152 120.296 120.200 -0.095 0.000 2.077 200 E HA -0.164 4.188 4.350 0.004 0.000 0.193 200 E C 1.924 178.466 176.600 -0.096 0.000 0.989 200 E CA 1.638 57.986 56.400 -0.087 0.000 0.800 200 E CB 0.003 29.655 29.700 -0.079 0.000 0.746 200 E HN 0.283 nan 8.360 nan 0.000 0.452 201 M N 0.030 119.569 119.600 -0.101 0.000 2.159 201 M HA -0.112 4.370 4.480 0.004 0.000 0.263 201 M C 2.018 178.257 176.300 -0.102 0.000 1.063 201 M CA 1.465 56.715 55.300 -0.083 0.000 1.110 201 M CB -0.652 31.928 32.600 -0.034 0.000 1.374 201 M HN 0.014 nan 8.290 nan 0.000 0.411 202 K N 0.651 120.947 120.400 -0.172 0.000 2.025 202 K HA -0.114 4.209 4.320 0.004 0.000 0.207 202 K C 1.849 178.383 176.600 -0.110 0.000 1.049 202 K CA 1.197 57.383 56.287 -0.168 0.000 0.933 202 K CB -0.104 32.239 32.500 -0.262 0.000 0.714 202 K HN 0.353 nan 8.250 nan 0.000 0.438 203 E N -0.272 119.865 120.200 -0.106 0.000 2.418 203 E HA -0.090 4.262 4.350 0.004 0.000 0.197 203 E C 1.245 177.809 176.600 -0.060 0.000 1.026 203 E CA 1.321 57.675 56.400 -0.076 0.000 0.862 203 E CB 0.217 29.874 29.700 -0.072 0.000 0.799 203 E HN 0.445 nan 8.360 nan 0.000 0.518 204 T N -4.815 109.703 114.554 -0.060 0.000 2.990 204 T HA 0.282 4.634 4.350 0.004 0.000 0.250 204 T C 1.487 176.165 174.700 -0.037 0.000 1.041 204 T CA 0.271 62.343 62.100 -0.047 0.000 1.010 204 T CB 0.943 69.781 68.868 -0.049 0.000 1.003 204 T HN 0.155 nan 8.240 nan 0.000 0.499 205 G N 0.861 109.637 108.800 -0.040 0.000 2.141 205 G HA2 -0.282 3.680 3.960 0.004 0.000 0.231 205 G HA3 -0.282 3.680 3.960 0.004 0.000 0.231 205 G C 0.800 175.693 174.900 -0.012 0.000 0.984 205 G CA 0.150 45.234 45.100 -0.026 0.000 0.660 205 G HN 0.541 nan 8.290 nan 0.000 0.525 206 V N -0.062 119.844 119.914 -0.014 0.000 2.427 206 V HA 0.179 4.301 4.120 0.004 0.000 0.248 206 V C 1.650 177.758 176.094 0.024 0.000 1.051 206 V CA 1.685 63.990 62.300 0.008 0.000 1.048 206 V CB -0.161 31.662 31.823 -0.001 0.000 0.666 206 V HN 0.498 nan 8.190 nan 0.000 0.456 207 I N 0.746 121.320 120.570 0.007 0.000 2.377 207 I HA 0.332 4.505 4.170 0.004 0.000 0.293 207 I C -0.443 175.671 176.117 -0.005 0.000 0.987 207 I CA -0.151 61.161 61.300 0.021 0.000 1.185 207 I CB 1.522 39.544 38.000 0.036 0.000 1.341 207 I HN 0.120 nan 8.210 nan 0.000 0.455 208 N N 4.834 123.543 118.700 0.014 0.000 2.407 208 N HA 0.384 5.126 4.740 0.004 0.000 0.277 208 N C 0.701 176.220 175.510 0.014 0.000 0.995 208 N CA -0.509 52.542 53.050 0.002 0.000 0.903 208 N CB 1.603 40.096 38.487 0.009 0.000 1.218 208 N HN 0.518 nan 8.380 nan 0.000 0.487 209 L N 1.481 122.704 121.223 -0.001 0.000 2.191 209 L HA -0.056 4.286 4.340 0.004 0.000 0.212 209 L C 1.041 177.923 176.870 0.021 0.000 1.103 209 L CA 1.229 56.079 54.840 0.017 0.000 0.769 209 L CB 0.002 42.062 42.059 0.002 0.000 0.908 209 L HN 0.612 nan 8.230 nan 0.000 0.438 210 E N -1.144 119.063 120.200 0.013 0.000 2.758 210 E HA 0.232 4.584 4.350 0.004 0.000 0.215 210 E C 0.395 177.005 176.600 0.017 0.000 0.985 210 E CA 0.069 56.478 56.400 0.014 0.000 1.102 210 E CB 0.787 30.492 29.700 0.008 0.000 1.042 210 E HN 0.278 nan 8.360 nan 0.000 0.480 211 G N -0.825 107.988 108.800 0.022 0.000 3.187 211 G HA2 0.247 4.209 3.960 0.004 0.000 0.175 211 G HA3 0.247 4.209 3.960 0.004 0.000 0.175 211 G C -0.824 174.099 174.900 0.039 0.000 1.112 211 G CA -0.613 44.502 45.100 0.026 0.000 0.821 211 G HN -0.006 nan 8.290 nan 0.000 0.636 212 E N 0.520 120.747 120.200 0.045 0.000 2.277 212 E HA 0.570 4.922 4.350 0.004 0.000 0.274 212 E C -0.764 175.880 176.600 0.074 0.000 1.022 212 E CA -0.092 56.349 56.400 0.068 0.000 0.853 212 E CB 1.734 31.477 29.700 0.072 0.000 1.086 212 E HN 0.190 nan 8.360 nan 0.000 0.397 213 S N 1.485 117.246 115.700 0.101 0.000 2.536 213 S HA 0.297 4.769 4.470 0.004 0.000 0.298 213 S C 0.660 175.359 174.600 0.165 0.000 1.083 213 S CA -0.784 57.479 58.200 0.105 0.000 0.995 213 S CB 1.960 65.214 63.200 0.089 0.000 1.058 213 S HN 0.349 nan 8.310 nan 0.000 0.488 214 K N 0.548 121.035 120.400 0.144 0.000 2.354 214 K HA 0.293 4.615 4.320 0.004 0.000 0.194 214 K C -0.249 176.464 176.600 0.189 0.000 1.038 214 K CA 0.315 56.718 56.287 0.193 0.000 1.052 214 K CB 0.803 33.368 32.500 0.108 0.000 0.861 214 K HN 0.362 nan 8.250 nan 0.000 0.535 215 V N 0.635 120.619 119.914 0.116 0.000 2.760 215 V HA 0.583 4.705 4.120 0.004 0.000 0.309 215 V C -1.598 174.524 176.094 0.046 0.000 1.077 215 V CA -0.822 61.524 62.300 0.077 0.000 0.910 215 V CB 1.761 33.634 31.823 0.084 0.000 1.008 215 V HN 0.141 nan 8.190 nan 0.000 0.424 216 A N 6.823 129.646 122.820 0.004 0.000 2.304 216 A HA 0.881 5.203 4.320 0.004 0.000 0.301 216 A C -0.948 176.653 177.584 0.028 0.000 1.132 216 A CA -0.552 51.494 52.037 0.014 0.000 0.819 216 A CB 0.769 19.768 19.000 -0.003 0.000 1.094 216 A HN 0.876 nan 8.150 nan 0.000 0.492 217 L N 2.244 123.476 121.223 0.016 0.000 2.362 217 L HA 0.612 4.954 4.340 0.004 0.000 0.275 217 L C -1.105 175.690 176.870 -0.125 0.000 0.998 217 L CA -0.805 54.006 54.840 -0.048 0.000 0.820 217 L CB 2.033 44.126 42.059 0.056 0.000 1.270 217 L HN 0.424 nan 8.230 nan 0.000 0.415 218 V N 3.226 122.948 119.914 -0.320 0.000 2.577 218 V HA 0.517 4.639 4.120 0.004 0.000 0.303 218 V C -1.051 174.764 176.094 -0.464 0.000 1.042 218 V CA -0.460 61.691 62.300 -0.248 0.000 0.872 218 V CB 2.049 33.782 31.823 -0.151 0.000 0.998 218 V HN 0.391 nan 8.190 nan 0.000 0.423 219 F N 1.974 121.945 119.950 0.035 0.000 2.529 219 F HA 0.797 5.326 4.527 0.004 0.000 0.320 219 F C 0.606 176.418 175.800 0.021 0.000 1.118 219 F CA -0.716 57.308 58.000 0.041 0.000 0.915 219 F CB 2.627 41.645 39.000 0.030 0.000 1.161 219 F HN 0.541 nan 8.300 nan 0.000 0.445 220 G N 3.592 112.535 108.800 0.239 0.000 3.703 220 G HA2 0.341 4.304 3.960 0.004 0.000 0.311 220 G HA3 0.341 4.304 3.960 0.004 0.000 0.311 220 G C -0.887 174.097 174.900 0.140 0.000 1.430 220 G CA -0.498 44.685 45.100 0.138 0.000 0.785 220 G HN 0.287 nan 8.290 nan 0.000 0.491 221 Q N 0.902 120.787 119.800 0.141 0.000 2.308 221 Q HA 0.244 4.586 4.340 0.004 0.000 0.207 221 Q C 1.922 177.958 176.000 0.061 0.000 1.035 221 Q CA -0.667 55.203 55.803 0.111 0.000 1.008 221 Q CB 0.814 29.598 28.738 0.077 0.000 1.168 221 Q HN 0.727 nan 8.270 nan 0.000 0.565 222 M N -0.285 119.342 119.600 0.046 0.000 2.776 222 M HA -0.007 4.475 4.480 0.004 0.000 0.233 222 M C 0.651 176.960 176.300 0.015 0.000 1.078 222 M CA 0.956 56.271 55.300 0.024 0.000 1.058 222 M CB -0.397 32.213 32.600 0.016 0.000 1.611 222 M HN 0.373 nan 8.290 nan 0.000 0.541 223 N N 0.155 118.865 118.700 0.017 0.000 2.356 223 N HA 0.057 4.800 4.740 0.004 0.000 0.178 223 N C -0.055 175.462 175.510 0.012 0.000 1.075 223 N CA 0.149 53.205 53.050 0.010 0.000 0.889 223 N CB 0.066 38.555 38.487 0.004 0.000 0.999 223 N HN 0.436 nan 8.380 nan 0.000 0.464 224 E N 1.519 121.731 120.200 0.019 0.000 2.349 224 E HA 0.344 4.697 4.350 0.004 0.000 0.262 224 E C -2.208 174.400 176.600 0.013 0.000 1.088 224 E CA -1.692 54.719 56.400 0.019 0.000 0.899 224 E CB 0.587 30.305 29.700 0.030 0.000 1.044 224 E HN 0.179 nan 8.360 nan 0.000 0.420 225 P HA 0.012 nan 4.420 nan 0.000 0.271 225 P C -1.848 175.456 177.300 0.006 0.000 1.233 225 P CA -0.836 62.269 63.100 0.007 0.000 0.789 225 P CB 0.017 31.723 31.700 0.009 0.000 0.951 226 P HA -0.178 nan 4.420 nan 0.000 0.216 226 P C 1.508 178.809 177.300 0.001 0.000 1.150 226 P CA 1.919 65.012 63.100 -0.011 0.000 0.837 226 P CB -0.587 31.100 31.700 -0.022 0.000 0.786 227 G N 0.757 109.564 108.800 0.012 0.000 2.476 227 G HA2 -0.292 3.670 3.960 0.004 0.000 0.218 227 G HA3 -0.292 3.670 3.960 0.004 0.000 0.218 227 G C 1.843 176.765 174.900 0.036 0.000 1.164 227 G CA 1.391 46.507 45.100 0.027 0.000 0.768 227 G HN 0.378 nan 8.290 nan 0.000 0.560 228 A N 0.507 123.345 122.820 0.031 0.000 1.902 228 A HA -0.010 4.312 4.320 0.004 0.000 0.217 228 A C 2.451 180.059 177.584 0.040 0.000 1.181 228 A CA 1.709 53.766 52.037 0.034 0.000 0.623 228 A CB -0.388 18.631 19.000 0.031 0.000 0.818 228 A HN 0.360 nan 8.150 nan 0.000 0.443 229 R N -0.820 119.701 120.500 0.035 0.000 2.115 229 R HA 0.023 4.365 4.340 0.004 0.000 0.226 229 R C 2.295 178.640 176.300 0.075 0.000 1.100 229 R CA 0.935 57.060 56.100 0.041 0.000 0.980 229 R CB -0.317 29.991 30.300 0.015 0.000 0.875 229 R HN 0.507 nan 8.270 nan 0.000 0.445 230 A N 0.557 123.417 122.820 0.067 0.000 2.119 230 A HA -0.057 4.265 4.320 0.004 0.000 0.217 230 A C 1.796 179.519 177.584 0.232 0.000 1.153 230 A CA 0.977 53.090 52.037 0.126 0.000 0.692 230 A CB 0.037 19.057 19.000 0.032 0.000 0.799 230 A HN 0.060 nan 8.150 nan 0.000 0.458 231 R N -1.769 118.801 120.500 0.118 0.000 2.250 231 R HA 0.137 4.479 4.340 0.004 0.000 0.194 231 R C 1.828 178.121 176.300 -0.011 0.000 0.927 231 R CA 0.821 56.953 56.100 0.053 0.000 1.052 231 R CB -1.162 29.159 30.300 0.035 0.000 1.055 231 R HN 0.330 nan 8.270 nan 0.000 0.537 232 V N 1.821 121.740 119.914 0.008 0.000 2.546 232 V HA -0.225 3.898 4.120 0.004 0.000 0.254 232 V C 2.113 178.162 176.094 -0.076 0.000 1.076 232 V CA 2.060 64.346 62.300 -0.023 0.000 1.087 232 V CB -0.402 31.425 31.823 0.007 0.000 0.674 232 V HN 0.311 nan 8.190 nan 0.000 0.470 233 A N -0.638 122.119 122.820 -0.104 0.000 1.968 233 A HA -0.055 4.267 4.320 0.004 0.000 0.217 233 A C 2.073 179.531 177.584 -0.210 0.000 1.169 233 A CA 1.590 53.514 52.037 -0.189 0.000 0.638 233 A CB -0.365 18.462 19.000 -0.289 0.000 0.812 233 A HN 0.573 nan 8.150 nan 0.000 0.446 234 L N -0.932 120.166 121.223 -0.209 0.000 2.093 234 L HA -0.127 4.215 4.340 0.004 0.000 0.208 234 L C 2.722 179.497 176.870 -0.158 0.000 1.085 234 L CA 1.591 56.300 54.840 -0.218 0.000 0.755 234 L CB -1.245 40.636 42.059 -0.297 0.000 0.904 234 L HN 0.291 nan 8.230 nan 0.000 0.435 235 T N 0.262 114.740 114.554 -0.127 0.000 2.622 235 T HA -0.177 4.175 4.350 0.004 0.000 0.266 235 T C 1.897 176.552 174.700 -0.075 0.000 1.047 235 T CA 1.703 63.751 62.100 -0.087 0.000 1.159 235 T CB -0.730 68.099 68.868 -0.065 0.000 0.863 235 T HN 0.560 nan 8.240 nan 0.000 0.422 236 G N 1.264 110.009 108.800 -0.091 0.000 2.442 236 G HA2 -0.172 3.790 3.960 0.004 0.000 0.219 236 G HA3 -0.172 3.790 3.960 0.004 0.000 0.219 236 G C 1.531 176.391 174.900 -0.067 0.000 1.141 236 G CA 0.870 45.919 45.100 -0.086 0.000 0.763 236 G HN 0.380 nan 8.290 nan 0.000 0.554 237 L N 0.963 122.128 121.223 -0.096 0.000 2.005 237 L HA 0.020 4.363 4.340 0.004 0.000 0.207 237 L C 2.924 179.774 176.870 -0.032 0.000 1.072 237 L CA 2.578 57.367 54.840 -0.085 0.000 0.744 237 L CB -1.202 40.775 42.059 -0.136 0.000 0.895 237 L HN 0.186 nan 8.230 nan 0.000 0.433 238 T N 0.186 114.716 114.554 -0.040 0.000 2.699 238 T HA -0.236 4.116 4.350 0.004 0.000 0.268 238 T C 2.006 176.736 174.700 0.050 0.000 1.036 238 T CA 2.217 64.313 62.100 -0.006 0.000 1.147 238 T CB -0.411 68.438 68.868 -0.032 0.000 0.862 238 T HN 0.331 nan 8.240 nan 0.000 0.446 239 I N 1.106 121.710 120.570 0.057 0.000 2.163 239 I HA -0.224 3.948 4.170 0.004 0.000 0.243 239 I C 2.847 179.168 176.117 0.339 0.000 1.085 239 I CA 1.266 62.656 61.300 0.149 0.000 1.347 239 I CB -0.422 37.660 38.000 0.137 0.000 1.044 239 I HN 0.208 nan 8.210 nan 0.000 0.408 240 A N 0.017 122.975 122.820 0.230 0.000 1.933 240 A HA -0.218 4.104 4.320 0.004 0.000 0.218 240 A C 2.205 179.936 177.584 0.245 0.000 1.175 240 A CA 1.592 53.778 52.037 0.248 0.000 0.628 240 A CB -0.532 18.517 19.000 0.080 0.000 0.814 240 A HN 0.450 nan 8.150 nan 0.000 0.444 241 E N -1.784 118.506 120.200 0.149 0.000 2.106 241 E HA -0.180 4.172 4.350 0.004 0.000 0.192 241 E C 1.762 178.421 176.600 0.098 0.000 0.984 241 E CA 1.147 57.604 56.400 0.094 0.000 0.806 241 E CB -0.263 29.464 29.700 0.044 0.000 0.750 241 E HN 0.778 nan 8.360 nan 0.000 0.458 242 Y N 0.670 120.960 120.300 -0.016 0.000 2.049 242 Y HA -0.313 4.239 4.550 0.004 0.000 0.277 242 Y C 1.929 177.754 175.900 -0.124 0.000 1.143 242 Y CA 1.888 59.906 58.100 -0.137 0.000 1.115 242 Y CB -0.470 37.804 38.460 -0.309 0.000 0.975 242 Y HN -0.047 nan 8.280 nan 0.000 0.487 243 F N 0.171 120.241 119.950 0.199 0.000 2.087 243 F HA -0.316 4.214 4.527 0.004 0.000 0.299 243 F C 2.775 178.628 175.800 0.088 0.000 1.100 243 F CA 2.219 60.317 58.000 0.164 0.000 1.226 243 F CB -0.834 38.297 39.000 0.219 0.000 0.983 243 F HN 0.009 nan 8.300 nan 0.000 0.479 244 R N 0.483 121.122 120.500 0.231 0.000 2.070 244 R HA -0.166 4.176 4.340 0.004 0.000 0.232 244 R C 1.869 178.181 176.300 0.020 0.000 1.138 244 R CA 2.198 58.364 56.100 0.112 0.000 0.936 244 R CB -0.501 29.846 30.300 0.077 0.000 0.839 244 R HN 0.200 nan 8.270 nan 0.000 0.429 245 D N -0.140 120.234 120.400 -0.043 0.000 2.110 245 D HA -0.096 4.546 4.640 0.004 0.000 0.202 245 D C 1.979 178.169 176.300 -0.183 0.000 0.975 245 D CA 1.028 54.968 54.000 -0.102 0.000 0.839 245 D CB 0.021 40.759 40.800 -0.103 0.000 0.996 245 D HN 0.262 nan 8.370 nan 0.000 0.464 246 E N 0.785 120.764 120.200 -0.369 0.000 2.086 246 E HA -0.017 4.335 4.350 0.004 0.000 0.190 246 E C 1.623 178.049 176.600 -0.289 0.000 0.975 246 E CA 0.542 56.653 56.400 -0.482 0.000 0.813 246 E CB -0.062 28.978 29.700 -1.100 0.000 0.768 246 E HN 0.434 nan 8.360 nan 0.000 0.457 247 E N -0.003 120.075 120.200 -0.204 0.000 2.474 247 E HA 0.125 4.478 4.350 0.004 0.000 0.195 247 E C 0.594 177.236 176.600 0.070 0.000 1.039 247 E CA 0.308 56.711 56.400 0.005 0.000 0.881 247 E CB 0.478 30.273 29.700 0.158 0.000 0.970 247 E HN 0.278 nan 8.360 nan 0.000 0.486 248 G N 2.312 111.128 108.800 0.026 0.000 2.233 248 G HA2 -0.276 3.686 3.960 0.004 0.000 0.270 248 G HA3 -0.276 3.686 3.960 0.004 0.000 0.270 248 G C 0.336 175.282 174.900 0.078 0.000 1.011 248 G CA 0.385 45.506 45.100 0.036 0.000 0.762 248 G HN 0.130 nan 8.290 nan 0.000 0.511 249 Q N 0.050 119.943 119.800 0.154 0.000 2.317 249 Q HA 0.314 4.657 4.340 0.004 0.000 0.229 249 Q C -0.245 175.836 176.000 0.135 0.000 0.984 249 Q CA -0.209 55.697 55.803 0.171 0.000 0.911 249 Q CB 0.638 29.585 28.738 0.347 0.000 1.217 249 Q HN 0.312 nan 8.270 nan 0.000 0.501 250 D N 1.084 121.550 120.400 0.110 0.000 2.468 250 D HA 0.191 4.833 4.640 0.004 0.000 0.218 250 D C -0.573 175.863 176.300 0.227 0.000 1.155 250 D CA -0.100 53.988 54.000 0.146 0.000 0.924 250 D CB 0.494 41.388 40.800 0.156 0.000 1.029 250 D HN 0.045 nan 8.370 nan 0.000 0.515 251 V N 2.857 122.852 119.914 0.134 0.000 2.583 251 V HA 0.212 4.335 4.120 0.004 0.000 0.287 251 V C 0.623 176.691 176.094 -0.042 0.000 1.051 251 V CA -0.605 61.752 62.300 0.094 0.000 1.010 251 V CB 1.268 33.150 31.823 0.099 0.000 0.988 251 V HN 0.344 nan 8.190 nan 0.000 0.478 252 L N 5.599 126.767 121.223 -0.091 0.000 2.265 252 L HA 0.478 4.820 4.340 0.004 0.000 0.289 252 L C -0.629 176.139 176.870 -0.170 0.000 1.033 252 L CA -0.455 54.245 54.840 -0.235 0.000 0.814 252 L CB 1.394 43.323 42.059 -0.217 0.000 1.203 252 L HN 0.486 nan 8.230 nan 0.000 0.423 253 L N 4.837 125.881 121.223 -0.297 0.000 2.324 253 L HA 0.505 4.847 4.340 0.004 0.000 0.274 253 L C -0.986 175.677 176.870 -0.345 0.000 1.012 253 L CA 0.130 54.845 54.840 -0.208 0.000 0.859 253 L CB 0.479 42.445 42.059 -0.155 0.000 1.224 253 L HN 0.172 nan 8.230 nan 0.000 0.429 254 F N 5.607 125.471 119.950 -0.143 0.000 2.404 254 F HA 0.534 5.063 4.527 0.003 0.000 0.345 254 F C 0.278 175.797 175.800 -0.468 0.000 1.110 254 F CA -0.231 57.635 58.000 -0.224 0.000 1.130 254 F CB 0.952 39.909 39.000 -0.070 0.000 1.129 254 F HN 0.248 nan 8.300 nan 0.000 0.500 255 I N 2.760 123.170 120.570 -0.267 0.000 2.466 255 I HA 0.317 4.490 4.170 0.004 0.000 0.289 255 I C -1.302 174.640 176.117 -0.291 0.000 1.026 255 I CA -0.635 60.446 61.300 -0.365 0.000 1.078 255 I CB 2.069 39.914 38.000 -0.259 0.000 1.249 255 I HN 0.430 nan 8.210 nan 0.000 0.429 256 D N 5.764 125.961 120.400 -0.339 0.000 2.602 256 D HA 0.269 4.911 4.640 0.004 0.000 0.245 256 D C -1.508 174.786 176.300 -0.011 0.000 1.325 256 D CA -0.341 53.604 54.000 -0.093 0.000 0.952 256 D CB 1.293 42.121 40.800 0.047 0.000 1.317 256 D HN 0.388 nan 8.370 nan 0.000 0.577 257 N N 4.396 123.116 118.700 0.033 0.000 2.346 257 N HA 0.246 4.988 4.740 0.004 0.000 0.289 257 N C 0.592 176.136 175.510 0.056 0.000 1.027 257 N CA -0.516 52.567 53.050 0.054 0.000 0.864 257 N CB 1.758 40.327 38.487 0.135 0.000 1.370 257 N HN 0.552 nan 8.380 nan 0.000 0.481 258 I N 3.188 123.766 120.570 0.014 0.000 2.493 258 I HA -0.170 4.002 4.170 0.004 0.000 0.254 258 I C 1.690 177.879 176.117 0.120 0.000 1.160 258 I CA 0.684 61.995 61.300 0.019 0.000 1.445 258 I CB -0.067 37.889 38.000 -0.072 0.000 1.086 258 I HN 0.555 nan 8.210 nan 0.000 0.433 259 F N 2.143 122.111 119.950 0.031 0.000 2.115 259 F HA -0.291 4.238 4.527 0.005 0.000 0.300 259 F C 2.417 178.276 175.800 0.098 0.000 1.092 259 F CA 1.686 59.735 58.000 0.082 0.000 1.245 259 F CB -0.421 38.669 39.000 0.150 0.000 0.995 259 F HN -0.021 nan 8.300 nan 0.000 0.481 260 R N -0.115 120.307 120.500 -0.131 0.000 2.193 260 R HA -0.197 4.146 4.340 0.004 0.000 0.229 260 R C 2.194 178.384 176.300 -0.183 0.000 1.110 260 R CA 1.396 57.357 56.100 -0.232 0.000 0.988 260 R CB -1.592 28.700 30.300 -0.015 0.000 0.871 260 R HN 0.530 nan 8.270 nan 0.000 0.458 261 F N 1.454 121.282 119.950 -0.203 0.000 2.186 261 F HA -0.113 4.416 4.527 0.004 0.000 0.299 261 F C 1.903 177.602 175.800 -0.168 0.000 1.090 261 F CA 1.348 59.256 58.000 -0.153 0.000 1.307 261 F CB -0.233 38.694 39.000 -0.122 0.000 1.019 261 F HN -0.181 nan 8.300 nan 0.000 0.489 262 T N 0.136 114.357 114.554 -0.556 0.000 2.851 262 T HA -0.163 4.189 4.350 0.004 0.000 0.262 262 T C 1.899 176.342 174.700 -0.427 0.000 1.043 262 T CA 1.302 63.048 62.100 -0.591 0.000 1.140 262 T CB -0.293 68.374 68.868 -0.334 0.000 0.872 262 T HN 0.421 nan 8.240 nan 0.000 0.446 263 Q N 0.675 120.149 119.800 -0.542 0.000 2.096 263 Q HA -0.141 4.201 4.340 0.004 0.000 0.204 263 Q C 2.425 178.290 176.000 -0.225 0.000 0.982 263 Q CA 1.647 57.220 55.803 -0.383 0.000 0.850 263 Q CB -0.273 28.097 28.738 -0.614 0.000 0.901 263 Q HN 0.523 nan 8.270 nan 0.000 0.422 264 A N 0.356 123.027 122.820 -0.247 0.000 1.933 264 A HA -0.105 4.217 4.320 0.004 0.000 0.218 264 A C 2.263 179.751 177.584 -0.161 0.000 1.175 264 A CA 1.567 53.508 52.037 -0.160 0.000 0.628 264 A CB -1.221 17.707 19.000 -0.120 0.000 0.814 264 A HN 0.607 nan 8.150 nan 0.000 0.444 265 G N -0.047 108.597 108.800 -0.260 0.000 2.432 265 G HA2 -0.198 3.764 3.960 0.004 0.000 0.219 265 G HA3 -0.198 3.764 3.960 0.004 0.000 0.219 265 G C 1.896 176.729 174.900 -0.112 0.000 1.135 265 G CA 1.722 46.687 45.100 -0.225 0.000 0.767 265 G HN 0.875 nan 8.290 nan 0.000 0.550 266 S N 0.263 115.917 115.700 -0.077 0.000 2.461 266 S HA 0.050 4.523 4.470 0.004 0.000 0.228 266 S C 1.850 176.426 174.600 -0.039 0.000 1.005 266 S CA 1.122 59.313 58.200 -0.015 0.000 0.942 266 S CB -0.107 63.119 63.200 0.044 0.000 0.776 266 S HN 0.571 nan 8.310 nan 0.000 0.514 267 E N 1.242 121.411 120.200 -0.053 0.000 2.152 267 E HA -0.063 4.289 4.350 0.004 0.000 0.192 267 E C 2.131 178.714 176.600 -0.030 0.000 0.983 267 E CA 1.388 57.763 56.400 -0.041 0.000 0.818 267 E CB -0.256 29.419 29.700 -0.041 0.000 0.758 267 E HN 0.685 nan 8.360 nan 0.000 0.467 268 V N -2.078 117.817 119.914 -0.031 0.000 3.354 268 V HA 0.038 4.161 4.120 0.004 0.000 0.258 268 V C 2.198 178.285 176.094 -0.012 0.000 1.159 268 V CA 0.989 63.278 62.300 -0.018 0.000 1.125 268 V CB 0.503 32.318 31.823 -0.014 0.000 0.774 268 V HN 0.068 nan 8.190 nan 0.000 0.464 269 S N 1.469 117.160 115.700 -0.015 0.000 2.365 269 S HA -0.207 4.266 4.470 0.004 0.000 0.225 269 S C 2.175 176.775 174.600 0.000 0.000 1.039 269 S CA 2.226 60.422 58.200 -0.006 0.000 1.033 269 S CB -0.547 62.654 63.200 0.001 0.000 0.887 269 S HN 0.995 nan 8.310 nan 0.000 0.447 270 A N 1.242 124.060 122.820 -0.003 0.000 1.902 270 A HA 0.066 4.388 4.320 0.004 0.000 0.217 270 A C 2.161 179.745 177.584 0.001 0.000 1.181 270 A CA 1.418 53.454 52.037 -0.002 0.000 0.623 270 A CB -0.740 18.256 19.000 -0.007 0.000 0.818 270 A HN 0.592 nan 8.150 nan 0.000 0.443 271 L N -0.845 120.378 121.223 -0.000 0.000 2.275 271 L HA -0.044 4.298 4.340 0.004 0.000 0.215 271 L C 1.734 178.608 176.870 0.008 0.000 1.119 271 L CA 0.473 55.315 54.840 0.003 0.000 0.790 271 L CB -0.382 41.678 42.059 0.001 0.000 0.919 271 L HN 0.324 nan 8.230 nan 0.000 0.443 272 L N -0.086 121.142 121.223 0.008 0.000 2.591 272 L HA 0.175 4.517 4.340 0.004 0.000 0.228 272 L C 1.216 178.094 176.870 0.015 0.000 1.133 272 L CA 0.258 55.107 54.840 0.014 0.000 0.880 272 L CB -0.369 41.698 42.059 0.013 0.000 1.033 272 L HN 0.389 nan 8.230 nan 0.000 0.450 273 G N 1.190 109.997 108.800 0.011 0.000 2.256 273 G HA2 -0.285 3.677 3.960 0.004 0.000 0.272 273 G HA3 -0.285 3.677 3.960 0.004 0.000 0.272 273 G C 0.012 174.920 174.900 0.012 0.000 1.076 273 G CA -0.187 44.920 45.100 0.012 0.000 0.882 273 G HN 0.413 nan 8.290 nan 0.000 0.497 274 R N -0.739 119.768 120.500 0.012 0.000 2.407 274 R HA 0.593 4.935 4.340 0.004 0.000 0.303 274 R C 0.849 177.157 176.300 0.014 0.000 0.981 274 R CA -1.032 55.077 56.100 0.013 0.000 0.905 274 R CB 1.411 31.720 30.300 0.015 0.000 1.099 274 R HN 0.288 nan 8.270 nan 0.000 0.459 275 I N 5.305 125.884 120.570 0.015 0.000 2.664 275 I HA 0.010 4.183 4.170 0.004 0.000 0.284 275 I C -1.521 174.608 176.117 0.020 0.000 1.154 275 I CA -1.290 60.020 61.300 0.015 0.000 1.402 275 I CB 0.057 38.066 38.000 0.015 0.000 1.395 275 I HN 0.304 nan 8.210 nan 0.000 0.545 276 P HA 0.025 nan 4.420 nan 0.000 0.269 276 P C -0.239 177.083 177.300 0.038 0.000 1.209 276 P CA -0.117 62.999 63.100 0.027 0.000 0.776 276 P CB 1.100 32.808 31.700 0.013 0.000 0.876 277 S N 1.549 117.286 115.700 0.061 0.000 2.666 277 S HA 0.567 5.040 4.470 0.004 0.000 0.279 277 S C 0.077 174.730 174.600 0.088 0.000 1.149 277 S CA -0.361 57.883 58.200 0.073 0.000 1.020 277 S CB 0.167 63.420 63.200 0.088 0.000 1.127 277 S HN 0.604 nan 8.310 nan 0.000 0.537 278 A N 0.540 123.419 122.820 0.097 0.000 2.587 278 A HA 0.335 4.657 4.320 0.004 0.000 0.235 278 A C 1.122 178.790 177.584 0.141 0.000 1.044 278 A CA 0.495 52.593 52.037 0.102 0.000 0.754 278 A CB -1.103 17.958 19.000 0.102 0.000 0.968 278 A HN 1.805 nan 8.150 nan 0.000 0.509 279 V N 0.800 120.760 119.914 0.076 0.000 3.191 279 V HA -0.299 3.824 4.120 0.004 0.000 0.181 279 V C 1.777 177.801 176.094 -0.116 0.000 0.444 279 V CA 1.572 63.883 62.300 0.018 0.000 1.114 279 V CB -2.517 29.355 31.823 0.081 0.000 1.275 279 V HN 2.977 nan 8.190 nan 0.000 1.153 280 G N -2.816 105.948 108.800 -0.061 0.000 2.175 280 G HA2 -0.306 3.656 3.960 0.004 0.000 0.244 280 G HA3 -0.306 3.656 3.960 0.004 0.000 0.244 280 G C -0.205 174.636 174.900 -0.098 0.000 0.982 280 G CA 0.227 45.265 45.100 -0.103 0.000 0.641 280 G HN 0.923 nan 8.290 nan 0.000 0.527 281 Y N 2.002 122.312 120.300 0.018 0.000 2.300 281 Y HA 0.457 5.010 4.550 0.004 0.000 0.328 281 Y C 1.336 177.233 175.900 -0.006 0.000 1.270 281 Y CA -0.391 57.712 58.100 0.005 0.000 1.352 281 Y CB 0.572 39.043 38.460 0.019 0.000 1.286 281 Y HN 0.398 nan 8.280 nan 0.000 0.536 282 Q N 2.788 122.700 119.800 0.185 0.000 2.349 282 Q HA 0.029 4.371 4.340 0.004 0.000 0.287 282 Q C -2.361 173.681 176.000 0.071 0.000 1.044 282 Q CA -1.355 54.497 55.803 0.081 0.000 0.918 282 Q CB 0.523 29.280 28.738 0.031 0.000 1.242 282 Q HN 0.404 nan 8.270 nan 0.000 0.405 283 P HA -0.081 nan 4.420 nan 0.000 0.225 283 P C 0.825 178.142 177.300 0.028 0.000 1.148 283 P CA 1.489 64.613 63.100 0.040 0.000 0.779 283 P CB 0.034 31.752 31.700 0.031 0.000 0.780 284 T N -4.116 110.450 114.554 0.020 0.000 3.188 284 T HA 0.136 4.488 4.350 0.004 0.000 0.250 284 T C 1.495 176.200 174.700 0.008 0.000 1.077 284 T CA -0.259 61.851 62.100 0.016 0.000 0.967 284 T CB -0.968 67.908 68.868 0.013 0.000 1.006 284 T HN -0.005 nan 8.240 nan 0.000 0.552 285 L N 1.065 122.284 121.223 -0.007 0.000 1.991 285 L HA -0.219 4.124 4.340 0.004 0.000 0.221 285 L C 2.801 179.671 176.870 -0.000 0.000 1.079 285 L CA 2.226 57.038 54.840 -0.046 0.000 0.778 285 L CB -0.674 41.324 42.059 -0.102 0.000 0.893 285 L HN 0.423 nan 8.230 nan 0.000 0.437 286 A N -1.310 121.527 122.820 0.029 0.000 1.970 286 A HA -0.148 4.174 4.320 0.004 0.000 0.216 286 A C 2.264 179.908 177.584 0.099 0.000 1.170 286 A CA 1.668 53.751 52.037 0.076 0.000 0.645 286 A CB -0.883 18.158 19.000 0.069 0.000 0.816 286 A HN 0.645 nan 8.150 nan 0.000 0.447 287 T N -2.497 112.101 114.554 0.072 0.000 2.942 287 T HA -0.084 4.268 4.350 0.004 0.000 0.265 287 T C 1.243 175.996 174.700 0.089 0.000 1.062 287 T CA 1.264 63.408 62.100 0.074 0.000 1.139 287 T CB -0.352 68.548 68.868 0.052 0.000 0.883 287 T HN 0.293 nan 8.240 nan 0.000 0.468 288 D N 0.950 121.408 120.400 0.096 0.000 2.144 288 D HA -0.013 4.629 4.640 0.004 0.000 0.199 288 D C 1.916 178.368 176.300 0.253 0.000 0.984 288 D CA 0.939 55.041 54.000 0.169 0.000 0.834 288 D CB -0.333 40.529 40.800 0.104 0.000 0.955 288 D HN 0.397 nan 8.370 nan 0.000 0.465 289 M N 0.218 119.931 119.600 0.188 0.000 2.200 289 M HA -0.012 4.471 4.480 0.004 0.000 0.265 289 M C 2.009 178.275 176.300 -0.056 0.000 1.066 289 M CA 1.583 56.967 55.300 0.141 0.000 1.127 289 M CB -0.031 32.639 32.600 0.116 0.000 1.379 289 M HN 0.012 nan 8.290 nan 0.000 0.420 290 G N 0.674 109.498 108.800 0.041 0.000 2.421 290 G HA2 -0.199 3.764 3.960 0.004 0.000 0.216 290 G HA3 -0.199 3.764 3.960 0.004 0.000 0.216 290 G C 1.401 176.295 174.900 -0.009 0.000 1.171 290 G CA 0.716 45.845 45.100 0.048 0.000 0.775 290 G HN 0.438 nan 8.290 nan 0.000 0.543 291 L N -0.408 120.827 121.223 0.019 0.000 2.131 291 L HA -0.025 4.317 4.340 0.004 0.000 0.210 291 L C 2.658 179.494 176.870 -0.057 0.000 1.092 291 L CA 0.574 55.421 54.840 0.011 0.000 0.759 291 L CB -0.284 41.811 42.059 0.059 0.000 0.903 291 L HN 0.288 nan 8.230 nan 0.000 0.435 292 L N -0.605 120.536 121.223 -0.137 0.000 2.071 292 L HA -0.125 4.217 4.340 0.004 0.000 0.201 292 L C 2.465 179.181 176.870 -0.257 0.000 1.076 292 L CA 1.511 56.184 54.840 -0.278 0.000 0.755 292 L CB -0.535 41.171 42.059 -0.588 0.000 0.915 292 L HN 0.035 nan 8.230 nan 0.000 0.445 293 Q N 0.021 119.637 119.800 -0.307 0.000 2.135 293 Q HA -0.193 4.150 4.340 0.004 0.000 0.204 293 Q C 2.054 177.947 176.000 -0.180 0.000 0.981 293 Q CA 1.774 57.375 55.803 -0.336 0.000 0.856 293 Q CB -0.185 28.126 28.738 -0.710 0.000 0.902 293 Q HN 0.515 nan 8.270 nan 0.000 0.425 294 E N -0.521 119.616 120.200 -0.105 0.000 2.478 294 E HA -0.099 4.253 4.350 0.004 0.000 0.198 294 E C 1.647 178.230 176.600 -0.028 0.000 1.046 294 E CA 0.428 56.822 56.400 -0.012 0.000 0.870 294 E CB 0.105 29.828 29.700 0.038 0.000 0.818 294 E HN 0.365 nan 8.360 nan 0.000 0.527 295 R N 0.112 120.574 120.500 -0.063 0.000 2.140 295 R HA 0.156 4.498 4.340 0.004 0.000 0.213 295 R C 1.150 177.411 176.300 -0.065 0.000 1.059 295 R CA 0.219 56.285 56.100 -0.058 0.000 1.000 295 R CB 0.118 30.375 30.300 -0.072 0.000 0.910 295 R HN 0.064 nan 8.270 nan 0.000 0.455 296 I N 2.166 122.680 120.570 -0.093 0.000 2.501 296 I HA -0.014 4.158 4.170 0.004 0.000 0.305 296 I C 0.128 176.203 176.117 -0.070 0.000 1.197 296 I CA 0.459 61.702 61.300 -0.095 0.000 1.793 296 I CB -0.215 37.705 38.000 -0.135 0.000 1.521 296 I HN -0.026 nan 8.210 nan 0.000 0.843 297 T N 2.670 117.194 114.554 -0.050 0.000 2.894 297 T HA 0.308 4.661 4.350 0.004 0.000 0.309 297 T C -0.274 174.407 174.700 -0.032 0.000 1.208 297 T CA -0.359 61.719 62.100 -0.037 0.000 1.016 297 T CB 1.808 70.662 68.868 -0.023 0.000 1.192 297 T HN 0.245 nan 8.240 nan 0.000 0.491 298 T N 3.411 117.946 114.554 -0.031 0.000 2.794 298 T HA 0.519 4.872 4.350 0.004 0.000 0.296 298 T C 0.679 175.361 174.700 -0.030 0.000 0.949 298 T CA -0.184 61.901 62.100 -0.026 0.000 1.101 298 T CB 0.616 69.469 68.868 -0.025 0.000 0.905 298 T HN 0.843 nan 8.240 nan 0.000 0.516 299 T N 1.144 115.682 114.554 -0.026 0.000 2.797 299 T HA 0.472 4.824 4.350 0.004 0.000 0.267 299 T C 1.239 175.919 174.700 -0.033 0.000 0.986 299 T CA -0.735 61.345 62.100 -0.034 0.000 0.999 299 T CB 1.037 69.888 68.868 -0.029 0.000 1.508 299 T HN 0.364 nan 8.240 nan 0.000 0.595 300 K N -0.132 120.247 120.400 -0.036 0.000 2.228 300 K HA 0.166 4.488 4.320 0.004 0.000 0.202 300 K C 2.328 178.913 176.600 -0.024 0.000 1.051 300 K CA 0.635 56.902 56.287 -0.032 0.000 0.960 300 K CB -0.003 32.475 32.500 -0.036 0.000 0.743 300 K HN 0.449 nan 8.250 nan 0.000 0.458 301 K N -0.312 120.074 120.400 -0.023 0.000 2.217 301 K HA 0.010 4.332 4.320 0.004 0.000 0.202 301 K C 0.813 177.407 176.600 -0.010 0.000 1.051 301 K CA 0.782 57.056 56.287 -0.022 0.000 0.952 301 K CB 0.430 32.910 32.500 -0.033 0.000 0.736 301 K HN 0.190 nan 8.250 nan 0.000 0.453 302 G N -0.280 108.518 108.800 -0.003 0.000 2.495 302 G HA2 0.274 4.236 3.960 0.004 0.000 0.294 302 G HA3 0.274 4.236 3.960 0.004 0.000 0.294 302 G C -1.577 173.331 174.900 0.013 0.000 1.397 302 G CA -0.704 44.406 45.100 0.015 0.000 0.790 302 G HN 0.052 nan 8.290 nan 0.000 0.486 303 S N -1.553 114.162 115.700 0.026 0.000 2.536 303 S HA 0.793 5.266 4.470 0.004 0.000 0.298 303 S C -1.042 173.567 174.600 0.014 0.000 1.083 303 S CA -0.828 57.381 58.200 0.014 0.000 0.995 303 S CB 2.103 65.311 63.200 0.014 0.000 1.058 303 S HN 1.190 nan 8.310 nan 0.000 0.488 304 V N 2.308 122.212 119.914 -0.016 0.000 2.398 304 V HA 0.379 4.501 4.120 0.004 0.000 0.282 304 V C -0.276 175.764 176.094 -0.090 0.000 1.014 304 V CA -0.567 61.705 62.300 -0.045 0.000 0.838 304 V CB 1.250 33.046 31.823 -0.045 0.000 1.018 304 V HN 1.042 nan 8.190 nan 0.000 0.432 305 T N 3.877 118.354 114.554 -0.128 0.000 2.794 305 T HA 0.447 4.800 4.350 0.004 0.000 0.296 305 T C 0.311 174.839 174.700 -0.287 0.000 0.949 305 T CA -0.165 61.824 62.100 -0.185 0.000 1.101 305 T CB 0.823 69.575 68.868 -0.193 0.000 0.905 305 T HN 0.830 nan 8.240 nan 0.000 0.516 306 S N 1.955 117.482 115.700 -0.289 0.000 2.521 306 S HA 0.743 5.216 4.470 0.004 0.000 0.295 306 S C -0.723 173.644 174.600 -0.388 0.000 1.098 306 S CA -0.844 57.140 58.200 -0.360 0.000 0.999 306 S CB 1.417 64.463 63.200 -0.256 0.000 1.034 306 S HN 0.400 nan 8.310 nan 0.000 0.483 307 V N 2.728 122.361 119.914 -0.468 0.000 2.495 307 V HA 0.554 4.676 4.120 0.004 0.000 0.298 307 V C -0.570 175.407 176.094 -0.194 0.000 1.031 307 V CA -0.533 61.584 62.300 -0.305 0.000 0.871 307 V CB 1.378 33.096 31.823 -0.174 0.000 0.988 307 V HN 0.978 nan 8.190 nan 0.000 0.432 308 Q N 2.568 122.259 119.800 -0.182 0.000 2.304 308 Q HA 0.717 5.059 4.340 0.004 0.000 0.270 308 Q C -0.441 175.453 176.000 -0.178 0.000 1.035 308 Q CA -0.555 55.141 55.803 -0.178 0.000 0.781 308 Q CB 2.549 31.158 28.738 -0.214 0.000 1.261 308 Q HN 0.936 nan 8.270 nan 0.000 0.444 309 A N 2.001 124.754 122.820 -0.112 0.000 2.425 309 A HA 0.522 4.845 4.320 0.004 0.000 0.249 309 A C -0.288 177.197 177.584 -0.165 0.000 1.084 309 A CA -0.249 51.730 52.037 -0.095 0.000 0.781 309 A CB 0.511 19.520 19.000 0.015 0.000 1.019 309 A HN 0.481 nan 8.150 nan 0.000 0.490 310 V N 3.229 122.987 119.914 -0.260 0.000 2.398 310 V HA 0.148 4.270 4.120 0.004 0.000 0.282 310 V C -0.644 175.378 176.094 -0.120 0.000 1.014 310 V CA -0.494 61.630 62.300 -0.293 0.000 0.838 310 V CB 0.489 31.762 31.823 -0.916 0.000 1.018 310 V HN 0.809 nan 8.190 nan 0.000 0.432 311 Y N 4.571 124.819 120.300 -0.087 0.000 2.620 311 Y HA 0.318 4.871 4.550 0.004 0.000 0.330 311 Y C 0.097 175.754 175.900 -0.406 0.000 1.186 311 Y CA 0.405 58.376 58.100 -0.216 0.000 1.467 311 Y CB 0.966 39.291 38.460 -0.224 0.000 1.262 311 Y HN 0.413 nan 8.280 nan 0.000 0.550 312 V N 9.680 129.050 119.914 -0.907 0.000 2.313 312 V HA 0.286 4.409 4.120 0.004 0.000 0.278 312 V C -2.201 173.336 176.094 -0.929 0.000 1.017 312 V CA -2.076 59.832 62.300 -0.653 0.000 0.823 312 V CB 0.951 32.615 31.823 -0.266 0.000 1.010 312 V HN 0.707 nan 8.190 nan 0.000 0.443 313 P HA 0.213 nan 4.420 nan 0.000 0.271 313 P C 0.447 177.654 177.300 -0.154 0.000 1.216 313 P CA 0.291 63.216 63.100 -0.291 0.000 0.771 313 P CB 0.785 32.479 31.700 -0.009 0.000 0.864 314 A N 3.239 126.018 122.820 -0.067 0.000 2.665 314 A HA -0.251 4.071 4.320 0.004 0.000 0.301 314 A C 0.847 178.390 177.584 -0.069 0.000 1.509 314 A CA 1.138 53.155 52.037 -0.033 0.000 0.789 314 A CB -2.620 16.384 19.000 0.007 0.000 1.024 314 A HN 0.635 nan 8.150 nan 0.000 0.460 315 D N -1.506 118.813 120.400 -0.135 0.000 2.931 315 D HA -0.205 4.437 4.640 0.004 0.000 0.228 315 D C -0.109 176.142 176.300 -0.081 0.000 1.180 315 D CA 2.245 56.173 54.000 -0.120 0.000 0.784 315 D CB -0.831 39.926 40.800 -0.072 0.000 1.093 315 D HN 0.995 nan 8.370 nan 0.000 0.421 316 D N -0.001 120.356 120.400 -0.073 0.000 2.428 316 D HA 0.198 4.841 4.640 0.004 0.000 0.221 316 D C 1.263 177.560 176.300 -0.006 0.000 1.123 316 D CA -0.419 53.566 54.000 -0.025 0.000 0.869 316 D CB 0.275 41.076 40.800 0.003 0.000 1.032 316 D HN 0.108 nan 8.370 nan 0.000 0.506 317 L N 2.729 123.956 121.223 0.007 0.000 2.549 317 L HA -0.060 4.282 4.340 0.004 0.000 0.229 317 L C 1.907 178.833 176.870 0.094 0.000 1.158 317 L CA 1.220 56.094 54.840 0.056 0.000 0.842 317 L CB -0.178 41.908 42.059 0.046 0.000 0.952 317 L HN 0.542 nan 8.230 nan 0.000 0.452 318 T N -5.482 109.109 114.554 0.061 0.000 3.060 318 T HA -0.020 4.333 4.350 0.004 0.000 0.249 318 T C 0.768 175.524 174.700 0.093 0.000 1.079 318 T CA -0.492 61.648 62.100 0.066 0.000 1.013 318 T CB -0.146 68.741 68.868 0.033 0.000 0.975 318 T HN 0.128 nan 8.240 nan 0.000 0.518 319 D N 3.016 123.480 120.400 0.108 0.000 2.533 319 D HA 0.014 4.657 4.640 0.004 0.000 0.236 319 D C -1.409 174.985 176.300 0.156 0.000 1.137 319 D CA -1.257 52.842 54.000 0.164 0.000 0.867 319 D CB 1.461 42.370 40.800 0.181 0.000 1.170 319 D HN 0.012 nan 8.370 nan 0.000 0.474 320 P HA -0.240 nan 4.420 nan 0.000 0.217 320 P C 0.982 178.235 177.300 -0.078 0.000 1.158 320 P CA 2.423 65.530 63.100 0.011 0.000 0.887 320 P CB 0.028 31.695 31.700 -0.055 0.000 0.792 321 A N 0.161 122.878 122.820 -0.171 0.000 1.852 321 A HA -0.187 4.136 4.320 0.004 0.000 0.217 321 A C 0.068 177.727 177.584 0.125 0.000 1.215 321 A CA 3.082 55.095 52.037 -0.041 0.000 0.641 321 A CB -2.412 16.744 19.000 0.259 0.000 0.838 321 A HN 0.236 nan 8.150 nan 0.000 0.450 322 P HA -0.091 nan 4.420 nan 0.000 0.217 322 P C 1.610 179.014 177.300 0.174 0.000 1.151 322 P CA 1.930 65.150 63.100 0.200 0.000 0.828 322 P CB -0.244 31.575 31.700 0.199 0.000 0.788 323 A N 0.412 123.356 122.820 0.206 0.000 1.892 323 A HA -0.201 4.121 4.320 0.004 0.000 0.218 323 A C 2.357 180.102 177.584 0.269 0.000 1.188 323 A CA 2.896 55.103 52.037 0.284 0.000 0.631 323 A CB -2.045 17.055 19.000 0.167 0.000 0.822 323 A HN 0.229 nan 8.150 nan 0.000 0.447 324 T N -0.191 114.460 114.554 0.162 0.000 2.867 324 T HA -0.098 4.254 4.350 0.004 0.000 0.268 324 T C 1.912 176.740 174.700 0.213 0.000 1.057 324 T CA 1.780 63.968 62.100 0.147 0.000 1.136 324 T CB -0.567 68.359 68.868 0.096 0.000 0.874 324 T HN 0.610 nan 8.240 nan 0.000 0.466 325 T N 1.823 116.504 114.554 0.211 0.000 2.788 325 T HA -0.033 4.320 4.350 0.004 0.000 0.268 325 T C 1.534 176.393 174.700 0.265 0.000 1.044 325 T CA 0.808 63.052 62.100 0.241 0.000 1.139 325 T CB -0.577 68.355 68.868 0.106 0.000 0.867 325 T HN 0.274 nan 8.240 nan 0.000 0.454 326 F N 2.052 122.154 119.950 0.255 0.000 2.115 326 F HA -0.162 4.367 4.527 0.003 0.000 0.300 326 F C 2.656 178.502 175.800 0.076 0.000 1.092 326 F CA 1.068 59.158 58.000 0.149 0.000 1.245 326 F CB -0.822 38.155 39.000 -0.039 0.000 0.995 326 F HN 0.171 nan 8.300 nan 0.000 0.481 327 A N -1.661 121.263 122.820 0.174 0.000 2.121 327 A HA -0.154 4.168 4.320 0.004 0.000 0.218 327 A C 1.701 179.246 177.584 -0.066 0.000 1.154 327 A CA 1.172 53.208 52.037 -0.002 0.000 0.679 327 A CB -0.893 18.035 19.000 -0.121 0.000 0.795 327 A HN 0.458 nan 8.150 nan 0.000 0.458 328 H N -0.984 118.146 119.070 0.100 0.000 2.547 328 H HA 0.282 4.840 4.556 0.004 0.000 0.266 328 H C -0.247 175.103 175.328 0.038 0.000 0.988 328 H CA 0.418 56.498 56.048 0.053 0.000 1.147 328 H CB -0.010 29.769 29.762 0.029 0.000 1.365 328 H HN 0.344 nan 8.280 nan 0.000 0.589 329 L N 0.276 121.597 121.223 0.163 0.000 2.346 329 L HA 0.216 4.559 4.340 0.004 0.000 0.274 329 L C 0.975 177.899 176.870 0.090 0.000 1.007 329 L CA -0.570 54.336 54.840 0.110 0.000 0.818 329 L CB 2.247 44.387 42.059 0.137 0.000 1.284 329 L HN -0.100 nan 8.230 nan 0.000 0.424 330 D N 1.508 121.937 120.400 0.049 0.000 2.249 330 D HA 0.103 4.746 4.640 0.004 0.000 0.205 330 D C 0.336 176.680 176.300 0.074 0.000 0.962 330 D CA 0.720 54.749 54.000 0.050 0.000 0.860 330 D CB 0.806 41.622 40.800 0.026 0.000 0.955 330 D HN 0.544 nan 8.370 nan 0.000 0.505 331 A N 0.742 123.605 122.820 0.072 0.000 2.455 331 A HA 0.518 4.841 4.320 0.004 0.000 0.300 331 A C -0.397 177.272 177.584 0.142 0.000 1.040 331 A CA -0.645 51.470 52.037 0.131 0.000 0.697 331 A CB 1.603 20.732 19.000 0.215 0.000 1.265 331 A HN -0.015 nan 8.150 nan 0.000 0.407 332 T N -0.283 114.397 114.554 0.209 0.000 2.807 332 T HA 0.718 5.070 4.350 0.004 0.000 0.279 332 T C -0.266 174.582 174.700 0.246 0.000 0.993 332 T CA -0.358 61.912 62.100 0.283 0.000 0.970 332 T CB 1.165 70.259 68.868 0.378 0.000 0.950 332 T HN 1.019 nan 8.240 nan 0.000 0.441 333 T N 0.309 115.000 114.554 0.228 0.000 2.791 333 T HA 0.559 4.911 4.350 0.004 0.000 0.288 333 T C -0.267 174.508 174.700 0.125 0.000 0.999 333 T CA -0.780 61.401 62.100 0.135 0.000 0.952 333 T CB 0.994 69.898 68.868 0.059 0.000 0.938 333 T HN 0.551 nan 8.240 nan 0.000 0.444 334 V N 5.426 125.407 119.914 0.111 0.000 2.348 334 V HA 0.324 4.446 4.120 0.004 0.000 0.270 334 V C 0.186 176.306 176.094 0.044 0.000 1.037 334 V CA -0.763 61.604 62.300 0.113 0.000 0.872 334 V CB 0.598 32.462 31.823 0.069 0.000 1.002 334 V HN 0.804 nan 8.190 nan 0.000 0.464 335 L N 4.653 125.896 121.223 0.034 0.000 2.326 335 L HA 0.569 4.911 4.340 0.004 0.000 0.278 335 L C 0.465 177.339 176.870 0.006 0.000 1.092 335 L CA 0.082 54.929 54.840 0.011 0.000 0.810 335 L CB 1.539 43.609 42.059 0.017 0.000 1.153 335 L HN 0.695 nan 8.230 nan 0.000 0.439 336 S N 3.008 118.698 115.700 -0.016 0.000 2.519 336 S HA 0.340 4.812 4.470 0.004 0.000 0.309 336 S C 0.724 175.296 174.600 -0.046 0.000 1.100 336 S CA -0.853 57.329 58.200 -0.030 0.000 1.059 336 S CB 1.926 65.106 63.200 -0.035 0.000 1.008 336 S HN 0.749 nan 8.310 nan 0.000 0.478 337 R N 3.290 123.766 120.500 -0.040 0.000 2.091 337 R HA -0.073 4.270 4.340 0.004 0.000 0.238 337 R C 2.168 178.436 176.300 -0.052 0.000 1.136 337 R CA 2.113 58.189 56.100 -0.040 0.000 0.959 337 R CB -1.203 29.080 30.300 -0.029 0.000 0.856 337 R HN 0.898 nan 8.270 nan 0.000 0.437 338 G N 1.272 110.042 108.800 -0.050 0.000 2.529 338 G HA2 -0.298 3.664 3.960 0.004 0.000 0.219 338 G HA3 -0.298 3.664 3.960 0.004 0.000 0.219 338 G C 1.468 176.328 174.900 -0.067 0.000 1.177 338 G CA 1.311 46.379 45.100 -0.053 0.000 0.773 338 G HN 0.326 nan 8.290 nan 0.000 0.573 339 I N 1.437 121.960 120.570 -0.078 0.000 2.179 339 I HA -0.202 3.970 4.170 0.004 0.000 0.242 339 I C 3.198 179.210 176.117 -0.176 0.000 1.088 339 I CA 1.549 62.791 61.300 -0.097 0.000 1.357 339 I CB -0.328 37.624 38.000 -0.080 0.000 1.051 339 I HN 0.388 nan 8.210 nan 0.000 0.409 340 S N 0.565 116.128 115.700 -0.228 0.000 2.400 340 S HA -0.223 4.249 4.470 0.004 0.000 0.232 340 S C 1.655 176.111 174.600 -0.240 0.000 1.025 340 S CA 1.363 59.320 58.200 -0.406 0.000 0.993 340 S CB -0.486 62.561 63.200 -0.255 0.000 0.808 340 S HN 0.518 nan 8.310 nan 0.000 0.478 341 E N 0.410 120.544 120.200 -0.110 0.000 2.502 341 E HA 0.213 4.565 4.350 0.004 0.000 0.194 341 E C 1.203 177.781 176.600 -0.038 0.000 1.062 341 E CA 0.177 56.552 56.400 -0.042 0.000 0.867 341 E CB -0.076 29.611 29.700 -0.022 0.000 0.888 341 E HN 0.578 nan 8.360 nan 0.000 0.510 342 L N -0.772 120.411 121.223 -0.068 0.000 2.607 342 L HA 0.226 4.569 4.340 0.004 0.000 0.228 342 L C 1.415 178.257 176.870 -0.048 0.000 1.123 342 L CA 0.268 55.078 54.840 -0.051 0.000 0.890 342 L CB 0.232 42.264 42.059 -0.044 0.000 1.103 342 L HN 0.252 nan 8.230 nan 0.000 0.468 343 G N 0.632 109.404 108.800 -0.048 0.000 2.179 343 G HA2 -0.253 3.709 3.960 0.004 0.000 0.260 343 G HA3 -0.253 3.709 3.960 0.004 0.000 0.260 343 G C 0.360 175.347 174.900 0.146 0.000 0.977 343 G CA -0.314 44.838 45.100 0.086 0.000 0.641 343 G HN 0.186 nan 8.290 nan 0.000 0.533 344 I N 1.416 121.973 120.570 -0.022 0.000 2.389 344 I HA 0.319 4.491 4.170 0.004 0.000 0.295 344 I C 0.030 176.054 176.117 -0.155 0.000 1.117 344 I CA -0.205 61.133 61.300 0.063 0.000 1.317 344 I CB -0.994 37.035 38.000 0.048 0.000 1.431 344 I HN 0.059 nan 8.210 nan 0.000 0.521 345 Y N 7.575 127.900 120.300 0.042 0.000 2.429 345 Y HA 0.426 4.978 4.550 0.003 0.000 0.342 345 Y C -1.968 173.801 175.900 -0.218 0.000 1.004 345 Y CA -2.620 55.424 58.100 -0.093 0.000 1.075 345 Y CB 1.747 40.119 38.460 -0.147 0.000 1.214 345 Y HN 0.401 nan 8.280 nan 0.000 0.455 346 P HA 0.081 nan 4.420 nan 0.000 0.271 346 P C -0.438 176.924 177.300 0.104 0.000 1.216 346 P CA -0.165 62.976 63.100 0.069 0.000 0.776 346 P CB 1.077 32.924 31.700 0.245 0.000 0.881 347 A N 3.758 126.609 122.820 0.052 0.000 2.711 347 A HA 0.149 4.471 4.320 0.004 0.000 0.242 347 A C 0.590 178.177 177.584 0.006 0.000 1.607 347 A CA -0.157 51.834 52.037 -0.075 0.000 1.370 347 A CB -1.342 17.557 19.000 -0.168 0.000 0.934 347 A HN 0.390 nan 8.150 nan 0.000 0.628 348 V N 1.196 121.147 119.914 0.062 0.000 2.572 348 V HA 0.025 4.147 4.120 0.004 0.000 0.291 348 V C 0.471 176.582 176.094 0.028 0.000 1.039 348 V CA -0.410 61.923 62.300 0.056 0.000 1.055 348 V CB 1.066 32.954 31.823 0.107 0.000 0.969 348 V HN 0.580 nan 8.190 nan 0.000 0.482 349 D N 8.122 128.530 120.400 0.013 0.000 2.344 349 D HA 0.139 4.782 4.640 0.004 0.000 0.253 349 D C -1.281 175.023 176.300 0.006 0.000 1.255 349 D CA -1.923 52.078 54.000 0.002 0.000 0.894 349 D CB 1.590 42.383 40.800 -0.010 0.000 1.067 349 D HN 0.305 nan 8.370 nan 0.000 0.492 350 P HA -0.013 nan 4.420 nan 0.000 0.242 350 P C 1.138 178.430 177.300 -0.014 0.000 1.197 350 P CA 0.396 63.495 63.100 -0.001 0.000 0.765 350 P CB 0.512 32.215 31.700 0.006 0.000 0.936 351 L N -1.261 119.951 121.223 -0.018 0.000 2.642 351 L HA 0.223 4.565 4.340 0.004 0.000 0.233 351 L C 1.652 178.496 176.870 -0.044 0.000 1.077 351 L CA 0.502 55.323 54.840 -0.031 0.000 0.879 351 L CB 0.063 42.103 42.059 -0.031 0.000 1.151 351 L HN -0.141 nan 8.230 nan 0.000 0.495 352 D N -0.717 119.659 120.400 -0.041 0.000 2.398 352 D HA 0.057 4.699 4.640 0.004 0.000 0.210 352 D C 0.425 176.702 176.300 -0.038 0.000 1.094 352 D CA 0.208 54.170 54.000 -0.063 0.000 0.839 352 D CB 0.584 41.340 40.800 -0.074 0.000 0.963 352 D HN -0.070 nan 8.370 nan 0.000 0.506 353 S N 0.164 115.863 115.700 -0.001 0.000 2.562 353 S HA 0.514 4.986 4.470 0.004 0.000 0.275 353 S C -0.114 174.507 174.600 0.035 0.000 1.281 353 S CA -0.365 57.860 58.200 0.042 0.000 1.045 353 S CB 1.705 64.942 63.200 0.061 0.000 0.962 353 S HN 0.040 nan 8.310 nan 0.000 0.503 354 K N 0.774 121.216 120.400 0.069 0.000 2.502 354 K HA 0.602 4.924 4.320 0.004 0.000 0.257 354 K C -1.060 175.597 176.600 0.095 0.000 0.938 354 K CA -0.358 55.962 56.287 0.055 0.000 0.819 354 K CB 2.144 34.656 32.500 0.019 0.000 1.333 354 K HN 0.524 nan 8.250 nan 0.000 0.434 355 S N 0.648 116.394 115.700 0.076 0.000 2.570 355 S HA 0.371 4.843 4.470 0.004 0.000 0.286 355 S C 0.419 175.058 174.600 0.065 0.000 1.099 355 S CA -0.669 57.587 58.200 0.093 0.000 0.913 355 S CB 1.598 64.863 63.200 0.109 0.000 1.085 355 S HN 0.706 nan 8.310 nan 0.000 0.480 356 R N 1.938 122.477 120.500 0.065 0.000 2.092 356 R HA 0.128 4.470 4.340 0.004 0.000 0.231 356 R C 1.351 177.675 176.300 0.041 0.000 1.119 356 R CA 1.469 57.597 56.100 0.047 0.000 0.970 356 R CB -0.300 30.026 30.300 0.043 0.000 0.864 356 R HN 0.725 nan 8.270 nan 0.000 0.440 357 L N 0.952 122.205 121.223 0.050 0.000 2.599 357 L HA 0.039 4.381 4.340 0.004 0.000 0.230 357 L C 0.542 177.430 176.870 0.031 0.000 1.141 357 L CA -0.255 54.609 54.840 0.041 0.000 0.877 357 L CB -0.032 42.059 42.059 0.054 0.000 1.009 357 L HN 0.152 nan 8.230 nan 0.000 0.447 358 L N 1.709 122.954 121.223 0.037 0.000 2.400 358 L HA 0.102 4.445 4.340 0.004 0.000 0.262 358 L C -0.454 176.490 176.870 0.125 0.000 1.309 358 L CA 0.511 55.380 54.840 0.049 0.000 1.186 358 L CB -0.600 41.477 42.059 0.029 0.000 1.375 358 L HN 0.036 nan 8.230 nan 0.000 0.433 359 D N 1.461 121.889 120.400 0.047 0.000 2.879 359 D HA 0.446 5.088 4.640 0.004 0.000 0.236 359 D C 0.820 177.019 176.300 -0.169 0.000 1.171 359 D CA 0.033 53.983 54.000 -0.083 0.000 0.868 359 D CB 2.081 42.843 40.800 -0.064 0.000 1.598 359 D HN 0.223 nan 8.370 nan 0.000 0.497 360 A N 2.994 125.536 122.820 -0.463 0.000 2.076 360 A HA 0.049 4.371 4.320 0.004 0.000 0.220 360 A C 1.917 179.418 177.584 -0.139 0.000 1.160 360 A CA 2.022 53.849 52.037 -0.350 0.000 0.653 360 A CB -0.599 18.091 19.000 -0.516 0.000 0.801 360 A HN 0.616 nan 8.150 nan 0.000 0.455 361 A N -1.007 121.741 122.820 -0.121 0.000 1.930 361 A HA 0.166 4.488 4.320 0.004 0.000 0.215 361 A C 2.136 179.706 177.584 -0.024 0.000 1.176 361 A CA 1.458 53.459 52.037 -0.060 0.000 0.632 361 A CB -0.478 18.488 19.000 -0.058 0.000 0.819 361 A HN 0.325 nan 8.150 nan 0.000 0.445 362 V N -0.073 119.830 119.914 -0.018 0.000 2.446 362 V HA -0.118 4.004 4.120 0.004 0.000 0.244 362 V C 2.374 178.494 176.094 0.043 0.000 1.039 362 V CA 1.872 64.179 62.300 0.012 0.000 1.045 362 V CB 0.211 32.042 31.823 0.014 0.000 0.681 362 V HN 0.567 nan 8.190 nan 0.000 0.459 363 V N -2.186 117.758 119.914 0.050 0.000 3.660 363 V HA 0.697 4.819 4.120 0.004 0.000 0.276 363 V C 0.841 177.026 176.094 0.150 0.000 1.317 363 V CA 0.241 62.618 62.300 0.129 0.000 1.097 363 V CB -0.611 31.248 31.823 0.060 0.000 0.863 363 V HN 0.756 nan 8.190 nan 0.000 0.438 364 G N 0.716 109.566 108.800 0.082 0.000 2.705 364 G HA2 -0.223 3.740 3.960 0.004 0.000 0.686 364 G HA3 -0.223 3.740 3.960 0.004 0.000 0.686 364 G C -0.086 174.876 174.900 0.103 0.000 1.285 364 G CA 0.316 45.464 45.100 0.080 0.000 0.800 364 G HN 0.519 nan 8.290 nan 0.000 0.611 365 Q N -0.034 119.813 119.800 0.077 0.000 2.096 365 Q HA -0.090 4.252 4.340 0.004 0.000 0.204 365 Q C 2.388 178.487 176.000 0.164 0.000 0.982 365 Q CA 2.787 58.651 55.803 0.102 0.000 0.850 365 Q CB -0.216 28.560 28.738 0.063 0.000 0.901 365 Q HN 0.797 nan 8.270 nan 0.000 0.422 366 E N -1.048 119.236 120.200 0.141 0.000 2.031 366 E HA -0.277 4.076 4.350 0.004 0.000 0.193 366 E C 1.977 178.693 176.600 0.195 0.000 0.994 366 E CA 1.250 57.736 56.400 0.144 0.000 0.800 366 E CB -0.324 29.444 29.700 0.113 0.000 0.752 366 E HN 0.689 nan 8.360 nan 0.000 0.447 367 H N -1.219 117.903 119.070 0.087 0.000 2.319 367 H HA -0.230 4.328 4.556 0.003 0.000 0.299 367 H C 2.225 177.598 175.328 0.076 0.000 1.092 367 H CA 1.698 57.787 56.048 0.069 0.000 1.302 367 H CB -0.180 29.618 29.762 0.060 0.000 1.373 367 H HN 0.273 nan 8.280 nan 0.000 0.497 368 Y N 1.894 122.172 120.300 -0.037 0.000 2.081 368 Y HA -0.285 4.268 4.550 0.005 0.000 0.280 368 Y C 2.172 178.055 175.900 -0.028 0.000 1.163 368 Y CA 2.168 60.203 58.100 -0.108 0.000 1.135 368 Y CB -0.484 37.932 38.460 -0.074 0.000 0.970 368 Y HN 0.316 nan 8.280 nan 0.000 0.498 369 D N -0.588 119.867 120.400 0.091 0.000 2.123 369 D HA -0.181 4.462 4.640 0.004 0.000 0.196 369 D C 2.408 178.692 176.300 -0.026 0.000 0.992 369 D CA 1.713 55.727 54.000 0.023 0.000 0.833 369 D CB -0.490 40.375 40.800 0.108 0.000 0.954 369 D HN 0.331 nan 8.370 nan 0.000 0.455 370 V N 1.436 121.371 119.914 0.036 0.000 2.295 370 V HA -0.235 3.888 4.120 0.004 0.000 0.246 370 V C 2.570 178.662 176.094 -0.004 0.000 1.049 370 V CA 1.808 64.144 62.300 0.060 0.000 1.024 370 V CB -0.913 30.989 31.823 0.132 0.000 0.648 370 V HN 0.184 nan 8.190 nan 0.000 0.447 371 A N -0.220 122.563 122.820 -0.062 0.000 1.908 371 A HA -0.243 4.079 4.320 0.004 0.000 0.218 371 A C 2.488 179.952 177.584 -0.201 0.000 1.181 371 A CA 2.497 54.444 52.037 -0.149 0.000 0.627 371 A CB -0.767 18.096 19.000 -0.228 0.000 0.818 371 A HN 0.520 nan 8.150 nan 0.000 0.445 372 S N -0.454 115.064 115.700 -0.304 0.000 2.348 372 S HA -0.142 4.330 4.470 0.004 0.000 0.221 372 S C 1.981 176.508 174.600 -0.123 0.000 1.033 372 S CA 1.566 59.602 58.200 -0.273 0.000 1.010 372 S CB -0.272 62.700 63.200 -0.379 0.000 0.891 372 S HN 0.611 nan 8.310 nan 0.000 0.442 373 K N 0.627 120.983 120.400 -0.074 0.000 2.152 373 K HA -0.053 4.270 4.320 0.004 0.000 0.206 373 K C 2.008 178.612 176.600 0.006 0.000 1.048 373 K CA 0.977 57.254 56.287 -0.016 0.000 0.933 373 K CB -0.324 32.185 32.500 0.015 0.000 0.721 373 K HN 0.145 nan 8.250 nan 0.000 0.447 374 V N 1.361 121.280 119.914 0.009 0.000 2.295 374 V HA -0.275 3.847 4.120 0.004 0.000 0.246 374 V C 2.222 178.323 176.094 0.011 0.000 1.049 374 V CA 1.704 64.026 62.300 0.037 0.000 1.024 374 V CB -0.367 31.474 31.823 0.030 0.000 0.648 374 V HN 0.365 nan 8.190 nan 0.000 0.447 375 Q N -0.546 119.235 119.800 -0.032 0.000 2.050 375 Q HA -0.242 4.100 4.340 0.004 0.000 0.202 375 Q C 2.322 178.315 176.000 -0.012 0.000 0.980 375 Q CA 1.852 57.637 55.803 -0.031 0.000 0.840 375 Q CB -0.177 28.523 28.738 -0.064 0.000 0.898 375 Q HN 0.675 nan 8.270 nan 0.000 0.424 376 E N -0.334 119.855 120.200 -0.018 0.000 2.065 376 E HA -0.215 4.138 4.350 0.004 0.000 0.201 376 E C 2.017 178.628 176.600 0.017 0.000 1.016 376 E CA 1.814 58.212 56.400 -0.004 0.000 0.818 376 E CB -0.018 29.678 29.700 -0.006 0.000 0.749 376 E HN 0.338 nan 8.360 nan 0.000 0.453 377 T N 1.329 115.898 114.554 0.025 0.000 2.746 377 T HA -0.122 4.230 4.350 0.004 0.000 0.267 377 T C 1.951 176.692 174.700 0.069 0.000 1.039 377 T CA 0.828 62.950 62.100 0.037 0.000 1.142 377 T CB -0.184 68.703 68.868 0.032 0.000 0.866 377 T HN 0.093 nan 8.240 nan 0.000 0.444 378 L N 0.799 122.066 121.223 0.073 0.000 2.083 378 L HA -0.121 4.221 4.340 0.004 0.000 0.209 378 L C 2.859 179.788 176.870 0.098 0.000 1.083 378 L CA 1.125 56.031 54.840 0.111 0.000 0.752 378 L CB -0.476 41.630 42.059 0.078 0.000 0.899 378 L HN 0.236 nan 8.230 nan 0.000 0.433 379 Q N -0.012 119.818 119.800 0.051 0.000 2.119 379 Q HA -0.141 4.201 4.340 0.004 0.000 0.201 379 Q C 2.007 178.032 176.000 0.040 0.000 0.972 379 Q CA 2.243 58.062 55.803 0.026 0.000 0.847 379 Q CB -0.312 28.429 28.738 0.004 0.000 0.903 379 Q HN 0.376 nan 8.270 nan 0.000 0.433 380 T N 0.170 114.761 114.554 0.061 0.000 2.684 380 T HA -0.184 4.168 4.350 0.004 0.000 0.267 380 T C 1.305 176.077 174.700 0.120 0.000 1.036 380 T CA 1.454 63.595 62.100 0.068 0.000 1.148 380 T CB -0.744 68.160 68.868 0.059 0.000 0.863 380 T HN 0.372 nan 8.240 nan 0.000 0.436 381 Y N 2.361 122.655 120.300 -0.010 0.000 2.114 381 Y HA -0.144 4.412 4.550 0.010 0.000 0.282 381 Y C 2.435 178.328 175.900 -0.013 0.000 1.165 381 Y CA 1.255 59.348 58.100 -0.011 0.000 1.148 381 Y CB -0.512 37.942 38.460 -0.010 0.000 0.972 381 Y HN 0.080 nan 8.280 nan 0.000 0.504 382 K N -0.649 119.714 120.400 -0.060 0.000 2.057 382 K HA -0.143 4.179 4.320 0.004 0.000 0.207 382 K C 2.220 178.762 176.600 -0.097 0.000 1.049 382 K CA 1.527 57.718 56.287 -0.160 0.000 0.931 382 K CB -0.262 32.180 32.500 -0.096 0.000 0.714 382 K HN 0.241 nan 8.250 nan 0.000 0.440 383 S N 0.793 116.472 115.700 -0.035 0.000 2.465 383 S HA -0.061 4.411 4.470 0.004 0.000 0.241 383 S C 1.486 176.076 174.600 -0.017 0.000 1.000 383 S CA 0.862 59.049 58.200 -0.022 0.000 0.964 383 S CB -0.013 63.186 63.200 -0.002 0.000 0.763 383 S HN 0.287 nan 8.310 nan 0.000 0.512 384 L N 0.221 121.438 121.223 -0.010 0.000 2.701 384 L HA 0.152 4.495 4.340 0.004 0.000 0.238 384 L C 1.994 178.852 176.870 -0.021 0.000 1.106 384 L CA -0.089 54.758 54.840 0.012 0.000 0.898 384 L CB -0.175 41.929 42.059 0.074 0.000 1.188 384 L HN 0.038 nan 8.230 nan 0.000 0.508 385 Q N 0.927 120.664 119.800 -0.106 0.000 2.142 385 Q HA -0.285 4.057 4.340 0.004 0.000 0.213 385 Q C 1.457 177.414 176.000 -0.072 0.000 1.004 385 Q CA 2.046 57.757 55.803 -0.153 0.000 0.883 385 Q CB -0.410 28.203 28.738 -0.208 0.000 0.939 385 Q HN 0.561 nan 8.270 nan 0.000 0.413 386 D N -0.234 120.134 120.400 -0.053 0.000 2.097 386 D HA -0.069 4.573 4.640 0.004 0.000 0.197 386 D C 2.182 178.472 176.300 -0.015 0.000 0.984 386 D CA 0.767 54.747 54.000 -0.033 0.000 0.826 386 D CB -0.137 40.645 40.800 -0.031 0.000 0.973 386 D HN 0.285 nan 8.370 nan 0.000 0.460 387 I N 1.615 122.180 120.570 -0.007 0.000 2.226 387 I HA -0.224 3.948 4.170 0.004 0.000 0.245 387 I C 2.446 178.572 176.117 0.014 0.000 1.100 387 I CA 0.650 61.953 61.300 0.005 0.000 1.374 387 I CB -0.170 37.837 38.000 0.011 0.000 1.057 387 I HN -0.025 nan 8.210 nan 0.000 0.413 388 I N 1.118 121.703 120.570 0.025 0.000 2.286 388 I HA -0.269 3.904 4.170 0.004 0.000 0.248 388 I C 2.830 178.962 176.117 0.025 0.000 1.115 388 I CA 1.669 62.995 61.300 0.044 0.000 1.392 388 I CB -1.466 36.590 38.000 0.092 0.000 1.065 388 I HN 0.204 nan 8.210 nan 0.000 0.418 389 A N 1.418 124.242 122.820 0.005 0.000 1.873 389 A HA -0.101 4.221 4.320 0.004 0.000 0.215 389 A C 2.256 179.840 177.584 0.001 0.000 1.186 389 A CA 1.189 53.225 52.037 -0.002 0.000 0.616 389 A CB -0.351 18.639 19.000 -0.017 0.000 0.823 389 A HN 0.267 nan 8.150 nan 0.000 0.442 390 I N -0.765 119.805 120.570 -0.000 0.000 2.270 390 I HA -0.041 4.131 4.170 0.004 0.000 0.239 390 I C 2.146 178.265 176.117 0.004 0.000 1.080 390 I CA 1.168 62.468 61.300 0.000 0.000 1.383 390 I CB -1.280 36.719 38.000 -0.002 0.000 1.097 390 I HN 0.221 nan 8.210 nan 0.000 0.420 391 L N -0.026 121.201 121.223 0.007 0.000 2.554 391 L HA 0.331 4.674 4.340 0.004 0.000 0.225 391 L C 1.058 177.934 176.870 0.012 0.000 1.104 391 L CA 0.244 55.088 54.840 0.008 0.000 0.866 391 L CB -0.229 41.834 42.059 0.007 0.000 1.047 391 L HN 0.450 nan 8.230 nan 0.000 0.468 392 G N -0.278 108.532 108.800 0.016 0.000 2.860 392 G HA2 -0.279 3.684 3.960 0.004 0.000 0.553 392 G HA3 -0.279 3.684 3.960 0.004 0.000 0.553 392 G C 0.430 175.344 174.900 0.024 0.000 1.439 392 G CA -0.230 44.883 45.100 0.021 0.000 0.879 392 G HN -0.104 nan 8.290 nan 0.000 0.545 393 M N 0.047 119.662 119.600 0.025 0.000 2.267 393 M HA -0.057 4.426 4.480 0.004 0.000 0.263 393 M C 1.819 178.127 176.300 0.013 0.000 1.063 393 M CA 1.859 57.171 55.300 0.021 0.000 1.090 393 M CB -0.937 31.671 32.600 0.014 0.000 1.392 393 M HN 0.601 nan 8.290 nan 0.000 0.422 394 D N 0.122 120.528 120.400 0.011 0.000 2.312 394 D HA -0.085 4.558 4.640 0.004 0.000 0.211 394 D C 1.479 177.783 176.300 0.007 0.000 0.964 394 D CA 0.668 54.672 54.000 0.007 0.000 0.877 394 D CB 0.163 40.966 40.800 0.006 0.000 0.924 394 D HN 0.330 nan 8.370 nan 0.000 0.515 395 E N 0.116 120.322 120.200 0.009 0.000 2.479 395 E HA 0.093 4.446 4.350 0.004 0.000 0.193 395 E C 0.658 177.264 176.600 0.010 0.000 1.049 395 E CA -0.049 56.356 56.400 0.009 0.000 0.870 395 E CB 0.510 30.215 29.700 0.009 0.000 0.944 395 E HN 0.347 nan 8.360 nan 0.000 0.492 396 L N 1.348 122.577 121.223 0.011 0.000 2.399 396 L HA 0.152 4.495 4.340 0.004 0.000 0.266 396 L C 0.919 177.793 176.870 0.007 0.000 1.114 396 L CA -0.615 54.232 54.840 0.012 0.000 0.804 396 L CB 0.840 42.908 42.059 0.016 0.000 1.146 396 L HN -0.113 nan 8.230 nan 0.000 0.451 397 S N 0.502 116.206 115.700 0.007 0.000 2.568 397 S HA 0.040 4.512 4.470 0.004 0.000 0.282 397 S C 0.886 175.487 174.600 0.002 0.000 1.338 397 S CA -0.557 57.645 58.200 0.004 0.000 1.045 397 S CB 0.895 64.098 63.200 0.004 0.000 0.873 397 S HN 0.641 nan 8.310 nan 0.000 0.516 398 E N 1.590 121.790 120.200 -0.000 0.000 2.267 398 E HA -0.186 4.166 4.350 0.004 0.000 0.197 398 E C 1.882 178.479 176.600 -0.005 0.000 0.998 398 E CA 1.059 57.457 56.400 -0.003 0.000 0.830 398 E CB -0.183 29.515 29.700 -0.003 0.000 0.751 398 E HN 0.807 nan 8.360 nan 0.000 0.491 399 Q N 0.353 120.151 119.800 -0.002 0.000 1.993 399 Q HA -0.166 4.176 4.340 0.004 0.000 0.202 399 Q C 1.703 177.701 176.000 -0.004 0.000 0.984 399 Q CA 1.393 57.194 55.803 -0.002 0.000 0.837 399 Q CB 0.076 28.814 28.738 0.001 0.000 0.902 399 Q HN 0.223 nan 8.270 nan 0.000 0.423 400 D N 0.237 120.638 120.400 0.001 0.000 2.117 400 D HA -0.130 4.512 4.640 0.004 0.000 0.197 400 D C 1.713 178.008 176.300 -0.008 0.000 0.987 400 D CA 0.988 54.991 54.000 0.004 0.000 0.829 400 D CB -0.093 40.716 40.800 0.015 0.000 0.961 400 D HN 0.093 nan 8.370 nan 0.000 0.460 401 K N -0.065 120.330 120.400 -0.009 0.000 2.127 401 K HA -0.187 4.135 4.320 0.004 0.000 0.208 401 K C 1.926 178.502 176.600 -0.039 0.000 1.047 401 K CA 0.764 57.039 56.287 -0.020 0.000 0.927 401 K CB -0.107 32.385 32.500 -0.013 0.000 0.716 401 K HN 0.002 nan 8.250 nan 0.000 0.450 402 L N 0.323 121.526 121.223 -0.032 0.000 2.095 402 L HA -0.085 4.257 4.340 0.004 0.000 0.204 402 L C 1.908 178.744 176.870 -0.055 0.000 1.080 402 L CA 1.866 56.682 54.840 -0.040 0.000 0.759 402 L CB -0.753 41.291 42.059 -0.024 0.000 0.914 402 L HN 0.167 nan 8.230 nan 0.000 0.439 403 T N -1.525 113.004 114.554 -0.043 0.000 2.788 403 T HA -0.132 4.221 4.350 0.004 0.000 0.268 403 T C 2.024 176.667 174.700 -0.095 0.000 1.044 403 T CA 1.409 63.482 62.100 -0.045 0.000 1.139 403 T CB -0.415 68.445 68.868 -0.013 0.000 0.867 403 T HN 0.147 nan 8.240 nan 0.000 0.454 404 V N 1.498 121.339 119.914 -0.122 0.000 2.270 404 V HA -0.154 3.968 4.120 0.004 0.000 0.245 404 V C 2.549 178.426 176.094 -0.362 0.000 1.043 404 V CA 1.668 63.801 62.300 -0.279 0.000 1.014 404 V CB -0.593 31.120 31.823 -0.183 0.000 0.645 404 V HN 0.479 nan 8.190 nan 0.000 0.447 405 E N -0.481 119.589 120.200 -0.216 0.000 2.160 405 E HA -0.254 4.099 4.350 0.004 0.000 0.195 405 E C 2.431 178.908 176.600 -0.204 0.000 0.991 405 E CA 1.270 57.557 56.400 -0.188 0.000 0.810 405 E CB -0.112 29.522 29.700 -0.110 0.000 0.742 405 E HN 0.398 nan 8.360 nan 0.000 0.466 406 R N -0.120 120.272 120.500 -0.180 0.000 2.075 406 R HA 0.005 4.347 4.340 0.004 0.000 0.226 406 R C 2.255 178.440 176.300 -0.191 0.000 1.114 406 R CA 0.953 56.948 56.100 -0.174 0.000 0.972 406 R CB -0.095 30.145 30.300 -0.100 0.000 0.869 406 R HN 0.116 nan 8.270 nan 0.000 0.437 407 A N 0.974 123.680 122.820 -0.190 0.000 1.908 407 A HA -0.204 4.118 4.320 0.004 0.000 0.218 407 A C 2.073 179.541 177.584 -0.193 0.000 1.181 407 A CA 1.472 53.415 52.037 -0.157 0.000 0.627 407 A CB -0.437 18.459 19.000 -0.173 0.000 0.818 407 A HN 0.287 nan 8.150 nan 0.000 0.445 408 R N -0.575 119.718 120.500 -0.345 0.000 2.120 408 R HA -0.088 4.254 4.340 0.004 0.000 0.234 408 R C 2.141 178.338 176.300 -0.171 0.000 1.123 408 R CA 1.613 57.564 56.100 -0.249 0.000 0.975 408 R CB -0.167 29.963 30.300 -0.284 0.000 0.866 408 R HN 0.542 nan 8.270 nan 0.000 0.446 409 K N 0.282 120.507 120.400 -0.292 0.000 2.044 409 K HA -0.013 4.309 4.320 0.004 0.000 0.204 409 K C 2.004 178.392 176.600 -0.353 0.000 1.049 409 K CA 1.055 57.018 56.287 -0.540 0.000 0.945 409 K CB -0.038 31.823 32.500 -1.066 0.000 0.724 409 K HN 0.070 nan 8.250 nan 0.000 0.440 410 I N 1.408 121.875 120.570 -0.172 0.000 2.151 410 I HA -0.366 3.807 4.170 0.004 0.000 0.243 410 I C 2.723 178.997 176.117 0.262 0.000 1.080 410 I CA 1.407 62.787 61.300 0.133 0.000 1.339 410 I CB -0.294 37.823 38.000 0.195 0.000 1.039 410 I HN 0.296 nan 8.210 nan 0.000 0.409 411 Q N 0.671 120.562 119.800 0.151 0.000 2.077 411 Q HA -0.270 4.072 4.340 0.004 0.000 0.206 411 Q C 2.380 178.504 176.000 0.207 0.000 0.989 411 Q CA 1.930 57.834 55.803 0.169 0.000 0.853 411 Q CB 0.020 28.842 28.738 0.140 0.000 0.907 411 Q HN 0.392 nan 8.270 nan 0.000 0.418 412 R N -0.919 119.703 120.500 0.203 0.000 2.073 412 R HA -0.091 4.251 4.340 0.004 0.000 0.229 412 R C 2.035 178.568 176.300 0.389 0.000 1.120 412 R CA 1.079 57.358 56.100 0.299 0.000 0.967 412 R CB -0.264 30.198 30.300 0.270 0.000 0.862 412 R HN 0.219 nan 8.270 nan 0.000 0.436 413 F N 1.162 121.218 119.950 0.176 0.000 2.408 413 F HA -0.059 4.475 4.527 0.011 0.000 0.300 413 F C 1.418 177.415 175.800 0.329 0.000 1.090 413 F CA 1.059 59.167 58.000 0.181 0.000 1.427 413 F CB -0.086 38.880 39.000 -0.055 0.000 1.070 413 F HN -0.026 nan 8.300 nan 0.000 0.549 414 L N -0.622 120.844 121.223 0.405 0.000 2.492 414 L HA -0.005 4.338 4.340 0.004 0.000 0.223 414 L C 1.410 178.372 176.870 0.153 0.000 1.132 414 L CA 0.323 55.311 54.840 0.246 0.000 0.850 414 L CB -0.745 41.423 42.059 0.183 0.000 0.966 414 L HN 0.056 nan 8.230 nan 0.000 0.454 415 S N -0.216 115.580 115.700 0.160 0.000 2.603 415 S HA 0.325 4.797 4.470 0.004 0.000 0.268 415 S C -0.300 174.313 174.600 0.022 0.000 1.317 415 S CA -0.436 57.806 58.200 0.071 0.000 1.012 415 S CB 1.835 65.065 63.200 0.051 0.000 0.926 415 S HN 0.275 nan 8.310 nan 0.000 0.539 416 Q N 0.787 120.562 119.800 -0.042 0.000 2.364 416 Q HA 0.342 4.685 4.340 0.004 0.000 0.257 416 Q C -3.030 172.956 176.000 -0.024 0.000 0.956 416 Q CA -1.910 53.898 55.803 0.009 0.000 0.924 416 Q CB 2.251 31.078 28.738 0.147 0.000 1.413 416 Q HN 0.551 nan 8.270 nan 0.000 0.418 417 P HA 0.077 nan 4.420 nan 0.000 0.265 417 P C -0.878 176.567 177.300 0.242 0.000 1.222 417 P CA 0.134 63.261 63.100 0.044 0.000 0.767 417 P CB 0.093 31.804 31.700 0.019 0.000 0.801 418 F N 2.160 122.090 119.950 -0.034 0.000 2.375 418 F HA 0.311 4.841 4.527 0.005 0.000 0.333 418 F C 1.831 177.613 175.800 -0.030 0.000 1.104 418 F CA -1.284 56.687 58.000 -0.049 0.000 1.149 418 F CB 0.319 39.282 39.000 -0.061 0.000 1.190 418 F HN 0.367 nan 8.300 nan 0.000 0.533 419 A N 2.681 125.559 122.820 0.096 0.000 1.902 419 A HA -0.081 4.241 4.320 0.004 0.000 0.217 419 A C 2.022 179.637 177.584 0.052 0.000 1.181 419 A CA 1.795 53.854 52.037 0.037 0.000 0.623 419 A CB -0.914 18.072 19.000 -0.024 0.000 0.818 419 A HN 0.535 nan 8.150 nan 0.000 0.443 420 V N -0.627 119.323 119.914 0.060 0.000 2.913 420 V HA -0.061 4.061 4.120 0.004 0.000 0.260 420 V C 2.309 178.493 176.094 0.149 0.000 1.098 420 V CA 1.448 63.795 62.300 0.079 0.000 1.121 420 V CB -0.894 30.965 31.823 0.060 0.000 0.714 420 V HN 0.571 nan 8.190 nan 0.000 0.487 421 A N -0.641 122.295 122.820 0.194 0.000 2.415 421 A HA 0.166 4.489 4.320 0.004 0.000 0.248 421 A C 1.855 179.551 177.584 0.188 0.000 1.299 421 A CA 0.172 52.350 52.037 0.234 0.000 0.899 421 A CB -0.372 18.708 19.000 0.134 0.000 0.997 421 A HN 0.514 nan 8.150 nan 0.000 0.506 422 E N -0.210 120.050 120.200 0.100 0.000 2.160 422 E HA -0.165 4.187 4.350 0.004 0.000 0.195 422 E C 1.350 177.930 176.600 -0.033 0.000 0.991 422 E CA 1.701 58.121 56.400 0.032 0.000 0.810 422 E CB -0.062 29.643 29.700 0.008 0.000 0.742 422 E HN 0.448 nan 8.360 nan 0.000 0.466 423 V N -0.060 119.778 119.914 -0.127 0.000 3.305 423 V HA -0.114 4.008 4.120 0.004 0.000 0.269 423 V C 1.130 176.892 176.094 -0.554 0.000 1.157 423 V CA 1.120 63.189 62.300 -0.386 0.000 1.157 423 V CB -0.501 30.963 31.823 -0.598 0.000 0.772 423 V HN 0.243 nan 8.190 nan 0.000 0.498 424 F N 0.262 120.192 119.950 -0.035 0.000 2.740 424 F HA 0.086 4.615 4.527 0.003 0.000 0.304 424 F C 2.410 178.189 175.800 -0.036 0.000 1.098 424 F CA 0.895 58.866 58.000 -0.048 0.000 1.258 424 F CB -0.360 38.575 39.000 -0.108 0.000 1.061 424 F HN 0.159 nan 8.300 nan 0.000 0.598 425 T N -3.496 111.129 114.554 0.119 0.000 3.010 425 T HA 0.334 4.687 4.350 0.004 0.000 0.252 425 T C 2.063 176.794 174.700 0.052 0.000 1.047 425 T CA 0.844 62.988 62.100 0.073 0.000 1.140 425 T CB -0.265 68.624 68.868 0.034 0.000 0.885 425 T HN 0.369 nan 8.240 nan 0.000 0.464 426 G N 1.881 110.694 108.800 0.022 0.000 2.184 426 G HA2 -0.220 3.742 3.960 0.004 0.000 0.264 426 G HA3 -0.220 3.742 3.960 0.004 0.000 0.264 426 G C 0.054 174.962 174.900 0.013 0.000 0.975 426 G CA 0.349 45.454 45.100 0.008 0.000 0.642 426 G HN 0.734 nan 8.290 nan 0.000 0.536 427 I N 0.970 121.551 120.570 0.018 0.000 2.412 427 I HA 0.450 4.622 4.170 0.004 0.000 0.296 427 I C -2.209 173.917 176.117 0.014 0.000 0.987 427 I CA -2.795 58.514 61.300 0.015 0.000 1.180 427 I CB 1.826 39.832 38.000 0.011 0.000 1.340 427 I HN -0.201 nan 8.210 nan 0.000 0.455 428 P HA 0.089 nan 4.420 nan 0.000 0.268 428 P C 0.234 177.547 177.300 0.021 0.000 1.205 428 P CA -0.100 63.007 63.100 0.012 0.000 0.771 428 P CB 0.467 32.170 31.700 0.005 0.000 0.858 429 G N 2.819 111.637 108.800 0.029 0.000 2.614 429 G HA2 0.202 4.164 3.960 0.004 0.000 0.239 429 G HA3 0.202 4.164 3.960 0.004 0.000 0.239 429 G C -0.489 174.429 174.900 0.031 0.000 1.240 429 G CA -0.376 44.754 45.100 0.048 0.000 0.842 429 G HN 0.341 nan 8.290 nan 0.000 0.584 430 K N 0.572 121.000 120.400 0.046 0.000 2.378 430 K HA 0.390 4.712 4.320 0.004 0.000 0.252 430 K C -1.191 175.417 176.600 0.013 0.000 0.931 430 K CA -0.737 55.566 56.287 0.026 0.000 0.794 430 K CB 2.894 35.413 32.500 0.031 0.000 1.181 430 K HN 0.371 nan 8.250 nan 0.000 0.425 431 L N 2.681 123.896 121.223 -0.013 0.000 2.313 431 L HA 0.423 4.765 4.340 0.004 0.000 0.283 431 L C -1.085 175.772 176.870 -0.021 0.000 1.013 431 L CA -0.838 53.981 54.840 -0.035 0.000 0.816 431 L CB 1.427 43.456 42.059 -0.051 0.000 1.236 431 L HN 0.277 nan 8.230 nan 0.000 0.419 432 V N 4.795 124.695 119.914 -0.023 0.000 2.513 432 V HA 0.526 4.648 4.120 0.004 0.000 0.299 432 V C 0.090 176.165 176.094 -0.032 0.000 1.035 432 V CA -0.816 61.472 62.300 -0.021 0.000 0.889 432 V CB 1.671 33.482 31.823 -0.020 0.000 0.988 432 V HN 0.727 nan 8.190 nan 0.000 0.440 433 R N 1.995 122.478 120.500 -0.027 0.000 2.441 433 R HA 0.344 4.687 4.340 0.004 0.000 0.284 433 R C 1.215 177.486 176.300 -0.049 0.000 1.070 433 R CA -0.531 55.550 56.100 -0.033 0.000 1.047 433 R CB 1.148 31.434 30.300 -0.022 0.000 1.016 433 R HN 0.733 nan 8.270 nan 0.000 0.477 434 L N 3.358 124.543 121.223 -0.065 0.000 2.010 434 L HA -0.324 4.018 4.340 0.004 0.000 0.219 434 L C 2.004 178.794 176.870 -0.134 0.000 1.077 434 L CA 1.968 56.741 54.840 -0.112 0.000 0.773 434 L CB -0.108 41.889 42.059 -0.104 0.000 0.892 434 L HN 0.603 nan 8.230 nan 0.000 0.436 435 K N -0.823 119.526 120.400 -0.085 0.000 2.097 435 K HA -0.235 4.087 4.320 0.004 0.000 0.206 435 K C 1.775 178.357 176.600 -0.031 0.000 1.049 435 K CA 1.742 57.992 56.287 -0.063 0.000 0.933 435 K CB -0.238 32.244 32.500 -0.029 0.000 0.717 435 K HN 0.423 nan 8.250 nan 0.000 0.442 436 D N -0.116 120.273 120.400 -0.018 0.000 2.183 436 D HA -0.087 4.555 4.640 0.004 0.000 0.203 436 D C 1.500 177.816 176.300 0.027 0.000 0.969 436 D CA 1.194 55.200 54.000 0.010 0.000 0.842 436 D CB 0.197 41.002 40.800 0.008 0.000 0.957 436 D HN 0.050 nan 8.370 nan 0.000 0.484 437 T N -0.726 113.826 114.554 -0.004 0.000 2.737 437 T HA -0.110 4.243 4.350 0.004 0.000 0.265 437 T C 2.111 176.867 174.700 0.093 0.000 1.038 437 T CA 1.185 63.301 62.100 0.026 0.000 1.144 437 T CB -0.440 68.385 68.868 -0.072 0.000 0.866 437 T HN -0.022 nan 8.240 nan 0.000 0.434 438 V N 1.763 121.657 119.914 -0.033 0.000 2.343 438 V HA -0.148 3.974 4.120 0.004 0.000 0.247 438 V C 2.898 179.051 176.094 0.098 0.000 1.051 438 V CA 1.695 63.981 62.300 -0.023 0.000 1.036 438 V CB -1.185 30.533 31.823 -0.175 0.000 0.654 438 V HN 0.541 nan 8.190 nan 0.000 0.451 439 A N -0.595 122.274 122.820 0.082 0.000 1.930 439 A HA -0.153 4.169 4.320 0.004 0.000 0.217 439 A C 2.472 180.145 177.584 0.149 0.000 1.175 439 A CA 1.952 54.051 52.037 0.105 0.000 0.627 439 A CB -0.541 18.504 19.000 0.075 0.000 0.815 439 A HN 0.501 nan 8.150 nan 0.000 0.443 440 S N -0.613 115.191 115.700 0.173 0.000 2.348 440 S HA -0.097 4.375 4.470 0.004 0.000 0.221 440 S C 1.621 176.353 174.600 0.221 0.000 1.033 440 S CA 1.551 59.867 58.200 0.193 0.000 1.010 440 S CB -0.533 62.801 63.200 0.224 0.000 0.891 440 S HN 0.542 nan 8.310 nan 0.000 0.442 441 F N 1.833 121.891 119.950 0.181 0.000 2.146 441 F HA 0.013 4.545 4.527 0.007 0.000 0.298 441 F C 2.326 178.214 175.800 0.145 0.000 1.096 441 F CA 1.029 59.142 58.000 0.189 0.000 1.275 441 F CB -0.400 38.660 39.000 0.099 0.000 1.008 441 F HN 0.085 nan 8.300 nan 0.000 0.480 442 K N 0.490 121.061 120.400 0.285 0.000 2.089 442 K HA -0.266 4.056 4.320 0.004 0.000 0.210 442 K C 2.144 178.849 176.600 0.175 0.000 1.048 442 K CA 1.517 57.920 56.287 0.193 0.000 0.926 442 K CB -0.308 32.285 32.500 0.154 0.000 0.714 442 K HN 0.260 nan 8.250 nan 0.000 0.448 443 A N 0.218 123.155 122.820 0.195 0.000 1.929 443 A HA -0.043 4.279 4.320 0.004 0.000 0.216 443 A C 2.151 179.905 177.584 0.283 0.000 1.176 443 A CA 1.228 53.410 52.037 0.241 0.000 0.628 443 A CB -0.264 18.927 19.000 0.318 0.000 0.816 443 A HN 0.168 nan 8.150 nan 0.000 0.444 444 V N 0.267 120.310 119.914 0.215 0.000 2.427 444 V HA -0.223 3.900 4.120 0.004 0.000 0.248 444 V C 2.495 178.662 176.094 0.121 0.000 1.051 444 V CA 1.687 64.086 62.300 0.166 0.000 1.048 444 V CB -0.819 31.009 31.823 0.008 0.000 0.666 444 V HN 0.548 nan 8.190 nan 0.000 0.456 445 L N -0.231 121.069 121.223 0.129 0.000 2.046 445 L HA -0.165 4.177 4.340 0.004 0.000 0.208 445 L C 2.150 179.068 176.870 0.079 0.000 1.077 445 L CA 1.501 56.399 54.840 0.098 0.000 0.747 445 L CB -0.513 41.612 42.059 0.110 0.000 0.896 445 L HN 0.319 nan 8.230 nan 0.000 0.432 446 E N 0.258 120.515 120.200 0.094 0.000 2.461 446 E HA 0.019 4.371 4.350 0.004 0.000 0.196 446 E C 1.114 177.742 176.600 0.046 0.000 1.129 446 E CA 0.381 56.822 56.400 0.068 0.000 0.902 446 E CB -0.256 29.488 29.700 0.073 0.000 0.963 446 E HN 0.477 nan 8.360 nan 0.000 0.503 447 G N 1.652 110.483 108.800 0.052 0.000 2.321 447 G HA2 -0.379 3.584 3.960 0.004 0.000 0.287 447 G HA3 -0.379 3.584 3.960 0.004 0.000 0.287 447 G C 0.704 175.596 174.900 -0.013 0.000 1.018 447 G CA 0.773 45.888 45.100 0.025 0.000 0.855 447 G HN 0.320 nan 8.290 nan 0.000 0.507 448 K N -1.346 119.039 120.400 -0.024 0.000 2.374 448 K HA 0.328 4.650 4.320 0.004 0.000 0.196 448 K C 0.498 176.754 176.600 -0.573 0.000 1.023 448 K CA 0.225 56.352 56.287 -0.267 0.000 1.103 448 K CB 0.319 32.636 32.500 -0.305 0.000 0.848 448 K HN 0.540 nan 8.250 nan 0.000 0.528 449 Y N -0.819 119.502 120.300 0.034 0.000 2.779 449 Y HA 0.104 4.653 4.550 -0.001 0.000 0.251 449 Y C 0.421 176.379 175.900 0.096 0.000 1.145 449 Y CA -0.629 57.514 58.100 0.072 0.000 1.201 449 Y CB 0.683 39.223 38.460 0.133 0.000 1.281 449 Y HN -0.008 nan 8.280 nan 0.000 0.563 450 D N 0.381 120.851 120.400 0.117 0.000 2.178 450 D HA -0.136 4.506 4.640 0.004 0.000 0.202 450 D C 1.423 177.762 176.300 0.064 0.000 0.974 450 D CA 1.131 55.172 54.000 0.067 0.000 0.841 450 D CB -0.199 40.610 40.800 0.016 0.000 0.953 450 D HN 0.460 nan 8.370 nan 0.000 0.478 451 N N 0.815 119.544 118.700 0.048 0.000 2.567 451 N HA -0.070 4.672 4.740 0.004 0.000 0.195 451 N C 0.224 175.771 175.510 0.062 0.000 1.242 451 N CA 0.097 53.168 53.050 0.035 0.000 0.884 451 N CB 0.092 38.582 38.487 0.004 0.000 1.007 451 N HN 0.213 nan 8.380 nan 0.000 0.450 452 I N 0.924 121.567 120.570 0.122 0.000 2.460 452 I HA 0.323 4.495 4.170 0.004 0.000 0.298 452 I C -2.179 174.047 176.117 0.182 0.000 0.989 452 I CA -2.569 58.813 61.300 0.136 0.000 1.173 452 I CB 1.926 40.012 38.000 0.144 0.000 1.338 452 I HN -0.190 nan 8.210 nan 0.000 0.456 453 P HA 0.095 nan 4.420 nan 0.000 0.269 453 P C 0.079 177.529 177.300 0.250 0.000 1.209 453 P CA -0.109 63.075 63.100 0.140 0.000 0.776 453 P CB 0.622 32.379 31.700 0.094 0.000 0.876 454 E N 0.572 120.901 120.200 0.215 0.000 2.058 454 E HA -0.276 4.076 4.350 0.004 0.000 0.194 454 E C 1.741 178.532 176.600 0.318 0.000 0.997 454 E CA 1.035 57.586 56.400 0.252 0.000 0.801 454 E CB -0.393 29.366 29.700 0.099 0.000 0.746 454 E HN 0.586 nan 8.360 nan 0.000 0.450 455 H N 0.192 119.350 119.070 0.146 0.000 2.489 455 H HA -0.059 4.497 4.556 0.000 0.000 0.295 455 H C 1.759 177.174 175.328 0.145 0.000 1.082 455 H CA 1.320 57.450 56.048 0.137 0.000 1.295 455 H CB 0.131 29.939 29.762 0.076 0.000 1.380 455 H HN 0.186 nan 8.280 nan 0.000 0.548 456 A N -0.060 122.865 122.820 0.174 0.000 2.015 456 A HA -0.109 4.213 4.320 0.004 0.000 0.219 456 A C 1.963 179.416 177.584 -0.217 0.000 1.163 456 A CA 0.844 52.848 52.037 -0.054 0.000 0.646 456 A CB -0.884 17.981 19.000 -0.224 0.000 0.806 456 A HN 0.337 nan 8.150 nan 0.000 0.448 457 F N -2.388 117.517 119.950 -0.075 0.000 2.710 457 F HA 0.137 4.660 4.527 -0.008 0.000 0.298 457 F C 0.819 176.654 175.800 0.059 0.000 1.137 457 F CA 0.018 57.935 58.000 -0.137 0.000 1.444 457 F CB -0.183 38.697 39.000 -0.200 0.000 1.111 457 F HN 0.291 nan 8.300 nan 0.000 0.580 458 Y N 1.134 121.463 120.300 0.047 0.000 2.359 458 Y HA 0.308 4.861 4.550 0.005 0.000 0.334 458 Y C 0.737 176.635 175.900 -0.003 0.000 1.058 458 Y CA -1.637 56.452 58.100 -0.018 0.000 1.244 458 Y CB 0.426 38.743 38.460 -0.238 0.000 1.187 458 Y HN 0.155 nan 8.280 nan 0.000 0.510 459 M N 4.808 124.089 119.600 -0.532 0.000 2.253 459 M HA -0.170 4.312 4.480 0.004 0.000 0.195 459 M C -1.580 174.623 176.300 -0.161 0.000 0.512 459 M CA 1.226 56.236 55.300 -0.484 0.000 0.442 459 M CB -1.334 30.779 32.600 -0.812 0.000 1.189 459 M HN 0.437 nan 8.290 nan 0.000 0.923 460 V N -3.078 116.824 119.914 -0.020 0.000 3.145 460 V HA 1.097 5.219 4.120 0.004 0.000 0.311 460 V C 0.921 177.065 176.094 0.084 0.000 1.238 460 V CA -0.282 62.040 62.300 0.037 0.000 1.066 460 V CB 1.217 33.066 31.823 0.044 0.000 1.144 460 V HN 0.398 nan 8.190 nan 0.000 0.465 461 G N -0.237 108.610 108.800 0.078 0.000 3.311 461 G HA2 0.553 4.515 3.960 0.004 0.000 0.169 461 G HA3 0.553 4.515 3.960 0.004 0.000 0.169 461 G C 0.470 175.435 174.900 0.108 0.000 1.852 461 G CA -0.078 45.062 45.100 0.067 0.000 1.010 461 G HN 1.362 nan 8.290 nan 0.000 0.530 462 G N -1.207 107.645 108.800 0.085 0.000 2.557 462 G HA2 0.367 4.329 3.960 0.004 0.000 0.292 462 G HA3 0.367 4.329 3.960 0.004 0.000 0.292 462 G C 0.950 175.964 174.900 0.190 0.000 1.237 462 G CA -0.069 45.105 45.100 0.123 0.000 0.978 462 G HN 0.474 nan 8.290 nan 0.000 0.498 463 I N -0.372 120.323 120.570 0.208 0.000 2.229 463 I HA -0.251 3.921 4.170 0.004 0.000 0.250 463 I C 2.436 178.491 176.117 -0.104 0.000 1.096 463 I CA 1.922 63.220 61.300 -0.004 0.000 1.358 463 I CB -0.066 37.884 38.000 -0.084 0.000 1.047 463 I HN 0.686 nan 8.210 nan 0.000 0.422 464 E N -0.119 120.064 120.200 -0.029 0.000 2.268 464 E HA -0.200 4.153 4.350 0.004 0.000 0.195 464 E C 1.407 177.977 176.600 -0.049 0.000 0.995 464 E CA 1.243 57.624 56.400 -0.033 0.000 0.836 464 E CB -0.207 29.491 29.700 -0.004 0.000 0.763 464 E HN 0.641 nan 8.360 nan 0.000 0.491 465 D N 0.104 120.478 120.400 -0.043 0.000 2.249 465 D HA -0.061 4.581 4.640 0.004 0.000 0.205 465 D C 2.064 178.294 176.300 -0.116 0.000 0.962 465 D CA 0.365 54.336 54.000 -0.049 0.000 0.860 465 D CB -0.012 40.784 40.800 -0.007 0.000 0.955 465 D HN 0.015 nan 8.370 nan 0.000 0.505 466 V N 0.973 120.756 119.914 -0.218 0.000 2.261 466 V HA -0.214 3.909 4.120 0.004 0.000 0.246 466 V C 2.686 178.575 176.094 -0.342 0.000 1.047 466 V CA 1.151 63.191 62.300 -0.433 0.000 1.015 466 V CB -0.687 30.633 31.823 -0.840 0.000 0.642 466 V HN 0.059 nan 8.190 nan 0.000 0.446 467 V N 0.673 120.438 119.914 -0.249 0.000 2.332 467 V HA -0.281 3.841 4.120 0.004 0.000 0.248 467 V C 2.762 178.802 176.094 -0.089 0.000 1.055 467 V CA 2.052 64.276 62.300 -0.127 0.000 1.038 467 V CB -1.467 30.328 31.823 -0.048 0.000 0.651 467 V HN 0.543 nan 8.190 nan 0.000 0.450 468 A N 0.041 122.813 122.820 -0.079 0.000 1.865 468 A HA -0.312 4.010 4.320 0.004 0.000 0.217 468 A C 2.375 179.930 177.584 -0.047 0.000 1.191 468 A CA 2.465 54.472 52.037 -0.049 0.000 0.623 468 A CB -0.578 18.400 19.000 -0.037 0.000 0.826 468 A HN 0.525 nan 8.150 nan 0.000 0.444 469 K N -0.583 119.779 120.400 -0.063 0.000 2.097 469 K HA -0.058 4.264 4.320 0.004 0.000 0.206 469 K C 2.146 178.724 176.600 -0.038 0.000 1.049 469 K CA 1.121 57.385 56.287 -0.037 0.000 0.933 469 K CB -0.303 32.178 32.500 -0.033 0.000 0.717 469 K HN 0.402 nan 8.250 nan 0.000 0.442 470 A N 1.282 124.053 122.820 -0.081 0.000 1.877 470 A HA -0.188 4.134 4.320 0.004 0.000 0.216 470 A C 1.838 179.402 177.584 -0.034 0.000 1.186 470 A CA 1.677 53.674 52.037 -0.066 0.000 0.620 470 A CB -0.458 18.480 19.000 -0.104 0.000 0.822 470 A HN 0.424 nan 8.150 nan 0.000 0.443 471 E N -0.630 119.550 120.200 -0.033 0.000 2.150 471 E HA -0.162 4.190 4.350 0.004 0.000 0.193 471 E C 2.083 178.674 176.600 -0.014 0.000 0.985 471 E CA 1.040 57.428 56.400 -0.020 0.000 0.814 471 E CB -0.089 29.600 29.700 -0.018 0.000 0.752 471 E HN 0.585 nan 8.360 nan 0.000 0.466 472 K N 0.988 121.379 120.400 -0.014 0.000 2.057 472 K HA -0.084 4.238 4.320 0.004 0.000 0.206 472 K C 1.947 178.544 176.600 -0.006 0.000 1.050 472 K CA 0.754 57.037 56.287 -0.007 0.000 0.935 472 K CB 0.028 32.527 32.500 -0.002 0.000 0.715 472 K HN 0.124 nan 8.250 nan 0.000 0.439 473 L N 0.561 121.781 121.223 -0.005 0.000 2.552 473 L HA -0.030 4.312 4.340 0.004 0.000 0.227 473 L C 2.278 179.141 176.870 -0.012 0.000 1.146 473 L CA 0.259 55.094 54.840 -0.008 0.000 0.858 473 L CB -0.258 41.800 42.059 -0.002 0.000 0.969 473 L HN 0.223 nan 8.230 nan 0.000 0.451 474 A N 0.688 123.502 122.820 -0.010 0.000 1.845 474 A HA 0.016 4.338 4.320 0.004 0.000 0.215 474 A C 1.746 179.324 177.584 -0.009 0.000 1.195 474 A CA 1.110 53.142 52.037 -0.009 0.000 0.616 474 A CB -0.602 18.393 19.000 -0.008 0.000 0.832 474 A HN 0.339 nan 8.150 nan 0.000 0.443 475 A N 0.000 122.815 122.820 -0.009 0.000 2.254 475 A HA 0.000 4.322 4.320 0.004 0.000 0.244 475 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 475 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486