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 1bpn_1_A DATA FIRST_RESID 1 DATA SEQUENCE TKGLVLGIYS KXXXEDEPQF TSAGENFNKL VSGKLREILN ISGPPLKAGK DATA SEQUENCE TRTFYGLHED FPSVVVVGLG KKTAGIDEQE NWHEGKENIR AAVAAGCRQI DATA SEQUENCE QDLEIPSVEV DPCGDAQAAA EGAVLGLYEY DDLKQKRKVV VSAKLHGSED DATA SEQUENCE QEAWQRGVLF ASGQNLARRL METPANEMTP TKFAEIVEEN LKSASIKTDV DATA SEQUENCE FIRPKSWIEE QEMGSFLSVA KGSEEPPVFL EIHYKGSPNA SEPPLVFVGK DATA SEQUENCE GITFDSGGIS IKAAANMDLM RADMGGAATI CSAIVSAAKL DLPINIVGLA DATA SEQUENCE PLCENMPSGK ANKPGDVVRA RNGKTIQVDN TDAEGRLILA DALCYAHTFN DATA SEQUENCE PKVIINAATL TGAMDIALGS GATGVFTNSS WLWNKLFEAS IETGDRVWRM DATA SEQUENCE PLFEHYTRQV IDCQLADVNN IGKYRSAGAC TAAAFLKEFV THPKWAHLDI DATA SEQUENCE AGVMTNKDEV PYLRKGMAGR PTRTLIEFLF RFSQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.688 174.700 -0.020 0.000 1.109 1 T CA 0.000 62.062 62.100 -0.063 0.000 1.349 1 T CB 0.000 68.801 68.868 -0.112 0.000 0.612 2 K N 1.935 122.318 120.400 -0.029 0.000 2.395 2 K HA 0.802 5.121 4.320 -0.001 0.000 0.245 2 K C 0.065 176.775 176.600 0.184 0.000 1.017 2 K CA -0.562 55.762 56.287 0.062 0.000 0.852 2 K CB 1.140 33.679 32.500 0.065 0.000 1.311 2 K HN 0.365 nan 8.250 nan 0.000 0.452 3 G N 0.030 108.942 108.800 0.187 0.000 2.547 3 G HA2 0.531 4.491 3.960 -0.001 0.000 0.291 3 G HA3 0.531 4.491 3.960 -0.001 0.000 0.291 3 G C -1.384 173.623 174.900 0.177 0.000 1.211 3 G CA -0.578 44.639 45.100 0.195 0.000 0.950 3 G HN 0.415 nan 8.290 nan 0.000 0.504 4 L N 0.261 121.478 121.223 -0.011 0.000 2.470 4 L HA 0.530 4.870 4.340 -0.001 0.000 0.268 4 L C -0.799 175.910 176.870 -0.268 0.000 0.964 4 L CA -0.732 53.953 54.840 -0.258 0.000 0.839 4 L CB 2.183 43.824 42.059 -0.696 0.000 1.276 4 L HN 0.285 nan 8.230 nan 0.000 0.403 5 V N 6.099 125.874 119.914 -0.230 0.000 2.333 5 V HA 0.468 4.588 4.120 -0.001 0.000 0.274 5 V C -0.104 175.835 176.094 -0.259 0.000 1.028 5 V CA -0.380 61.810 62.300 -0.184 0.000 0.851 5 V CB 1.180 32.950 31.823 -0.088 0.000 1.000 5 V HN 0.577 nan 8.190 nan 0.000 0.456 6 L N 4.175 125.241 121.223 -0.262 0.000 2.332 6 L HA 0.995 5.335 4.340 -0.001 0.000 0.269 6 L C 0.505 177.304 176.870 -0.118 0.000 1.016 6 L CA 0.149 54.835 54.840 -0.256 0.000 0.809 6 L CB 2.010 43.868 42.059 -0.336 0.000 1.280 6 L HN 0.670 nan 8.230 nan 0.000 0.447 7 G N 1.160 109.920 108.800 -0.066 0.000 2.619 7 G HA2 0.693 4.652 3.960 -0.001 0.000 0.296 7 G HA3 0.693 4.652 3.960 -0.001 0.000 0.296 7 G C -2.034 172.864 174.900 -0.003 0.000 1.334 7 G CA -0.328 44.725 45.100 -0.079 0.000 0.934 7 G HN 0.633 nan 8.290 nan 0.000 0.476 8 I N -0.175 120.288 120.570 -0.178 0.000 2.802 8 I HA 0.622 4.792 4.170 -0.001 0.000 0.298 8 I C -1.117 174.758 176.117 -0.404 0.000 1.176 8 I CA -1.098 60.055 61.300 -0.246 0.000 1.025 8 I CB 1.912 39.763 38.000 -0.250 0.000 1.243 8 I HN 0.540 nan 8.210 nan 0.000 0.424 9 Y N 2.947 123.210 120.300 -0.061 0.000 2.453 9 Y HA 0.509 5.059 4.550 -0.000 0.000 0.344 9 Y C 0.647 176.506 175.900 -0.069 0.000 1.323 9 Y CA -0.445 57.626 58.100 -0.048 0.000 1.526 9 Y CB 0.717 39.159 38.460 -0.031 0.000 1.603 9 Y HN 0.376 nan 8.280 nan 0.000 0.563 10 S N 0.330 116.125 115.700 0.157 0.000 2.525 10 S HA 0.247 4.717 4.470 -0.001 0.000 0.290 10 S C -0.234 174.388 174.600 0.037 0.000 1.152 10 S CA -1.180 57.055 58.200 0.058 0.000 1.072 10 S CB 1.157 64.388 63.200 0.052 0.000 1.027 10 S HN 0.381 nan 8.310 nan 0.000 0.500 16 D N -0.613 119.779 120.400 -0.012 0.000 1.943 16 D HA 0.078 4.718 4.640 -0.001 0.000 0.555 16 D C 0.023 176.315 176.300 -0.014 0.000 0.861 16 D CA 0.103 54.097 54.000 -0.010 0.000 1.048 16 D CB 1.372 42.168 40.800 -0.006 0.000 1.518 16 D HN 0.105 nan 8.370 nan 0.000 0.494 17 E N 1.491 121.678 120.200 -0.021 0.000 2.647 17 E HA 0.183 4.533 4.350 -0.001 0.000 0.320 17 E C -3.013 173.554 176.600 -0.055 0.000 0.951 17 E CA -1.291 55.087 56.400 -0.037 0.000 0.809 17 E CB 2.595 32.279 29.700 -0.026 0.000 1.295 17 E HN -0.240 nan 8.360 nan 0.000 0.407 18 P HA -0.028 nan 4.420 nan 0.000 0.265 18 P C -0.639 176.567 177.300 -0.157 0.000 1.222 18 P CA -0.031 63.013 63.100 -0.092 0.000 0.767 18 P CB 0.710 32.347 31.700 -0.105 0.000 0.801 19 Q N 2.458 122.237 119.800 -0.036 0.000 2.417 19 Q HA 0.329 4.669 4.340 -0.001 0.000 0.241 19 Q C 0.112 176.140 176.000 0.046 0.000 1.008 19 Q CA -0.002 55.814 55.803 0.022 0.000 0.901 19 Q CB 0.085 28.892 28.738 0.114 0.000 1.259 19 Q HN 0.379 nan 8.270 nan 0.000 0.489 20 F N -0.417 119.609 119.950 0.127 0.000 2.380 20 F HA 0.244 4.770 4.527 -0.001 0.000 0.321 20 F C 0.912 176.802 175.800 0.150 0.000 1.103 20 F CA -0.504 57.540 58.000 0.074 0.000 1.067 20 F CB 0.751 39.767 39.000 0.026 0.000 1.265 20 F HN 0.187 nan 8.300 nan 0.000 0.517 21 T N 0.618 115.335 114.554 0.271 0.000 2.870 21 T HA 0.059 4.408 4.350 -0.001 0.000 0.300 21 T C 1.315 176.107 174.700 0.153 0.000 0.989 21 T CA 0.127 62.361 62.100 0.223 0.000 1.139 21 T CB 0.881 69.786 68.868 0.062 0.000 0.920 21 T HN 0.758 nan 8.240 nan 0.000 0.537 22 S N 3.129 118.911 115.700 0.136 0.000 2.409 22 S HA -0.302 4.168 4.470 -0.001 0.000 0.237 22 S C 2.361 176.973 174.600 0.020 0.000 1.060 22 S CA 1.188 59.433 58.200 0.076 0.000 1.052 22 S CB -0.832 62.405 63.200 0.061 0.000 0.871 22 S HN 0.854 nan 8.310 nan 0.000 0.465 23 A N 1.745 124.568 122.820 0.005 0.000 1.940 23 A HA 0.151 4.471 4.320 -0.001 0.000 0.219 23 A C 2.390 179.914 177.584 -0.100 0.000 1.176 23 A CA 1.719 53.745 52.037 -0.018 0.000 0.631 23 A CB -1.608 17.373 19.000 -0.032 0.000 0.814 23 A HN 0.741 nan 8.150 nan 0.000 0.446 24 G N -1.489 107.194 108.800 -0.195 0.000 2.494 24 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.216 24 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.216 24 G C 1.393 175.949 174.900 -0.574 0.000 1.140 24 G CA 0.682 45.535 45.100 -0.411 0.000 0.801 24 G HN 0.385 nan 8.290 nan 0.000 0.536 25 E N 0.940 120.955 120.200 -0.309 0.000 2.110 25 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 25 E C 2.172 178.702 176.600 -0.117 0.000 0.988 25 E CA 0.523 56.831 56.400 -0.152 0.000 0.804 25 E CB -0.268 29.454 29.700 0.036 0.000 0.745 25 E HN 0.532 nan 8.360 nan 0.000 0.458 26 N N -0.473 118.178 118.700 -0.082 0.000 2.171 26 N HA -0.135 4.604 4.740 -0.001 0.000 0.184 26 N C 1.836 177.302 175.510 -0.073 0.000 1.021 26 N CA 0.520 53.540 53.050 -0.051 0.000 0.854 26 N CB -0.150 38.331 38.487 -0.010 0.000 0.994 26 N HN 0.080 nan 8.380 nan 0.000 0.426 27 F N 1.786 121.613 119.950 -0.204 0.000 2.502 27 F HA 0.002 4.528 4.527 -0.001 0.000 0.298 27 F C 1.982 177.658 175.800 -0.208 0.000 1.111 27 F CA 0.743 58.612 58.000 -0.219 0.000 1.445 27 F CB -0.222 38.588 39.000 -0.316 0.000 1.081 27 F HN 0.062 nan 8.300 nan 0.000 0.558 28 N N 0.469 119.041 118.700 -0.212 0.000 2.251 28 N HA -0.117 4.623 4.740 -0.001 0.000 0.181 28 N C 1.680 177.075 175.510 -0.192 0.000 1.019 28 N CA 1.324 54.248 53.050 -0.209 0.000 0.862 28 N CB -0.097 38.284 38.487 -0.177 0.000 0.992 28 N HN 0.187 nan 8.380 nan 0.000 0.429 29 K N 0.013 120.322 120.400 -0.152 0.000 2.103 29 K HA -0.089 4.230 4.320 -0.001 0.000 0.207 29 K C 1.673 178.192 176.600 -0.134 0.000 1.048 29 K CA 0.719 56.941 56.287 -0.109 0.000 0.930 29 K CB -0.124 32.330 32.500 -0.077 0.000 0.716 29 K HN 0.173 nan 8.250 nan 0.000 0.444 30 L N 0.685 121.783 121.223 -0.208 0.000 2.017 30 L HA -0.109 4.230 4.340 -0.001 0.000 0.208 30 L C 2.018 178.744 176.870 -0.240 0.000 1.073 30 L CA 1.745 56.443 54.840 -0.236 0.000 0.745 30 L CB -0.550 41.296 42.059 -0.356 0.000 0.894 30 L HN 0.101 nan 8.230 nan 0.000 0.432 31 V N -3.904 115.795 119.914 -0.359 0.000 3.499 31 V HA 0.243 4.363 4.120 -0.001 0.000 0.308 31 V C 0.915 176.935 176.094 -0.122 0.000 1.319 31 V CA -0.082 62.092 62.300 -0.211 0.000 1.194 31 V CB -0.286 31.382 31.823 -0.258 0.000 1.072 31 V HN 0.440 nan 8.190 nan 0.000 0.426 32 S N 1.334 116.965 115.700 -0.115 0.000 3.667 32 S HA -0.099 4.371 4.470 -0.001 0.000 0.405 32 S C 1.547 176.114 174.600 -0.054 0.000 0.913 32 S CA 1.287 59.445 58.200 -0.071 0.000 1.288 32 S CB -1.565 61.607 63.200 -0.047 0.000 0.905 32 S HN 2.394 nan 8.310 nan 0.000 0.550 33 G N 0.920 109.685 108.800 -0.059 0.000 2.228 33 G HA2 -0.388 3.572 3.960 -0.001 0.000 0.270 33 G HA3 -0.388 3.572 3.960 -0.001 0.000 0.270 33 G C 0.768 175.650 174.900 -0.029 0.000 0.976 33 G CA 0.871 45.953 45.100 -0.031 0.000 0.636 33 G HN 0.581 nan 8.290 nan 0.000 0.542 34 K N 0.001 120.377 120.400 -0.041 0.000 2.504 34 K HA 0.285 4.604 4.320 -0.001 0.000 0.195 34 K C 2.189 178.761 176.600 -0.047 0.000 1.036 34 K CA 0.487 56.755 56.287 -0.032 0.000 0.984 34 K CB -0.169 32.321 32.500 -0.017 0.000 0.788 34 K HN 0.546 nan 8.250 nan 0.000 0.488 35 L N 0.216 121.415 121.223 -0.040 0.000 2.084 35 L HA -0.052 4.287 4.340 -0.001 0.000 0.202 35 L C 2.418 179.236 176.870 -0.085 0.000 1.074 35 L CA 1.006 55.804 54.840 -0.069 0.000 0.757 35 L CB -0.136 41.954 42.059 0.052 0.000 0.918 35 L HN 0.033 nan 8.230 nan 0.000 0.444 36 R N 0.516 121.049 120.500 0.056 0.000 2.103 36 R HA -0.255 4.085 4.340 -0.001 0.000 0.242 36 R C 2.204 178.498 176.300 -0.009 0.000 1.142 36 R CA 2.124 58.292 56.100 0.113 0.000 0.960 36 R CB -0.391 29.996 30.300 0.145 0.000 0.858 36 R HN 0.468 nan 8.270 nan 0.000 0.439 37 E N -0.500 119.681 120.200 -0.032 0.000 2.072 37 E HA -0.167 4.182 4.350 -0.001 0.000 0.190 37 E C 1.736 178.291 176.600 -0.074 0.000 0.982 37 E CA 1.292 57.669 56.400 -0.039 0.000 0.803 37 E CB -0.090 29.595 29.700 -0.025 0.000 0.755 37 E HN 0.366 nan 8.360 nan 0.000 0.453 38 I N 1.054 121.537 120.570 -0.146 0.000 2.676 38 I HA -0.145 4.024 4.170 -0.001 0.000 0.259 38 I C 2.092 178.067 176.117 -0.237 0.000 1.194 38 I CA 0.595 61.791 61.300 -0.174 0.000 1.473 38 I CB -0.039 37.831 38.000 -0.216 0.000 1.096 38 I HN 0.163 nan 8.210 nan 0.000 0.443 39 L N -0.104 120.909 121.223 -0.350 0.000 2.201 39 L HA -0.203 4.136 4.340 -0.001 0.000 0.212 39 L C 1.948 178.802 176.870 -0.027 0.000 1.105 39 L CA 1.514 56.237 54.840 -0.196 0.000 0.775 39 L CB -0.414 41.551 42.059 -0.156 0.000 0.913 39 L HN 0.378 nan 8.230 nan 0.000 0.440 40 N N -0.182 118.494 118.700 -0.040 0.000 2.135 40 N HA -0.129 4.611 4.740 -0.001 0.000 0.186 40 N C 1.788 177.305 175.510 0.012 0.000 1.027 40 N CA 1.085 54.128 53.050 -0.011 0.000 0.849 40 N CB -0.009 38.469 38.487 -0.015 0.000 1.002 40 N HN 0.240 nan 8.380 nan 0.000 0.425 41 I N 0.928 121.506 120.570 0.013 0.000 2.454 41 I HA -0.219 3.951 4.170 -0.001 0.000 0.254 41 I C 2.146 178.302 176.117 0.066 0.000 1.156 41 I CA 0.780 62.101 61.300 0.035 0.000 1.433 41 I CB -0.375 37.645 38.000 0.034 0.000 1.082 41 I HN 0.221 nan 8.210 nan 0.000 0.432 42 S N 0.043 115.805 115.700 0.103 0.000 2.387 42 S HA 0.210 4.680 4.470 -0.001 0.000 0.226 42 S C 1.169 175.824 174.600 0.092 0.000 1.026 42 S CA 0.538 58.826 58.200 0.146 0.000 0.972 42 S CB -0.202 63.175 63.200 0.295 0.000 0.814 42 S HN 0.576 nan 8.310 nan 0.000 0.477 43 G N 1.587 110.429 108.800 0.071 0.000 2.491 43 G HA2 0.318 4.278 3.960 -0.001 0.000 0.183 43 G HA3 0.318 4.278 3.960 -0.001 0.000 0.183 43 G C -3.030 171.890 174.900 0.033 0.000 1.221 43 G CA -0.427 44.700 45.100 0.045 0.000 0.996 43 G HN 0.337 nan 8.290 nan 0.000 0.474 44 P HA 0.373 nan 4.420 nan 0.000 0.272 44 P C -2.420 174.889 177.300 0.014 0.000 1.230 44 P CA -0.602 62.507 63.100 0.014 0.000 0.788 44 P CB 0.405 32.112 31.700 0.011 0.000 0.949 45 P HA 0.182 nan 4.420 nan 0.000 0.272 45 P C -0.431 176.866 177.300 -0.005 0.000 1.223 45 P CA -0.217 62.878 63.100 -0.007 0.000 0.784 45 P CB 0.717 32.404 31.700 -0.022 0.000 0.923 46 L N 2.406 123.622 121.223 -0.012 0.000 2.363 46 L HA 0.152 4.491 4.340 -0.001 0.000 0.286 46 L C 1.381 178.240 176.870 -0.019 0.000 1.106 46 L CA -0.374 54.458 54.840 -0.014 0.000 0.859 46 L CB -0.311 41.740 42.059 -0.013 0.000 1.223 46 L HN 0.430 nan 8.230 nan 0.000 0.446 47 K N 2.894 123.288 120.400 -0.009 0.000 2.140 47 K HA 0.604 4.924 4.320 -0.001 0.000 0.237 47 K C 0.288 176.885 176.600 -0.006 0.000 1.045 47 K CA -0.594 55.691 56.287 -0.003 0.000 0.896 47 K CB 0.371 32.874 32.500 0.005 0.000 1.122 47 K HN 0.369 nan 8.250 nan 0.000 0.503 48 A N 0.512 123.334 122.820 0.004 0.000 2.572 48 A HA 0.271 4.591 4.320 -0.001 0.000 0.256 48 A C 1.305 178.888 177.584 -0.001 0.000 1.041 48 A CA 0.674 52.712 52.037 0.002 0.000 0.790 48 A CB -1.895 17.116 19.000 0.019 0.000 0.947 48 A HN 1.353 nan 8.150 nan 0.000 0.518 49 G N 1.903 110.695 108.800 -0.014 0.000 2.203 49 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.263 49 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.263 49 G C 0.285 175.178 174.900 -0.012 0.000 1.012 49 G CA 0.816 45.909 45.100 -0.011 0.000 0.749 49 G HN 0.777 nan 8.290 nan 0.000 0.512 50 K N -0.250 120.139 120.400 -0.018 0.000 2.123 50 K HA 0.727 5.046 4.320 -0.001 0.000 0.248 50 K C -0.131 176.448 176.600 -0.035 0.000 0.969 50 K CA -0.238 56.036 56.287 -0.021 0.000 0.882 50 K CB 1.578 34.069 32.500 -0.015 0.000 1.080 50 K HN 0.100 nan 8.250 nan 0.000 0.441 51 T N 1.289 115.815 114.554 -0.047 0.000 2.909 51 T HA 0.489 4.838 4.350 -0.001 0.000 0.299 51 T C -1.148 173.481 174.700 -0.118 0.000 1.073 51 T CA -0.642 61.414 62.100 -0.074 0.000 0.999 51 T CB 1.831 70.658 68.868 -0.069 0.000 1.098 51 T HN 0.468 nan 8.240 nan 0.000 0.477 52 R N 1.315 121.700 120.500 -0.193 0.000 2.515 52 R HA 0.511 4.851 4.340 -0.001 0.000 0.278 52 R C -1.434 174.452 176.300 -0.690 0.000 1.107 52 R CA -0.467 55.407 56.100 -0.376 0.000 0.945 52 R CB 1.572 31.693 30.300 -0.299 0.000 1.219 52 R HN 0.641 nan 8.270 nan 0.000 0.434 53 T N 4.313 118.429 114.554 -0.729 0.000 2.771 53 T HA 0.482 4.832 4.350 -0.001 0.000 0.281 53 T C -0.984 173.072 174.700 -1.073 0.000 0.982 53 T CA -0.196 61.431 62.100 -0.788 0.000 0.978 53 T CB 0.475 69.026 68.868 -0.528 0.000 0.930 53 T HN 0.230 nan 8.240 nan 0.000 0.447 54 F N 2.997 122.702 119.950 -0.409 0.000 2.366 54 F HA 0.425 4.952 4.527 -0.000 0.000 0.366 54 F C -0.324 175.300 175.800 -0.294 0.000 1.096 54 F CA -1.652 56.171 58.000 -0.295 0.000 1.060 54 F CB 0.350 39.294 39.000 -0.093 0.000 1.282 54 F HN 0.492 nan 8.300 nan 0.000 0.450 55 Y N 0.519 120.919 120.300 0.165 0.000 2.346 55 Y HA 0.443 4.993 4.550 -0.000 0.000 0.330 55 Y C 1.398 177.392 175.900 0.157 0.000 1.178 55 Y CA -0.386 57.794 58.100 0.134 0.000 1.331 55 Y CB 0.815 39.325 38.460 0.083 0.000 1.253 55 Y HN 0.847 nan 8.280 nan 0.000 0.529 56 G N 1.919 110.914 108.800 0.325 0.000 2.187 56 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.261 56 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.261 56 G C 0.810 175.840 174.900 0.216 0.000 1.000 56 G CA 0.644 45.880 45.100 0.227 0.000 0.718 56 G HN 0.693 nan 8.290 nan 0.000 0.519 57 L N -1.215 120.179 121.223 0.285 0.000 2.141 57 L HA 0.088 4.427 4.340 -0.001 0.000 0.209 57 L C 1.415 178.486 176.870 0.335 0.000 1.094 57 L CA 1.218 56.240 54.840 0.303 0.000 0.763 57 L CB -0.151 42.163 42.059 0.425 0.000 0.908 57 L HN 0.510 nan 8.230 nan 0.000 0.437 58 H N -0.720 118.553 119.070 0.338 0.000 2.717 58 H HA 0.131 4.687 4.556 -0.001 0.000 0.366 58 H C 0.138 175.589 175.328 0.205 0.000 1.132 58 H CA -0.474 55.756 56.048 0.304 0.000 1.180 58 H CB 2.063 32.192 29.762 0.612 0.000 1.678 58 H HN -0.081 nan 8.280 nan 0.000 0.537 59 E N 1.548 121.398 120.200 -0.583 0.000 2.219 59 E HA -0.182 4.168 4.350 -0.001 0.000 0.198 59 E C 0.766 177.260 176.600 -0.176 0.000 0.998 59 E CA 1.813 57.995 56.400 -0.363 0.000 0.818 59 E CB 0.226 29.648 29.700 -0.464 0.000 0.741 59 E HN 0.585 nan 8.360 nan 0.000 0.477 60 D N -1.774 118.578 120.400 -0.079 0.000 2.500 60 D HA 0.031 4.670 4.640 -0.001 0.000 0.217 60 D C -0.722 175.277 176.300 -0.501 0.000 1.159 60 D CA -0.154 53.724 54.000 -0.204 0.000 0.828 60 D CB 0.303 40.991 40.800 -0.186 0.000 1.039 60 D HN -0.012 nan 8.370 nan 0.000 0.512 61 F N 0.389 120.555 119.950 0.359 0.000 2.622 61 F HA 0.402 4.929 4.527 -0.001 0.000 0.338 61 F C -1.890 174.039 175.800 0.215 0.000 1.334 61 F CA -2.168 55.978 58.000 0.245 0.000 1.179 61 F CB 1.708 40.854 39.000 0.244 0.000 1.471 61 F HN -0.169 nan 8.300 nan 0.000 0.576 62 P HA -0.080 nan 4.420 nan 0.000 0.215 62 P C -0.015 177.465 177.300 0.300 0.000 1.157 62 P CA 1.279 64.524 63.100 0.241 0.000 0.868 62 P CB 0.306 32.104 31.700 0.164 0.000 0.788 63 S N -0.483 115.370 115.700 0.256 0.000 2.437 63 S HA 0.433 4.902 4.470 -0.001 0.000 0.305 63 S C -0.470 174.164 174.600 0.056 0.000 1.109 63 S CA -0.597 57.703 58.200 0.167 0.000 1.099 63 S CB 1.451 64.770 63.200 0.198 0.000 1.004 63 S HN -0.265 nan 8.310 nan 0.000 0.475 64 V N 4.277 124.163 119.914 -0.047 0.000 2.376 64 V HA 0.318 4.438 4.120 -0.001 0.000 0.287 64 V C -0.397 175.604 176.094 -0.155 0.000 1.015 64 V CA -0.676 61.544 62.300 -0.134 0.000 0.834 64 V CB 1.581 33.304 31.823 -0.167 0.000 1.001 64 V HN 0.726 nan 8.190 nan 0.000 0.428 65 V N 6.072 125.884 119.914 -0.170 0.000 2.406 65 V HA 0.374 4.493 4.120 -0.001 0.000 0.272 65 V C 0.129 176.154 176.094 -0.115 0.000 1.043 65 V CA -0.520 61.676 62.300 -0.173 0.000 0.915 65 V CB 1.506 33.248 31.823 -0.137 0.000 0.988 65 V HN 0.560 nan 8.190 nan 0.000 0.466 66 V N 6.298 126.186 119.914 -0.044 0.000 2.394 66 V HA 0.508 4.628 4.120 -0.001 0.000 0.282 66 V C 0.109 176.196 176.094 -0.012 0.000 1.031 66 V CA -0.412 61.916 62.300 0.047 0.000 0.881 66 V CB 1.634 33.618 31.823 0.268 0.000 0.982 66 V HN 0.778 nan 8.190 nan 0.000 0.451 67 V N 2.242 122.133 119.914 -0.038 0.000 2.815 67 V HA 0.974 5.094 4.120 -0.001 0.000 0.314 67 V C 0.445 176.496 176.094 -0.072 0.000 1.064 67 V CA -0.527 61.739 62.300 -0.057 0.000 0.952 67 V CB 1.748 33.531 31.823 -0.066 0.000 1.020 67 V HN 0.874 nan 8.190 nan 0.000 0.439 68 G N 2.216 110.976 108.800 -0.066 0.000 2.355 68 G HA2 0.513 4.472 3.960 -0.001 0.000 0.276 68 G HA3 0.513 4.472 3.960 -0.001 0.000 0.276 68 G C 0.095 174.937 174.900 -0.096 0.000 1.198 68 G CA -0.574 44.480 45.100 -0.077 0.000 0.876 68 G HN 0.900 nan 8.290 nan 0.000 0.478 69 L N 2.437 123.568 121.223 -0.153 0.000 2.693 69 L HA 0.276 4.615 4.340 -0.001 0.000 0.235 69 L C 1.723 178.595 176.870 0.004 0.000 1.127 69 L CA 0.407 55.161 54.840 -0.143 0.000 0.914 69 L CB -0.537 41.293 42.059 -0.382 0.000 1.193 69 L HN 0.916 nan 8.230 nan 0.000 0.502 70 G N 1.429 110.248 108.800 0.032 0.000 2.562 70 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.250 70 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.250 70 G C -0.394 174.629 174.900 0.204 0.000 1.269 70 G CA -0.415 44.740 45.100 0.092 0.000 0.919 70 G HN 0.211 nan 8.290 nan 0.000 0.574 71 K N 1.118 121.602 120.400 0.139 0.000 2.379 71 K HA 0.469 4.789 4.320 -0.001 0.000 0.284 71 K C 1.298 177.956 176.600 0.096 0.000 1.044 71 K CA 0.257 56.605 56.287 0.101 0.000 0.974 71 K CB 1.028 33.551 32.500 0.037 0.000 0.962 71 K HN 0.558 nan 8.250 nan 0.000 0.474 72 K N 0.460 120.804 120.400 -0.094 0.000 2.059 72 K HA -0.189 4.131 4.320 -0.001 0.000 0.212 72 K C 1.265 177.761 176.600 -0.173 0.000 1.050 72 K CA 2.209 58.221 56.287 -0.458 0.000 0.927 72 K CB -0.316 31.782 32.500 -0.670 0.000 0.714 72 K HN 0.810 nan 8.250 nan 0.000 0.447 73 T N -1.494 112.994 114.554 -0.110 0.000 3.278 73 T HA 0.450 4.800 4.350 -0.001 0.000 0.251 73 T C 0.378 175.060 174.700 -0.029 0.000 1.039 73 T CA -0.347 61.718 62.100 -0.059 0.000 0.935 73 T CB -0.049 68.783 68.868 -0.060 0.000 1.034 73 T HN 0.186 nan 8.240 nan 0.000 0.575 74 A N 0.633 123.451 122.820 -0.004 0.000 2.548 74 A HA 0.616 4.935 4.320 -0.001 0.000 0.247 74 A C 0.921 178.460 177.584 -0.074 0.000 1.067 74 A CA 0.119 52.153 52.037 -0.006 0.000 0.757 74 A CB -0.267 18.754 19.000 0.035 0.000 0.996 74 A HN 0.698 nan 8.150 nan 0.000 0.504 75 G N 0.910 109.611 108.800 -0.165 0.000 3.166 75 G HA2 0.521 4.481 3.960 -0.001 0.000 0.267 75 G HA3 0.521 4.481 3.960 -0.001 0.000 0.267 75 G C -0.521 174.116 174.900 -0.437 0.000 1.256 75 G CA -0.960 43.882 45.100 -0.429 0.000 0.859 75 G HN 0.606 nan 8.290 nan 0.000 0.590 76 I N 1.468 121.805 120.570 -0.389 0.000 2.845 76 I HA 0.060 4.229 4.170 -0.001 0.000 0.296 76 I C -0.026 176.091 176.117 -0.000 0.000 1.216 76 I CA 0.399 61.629 61.300 -0.117 0.000 1.438 76 I CB 0.574 38.552 38.000 -0.037 0.000 1.342 76 I HN 0.194 nan 8.210 nan 0.000 0.577 77 D N 5.226 125.696 120.400 0.116 0.000 2.303 77 D HA 0.182 4.822 4.640 -0.001 0.000 0.236 77 D C 0.664 177.016 176.300 0.086 0.000 1.068 77 D CA -0.386 53.685 54.000 0.119 0.000 0.830 77 D CB 1.306 42.240 40.800 0.224 0.000 1.109 77 D HN 0.448 nan 8.370 nan 0.000 0.496 78 E N 1.407 121.646 120.200 0.063 0.000 2.268 78 E HA -0.145 4.204 4.350 -0.001 0.000 0.195 78 E C 1.214 177.854 176.600 0.066 0.000 0.995 78 E CA 1.104 57.547 56.400 0.071 0.000 0.836 78 E CB 0.339 30.073 29.700 0.057 0.000 0.763 78 E HN 0.378 nan 8.360 nan 0.000 0.491 79 Q N -0.206 119.612 119.800 0.030 0.000 2.259 79 Q HA 0.042 4.382 4.340 -0.001 0.000 0.201 79 Q C 1.485 177.442 176.000 -0.072 0.000 0.938 79 Q CA 0.792 56.596 55.803 0.001 0.000 0.872 79 Q CB 0.239 28.968 28.738 -0.015 0.000 0.971 79 Q HN 0.180 nan 8.270 nan 0.000 0.494 80 E N 0.799 120.886 120.200 -0.188 0.000 2.442 80 E HA 0.038 4.388 4.350 -0.001 0.000 0.195 80 E C -0.400 175.885 176.600 -0.524 0.000 1.030 80 E CA -0.057 56.003 56.400 -0.566 0.000 0.869 80 E CB -0.227 28.812 29.700 -1.103 0.000 0.857 80 E HN 0.444 nan 8.360 nan 0.000 0.505 81 N N 0.829 119.462 118.700 -0.111 0.000 2.714 81 N HA -0.181 4.558 4.740 -0.001 0.000 0.253 81 N C -0.936 174.647 175.510 0.122 0.000 1.024 81 N CA 0.602 53.709 53.050 0.094 0.000 0.726 81 N CB -1.007 37.663 38.487 0.305 0.000 0.908 81 N HN 0.249 nan 8.380 nan 0.000 0.542 82 W N -1.130 120.188 121.300 0.030 0.000 2.961 82 W HA 0.510 5.170 4.660 -0.001 0.000 0.368 82 W C -0.732 175.807 176.519 0.034 0.000 1.213 82 W CA -1.486 55.867 57.345 0.014 0.000 1.173 82 W CB 0.222 29.708 29.460 0.043 0.000 1.487 82 W HN 0.054 nan 8.180 nan 0.000 0.585 83 H N 1.267 120.413 119.070 0.126 0.000 2.604 83 H HA 0.214 4.770 4.556 -0.001 0.000 0.306 83 H C 1.206 176.390 175.328 -0.240 0.000 1.075 83 H CA 0.495 56.533 56.048 -0.017 0.000 1.357 83 H CB 1.533 31.248 29.762 -0.078 0.000 1.426 83 H HN 0.653 nan 8.280 nan 0.000 0.470 84 E N 3.061 123.204 120.200 -0.095 0.000 2.112 84 E HA -0.091 4.259 4.350 -0.001 0.000 0.190 84 E C 1.979 178.538 176.600 -0.068 0.000 0.979 84 E CA 0.855 57.132 56.400 -0.205 0.000 0.814 84 E CB -0.090 29.640 29.700 0.050 0.000 0.762 84 E HN 1.007 nan 8.360 nan 0.000 0.460 85 G N 1.808 110.724 108.800 0.192 0.000 2.514 85 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.217 85 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.217 85 G C 1.542 176.436 174.900 -0.009 0.000 1.198 85 G CA 1.217 46.411 45.100 0.156 0.000 0.780 85 G HN 0.218 nan 8.290 nan 0.000 0.565 86 K N 0.122 120.461 120.400 -0.100 0.000 2.089 86 K HA -0.143 4.177 4.320 -0.001 0.000 0.210 86 K C 2.436 178.857 176.600 -0.299 0.000 1.048 86 K CA 1.480 57.604 56.287 -0.272 0.000 0.926 86 K CB -0.106 32.164 32.500 -0.382 0.000 0.714 86 K HN 0.218 nan 8.250 nan 0.000 0.448 87 E N 0.556 120.552 120.200 -0.340 0.000 2.150 87 E HA -0.116 4.234 4.350 -0.001 0.000 0.193 87 E C 1.713 178.168 176.600 -0.241 0.000 0.985 87 E CA 0.757 56.912 56.400 -0.407 0.000 0.814 87 E CB -0.145 29.089 29.700 -0.777 0.000 0.752 87 E HN 0.332 nan 8.360 nan 0.000 0.466 88 N N 0.785 119.385 118.700 -0.168 0.000 2.106 88 N HA -0.096 4.643 4.740 -0.001 0.000 0.188 88 N C 2.156 177.607 175.510 -0.097 0.000 1.029 88 N CA 0.821 53.819 53.050 -0.086 0.000 0.848 88 N CB -0.272 38.197 38.487 -0.031 0.000 1.007 88 N HN 0.193 nan 8.380 nan 0.000 0.423 89 I N 1.336 121.833 120.570 -0.123 0.000 2.286 89 I HA -0.217 3.952 4.170 -0.001 0.000 0.248 89 I C 2.430 178.440 176.117 -0.179 0.000 1.115 89 I CA 0.979 62.199 61.300 -0.133 0.000 1.392 89 I CB -0.097 37.825 38.000 -0.130 0.000 1.065 89 I HN 0.067 nan 8.210 nan 0.000 0.418 90 R N 0.719 121.048 120.500 -0.286 0.000 2.062 90 R HA -0.079 4.261 4.340 -0.001 0.000 0.231 90 R C 2.490 178.683 176.300 -0.178 0.000 1.136 90 R CA 1.506 57.344 56.100 -0.437 0.000 0.948 90 R CB -0.570 29.069 30.300 -1.101 0.000 0.845 90 R HN 0.340 nan 8.270 nan 0.000 0.430 91 A N 1.194 124.008 122.820 -0.010 0.000 1.972 91 A HA -0.080 4.240 4.320 -0.001 0.000 0.219 91 A C 2.311 179.915 177.584 0.034 0.000 1.169 91 A CA 1.671 53.786 52.037 0.130 0.000 0.635 91 A CB -0.484 18.589 19.000 0.122 0.000 0.810 91 A HN 0.414 nan 8.150 nan 0.000 0.446 92 A N -0.337 122.469 122.820 -0.023 0.000 1.874 92 A HA 0.078 4.397 4.320 -0.001 0.000 0.214 92 A C 2.242 179.801 177.584 -0.041 0.000 1.189 92 A CA 1.767 53.781 52.037 -0.038 0.000 0.615 92 A CB -0.990 17.972 19.000 -0.064 0.000 0.830 92 A HN 1.180 nan 8.150 nan 0.000 0.443 93 V N -2.737 117.146 119.914 -0.052 0.000 3.306 93 V HA 0.293 4.412 4.120 -0.001 0.000 0.264 93 V C 2.159 178.246 176.094 -0.012 0.000 1.149 93 V CA 1.348 63.627 62.300 -0.034 0.000 1.143 93 V CB -0.605 31.204 31.823 -0.023 0.000 0.767 93 V HN 0.476 nan 8.190 nan 0.000 0.476 94 A N 0.987 123.808 122.820 0.002 0.000 1.898 94 A HA 0.128 4.448 4.320 -0.001 0.000 0.216 94 A C 2.532 180.136 177.584 0.033 0.000 1.181 94 A CA 2.029 54.092 52.037 0.042 0.000 0.620 94 A CB -1.070 17.997 19.000 0.112 0.000 0.819 94 A HN 0.995 nan 8.150 nan 0.000 0.442 95 A N -0.343 122.489 122.820 0.021 0.000 1.883 95 A HA 0.059 4.379 4.320 -0.001 0.000 0.217 95 A C 2.417 179.995 177.584 -0.011 0.000 1.186 95 A CA 2.146 54.187 52.037 0.005 0.000 0.624 95 A CB -1.448 17.549 19.000 -0.004 0.000 0.822 95 A HN 0.718 nan 8.150 nan 0.000 0.444 96 G N -1.019 107.769 108.800 -0.020 0.000 2.433 96 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.216 96 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.216 96 G C 1.596 176.485 174.900 -0.018 0.000 1.186 96 G CA 1.277 46.356 45.100 -0.035 0.000 0.779 96 G HN 0.530 nan 8.290 nan 0.000 0.543 97 C N 0.213 119.514 119.300 0.003 0.000 2.422 97 C HA 0.058 4.518 4.460 -0.001 0.000 0.279 97 C C 2.871 177.873 174.990 0.021 0.000 1.305 97 C CA 0.495 59.526 59.018 0.021 0.000 1.757 97 C CB -0.833 26.931 27.740 0.041 0.000 1.962 97 C HN 0.417 nan 8.230 nan 0.000 0.499 98 R N 0.211 120.720 120.500 0.016 0.000 2.236 98 R HA -0.091 4.249 4.340 -0.001 0.000 0.208 98 R C 2.173 178.477 176.300 0.006 0.000 1.036 98 R CA 0.806 56.915 56.100 0.014 0.000 1.001 98 R CB -0.172 30.137 30.300 0.015 0.000 0.896 98 R HN 0.509 nan 8.270 nan 0.000 0.464 99 Q N 0.822 120.621 119.800 -0.002 0.000 2.165 99 Q HA -0.013 4.326 4.340 -0.001 0.000 0.197 99 Q C 1.864 177.868 176.000 0.006 0.000 0.952 99 Q CA 1.122 56.920 55.803 -0.008 0.000 0.848 99 Q CB 0.101 28.818 28.738 -0.036 0.000 0.931 99 Q HN 0.084 nan 8.270 nan 0.000 0.470 100 I N 1.053 121.627 120.570 0.007 0.000 2.118 100 I HA -0.308 3.861 4.170 -0.001 0.000 0.241 100 I C 2.398 178.534 176.117 0.033 0.000 1.070 100 I CA 1.866 63.182 61.300 0.026 0.000 1.327 100 I CB -1.310 36.706 38.000 0.026 0.000 1.034 100 I HN 0.513 nan 8.210 nan 0.000 0.405 101 Q N 0.238 120.054 119.800 0.026 0.000 2.135 101 Q HA -0.286 4.053 4.340 -0.001 0.000 0.204 101 Q C 1.806 177.816 176.000 0.017 0.000 0.981 101 Q CA 2.229 58.044 55.803 0.021 0.000 0.856 101 Q CB -0.065 28.683 28.738 0.017 0.000 0.902 101 Q HN 0.435 nan 8.270 nan 0.000 0.425 102 D N -0.131 120.279 120.400 0.016 0.000 2.224 102 D HA -0.086 4.553 4.640 -0.001 0.000 0.205 102 D C 1.637 177.951 176.300 0.022 0.000 0.965 102 D CA 0.552 54.560 54.000 0.014 0.000 0.852 102 D CB -0.068 40.739 40.800 0.012 0.000 0.947 102 D HN 0.290 nan 8.370 nan 0.000 0.494 103 L N 0.221 121.467 121.223 0.037 0.000 2.551 103 L HA 0.034 4.373 4.340 -0.001 0.000 0.228 103 L C 0.213 177.104 176.870 0.033 0.000 1.153 103 L CA 0.587 55.457 54.840 0.050 0.000 0.851 103 L CB -0.365 41.751 42.059 0.095 0.000 0.959 103 L HN 0.080 nan 8.230 nan 0.000 0.451 104 E N -0.305 119.910 120.200 0.025 0.000 2.553 104 E HA -0.223 4.127 4.350 -0.001 0.000 0.264 104 E C -0.198 176.416 176.600 0.023 0.000 1.068 104 E CA 0.122 56.532 56.400 0.017 0.000 0.774 104 E CB -1.715 27.989 29.700 0.007 0.000 1.349 104 E HN 0.422 nan 8.360 nan 0.000 0.404 105 I N 1.671 122.261 120.570 0.035 0.000 2.312 105 I HA 0.113 4.283 4.170 -0.001 0.000 0.291 105 I C -0.814 175.326 176.117 0.037 0.000 1.031 105 I CA -1.917 59.408 61.300 0.042 0.000 1.293 105 I CB 0.669 38.706 38.000 0.061 0.000 1.403 105 I HN -0.072 nan 8.210 nan 0.000 0.484 106 P HA -0.004 nan 4.420 nan 0.000 0.237 106 P C 0.315 177.636 177.300 0.036 0.000 1.178 106 P CA 0.575 63.691 63.100 0.027 0.000 0.766 106 P CB 0.636 32.347 31.700 0.018 0.000 0.876 107 S N -1.339 114.389 115.700 0.045 0.000 2.618 107 S HA 0.641 5.111 4.470 -0.001 0.000 0.277 107 S C -1.536 173.108 174.600 0.072 0.000 1.138 107 S CA -0.648 57.585 58.200 0.055 0.000 0.844 107 S CB 2.103 65.331 63.200 0.047 0.000 1.127 107 S HN -0.098 nan 8.310 nan 0.000 0.474 108 V N 1.872 121.835 119.914 0.081 0.000 3.036 108 V HA 0.503 4.622 4.120 -0.001 0.000 0.288 108 V C -1.867 174.274 176.094 0.078 0.000 1.407 108 V CA -0.461 61.892 62.300 0.088 0.000 0.983 108 V CB 2.139 34.002 31.823 0.066 0.000 1.128 108 V HN 0.939 nan 8.190 nan 0.000 0.439 109 E N 3.502 123.748 120.200 0.077 0.000 2.151 109 E HA 0.633 4.983 4.350 -0.001 0.000 0.275 109 E C -1.287 175.289 176.600 -0.040 0.000 0.936 109 E CA -0.554 55.869 56.400 0.037 0.000 0.777 109 E CB 2.232 32.026 29.700 0.156 0.000 1.108 109 E HN 0.559 nan 8.360 nan 0.000 0.401 110 V N 3.111 122.986 119.914 -0.065 0.000 2.483 110 V HA 0.077 4.197 4.120 -0.001 0.000 0.295 110 V C -0.001 176.054 176.094 -0.065 0.000 1.035 110 V CA -0.876 61.412 62.300 -0.020 0.000 0.896 110 V CB 1.762 33.742 31.823 0.263 0.000 0.986 110 V HN 0.651 nan 8.190 nan 0.000 0.447 111 D N 7.111 127.444 120.400 -0.110 0.000 2.401 111 D HA 0.120 4.759 4.640 -0.001 0.000 0.254 111 D C -1.108 175.198 176.300 0.011 0.000 1.192 111 D CA -1.696 52.233 54.000 -0.118 0.000 0.885 111 D CB 1.818 42.518 40.800 -0.167 0.000 1.147 111 D HN 0.256 nan 8.370 nan 0.000 0.478 112 P HA -0.166 nan 4.420 nan 0.000 0.218 112 P C 0.716 178.060 177.300 0.073 0.000 1.146 112 P CA 0.606 63.769 63.100 0.103 0.000 0.820 112 P CB -0.124 31.617 31.700 0.070 0.000 0.778 113 C N -2.678 116.644 119.300 0.035 0.000 4.297 113 C HA -0.085 4.375 4.460 -0.001 0.000 0.290 113 C C 1.743 176.775 174.990 0.070 0.000 1.444 113 C CA 0.852 59.884 59.018 0.024 0.000 1.982 113 C CB -2.653 25.074 27.740 -0.022 0.000 1.276 113 C HN 0.642 nan 8.230 nan 0.000 0.797 114 G N -0.619 108.224 108.800 0.071 0.000 2.241 114 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.244 114 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.244 114 G C -0.295 174.614 174.900 0.015 0.000 0.998 114 G CA 0.588 45.727 45.100 0.065 0.000 0.621 114 G HN 0.793 nan 8.290 nan 0.000 0.519 115 D N 0.283 120.677 120.400 -0.009 0.000 2.364 115 D HA 0.601 5.240 4.640 -0.001 0.000 0.251 115 D C 1.396 177.670 176.300 -0.043 0.000 1.282 115 D CA 0.432 54.394 54.000 -0.063 0.000 0.927 115 D CB 0.611 41.331 40.800 -0.133 0.000 1.267 115 D HN 0.398 nan 8.370 nan 0.000 0.531 116 A N 2.969 125.800 122.820 0.018 0.000 2.032 116 A HA -0.237 4.082 4.320 -0.001 0.000 0.221 116 A C 1.916 179.512 177.584 0.020 0.000 1.165 116 A CA 1.601 53.717 52.037 0.133 0.000 0.645 116 A CB -0.239 18.878 19.000 0.194 0.000 0.807 116 A HN 0.634 nan 8.150 nan 0.000 0.453 117 Q N -0.711 119.008 119.800 -0.136 0.000 2.016 117 Q HA -0.081 4.258 4.340 -0.001 0.000 0.200 117 Q C 2.267 178.063 176.000 -0.341 0.000 0.978 117 Q CA 1.467 57.098 55.803 -0.288 0.000 0.833 117 Q CB -0.356 28.174 28.738 -0.347 0.000 0.895 117 Q HN 0.604 nan 8.270 nan 0.000 0.427 118 A N 0.704 123.344 122.820 -0.301 0.000 1.978 118 A HA -0.177 4.143 4.320 -0.001 0.000 0.220 118 A C 2.207 179.612 177.584 -0.298 0.000 1.170 118 A CA 1.752 53.597 52.037 -0.319 0.000 0.636 118 A CB -0.902 17.928 19.000 -0.284 0.000 0.810 118 A HN 0.565 nan 8.150 nan 0.000 0.448 119 A N -0.137 122.554 122.820 -0.215 0.000 1.855 119 A HA 0.181 4.501 4.320 -0.001 0.000 0.215 119 A C 2.519 179.868 177.584 -0.392 0.000 1.191 119 A CA 2.063 54.012 52.037 -0.147 0.000 0.613 119 A CB -1.096 17.972 19.000 0.114 0.000 0.829 119 A HN 1.106 nan 8.150 nan 0.000 0.442 120 A N -0.413 121.918 122.820 -0.816 0.000 2.015 120 A HA -0.123 4.197 4.320 -0.001 0.000 0.219 120 A C 1.846 179.063 177.584 -0.610 0.000 1.163 120 A CA 1.619 52.919 52.037 -1.228 0.000 0.646 120 A CB -0.455 17.601 19.000 -1.573 0.000 0.806 120 A HN 0.646 nan 8.150 nan 0.000 0.448 121 E N -0.753 119.175 120.200 -0.453 0.000 2.285 121 E HA -0.008 4.341 4.350 -0.001 0.000 0.194 121 E C 2.010 178.436 176.600 -0.290 0.000 0.997 121 E CA 0.512 56.721 56.400 -0.320 0.000 0.845 121 E CB -0.151 29.353 29.700 -0.328 0.000 0.782 121 E HN 0.611 nan 8.360 nan 0.000 0.491 122 G N 1.047 109.659 108.800 -0.313 0.000 2.408 122 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.213 122 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.213 122 G C 1.677 176.525 174.900 -0.086 0.000 1.177 122 G CA 0.562 45.529 45.100 -0.220 0.000 0.802 122 G HN 0.311 nan 8.290 nan 0.000 0.533 123 A N 0.128 122.886 122.820 -0.103 0.000 1.908 123 A HA 0.062 4.382 4.320 -0.001 0.000 0.218 123 A C 2.567 180.157 177.584 0.009 0.000 1.181 123 A CA 2.041 54.070 52.037 -0.013 0.000 0.627 123 A CB -0.580 18.446 19.000 0.043 0.000 0.818 123 A HN 0.259 nan 8.150 nan 0.000 0.445 124 V N -0.542 119.347 119.914 -0.042 0.000 2.331 124 V HA -0.110 4.010 4.120 -0.001 0.000 0.242 124 V C 2.409 178.541 176.094 0.063 0.000 1.034 124 V CA 1.318 63.621 62.300 0.006 0.000 1.027 124 V CB -0.663 31.123 31.823 -0.061 0.000 0.667 124 V HN 0.428 nan 8.190 nan 0.000 0.457 125 L N 1.228 122.485 121.223 0.057 0.000 2.083 125 L HA -0.032 4.308 4.340 -0.001 0.000 0.209 125 L C 2.569 179.544 176.870 0.174 0.000 1.083 125 L CA 2.257 57.177 54.840 0.134 0.000 0.752 125 L CB -1.994 40.190 42.059 0.209 0.000 0.899 125 L HN 0.381 nan 8.230 nan 0.000 0.433 126 G N -0.735 108.154 108.800 0.148 0.000 2.459 126 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.217 126 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.217 126 G C 1.693 176.655 174.900 0.104 0.000 1.183 126 G CA 0.731 45.908 45.100 0.129 0.000 0.776 126 G HN 0.370 nan 8.290 nan 0.000 0.552 127 L N -0.777 120.505 121.223 0.097 0.000 2.395 127 L HA 0.200 4.540 4.340 -0.001 0.000 0.218 127 L C 1.270 178.186 176.870 0.077 0.000 1.130 127 L CA -0.519 54.367 54.840 0.077 0.000 0.826 127 L CB -0.222 41.878 42.059 0.068 0.000 0.941 127 L HN 0.264 nan 8.230 nan 0.000 0.451 128 Y N 1.208 121.531 120.300 0.039 0.000 2.712 128 Y HA -0.141 4.409 4.550 -0.000 0.000 0.333 128 Y C 1.178 177.109 175.900 0.052 0.000 1.225 128 Y CA 0.758 58.885 58.100 0.045 0.000 1.499 128 Y CB 0.528 39.016 38.460 0.047 0.000 1.288 128 Y HN 0.073 nan 8.280 nan 0.000 0.575 129 E N 3.450 123.090 120.200 -0.933 0.000 2.713 129 E HA -0.006 4.344 4.350 -0.001 0.000 0.201 129 E C -1.257 175.049 176.600 -0.490 0.000 0.935 129 E CA 0.077 56.129 56.400 -0.579 0.000 1.273 129 E CB 0.574 30.105 29.700 -0.281 0.000 1.221 129 E HN 0.579 nan 8.360 nan 0.000 0.547 130 Y N 1.702 121.611 120.300 -0.651 0.000 2.969 130 Y HA -0.184 4.366 4.550 -0.000 0.000 0.087 130 Y C -0.491 175.326 175.900 -0.137 0.000 2.199 130 Y CA -0.020 57.936 58.100 -0.241 0.000 1.061 130 Y CB -1.555 36.890 38.460 -0.026 0.000 1.722 130 Y HN 0.131 nan 8.280 nan 0.000 0.316 131 D N 1.587 121.731 120.400 -0.426 0.000 2.354 131 D HA -0.006 4.633 4.640 -0.001 0.000 0.209 131 D C 1.261 177.349 176.300 -0.353 0.000 1.015 131 D CA 1.056 54.864 54.000 -0.319 0.000 0.867 131 D CB 0.194 40.873 40.800 -0.203 0.000 0.933 131 D HN 0.665 nan 8.370 nan 0.000 0.520 132 D N 0.071 120.162 120.400 -0.516 0.000 2.221 132 D HA -0.114 4.526 4.640 -0.001 0.000 0.204 132 D C 1.536 177.680 176.300 -0.261 0.000 0.982 132 D CA 0.770 54.559 54.000 -0.353 0.000 0.857 132 D CB 0.020 40.632 40.800 -0.313 0.000 0.934 132 D HN 0.317 nan 8.370 nan 0.000 0.475 133 L N -0.866 120.173 121.223 -0.307 0.000 2.808 133 L HA 0.245 4.585 4.340 -0.001 0.000 0.246 133 L C 0.364 177.167 176.870 -0.110 0.000 1.153 133 L CA -0.170 54.582 54.840 -0.146 0.000 0.956 133 L CB 0.308 42.320 42.059 -0.079 0.000 1.270 133 L HN -0.269 nan 8.230 nan 0.000 0.528 134 K N 1.713 122.031 120.400 -0.137 0.000 2.240 134 K HA 0.142 4.462 4.320 -0.001 0.000 0.271 134 K C 0.790 177.342 176.600 -0.080 0.000 1.018 134 K CA -0.244 55.987 56.287 -0.093 0.000 0.874 134 K CB 1.632 34.073 32.500 -0.099 0.000 1.098 134 K HN 0.115 nan 8.250 nan 0.000 0.458 135 Q N 3.113 122.880 119.800 -0.056 0.000 2.369 135 Q HA -0.095 4.245 4.340 -0.001 0.000 0.206 135 Q C -0.283 175.690 176.000 -0.045 0.000 0.963 135 Q CA 1.031 56.806 55.803 -0.047 0.000 0.894 135 Q CB -0.143 28.575 28.738 -0.034 0.000 0.965 135 Q HN 0.358 nan 8.270 nan 0.000 0.475 136 K N 1.271 121.644 120.400 -0.045 0.000 2.231 136 K HA 0.389 4.709 4.320 -0.001 0.000 0.275 136 K C -0.910 175.659 176.600 -0.052 0.000 1.105 136 K CA -0.430 55.832 56.287 -0.041 0.000 0.931 136 K CB 0.851 33.331 32.500 -0.033 0.000 1.296 136 K HN 0.022 nan 8.250 nan 0.000 0.446 137 R N 2.089 122.558 120.500 -0.052 0.000 2.778 137 R HA 0.316 4.655 4.340 -0.001 0.000 0.277 137 R C -0.454 175.817 176.300 -0.047 0.000 0.977 137 R CA -1.066 54.997 56.100 -0.062 0.000 0.950 137 R CB 1.815 32.073 30.300 -0.071 0.000 1.165 137 R HN 0.411 nan 8.270 nan 0.000 0.474 138 K N 0.363 120.734 120.400 -0.049 0.000 2.132 138 K HA 0.205 4.525 4.320 -0.001 0.000 0.240 138 K C -0.155 176.428 176.600 -0.028 0.000 1.036 138 K CA -0.356 55.911 56.287 -0.034 0.000 0.888 138 K CB 0.705 33.184 32.500 -0.035 0.000 1.071 138 K HN 0.178 nan 8.250 nan 0.000 0.502 139 V N 1.285 121.189 119.914 -0.016 0.000 2.924 139 V HA 0.016 4.136 4.120 -0.001 0.000 0.305 139 V C -0.292 175.797 176.094 -0.008 0.000 1.073 139 V CA -0.264 62.031 62.300 -0.010 0.000 1.098 139 V CB 1.486 33.309 31.823 0.000 0.000 1.000 139 V HN 0.437 nan 8.190 nan 0.000 0.484 140 V N 6.720 126.631 119.914 -0.004 0.000 2.304 140 V HA 0.461 4.580 4.120 -0.001 0.000 0.269 140 V C -0.212 175.892 176.094 0.016 0.000 1.036 140 V CA -0.228 62.072 62.300 0.001 0.000 0.840 140 V CB 1.494 33.315 31.823 -0.004 0.000 1.036 140 V HN 0.696 nan 8.190 nan 0.000 0.466 141 V N 6.578 126.507 119.914 0.025 0.000 2.394 141 V HA 0.612 4.732 4.120 -0.001 0.000 0.282 141 V C 0.245 176.371 176.094 0.054 0.000 1.031 141 V CA 0.214 62.537 62.300 0.038 0.000 0.881 141 V CB 1.846 33.692 31.823 0.039 0.000 0.982 141 V HN 0.968 nan 8.190 nan 0.000 0.451 142 S N 5.764 121.498 115.700 0.056 0.000 2.489 142 S HA 0.732 5.202 4.470 -0.001 0.000 0.277 142 S C 0.030 174.683 174.600 0.088 0.000 1.230 142 S CA 0.013 58.255 58.200 0.070 0.000 1.053 142 S CB 0.586 63.819 63.200 0.054 0.000 0.955 142 S HN 1.614 nan 8.310 nan 0.000 0.488 143 A N 6.042 128.938 122.820 0.127 0.000 2.293 143 A HA 0.565 4.884 4.320 -0.001 0.000 0.312 143 A C -0.182 177.540 177.584 0.230 0.000 1.309 143 A CA -0.755 51.389 52.037 0.178 0.000 0.839 143 A CB 0.450 19.582 19.000 0.220 0.000 1.155 143 A HN 0.805 nan 8.150 nan 0.000 0.501 144 K N 1.277 121.722 120.400 0.075 0.000 2.166 144 K HA 0.503 4.822 4.320 -0.001 0.000 0.245 144 K C -0.454 175.859 176.600 -0.478 0.000 0.967 144 K CA -0.947 55.276 56.287 -0.108 0.000 0.863 144 K CB 1.873 34.315 32.500 -0.097 0.000 1.107 144 K HN 0.583 nan 8.250 nan 0.000 0.436 145 L N 1.606 122.161 121.223 -1.113 0.000 2.483 145 L HA 0.003 4.343 4.340 -0.001 0.000 0.276 145 L C -0.220 176.355 176.870 -0.491 0.000 1.213 145 L CA 0.540 54.606 54.840 -1.289 0.000 0.843 145 L CB 0.078 41.354 42.059 -1.305 0.000 1.107 145 L HN 0.523 nan 8.230 nan 0.000 0.487 146 H N 3.940 122.753 119.070 -0.429 0.000 2.594 146 H HA 0.619 5.174 4.556 -0.001 0.000 0.304 146 H C 0.146 175.344 175.328 -0.217 0.000 1.068 146 H CA 0.535 56.431 56.048 -0.252 0.000 1.308 146 H CB 0.303 29.929 29.762 -0.228 0.000 1.409 146 H HN 0.975 nan 8.280 nan 0.000 0.460 147 G N 2.342 110.929 108.800 -0.356 0.000 2.434 147 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.671 147 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.671 147 G C 0.050 174.841 174.900 -0.180 0.000 1.280 147 G CA -0.138 44.821 45.100 -0.234 0.000 0.975 147 G HN 1.195 nan 8.290 nan 0.000 0.510 148 S N -1.903 113.725 115.700 -0.120 0.000 2.911 148 S HA 0.349 4.819 4.470 -0.001 0.000 0.261 148 S C 0.863 175.430 174.600 -0.055 0.000 1.021 148 S CA 0.852 58.998 58.200 -0.091 0.000 1.222 148 S CB 0.765 63.918 63.200 -0.079 0.000 1.171 148 S HN 0.660 nan 8.310 nan 0.000 0.669 149 E N 1.670 121.842 120.200 -0.047 0.000 2.024 149 E HA 0.042 4.391 4.350 -0.001 0.000 0.190 149 E C -0.155 176.439 176.600 -0.009 0.000 0.974 149 E CA 0.663 57.050 56.400 -0.023 0.000 0.810 149 E CB 0.029 29.720 29.700 -0.016 0.000 0.775 149 E HN 0.318 nan 8.360 nan 0.000 0.453 150 D N 0.432 120.831 120.400 -0.002 0.000 2.557 150 D HA 0.065 4.705 4.640 -0.001 0.000 0.236 150 D C 0.369 176.700 176.300 0.052 0.000 1.154 150 D CA 0.110 54.124 54.000 0.024 0.000 0.985 150 D CB 0.396 41.216 40.800 0.034 0.000 1.010 150 D HN 0.082 nan 8.370 nan 0.000 0.516 151 Q N 0.816 120.641 119.800 0.042 0.000 2.165 151 Q HA -0.054 4.286 4.340 -0.001 0.000 0.197 151 Q C 1.521 177.587 176.000 0.112 0.000 0.952 151 Q CA 0.611 56.456 55.803 0.070 0.000 0.848 151 Q CB 0.335 29.090 28.738 0.028 0.000 0.931 151 Q HN 0.566 nan 8.270 nan 0.000 0.470 152 E N 0.547 120.792 120.200 0.074 0.000 2.358 152 E HA -0.021 4.329 4.350 -0.001 0.000 0.195 152 E C 1.735 178.363 176.600 0.047 0.000 1.010 152 E CA 0.764 57.205 56.400 0.068 0.000 0.856 152 E CB -0.037 29.695 29.700 0.053 0.000 0.795 152 E HN 0.212 nan 8.360 nan 0.000 0.504 153 A N 2.050 124.891 122.820 0.035 0.000 1.897 153 A HA -0.121 4.199 4.320 -0.001 0.000 0.215 153 A C 1.893 179.471 177.584 -0.011 0.000 1.181 153 A CA 0.865 52.886 52.037 -0.026 0.000 0.620 153 A CB -1.195 17.784 19.000 -0.035 0.000 0.821 153 A HN 0.644 nan 8.150 nan 0.000 0.443 154 W N 0.648 121.906 121.300 -0.070 0.000 2.363 154 W HA -0.194 4.466 4.660 -0.001 0.000 0.296 154 W C 1.687 178.183 176.519 -0.039 0.000 1.212 154 W CA 2.209 59.519 57.345 -0.059 0.000 1.260 154 W CB -0.212 29.224 29.460 -0.039 0.000 1.131 154 W HN 0.407 nan 8.180 nan 0.000 0.530 155 Q N 0.391 120.273 119.800 0.136 0.000 2.311 155 Q HA -0.076 4.264 4.340 -0.001 0.000 0.203 155 Q C 2.308 178.304 176.000 -0.006 0.000 0.954 155 Q CA 1.193 57.040 55.803 0.073 0.000 0.885 155 Q CB -0.460 28.355 28.738 0.128 0.000 0.963 155 Q HN 0.197 nan 8.270 nan 0.000 0.471 156 R N -1.309 119.173 120.500 -0.030 0.000 2.115 156 R HA -0.025 4.314 4.340 -0.001 0.000 0.226 156 R C 1.904 178.158 176.300 -0.077 0.000 1.100 156 R CA 1.088 57.181 56.100 -0.012 0.000 0.980 156 R CB -0.262 29.956 30.300 -0.136 0.000 0.875 156 R HN 0.385 nan 8.270 nan 0.000 0.445 157 G N -0.184 108.465 108.800 -0.251 0.000 2.404 157 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.215 157 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.215 157 G C 1.344 176.093 174.900 -0.250 0.000 1.174 157 G CA 0.582 45.482 45.100 -0.332 0.000 0.780 157 G HN 0.163 nan 8.290 nan 0.000 0.537 158 V N 0.952 120.677 119.914 -0.315 0.000 2.392 158 V HA -0.129 3.991 4.120 -0.001 0.000 0.249 158 V C 2.650 178.703 176.094 -0.068 0.000 1.059 158 V CA 1.357 63.542 62.300 -0.192 0.000 1.051 158 V CB -0.337 31.395 31.823 -0.150 0.000 0.658 158 V HN 0.299 nan 8.190 nan 0.000 0.455 159 L N -0.794 120.422 121.223 -0.012 0.000 2.007 159 L HA -0.079 4.261 4.340 -0.001 0.000 0.205 159 L C 2.401 179.265 176.870 -0.009 0.000 1.073 159 L CA 2.228 57.070 54.840 0.003 0.000 0.744 159 L CB -1.109 40.980 42.059 0.051 0.000 0.898 159 L HN 0.272 nan 8.230 nan 0.000 0.435 160 F N 0.755 120.622 119.950 -0.138 0.000 2.091 160 F HA -0.217 4.309 4.527 -0.001 0.000 0.299 160 F C 2.685 178.412 175.800 -0.121 0.000 1.103 160 F CA 1.811 59.733 58.000 -0.130 0.000 1.228 160 F CB -1.022 37.886 39.000 -0.153 0.000 0.984 160 F HN 0.227 nan 8.300 nan 0.000 0.477 161 A N -1.206 121.645 122.820 0.051 0.000 1.930 161 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 161 A C 2.356 179.908 177.584 -0.053 0.000 1.175 161 A CA 1.896 53.922 52.037 -0.018 0.000 0.627 161 A CB -0.968 17.994 19.000 -0.063 0.000 0.815 161 A HN 0.316 nan 8.150 nan 0.000 0.443 162 S N -0.518 115.147 115.700 -0.059 0.000 2.428 162 S HA 0.003 4.473 4.470 -0.001 0.000 0.230 162 S C 1.988 176.524 174.600 -0.107 0.000 1.014 162 S CA 0.837 58.993 58.200 -0.074 0.000 0.957 162 S CB -0.367 62.801 63.200 -0.053 0.000 0.784 162 S HN 0.752 nan 8.310 nan 0.000 0.499 163 G N 0.757 109.484 108.800 -0.121 0.000 2.422 163 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.218 163 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.218 163 G C 1.261 176.080 174.900 -0.135 0.000 1.140 163 G CA 0.504 45.515 45.100 -0.148 0.000 0.775 163 G HN 0.460 nan 8.290 nan 0.000 0.545 164 Q N 0.205 119.935 119.800 -0.117 0.000 1.994 164 Q HA -0.091 4.249 4.340 -0.001 0.000 0.198 164 Q C 2.318 178.200 176.000 -0.197 0.000 0.976 164 Q CA 1.106 56.841 55.803 -0.113 0.000 0.828 164 Q CB -0.116 28.584 28.738 -0.065 0.000 0.894 164 Q HN 0.309 nan 8.270 nan 0.000 0.432 165 N N 0.775 119.308 118.700 -0.278 0.000 2.430 165 N HA -0.164 4.575 4.740 -0.001 0.000 0.186 165 N C 1.574 176.801 175.510 -0.472 0.000 1.032 165 N CA 0.643 53.345 53.050 -0.580 0.000 0.893 165 N CB -0.172 38.010 38.487 -0.509 0.000 0.957 165 N HN 0.320 nan 8.380 nan 0.000 0.442 166 L N 0.308 121.386 121.223 -0.241 0.000 2.068 166 L HA -0.008 4.331 4.340 -0.001 0.000 0.204 166 L C 2.004 178.789 176.870 -0.141 0.000 1.076 166 L CA 0.976 55.722 54.840 -0.158 0.000 0.753 166 L CB -0.447 41.531 42.059 -0.135 0.000 0.910 166 L HN 0.086 nan 8.230 nan 0.000 0.439 167 A N -0.033 122.710 122.820 -0.128 0.000 1.972 167 A HA -0.211 4.108 4.320 -0.001 0.000 0.219 167 A C 2.258 179.794 177.584 -0.080 0.000 1.169 167 A CA 1.295 53.290 52.037 -0.070 0.000 0.635 167 A CB -0.465 18.503 19.000 -0.053 0.000 0.810 167 A HN 0.419 nan 8.150 nan 0.000 0.446 168 R N -0.624 119.777 120.500 -0.165 0.000 2.073 168 R HA -0.123 4.216 4.340 -0.001 0.000 0.229 168 R C 2.511 178.744 176.300 -0.112 0.000 1.120 168 R CA 1.588 57.587 56.100 -0.170 0.000 0.967 168 R CB -0.309 29.773 30.300 -0.362 0.000 0.862 168 R HN 0.773 nan 8.270 nan 0.000 0.436 169 R N 0.391 120.819 120.500 -0.121 0.000 2.073 169 R HA -0.049 4.290 4.340 -0.001 0.000 0.229 169 R C 1.906 178.138 176.300 -0.113 0.000 1.120 169 R CA 0.989 57.066 56.100 -0.038 0.000 0.967 169 R CB -0.575 29.790 30.300 0.108 0.000 0.862 169 R HN -0.011 nan 8.270 nan 0.000 0.436 170 L N 0.764 121.953 121.223 -0.056 0.000 2.187 170 L HA -0.009 4.331 4.340 -0.001 0.000 0.213 170 L C 2.295 179.197 176.870 0.054 0.000 1.100 170 L CA 1.704 56.555 54.840 0.019 0.000 0.765 170 L CB -0.415 41.670 42.059 0.043 0.000 0.904 170 L HN 0.363 nan 8.230 nan 0.000 0.437 171 M N -1.753 117.842 119.600 -0.008 0.000 2.171 171 M HA -0.145 4.335 4.480 -0.001 0.000 0.260 171 M C 2.187 178.455 176.300 -0.053 0.000 1.087 171 M CA 1.240 56.531 55.300 -0.014 0.000 1.154 171 M CB -0.172 32.416 32.600 -0.019 0.000 1.331 171 M HN 0.032 nan 8.290 nan 0.000 0.431 172 E N 0.098 120.228 120.200 -0.116 0.000 2.085 172 E HA -0.094 4.255 4.350 -0.001 0.000 0.194 172 E C -0.091 176.330 176.600 -0.298 0.000 0.994 172 E CA 1.084 57.374 56.400 -0.183 0.000 0.801 172 E CB -0.176 29.384 29.700 -0.234 0.000 0.743 172 E HN 0.292 nan 8.360 nan 0.000 0.453 173 T N 4.133 118.401 114.554 -0.477 0.000 2.891 173 T HA -0.003 4.346 4.350 -0.001 0.000 0.296 173 T C -2.405 172.269 174.700 -0.042 0.000 1.025 173 T CA -0.598 61.313 62.100 -0.314 0.000 1.149 173 T CB 0.431 69.203 68.868 -0.159 0.000 1.007 173 T HN 0.181 nan 8.240 nan 0.000 0.528 174 P HA 0.060 nan 4.420 nan 0.000 0.261 174 P C 0.323 177.661 177.300 0.063 0.000 1.183 174 P CA -0.107 63.033 63.100 0.067 0.000 0.761 174 P CB 0.435 32.179 31.700 0.073 0.000 0.785 175 A N 3.962 126.832 122.820 0.084 0.000 2.259 175 A HA -0.172 4.148 4.320 -0.001 0.000 0.212 175 A C 1.733 179.353 177.584 0.059 0.000 1.178 175 A CA 1.061 53.161 52.037 0.105 0.000 0.734 175 A CB -1.040 18.094 19.000 0.223 0.000 0.774 175 A HN 0.664 nan 8.150 nan 0.000 0.481 176 N N 0.037 118.750 118.700 0.022 0.000 2.333 176 N HA -0.105 4.635 4.740 -0.001 0.000 0.178 176 N C 1.411 176.943 175.510 0.037 0.000 1.018 176 N CA 1.436 54.494 53.050 0.014 0.000 0.882 176 N CB -0.395 38.084 38.487 -0.013 0.000 0.984 176 N HN 0.414 nan 8.380 nan 0.000 0.434 177 E N 0.553 120.783 120.200 0.050 0.000 2.033 177 E HA 0.019 4.368 4.350 -0.001 0.000 0.189 177 E C 0.385 177.028 176.600 0.071 0.000 0.979 177 E CA 0.513 56.950 56.400 0.062 0.000 0.802 177 E CB -0.274 29.474 29.700 0.081 0.000 0.763 177 E HN 0.262 nan 8.360 nan 0.000 0.449 178 M N 2.430 122.076 119.600 0.078 0.000 3.042 178 M HA 0.143 4.623 4.480 -0.001 0.000 0.283 178 M C -0.643 175.721 176.300 0.106 0.000 1.473 178 M CA -0.030 55.329 55.300 0.099 0.000 1.583 178 M CB -0.505 32.149 32.600 0.091 0.000 1.221 178 M HN 0.111 nan 8.290 nan 0.000 0.518 179 T N 2.028 116.645 114.554 0.105 0.000 2.852 179 T HA 0.524 4.874 4.350 -0.001 0.000 0.281 179 T C -1.971 172.796 174.700 0.111 0.000 0.993 179 T CA -1.526 60.630 62.100 0.094 0.000 0.933 179 T CB 0.206 69.121 68.868 0.079 0.000 1.187 179 T HN 0.312 nan 8.240 nan 0.000 0.559 180 P HA 0.015 nan 4.420 nan 0.000 0.220 180 P C 1.295 178.673 177.300 0.130 0.000 1.148 180 P CA 0.927 64.082 63.100 0.091 0.000 0.803 180 P CB -0.131 31.622 31.700 0.088 0.000 0.782 181 T N -1.235 113.387 114.554 0.113 0.000 2.939 181 T HA 0.034 4.384 4.350 -0.001 0.000 0.254 181 T C 1.610 176.369 174.700 0.098 0.000 1.041 181 T CA 0.773 62.933 62.100 0.100 0.000 1.142 181 T CB -0.264 68.649 68.868 0.076 0.000 0.874 181 T HN 0.152 nan 8.240 nan 0.000 0.452 182 K N 0.633 121.094 120.400 0.101 0.000 2.148 182 K HA 0.031 4.351 4.320 -0.001 0.000 0.204 182 K C 1.997 178.646 176.600 0.082 0.000 1.050 182 K CA 0.870 57.204 56.287 0.079 0.000 0.942 182 K CB -0.316 32.230 32.500 0.075 0.000 0.724 182 K HN 0.296 nan 8.250 nan 0.000 0.446 183 F N 2.095 122.044 119.950 -0.002 0.000 2.102 183 F HA -0.187 4.339 4.527 -0.001 0.000 0.298 183 F C 2.225 178.009 175.800 -0.025 0.000 1.105 183 F CA 1.442 59.432 58.000 -0.017 0.000 1.239 183 F CB -0.370 38.617 39.000 -0.021 0.000 0.991 183 F HN -0.043 nan 8.300 nan 0.000 0.474 184 A N 0.078 122.997 122.820 0.165 0.000 1.940 184 A HA -0.203 4.117 4.320 -0.001 0.000 0.219 184 A C 2.156 179.708 177.584 -0.053 0.000 1.176 184 A CA 1.947 54.024 52.037 0.067 0.000 0.631 184 A CB -0.814 18.255 19.000 0.116 0.000 0.814 184 A HN 0.601 nan 8.150 nan 0.000 0.446 185 E N -0.585 119.592 120.200 -0.038 0.000 2.112 185 E HA -0.063 4.287 4.350 -0.001 0.000 0.190 185 E C 1.876 178.418 176.600 -0.095 0.000 0.979 185 E CA 1.007 57.376 56.400 -0.053 0.000 0.814 185 E CB -0.191 29.497 29.700 -0.019 0.000 0.762 185 E HN 0.727 nan 8.360 nan 0.000 0.460 186 I N 0.656 121.144 120.570 -0.137 0.000 2.353 186 I HA -0.187 3.983 4.170 -0.001 0.000 0.248 186 I C 2.332 178.314 176.117 -0.224 0.000 1.119 186 I CA 0.527 61.730 61.300 -0.161 0.000 1.417 186 I CB -0.060 37.834 38.000 -0.177 0.000 1.078 186 I HN -0.063 nan 8.210 nan 0.000 0.421 187 V N 1.103 120.818 119.914 -0.331 0.000 2.358 187 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 187 V C 2.570 178.543 176.094 -0.201 0.000 1.047 187 V CA 2.079 64.183 62.300 -0.328 0.000 1.035 187 V CB -0.671 30.888 31.823 -0.440 0.000 0.658 187 V HN 0.536 nan 8.190 nan 0.000 0.452 188 E N 1.112 121.213 120.200 -0.165 0.000 2.077 188 E HA -0.295 4.054 4.350 -0.001 0.000 0.193 188 E C 2.188 178.719 176.600 -0.115 0.000 0.989 188 E CA 1.802 58.122 56.400 -0.133 0.000 0.800 188 E CB -0.194 29.436 29.700 -0.118 0.000 0.746 188 E HN 0.846 nan 8.360 nan 0.000 0.452 189 E N 0.077 120.214 120.200 -0.105 0.000 2.150 189 E HA -0.180 4.170 4.350 -0.001 0.000 0.193 189 E C 1.745 178.294 176.600 -0.086 0.000 0.985 189 E CA 0.881 57.231 56.400 -0.083 0.000 0.814 189 E CB -0.245 29.414 29.700 -0.068 0.000 0.752 189 E HN 0.245 nan 8.360 nan 0.000 0.466 190 N N 0.515 119.149 118.700 -0.110 0.000 2.300 190 N HA -0.077 4.663 4.740 -0.001 0.000 0.179 190 N C 1.935 177.376 175.510 -0.115 0.000 1.016 190 N CA 0.665 53.648 53.050 -0.112 0.000 0.876 190 N CB 0.001 38.406 38.487 -0.138 0.000 0.979 190 N HN 0.211 nan 8.380 nan 0.000 0.432 191 L N 1.887 123.037 121.223 -0.122 0.000 2.109 191 L HA 0.001 4.340 4.340 -0.001 0.000 0.207 191 L C 1.931 178.753 176.870 -0.081 0.000 1.086 191 L CA 1.634 56.406 54.840 -0.114 0.000 0.760 191 L CB -0.226 41.766 42.059 -0.111 0.000 0.910 191 L HN -0.116 nan 8.230 nan 0.000 0.437 192 K N -1.134 119.221 120.400 -0.074 0.000 2.155 192 K HA -0.015 4.305 4.320 -0.001 0.000 0.203 192 K C 1.982 178.557 176.600 -0.041 0.000 1.052 192 K CA 1.247 57.503 56.287 -0.053 0.000 0.948 192 K CB -0.007 32.458 32.500 -0.059 0.000 0.728 192 K HN 0.277 nan 8.250 nan 0.000 0.448 193 S N 0.612 116.283 115.700 -0.049 0.000 2.453 193 S HA -0.071 4.399 4.470 -0.001 0.000 0.231 193 S C 1.902 176.478 174.600 -0.041 0.000 1.005 193 S CA 0.944 59.120 58.200 -0.040 0.000 0.949 193 S CB 0.028 63.203 63.200 -0.042 0.000 0.774 193 S HN 0.389 nan 8.310 nan 0.000 0.510 194 A N 0.508 123.293 122.820 -0.059 0.000 1.898 194 A HA 0.265 4.584 4.320 -0.001 0.000 0.214 194 A C 1.169 178.727 177.584 -0.044 0.000 1.183 194 A CA 0.828 52.820 52.037 -0.075 0.000 0.622 194 A CB -0.026 18.897 19.000 -0.129 0.000 0.824 194 A HN 0.388 nan 8.150 nan 0.000 0.444 195 S N -1.653 114.040 115.700 -0.011 0.000 2.592 195 S HA 0.388 4.857 4.470 -0.001 0.000 0.275 195 S C 0.405 175.038 174.600 0.055 0.000 1.169 195 S CA -0.121 58.113 58.200 0.055 0.000 0.958 195 S CB 0.745 64.046 63.200 0.167 0.000 1.095 195 S HN 0.766 nan 8.310 nan 0.000 0.471 196 I N 2.143 122.740 120.570 0.045 0.000 2.830 196 I HA 0.307 4.477 4.170 -0.001 0.000 0.263 196 I C 1.094 177.236 176.117 0.042 0.000 1.230 196 I CA 0.701 62.019 61.300 0.030 0.000 1.480 196 I CB -0.268 37.744 38.000 0.020 0.000 1.095 196 I HN 0.392 nan 8.210 nan 0.000 0.455 197 K N 2.514 122.954 120.400 0.068 0.000 3.077 197 K HA 0.127 4.446 4.320 -0.001 0.000 0.269 197 K C 0.130 176.768 176.600 0.062 0.000 0.973 197 K CA 0.418 56.732 56.287 0.045 0.000 1.162 197 K CB -0.985 31.522 32.500 0.012 0.000 1.079 197 K HN 0.679 nan 8.250 nan 0.000 0.456 198 T N -3.694 110.902 114.554 0.069 0.000 2.896 198 T HA 0.456 4.806 4.350 -0.001 0.000 0.297 198 T C -1.018 173.677 174.700 -0.009 0.000 1.108 198 T CA -1.135 61.005 62.100 0.067 0.000 1.004 198 T CB 2.376 71.287 68.868 0.072 0.000 1.159 198 T HN -0.167 nan 8.240 nan 0.000 0.499 199 D N 0.782 121.148 120.400 -0.056 0.000 2.780 199 D HA 0.616 5.256 4.640 -0.001 0.000 0.242 199 D C -1.004 174.951 176.300 -0.575 0.000 1.135 199 D CA -0.251 53.591 54.000 -0.263 0.000 0.859 199 D CB 2.558 43.301 40.800 -0.096 0.000 1.530 199 D HN 0.491 nan 8.370 nan 0.000 0.493 200 V N 2.401 121.849 119.914 -0.777 0.000 2.823 200 V HA 0.555 4.674 4.120 -0.001 0.000 0.312 200 V C -0.972 174.482 176.094 -1.065 0.000 1.072 200 V CA -0.721 61.123 62.300 -0.761 0.000 0.937 200 V CB 1.932 33.544 31.823 -0.352 0.000 1.013 200 V HN 0.357 nan 8.190 nan 0.000 0.430 201 F N 3.804 123.682 119.950 -0.119 0.000 2.577 201 F HA 0.567 5.094 4.527 -0.001 0.000 0.344 201 F C -0.021 175.728 175.800 -0.085 0.000 1.145 201 F CA -0.566 57.365 58.000 -0.116 0.000 0.996 201 F CB 1.263 40.165 39.000 -0.164 0.000 1.248 201 F HN 0.202 nan 8.300 nan 0.000 0.447 202 I N 4.724 125.331 120.570 0.063 0.000 2.243 202 I HA 0.259 4.428 4.170 -0.001 0.000 0.289 202 I C 0.130 176.292 176.117 0.076 0.000 1.140 202 I CA -0.373 60.968 61.300 0.069 0.000 1.289 202 I CB -0.125 37.902 38.000 0.046 0.000 1.498 202 I HN 0.420 nan 8.210 nan 0.000 0.561 203 R N 5.998 126.525 120.500 0.045 0.000 2.491 203 R HA 0.306 4.646 4.340 -0.001 0.000 0.283 203 R C -2.340 174.076 176.300 0.193 0.000 1.072 203 R CA -1.252 54.832 56.100 -0.028 0.000 1.048 203 R CB 0.336 30.338 30.300 -0.496 0.000 0.983 203 R HN 0.232 nan 8.270 nan 0.000 0.450 204 P HA 0.145 nan 4.420 nan 0.000 0.301 204 P C -0.137 177.301 177.300 0.231 0.000 1.309 204 P CA -0.646 62.582 63.100 0.213 0.000 0.782 204 P CB 1.003 32.792 31.700 0.149 0.000 1.282 205 K N 0.178 120.655 120.400 0.128 0.000 2.103 205 K HA -0.143 4.177 4.320 -0.001 0.000 0.207 205 K C 2.022 178.649 176.600 0.045 0.000 1.048 205 K CA 2.322 58.638 56.287 0.048 0.000 0.930 205 K CB -0.470 32.029 32.500 -0.001 0.000 0.716 205 K HN 0.467 nan 8.250 nan 0.000 0.444 206 S N -0.510 115.235 115.700 0.075 0.000 2.382 206 S HA -0.188 4.282 4.470 -0.001 0.000 0.228 206 S C 1.803 176.424 174.600 0.035 0.000 1.027 206 S CA 0.859 59.087 58.200 0.046 0.000 0.991 206 S CB -0.643 62.594 63.200 0.063 0.000 0.823 206 S HN 0.630 nan 8.310 nan 0.000 0.469 207 W N 1.847 123.132 121.300 -0.024 0.000 2.443 207 W HA 0.242 4.902 4.660 -0.001 0.000 0.296 207 W C 1.725 178.194 176.519 -0.085 0.000 1.202 207 W CA 0.725 58.042 57.345 -0.047 0.000 1.312 207 W CB -0.233 29.213 29.460 -0.023 0.000 1.120 207 W HN 0.248 nan 8.180 nan 0.000 0.536 208 I N 0.708 121.284 120.570 0.010 0.000 2.252 208 I HA -0.276 3.894 4.170 -0.001 0.000 0.245 208 I C 2.268 178.233 176.117 -0.254 0.000 1.102 208 I CA 1.748 62.983 61.300 -0.108 0.000 1.385 208 I CB -0.617 37.423 38.000 0.066 0.000 1.064 208 I HN 0.001 nan 8.210 nan 0.000 0.414 209 E N 0.525 120.616 120.200 -0.182 0.000 2.058 209 E HA -0.301 4.049 4.350 -0.001 0.000 0.194 209 E C 2.116 178.591 176.600 -0.208 0.000 0.997 209 E CA 1.439 57.739 56.400 -0.166 0.000 0.801 209 E CB -0.183 29.451 29.700 -0.110 0.000 0.746 209 E HN 0.455 nan 8.360 nan 0.000 0.450 210 E N 0.566 120.606 120.200 -0.266 0.000 2.153 210 E HA -0.213 4.137 4.350 -0.001 0.000 0.194 210 E C 1.377 177.729 176.600 -0.414 0.000 0.988 210 E CA 0.817 57.031 56.400 -0.310 0.000 0.811 210 E CB 0.203 29.707 29.700 -0.326 0.000 0.746 210 E HN 0.153 nan 8.360 nan 0.000 0.466 211 Q N 0.398 119.838 119.800 -0.601 0.000 2.282 211 Q HA 0.009 4.349 4.340 -0.001 0.000 0.205 211 Q C -0.435 175.364 176.000 -0.334 0.000 0.915 211 Q CA 0.188 55.621 55.803 -0.616 0.000 0.949 211 Q CB 0.284 28.380 28.738 -1.069 0.000 1.035 211 Q HN 0.356 nan 8.270 nan 0.000 0.484 212 E N 0.199 120.256 120.200 -0.239 0.000 2.328 212 E HA -0.229 4.121 4.350 -0.001 0.000 0.233 212 E C -0.449 176.097 176.600 -0.091 0.000 1.219 212 E CA 0.312 56.630 56.400 -0.137 0.000 0.717 212 E CB -1.258 28.381 29.700 -0.102 0.000 1.210 212 E HN 0.447 nan 8.360 nan 0.000 0.381 213 M N 0.142 119.682 119.600 -0.100 0.000 3.690 213 M HA 0.099 4.579 4.480 -0.001 0.000 0.209 213 M C 1.685 177.985 176.300 -0.000 0.000 1.403 213 M CA 0.228 55.527 55.300 -0.002 0.000 1.621 213 M CB 0.233 32.885 32.600 0.086 0.000 1.056 213 M HN 0.262 nan 8.290 nan 0.000 0.593 214 G N 0.198 108.991 108.800 -0.011 0.000 2.408 214 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.217 214 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.217 214 G C 1.586 176.489 174.900 0.006 0.000 1.150 214 G CA 1.084 46.173 45.100 -0.018 0.000 0.776 214 G HN 0.532 nan 8.290 nan 0.000 0.542 215 S N -0.327 115.394 115.700 0.034 0.000 2.368 215 S HA -0.109 4.361 4.470 -0.001 0.000 0.224 215 S C 2.067 176.735 174.600 0.113 0.000 1.029 215 S CA 1.335 59.562 58.200 0.045 0.000 0.988 215 S CB -0.395 62.800 63.200 -0.007 0.000 0.838 215 S HN 0.328 nan 8.310 nan 0.000 0.462 216 F N 1.886 121.837 119.950 0.001 0.000 2.146 216 F HA 0.113 4.639 4.527 -0.001 0.000 0.298 216 F C 1.718 177.533 175.800 0.026 0.000 1.096 216 F CA 0.894 58.911 58.000 0.028 0.000 1.275 216 F CB -1.131 37.924 39.000 0.093 0.000 1.008 216 F HN 0.259 nan 8.300 nan 0.000 0.480 217 L N 0.773 121.903 121.223 -0.156 0.000 2.201 217 L HA -0.103 4.237 4.340 -0.001 0.000 0.212 217 L C 2.774 179.571 176.870 -0.122 0.000 1.105 217 L CA 1.922 56.584 54.840 -0.297 0.000 0.775 217 L CB -1.228 40.683 42.059 -0.247 0.000 0.913 217 L HN 0.389 nan 8.230 nan 0.000 0.440 218 S N -2.345 113.331 115.700 -0.039 0.000 2.406 218 S HA -0.104 4.366 4.470 -0.001 0.000 0.228 218 S C 1.930 176.531 174.600 0.001 0.000 1.020 218 S CA 1.092 59.282 58.200 -0.015 0.000 0.965 218 S CB -0.851 62.351 63.200 0.003 0.000 0.798 218 S HN 0.185 nan 8.310 nan 0.000 0.488 219 V N 2.651 122.583 119.914 0.030 0.000 2.358 219 V HA -0.050 4.070 4.120 -0.001 0.000 0.246 219 V C 3.156 179.275 176.094 0.042 0.000 1.047 219 V CA 1.543 63.872 62.300 0.049 0.000 1.035 219 V CB -1.562 30.320 31.823 0.098 0.000 0.658 219 V HN 0.642 nan 8.190 nan 0.000 0.452 220 A N 1.395 124.231 122.820 0.026 0.000 1.972 220 A HA -0.257 4.062 4.320 -0.001 0.000 0.219 220 A C 2.260 179.842 177.584 -0.004 0.000 1.169 220 A CA 2.116 54.158 52.037 0.010 0.000 0.635 220 A CB -0.519 18.433 19.000 -0.081 0.000 0.810 220 A HN 0.761 nan 8.150 nan 0.000 0.446 221 K N -0.586 119.800 120.400 -0.022 0.000 2.209 221 K HA -0.028 4.291 4.320 -0.001 0.000 0.204 221 K C 1.872 178.472 176.600 -0.000 0.000 1.048 221 K CA 1.406 57.682 56.287 -0.017 0.000 0.940 221 K CB -0.852 31.633 32.500 -0.025 0.000 0.729 221 K HN 0.238 nan 8.250 nan 0.000 0.451 222 G N 1.325 110.131 108.800 0.009 0.000 2.476 222 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.218 222 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.218 222 G C 0.753 175.667 174.900 0.022 0.000 1.164 222 G CA 0.708 45.818 45.100 0.017 0.000 0.768 222 G HN 0.401 nan 8.290 nan 0.000 0.560 223 S N -0.211 115.507 115.700 0.030 0.000 2.593 223 S HA 0.266 4.735 4.470 -0.001 0.000 0.269 223 S C 0.899 175.515 174.600 0.025 0.000 1.334 223 S CA -0.381 57.840 58.200 0.036 0.000 1.015 223 S CB 0.761 63.991 63.200 0.050 0.000 0.912 223 S HN 0.285 nan 8.310 nan 0.000 0.541 224 E N 1.217 121.432 120.200 0.025 0.000 2.465 224 E HA 0.162 4.512 4.350 -0.001 0.000 0.195 224 E C -0.323 176.292 176.600 0.026 0.000 1.028 224 E CA -0.027 56.385 56.400 0.020 0.000 0.899 224 E CB 0.128 29.838 29.700 0.016 0.000 1.032 224 E HN 0.531 nan 8.360 nan 0.000 0.468 225 E N 2.166 122.387 120.200 0.035 0.000 2.200 225 E HA 0.217 4.567 4.350 -0.001 0.000 0.283 225 E C -2.506 174.123 176.600 0.048 0.000 1.015 225 E CA -2.688 53.738 56.400 0.043 0.000 0.819 225 E CB 0.822 30.554 29.700 0.053 0.000 1.081 225 E HN -0.205 nan 8.360 nan 0.000 0.397 226 P HA 0.026 nan 4.420 nan 0.000 0.261 226 P C -2.474 174.876 177.300 0.082 0.000 1.173 226 P CA -0.635 62.498 63.100 0.056 0.000 0.760 226 P CB 0.032 31.768 31.700 0.060 0.000 0.783 227 P HA 0.149 nan 4.420 nan 0.000 0.278 227 P C -1.042 176.383 177.300 0.209 0.000 1.238 227 P CA -0.017 63.178 63.100 0.158 0.000 0.794 227 P CB 0.971 32.675 31.700 0.006 0.000 0.955 228 V N 3.801 123.906 119.914 0.319 0.000 2.569 228 V HA 0.253 4.372 4.120 -0.001 0.000 0.301 228 V C -0.643 175.688 176.094 0.396 0.000 1.044 228 V CA -0.527 61.954 62.300 0.301 0.000 0.874 228 V CB 1.558 33.493 31.823 0.187 0.000 1.002 228 V HN 0.458 nan 8.190 nan 0.000 0.424 229 F N 6.212 126.358 119.950 0.328 0.000 2.404 229 F HA 0.680 5.206 4.527 -0.001 0.000 0.358 229 F C -0.439 175.405 175.800 0.073 0.000 1.120 229 F CA -0.679 57.449 58.000 0.214 0.000 1.144 229 F CB 1.230 40.459 39.000 0.382 0.000 1.133 229 F HN 0.433 nan 8.300 nan 0.000 0.495 230 L N 6.072 127.256 121.223 -0.065 0.000 2.312 230 L HA 0.427 4.766 4.340 -0.001 0.000 0.281 230 L C -0.747 176.198 176.870 0.125 0.000 1.070 230 L CA -0.079 54.792 54.840 0.052 0.000 0.805 230 L CB 1.189 43.267 42.059 0.032 0.000 1.174 230 L HN 0.716 nan 8.230 nan 0.000 0.434 231 E N 4.277 124.590 120.200 0.188 0.000 2.216 231 E HA 0.385 4.735 4.350 -0.001 0.000 0.260 231 E C -1.515 175.088 176.600 0.004 0.000 0.880 231 E CA -0.729 55.803 56.400 0.220 0.000 0.765 231 E CB 1.308 31.237 29.700 0.382 0.000 1.174 231 E HN 0.513 nan 8.360 nan 0.000 0.417 232 I N 4.230 124.773 120.570 -0.046 0.000 2.359 232 I HA 0.266 4.436 4.170 -0.001 0.000 0.294 232 I C -0.783 175.315 176.117 -0.032 0.000 0.987 232 I CA -0.594 60.648 61.300 -0.097 0.000 1.225 232 I CB 1.061 39.046 38.000 -0.024 0.000 1.366 232 I HN 0.502 nan 8.210 nan 0.000 0.466 233 H N 6.140 125.246 119.070 0.060 0.000 2.658 233 H HA 0.343 4.899 4.556 -0.000 0.000 0.337 233 H C -1.427 173.957 175.328 0.094 0.000 1.009 233 H CA -0.639 55.461 56.048 0.087 0.000 1.231 233 H CB 1.250 31.094 29.762 0.137 0.000 1.508 233 H HN 0.376 nan 8.280 nan 0.000 0.517 234 Y N 2.654 123.021 120.300 0.112 0.000 2.328 234 Y HA 0.316 4.865 4.550 -0.000 0.000 0.333 234 Y C -0.438 175.484 175.900 0.038 0.000 0.958 234 Y CA -1.064 57.058 58.100 0.036 0.000 1.167 234 Y CB 0.897 39.344 38.460 -0.020 0.000 1.151 234 Y HN 0.406 nan 8.280 nan 0.000 0.470 235 K N 4.900 124.959 120.400 -0.568 0.000 2.231 235 K HA 0.321 4.641 4.320 -0.001 0.000 0.255 235 K C 0.849 177.068 176.600 -0.635 0.000 1.108 235 K CA 0.023 56.058 56.287 -0.420 0.000 0.997 235 K CB 0.727 33.124 32.500 -0.172 0.000 1.549 235 K HN 0.997 nan 8.250 nan 0.000 0.419 236 G N 0.853 109.217 108.800 -0.726 0.000 2.441 236 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.212 236 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.212 236 G C 0.448 175.245 174.900 -0.172 0.000 1.164 236 G CA -0.091 44.704 45.100 -0.509 0.000 0.811 236 G HN 0.428 nan 8.290 nan 0.000 0.535 237 S N 2.003 117.631 115.700 -0.120 0.000 2.568 237 S HA 0.194 4.664 4.470 -0.001 0.000 0.282 237 S C -0.823 173.748 174.600 -0.049 0.000 1.338 237 S CA -0.748 57.421 58.200 -0.051 0.000 1.045 237 S CB 1.634 64.818 63.200 -0.026 0.000 0.873 237 S HN 0.149 nan 8.310 nan 0.000 0.516 238 P HA -0.144 nan 4.420 nan 0.000 0.213 238 P C 0.085 177.375 177.300 -0.017 0.000 1.176 238 P CA 1.273 64.362 63.100 -0.019 0.000 0.919 238 P CB -0.363 31.330 31.700 -0.012 0.000 0.791 239 N N 0.001 118.694 118.700 -0.012 0.000 2.408 239 N HA 0.230 4.970 4.740 -0.001 0.000 0.257 239 N C 0.873 176.375 175.510 -0.013 0.000 1.064 239 N CA 0.107 53.152 53.050 -0.009 0.000 0.952 239 N CB 1.367 39.853 38.487 -0.002 0.000 1.093 239 N HN -0.000 nan 8.380 nan 0.000 0.490 240 A N 2.860 125.670 122.820 -0.016 0.000 1.978 240 A HA -0.141 4.179 4.320 -0.001 0.000 0.220 240 A C 2.058 179.635 177.584 -0.011 0.000 1.170 240 A CA 1.202 53.226 52.037 -0.022 0.000 0.636 240 A CB -0.587 18.404 19.000 -0.016 0.000 0.810 240 A HN 0.704 nan 8.150 nan 0.000 0.448 241 S N 0.197 115.896 115.700 -0.001 0.000 2.595 241 S HA -0.027 4.443 4.470 -0.001 0.000 0.235 241 S C 0.585 175.195 174.600 0.016 0.000 0.974 241 S CA 0.060 58.264 58.200 0.007 0.000 0.942 241 S CB -0.312 62.893 63.200 0.008 0.000 0.766 241 S HN 0.536 nan 8.310 nan 0.000 0.536 242 E N 2.858 123.068 120.200 0.017 0.000 2.529 242 E HA 0.021 4.371 4.350 -0.001 0.000 0.259 242 E C -2.287 174.342 176.600 0.048 0.000 0.966 242 E CA -1.420 55.001 56.400 0.035 0.000 0.937 242 E CB 0.217 29.940 29.700 0.038 0.000 0.923 242 E HN 0.228 nan 8.360 nan 0.000 0.468 243 P HA 0.051 nan 4.420 nan 0.000 0.266 243 P C -2.443 174.916 177.300 0.098 0.000 1.195 243 P CA -0.826 62.326 63.100 0.087 0.000 0.768 243 P CB 0.113 31.876 31.700 0.104 0.000 0.838 244 P HA 0.382 nan 4.420 nan 0.000 0.301 244 P C -0.989 176.356 177.300 0.075 0.000 1.309 244 P CA -0.521 62.622 63.100 0.071 0.000 0.782 244 P CB 0.919 32.644 31.700 0.042 0.000 1.282 245 L N -0.030 121.233 121.223 0.066 0.000 2.343 245 L HA 0.348 4.687 4.340 -0.001 0.000 0.278 245 L C -0.276 176.695 176.870 0.169 0.000 0.996 245 L CA -0.640 54.256 54.840 0.094 0.000 0.831 245 L CB 1.747 43.846 42.059 0.066 0.000 1.232 245 L HN 0.034 nan 8.230 nan 0.000 0.413 246 V N 3.792 123.771 119.914 0.109 0.000 2.370 246 V HA 0.399 4.519 4.120 -0.001 0.000 0.279 246 V C -0.248 175.947 176.094 0.167 0.000 1.029 246 V CA -0.413 61.941 62.300 0.091 0.000 0.870 246 V CB 0.884 32.661 31.823 -0.076 0.000 0.984 246 V HN 0.325 nan 8.190 nan 0.000 0.451 247 F N 3.979 123.908 119.950 -0.035 0.000 2.404 247 F HA 0.665 5.192 4.527 -0.001 0.000 0.339 247 F C 0.271 176.062 175.800 -0.015 0.000 1.105 247 F CA -0.666 57.328 58.000 -0.011 0.000 1.087 247 F CB 1.702 40.699 39.000 -0.005 0.000 1.143 247 F HN 0.161 nan 8.300 nan 0.000 0.491 248 V N 1.204 121.173 119.914 0.092 0.000 2.823 248 V HA 0.952 5.072 4.120 -0.001 0.000 0.312 248 V C -0.185 175.928 176.094 0.032 0.000 1.072 248 V CA -0.824 61.508 62.300 0.053 0.000 0.937 248 V CB 2.119 33.983 31.823 0.068 0.000 1.013 248 V HN 0.907 nan 8.190 nan 0.000 0.430 249 G N 2.379 111.164 108.800 -0.026 0.000 2.752 249 G HA2 0.524 4.483 3.960 -0.001 0.000 0.298 249 G HA3 0.524 4.483 3.960 -0.001 0.000 0.298 249 G C -1.339 173.485 174.900 -0.126 0.000 1.434 249 G CA -0.894 44.181 45.100 -0.042 0.000 1.004 249 G HN 0.878 nan 8.290 nan 0.000 0.560 250 K N 0.430 120.766 120.400 -0.108 0.000 2.322 250 K HA 0.616 4.936 4.320 -0.001 0.000 0.283 250 K C 0.604 177.077 176.600 -0.211 0.000 1.042 250 K CA -0.005 56.188 56.287 -0.157 0.000 0.958 250 K CB 1.658 34.100 32.500 -0.096 0.000 0.984 250 K HN 0.641 nan 8.250 nan 0.000 0.473 251 G N 5.199 113.836 108.800 -0.272 0.000 4.943 251 G HA2 0.276 4.235 3.960 -0.001 0.000 0.315 251 G HA3 0.276 4.235 3.960 -0.001 0.000 0.315 251 G C -0.607 174.147 174.900 -0.243 0.000 1.437 251 G CA -0.623 44.271 45.100 -0.344 0.000 1.027 251 G HN 0.558 nan 8.290 nan 0.000 0.567 252 I N 2.824 123.289 120.570 -0.175 0.000 2.363 252 I HA 0.067 4.237 4.170 -0.001 0.000 0.292 252 I C 2.015 178.064 176.117 -0.113 0.000 1.075 252 I CA 0.062 61.291 61.300 -0.118 0.000 1.333 252 I CB 0.496 38.423 38.000 -0.121 0.000 1.415 252 I HN 0.373 nan 8.210 nan 0.000 0.502 253 T N 3.682 118.204 114.554 -0.053 0.000 2.867 253 T HA -0.093 4.256 4.350 -0.001 0.000 0.268 253 T C 0.341 175.102 174.700 0.102 0.000 1.057 253 T CA 0.917 63.019 62.100 0.003 0.000 1.136 253 T CB 0.015 68.912 68.868 0.048 0.000 0.874 253 T HN 0.311 nan 8.240 nan 0.000 0.466 254 F N 0.842 120.777 119.950 -0.026 0.000 2.588 254 F HA 0.480 5.006 4.527 -0.000 0.000 0.318 254 F C -1.959 173.832 175.800 -0.015 0.000 1.155 254 F CA -1.685 56.305 58.000 -0.017 0.000 0.967 254 F CB 2.024 41.021 39.000 -0.005 0.000 1.236 254 F HN -0.136 nan 8.300 nan 0.000 0.455 255 D N 2.720 122.522 120.400 -0.997 0.000 2.454 255 D HA 0.212 4.851 4.640 -0.001 0.000 0.225 255 D C 0.475 176.440 176.300 -0.558 0.000 1.081 255 D CA 0.137 53.792 54.000 -0.575 0.000 0.864 255 D CB 1.437 42.008 40.800 -0.381 0.000 1.040 255 D HN 0.497 nan 8.370 nan 0.000 0.517 256 S N 1.781 117.414 115.700 -0.113 0.000 2.556 256 S HA 0.290 4.760 4.470 -0.001 0.000 0.216 256 S C 1.564 176.179 174.600 0.024 0.000 0.970 256 S CA 0.451 58.711 58.200 0.100 0.000 0.912 256 S CB 0.385 63.740 63.200 0.259 0.000 0.790 256 S HN 0.649 nan 8.310 nan 0.000 0.504 257 G N 0.738 109.519 108.800 -0.032 0.000 2.284 257 G HA2 0.053 4.012 3.960 -0.001 0.000 0.247 257 G HA3 0.053 4.012 3.960 -0.001 0.000 0.247 257 G C 1.251 176.146 174.900 -0.007 0.000 1.012 257 G CA 0.364 45.448 45.100 -0.026 0.000 0.618 257 G HN 1.864 nan 8.290 nan 0.000 0.521 258 G N 0.094 108.903 108.800 0.015 0.000 2.498 258 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.251 258 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.251 258 G C 0.843 175.754 174.900 0.018 0.000 1.170 258 G CA 0.577 45.689 45.100 0.019 0.000 0.944 258 G HN 0.967 nan 8.290 nan 0.000 0.567 259 I N 1.387 121.964 120.570 0.012 0.000 2.315 259 I HA 0.022 4.192 4.170 -0.001 0.000 0.248 259 I C 2.220 178.341 176.117 0.007 0.000 1.117 259 I CA 1.893 63.199 61.300 0.010 0.000 1.404 259 I CB -1.212 36.793 38.000 0.007 0.000 1.071 259 I HN 0.307 nan 8.210 nan 0.000 0.419 260 S N 1.999 117.700 115.700 0.002 0.000 3.983 260 S HA 0.238 4.708 4.470 -0.001 0.000 0.194 260 S C 0.548 175.146 174.600 -0.002 0.000 1.464 260 S CA -0.211 57.987 58.200 -0.002 0.000 1.021 260 S CB -0.805 62.390 63.200 -0.009 0.000 1.424 260 S HN 0.175 nan 8.310 nan 0.000 0.473 261 I N 2.630 123.204 120.570 0.007 0.000 2.618 261 I HA 0.077 4.247 4.170 -0.001 0.000 0.284 261 I C 0.420 176.545 176.117 0.014 0.000 1.146 261 I CA -0.297 61.012 61.300 0.015 0.000 1.425 261 I CB 0.436 38.450 38.000 0.024 0.000 1.383 261 I HN 0.276 nan 8.210 nan 0.000 0.562 262 K N 5.845 126.256 120.400 0.017 0.000 2.336 262 K HA 0.300 4.619 4.320 -0.001 0.000 0.262 262 K C -0.045 176.571 176.600 0.027 0.000 0.992 262 K CA -0.473 55.824 56.287 0.016 0.000 0.927 262 K CB 0.471 32.979 32.500 0.014 0.000 0.956 262 K HN 0.695 nan 8.250 nan 0.000 0.495 263 A N 0.966 123.800 122.820 0.022 0.000 2.322 263 A HA 0.382 4.702 4.320 -0.001 0.000 0.269 263 A C 1.067 178.671 177.584 0.034 0.000 1.094 263 A CA 0.183 52.234 52.037 0.024 0.000 0.807 263 A CB 0.749 19.760 19.000 0.017 0.000 1.047 263 A HN 0.839 nan 8.150 nan 0.000 0.487 264 A N 1.833 124.673 122.820 0.033 0.000 2.019 264 A HA 0.315 4.634 4.320 -0.001 0.000 0.219 264 A C 1.559 179.167 177.584 0.040 0.000 1.164 264 A CA 1.219 53.281 52.037 0.040 0.000 0.644 264 A CB -1.000 18.018 19.000 0.030 0.000 0.805 264 A HN 2.065 nan 8.150 nan 0.000 0.449 265 A N 0.201 123.038 122.820 0.029 0.000 2.532 265 A HA 0.240 4.560 4.320 -0.001 0.000 0.269 265 A C 0.675 178.277 177.584 0.031 0.000 1.079 265 A CA 0.702 52.754 52.037 0.026 0.000 0.800 265 A CB -1.371 17.640 19.000 0.018 0.000 1.000 265 A HN 0.705 nan 8.150 nan 0.000 0.522 266 N N 0.801 119.522 118.700 0.036 0.000 2.721 266 N HA -0.207 4.533 4.740 -0.001 0.000 0.249 266 N C 0.713 176.258 175.510 0.058 0.000 1.072 266 N CA 0.954 54.029 53.050 0.042 0.000 0.710 266 N CB -0.827 37.677 38.487 0.028 0.000 0.993 266 N HN 0.829 nan 8.380 nan 0.000 0.547 267 M N 0.091 119.741 119.600 0.084 0.000 2.562 267 M HA -0.096 4.384 4.480 -0.001 0.000 0.257 267 M C 1.659 178.103 176.300 0.241 0.000 1.099 267 M CA 1.273 56.651 55.300 0.131 0.000 1.099 267 M CB -0.014 32.684 32.600 0.162 0.000 1.427 267 M HN 0.300 nan 8.290 nan 0.000 0.489 268 D N 0.552 121.067 120.400 0.191 0.000 2.309 268 D HA -0.196 4.444 4.640 -0.001 0.000 0.212 268 D C 1.454 177.884 176.300 0.218 0.000 0.968 268 D CA 0.948 55.079 54.000 0.218 0.000 0.882 268 D CB -0.520 40.346 40.800 0.110 0.000 0.918 268 D HN 0.423 nan 8.370 nan 0.000 0.503 269 L N -0.376 120.923 121.223 0.126 0.000 2.610 269 L HA 0.017 4.356 4.340 -0.001 0.000 0.232 269 L C 2.008 178.886 176.870 0.013 0.000 1.149 269 L CA 0.004 54.883 54.840 0.064 0.000 0.872 269 L CB -0.192 41.883 42.059 0.027 0.000 0.992 269 L HN -0.051 nan 8.230 nan 0.000 0.447 270 M N -0.208 119.372 119.600 -0.033 0.000 2.562 270 M HA -0.043 4.437 4.480 -0.001 0.000 0.257 270 M C 2.173 178.265 176.300 -0.346 0.000 1.099 270 M CA 0.971 56.068 55.300 -0.338 0.000 1.099 270 M CB -0.821 31.307 32.600 -0.787 0.000 1.427 270 M HN 0.318 nan 8.290 nan 0.000 0.489 271 R N 0.334 120.858 120.500 0.040 0.000 2.249 271 R HA 0.021 4.361 4.340 -0.001 0.000 0.230 271 R C 1.206 177.520 176.300 0.024 0.000 1.121 271 R CA 1.515 57.722 56.100 0.178 0.000 0.997 271 R CB -0.650 29.790 30.300 0.234 0.000 0.867 271 R HN 0.210 nan 8.270 nan 0.000 0.465 272 A N 0.836 123.641 122.820 -0.026 0.000 2.610 272 A HA 0.122 4.441 4.320 -0.001 0.000 0.286 272 A C 0.352 177.891 177.584 -0.075 0.000 1.306 272 A CA -0.251 51.762 52.037 -0.039 0.000 0.942 272 A CB 0.198 19.184 19.000 -0.023 0.000 1.112 272 A HN 0.235 nan 8.150 nan 0.000 0.527 273 D N -0.082 120.247 120.400 -0.119 0.000 2.340 273 D HA -0.010 4.630 4.640 -0.001 0.000 0.220 273 D C 1.464 177.682 176.300 -0.137 0.000 1.039 273 D CA 0.687 54.606 54.000 -0.135 0.000 0.866 273 D CB 0.106 40.792 40.800 -0.189 0.000 0.913 273 D HN 0.468 nan 8.370 nan 0.000 0.523 274 M N -2.231 117.283 119.600 -0.143 0.000 2.505 274 M HA 0.409 4.888 4.480 -0.001 0.000 0.230 274 M C 1.695 177.901 176.300 -0.158 0.000 1.153 274 M CA -0.021 55.153 55.300 -0.212 0.000 0.997 274 M CB -0.420 32.007 32.600 -0.288 0.000 1.606 274 M HN -0.144 nan 8.290 nan 0.000 0.481 275 G N 0.777 109.524 108.800 -0.088 0.000 2.432 275 G HA2 -0.005 3.955 3.960 -0.001 0.000 0.219 275 G HA3 -0.005 3.955 3.960 -0.001 0.000 0.219 275 G C 1.413 176.293 174.900 -0.033 0.000 1.135 275 G CA 0.597 45.673 45.100 -0.041 0.000 0.767 275 G HN 0.619 nan 8.290 nan 0.000 0.550 276 G N 1.153 109.918 108.800 -0.058 0.000 2.421 276 G HA2 0.046 4.006 3.960 -0.001 0.000 0.216 276 G HA3 0.046 4.006 3.960 -0.001 0.000 0.216 276 G C 2.052 176.933 174.900 -0.032 0.000 1.171 276 G CA 1.487 46.564 45.100 -0.039 0.000 0.775 276 G HN 0.592 nan 8.290 nan 0.000 0.543 277 A N 1.050 123.803 122.820 -0.111 0.000 1.933 277 A HA 0.306 4.625 4.320 -0.001 0.000 0.218 277 A C 2.790 180.471 177.584 0.161 0.000 1.175 277 A CA 2.165 54.142 52.037 -0.099 0.000 0.628 277 A CB -0.702 18.029 19.000 -0.449 0.000 0.814 277 A HN 0.751 nan 8.150 nan 0.000 0.444 278 A N -1.278 121.649 122.820 0.178 0.000 1.877 278 A HA -0.098 4.222 4.320 -0.001 0.000 0.216 278 A C 2.323 179.985 177.584 0.131 0.000 1.186 278 A CA 2.314 54.538 52.037 0.311 0.000 0.620 278 A CB -1.349 17.777 19.000 0.210 0.000 0.822 278 A HN 0.392 nan 8.150 nan 0.000 0.443 279 T N 0.609 115.208 114.554 0.075 0.000 2.635 279 T HA -0.190 4.160 4.350 -0.001 0.000 0.267 279 T C 1.829 176.566 174.700 0.061 0.000 1.040 279 T CA 2.125 64.254 62.100 0.047 0.000 1.156 279 T CB -0.629 68.262 68.868 0.038 0.000 0.863 279 T HN 0.648 nan 8.240 nan 0.000 0.430 280 I N -0.754 119.881 120.570 0.108 0.000 2.333 280 I HA -0.014 4.156 4.170 -0.001 0.000 0.246 280 I C 2.595 178.739 176.117 0.045 0.000 1.106 280 I CA 0.923 62.325 61.300 0.171 0.000 1.411 280 I CB -1.082 37.090 38.000 0.286 0.000 1.082 280 I HN 0.184 nan 8.210 nan 0.000 0.420 281 C N 1.216 120.549 119.300 0.055 0.000 2.413 281 C HA -0.149 4.311 4.460 -0.001 0.000 0.276 281 C C 3.181 178.113 174.990 -0.097 0.000 1.236 281 C CA 1.720 60.729 59.018 -0.014 0.000 1.735 281 C CB -1.334 26.421 27.740 0.024 0.000 2.031 281 C HN 0.636 nan 8.230 nan 0.000 0.474 282 S N 0.746 116.396 115.700 -0.082 0.000 2.399 282 S HA -0.100 4.369 4.470 -0.001 0.000 0.231 282 S C 2.106 176.611 174.600 -0.159 0.000 1.022 282 S CA 1.280 59.407 58.200 -0.123 0.000 0.983 282 S CB -0.393 62.749 63.200 -0.097 0.000 0.803 282 S HN 0.732 nan 8.310 nan 0.000 0.480 283 A N 1.763 124.497 122.820 -0.143 0.000 1.930 283 A HA -0.011 4.309 4.320 -0.001 0.000 0.217 283 A C 1.948 179.352 177.584 -0.301 0.000 1.175 283 A CA 0.984 52.900 52.037 -0.201 0.000 0.627 283 A CB -0.467 18.456 19.000 -0.127 0.000 0.815 283 A HN 0.420 nan 8.150 nan 0.000 0.443 284 I N -0.031 120.352 120.570 -0.312 0.000 2.252 284 I HA -0.138 4.032 4.170 -0.001 0.000 0.245 284 I C 2.447 178.374 176.117 -0.317 0.000 1.102 284 I CA 0.993 62.096 61.300 -0.328 0.000 1.385 284 I CB -1.619 36.243 38.000 -0.230 0.000 1.064 284 I HN 0.110 nan 8.210 nan 0.000 0.414 285 V N 0.719 120.480 119.914 -0.255 0.000 2.392 285 V HA -0.263 3.857 4.120 -0.001 0.000 0.249 285 V C 2.693 178.620 176.094 -0.278 0.000 1.059 285 V CA 2.041 64.195 62.300 -0.243 0.000 1.051 285 V CB -0.711 30.997 31.823 -0.192 0.000 0.658 285 V HN 0.377 nan 8.190 nan 0.000 0.455 286 S N -0.433 115.095 115.700 -0.286 0.000 2.377 286 S HA -0.018 4.451 4.470 -0.001 0.000 0.223 286 S C 2.171 176.572 174.600 -0.331 0.000 1.030 286 S CA 1.129 59.146 58.200 -0.304 0.000 0.970 286 S CB -0.283 62.703 63.200 -0.357 0.000 0.830 286 S HN 0.638 nan 8.310 nan 0.000 0.473 287 A N 1.260 123.863 122.820 -0.362 0.000 2.015 287 A HA 0.173 4.493 4.320 -0.001 0.000 0.219 287 A C 2.223 179.460 177.584 -0.579 0.000 1.163 287 A CA 1.533 53.363 52.037 -0.345 0.000 0.646 287 A CB -0.753 18.077 19.000 -0.284 0.000 0.806 287 A HN 0.495 nan 8.150 nan 0.000 0.448 288 A N -0.066 122.219 122.820 -0.893 0.000 1.929 288 A HA -0.095 4.225 4.320 -0.001 0.000 0.216 288 A C 2.061 179.412 177.584 -0.388 0.000 1.176 288 A CA 1.709 53.115 52.037 -1.051 0.000 0.628 288 A CB -0.346 18.197 19.000 -0.761 0.000 0.816 288 A HN 0.497 nan 8.150 nan 0.000 0.444 289 K N -0.827 119.408 120.400 -0.276 0.000 2.147 289 K HA -0.020 4.300 4.320 -0.001 0.000 0.205 289 K C 1.493 178.040 176.600 -0.088 0.000 1.049 289 K CA 0.865 57.064 56.287 -0.148 0.000 0.936 289 K CB -0.128 32.286 32.500 -0.144 0.000 0.722 289 K HN 0.275 nan 8.250 nan 0.000 0.446 290 L N 0.943 122.104 121.223 -0.103 0.000 2.341 290 L HA -0.010 4.330 4.340 -0.001 0.000 0.214 290 L C -0.057 176.837 176.870 0.039 0.000 1.115 290 L CA 1.189 56.028 54.840 -0.002 0.000 0.820 290 L CB -0.603 41.464 42.059 0.013 0.000 0.944 290 L HN 0.321 nan 8.230 nan 0.000 0.452 291 D N 1.036 121.437 120.400 0.001 0.000 3.038 291 D HA -0.224 4.416 4.640 -0.001 0.000 0.229 291 D C -0.425 175.964 176.300 0.147 0.000 1.182 291 D CA 0.235 54.306 54.000 0.119 0.000 0.852 291 D CB -0.179 40.690 40.800 0.115 0.000 0.932 291 D HN -0.066 nan 8.370 nan 0.000 0.406 292 L N 3.694 125.027 121.223 0.183 0.000 2.290 292 L HA 0.274 4.614 4.340 -0.001 0.000 0.284 292 L C -1.182 175.792 176.870 0.174 0.000 1.078 292 L CA -1.605 53.320 54.840 0.141 0.000 0.815 292 L CB 0.868 42.992 42.059 0.108 0.000 1.162 292 L HN 0.096 nan 8.230 nan 0.000 0.435 293 P HA 0.050 nan 4.420 nan 0.000 0.277 293 P C -0.702 176.624 177.300 0.043 0.000 1.617 293 P CA 0.459 63.579 63.100 0.034 0.000 0.829 293 P CB -0.708 30.991 31.700 -0.001 0.000 1.774 294 I N -3.358 117.251 120.570 0.065 0.000 2.722 294 I HA 0.477 4.647 4.170 -0.001 0.000 0.295 294 I C -0.771 175.338 176.117 -0.013 0.000 1.161 294 I CA -1.384 59.962 61.300 0.078 0.000 1.032 294 I CB 2.092 40.188 38.000 0.160 0.000 1.244 294 I HN -0.327 nan 8.210 nan 0.000 0.421 295 N N 5.856 124.542 118.700 -0.023 0.000 2.414 295 N HA 0.579 5.319 4.740 -0.001 0.000 0.256 295 N C -0.820 174.699 175.510 0.015 0.000 1.029 295 N CA -0.108 52.900 53.050 -0.071 0.000 0.948 295 N CB 1.821 40.275 38.487 -0.054 0.000 1.102 295 N HN 0.563 nan 8.380 nan 0.000 0.496 296 I N 0.936 121.539 120.570 0.056 0.000 2.693 296 I HA 0.471 4.640 4.170 -0.001 0.000 0.303 296 I C -0.137 176.023 176.117 0.072 0.000 1.025 296 I CA -1.075 60.267 61.300 0.071 0.000 1.086 296 I CB 2.078 40.111 38.000 0.055 0.000 1.268 296 I HN -0.034 nan 8.210 nan 0.000 0.440 297 V N 2.704 122.645 119.914 0.045 0.000 2.709 297 V HA 0.701 4.821 4.120 -0.001 0.000 0.308 297 V C 0.058 176.169 176.094 0.028 0.000 1.062 297 V CA -0.495 61.821 62.300 0.026 0.000 0.901 297 V CB 1.986 33.648 31.823 -0.268 0.000 1.003 297 V HN 0.908 nan 8.190 nan 0.000 0.425 298 G N 3.906 112.735 108.800 0.049 0.000 2.417 298 G HA2 0.685 4.644 3.960 -0.001 0.000 0.320 298 G HA3 0.685 4.644 3.960 -0.001 0.000 0.320 298 G C -1.672 173.257 174.900 0.049 0.000 1.204 298 G CA -0.373 44.760 45.100 0.055 0.000 0.923 298 G HN 0.411 nan 8.290 nan 0.000 0.466 299 L N 1.487 122.736 121.223 0.042 0.000 2.410 299 L HA 0.830 5.169 4.340 -0.001 0.000 0.270 299 L C -0.141 176.624 176.870 -0.176 0.000 0.983 299 L CA -0.773 54.073 54.840 0.010 0.000 0.822 299 L CB 2.133 44.287 42.059 0.159 0.000 1.285 299 L HN 0.787 nan 8.230 nan 0.000 0.409 300 A N 4.784 127.322 122.820 -0.470 0.000 2.550 300 A HA 0.734 5.054 4.320 -0.001 0.000 0.282 300 A C -2.824 174.276 177.584 -0.807 0.000 1.071 300 A CA -1.144 50.603 52.037 -0.483 0.000 0.838 300 A CB 0.914 19.784 19.000 -0.218 0.000 1.361 300 A HN 0.407 nan 8.150 nan 0.000 0.408 301 P HA 0.239 nan 4.420 nan 0.000 0.262 301 P C -0.685 176.276 177.300 -0.566 0.000 1.199 301 P CA 0.285 62.770 63.100 -1.024 0.000 0.763 301 P CB 0.385 31.383 31.700 -1.171 0.000 0.790 302 L N 4.971 126.002 121.223 -0.320 0.000 2.362 302 L HA 0.632 4.972 4.340 -0.001 0.000 0.275 302 L C 0.419 177.358 176.870 0.115 0.000 0.998 302 L CA -0.349 54.410 54.840 -0.134 0.000 0.820 302 L CB 1.118 43.114 42.059 -0.105 0.000 1.270 302 L HN 0.715 nan 8.230 nan 0.000 0.415 303 C N 1.093 120.442 119.300 0.082 0.000 3.167 303 C HA 0.586 5.046 4.460 -0.001 0.000 0.348 303 C C -0.975 174.060 174.990 0.074 0.000 1.394 303 C CA -0.926 58.178 59.018 0.142 0.000 1.204 303 C CB 1.840 29.739 27.740 0.264 0.000 1.467 303 C HN 0.876 nan 8.230 nan 0.000 0.446 304 E N 0.816 121.065 120.200 0.081 0.000 2.235 304 E HA 0.425 4.775 4.350 -0.001 0.000 0.265 304 E C -1.104 175.533 176.600 0.063 0.000 0.940 304 E CA -0.576 55.869 56.400 0.075 0.000 0.819 304 E CB 1.678 31.445 29.700 0.112 0.000 1.206 304 E HN 0.636 nan 8.360 nan 0.000 0.409 305 N N 2.244 120.973 118.700 0.048 0.000 2.558 305 N HA 0.203 4.943 4.740 -0.001 0.000 0.242 305 N C -1.194 174.356 175.510 0.066 0.000 0.979 305 N CA -0.299 52.771 53.050 0.033 0.000 0.931 305 N CB 0.474 38.952 38.487 -0.015 0.000 1.122 305 N HN 0.285 nan 8.380 nan 0.000 0.508 306 M N 3.388 123.027 119.600 0.065 0.000 2.530 306 M HA 0.509 4.989 4.480 -0.001 0.000 0.307 306 M C -2.522 173.806 176.300 0.046 0.000 1.161 306 M CA -2.337 53.006 55.300 0.073 0.000 0.903 306 M CB 1.631 34.274 32.600 0.071 0.000 1.711 306 M HN 0.343 nan 8.290 nan 0.000 0.451 307 P HA 0.447 nan 4.420 nan 0.000 0.284 307 P C -1.053 176.261 177.300 0.024 0.000 1.253 307 P CA -0.110 63.008 63.100 0.029 0.000 0.800 307 P CB 1.204 32.922 31.700 0.029 0.000 0.961 308 S N 0.254 115.964 115.700 0.017 0.000 2.656 308 S HA 0.452 4.921 4.470 -0.001 0.000 0.265 308 S C 1.123 175.729 174.600 0.010 0.000 1.132 308 S CA -0.228 57.980 58.200 0.013 0.000 0.819 308 S CB 0.324 63.532 63.200 0.014 0.000 1.119 308 S HN 0.402 nan 8.310 nan 0.000 0.476 309 G N 0.519 109.324 108.800 0.007 0.000 2.498 309 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.219 309 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.219 309 G C 0.723 175.626 174.900 0.004 0.000 1.119 309 G CA 0.952 46.055 45.100 0.005 0.000 0.766 309 G HN 0.955 nan 8.290 nan 0.000 0.552 310 K N -0.694 119.709 120.400 0.004 0.000 2.592 310 K HA 0.697 5.017 4.320 -0.001 0.000 0.203 310 K C 0.523 177.125 176.600 0.003 0.000 1.070 310 K CA -0.259 56.029 56.287 0.002 0.000 1.062 310 K CB 0.953 33.452 32.500 -0.001 0.000 0.814 310 K HN 0.119 nan 8.250 nan 0.000 0.502 311 A N 1.387 124.211 122.820 0.006 0.000 2.386 311 A HA 0.100 4.420 4.320 -0.001 0.000 0.246 311 A C -0.319 177.268 177.584 0.005 0.000 1.089 311 A CA -0.426 51.615 52.037 0.008 0.000 0.790 311 A CB 0.052 19.059 19.000 0.012 0.000 1.042 311 A HN 0.542 nan 8.150 nan 0.000 0.497 312 N N 0.299 119.002 118.700 0.005 0.000 2.468 312 N HA 0.085 4.825 4.740 -0.001 0.000 0.265 312 N C -0.442 175.070 175.510 0.004 0.000 1.199 312 N CA 0.293 53.345 53.050 0.004 0.000 0.928 312 N CB 0.270 38.760 38.487 0.005 0.000 1.059 312 N HN 0.496 nan 8.380 nan 0.000 0.467 313 K N 3.560 123.962 120.400 0.004 0.000 2.110 313 K HA 0.371 4.690 4.320 -0.001 0.000 0.263 313 K C -2.333 174.270 176.600 0.004 0.000 0.975 313 K CA -1.687 54.603 56.287 0.004 0.000 0.895 313 K CB 1.054 33.557 32.500 0.004 0.000 1.060 313 K HN 0.407 nan 8.250 nan 0.000 0.448 314 P HA -0.058 nan 4.420 nan 0.000 0.264 314 P C 0.424 177.728 177.300 0.006 0.000 1.193 314 P CA 0.789 63.892 63.100 0.004 0.000 0.763 314 P CB 0.465 32.167 31.700 0.002 0.000 0.810 315 G N 1.893 110.698 108.800 0.008 0.000 2.159 315 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.227 315 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.227 315 G C -0.355 174.554 174.900 0.014 0.000 0.986 315 G CA -0.424 44.683 45.100 0.011 0.000 0.651 315 G HN 0.487 nan 8.290 nan 0.000 0.523 316 D N 0.200 120.609 120.400 0.016 0.000 2.210 316 D HA 0.541 5.180 4.640 -0.001 0.000 0.249 316 D C 0.297 176.613 176.300 0.027 0.000 1.078 316 D CA -0.177 53.833 54.000 0.018 0.000 0.875 316 D CB 1.944 42.752 40.800 0.013 0.000 1.175 316 D HN 0.088 nan 8.370 nan 0.000 0.440 317 V N 3.305 123.233 119.914 0.024 0.000 2.364 317 V HA 0.340 4.459 4.120 -0.001 0.000 0.272 317 V C 0.368 176.478 176.094 0.027 0.000 1.036 317 V CA -0.568 61.751 62.300 0.031 0.000 0.880 317 V CB 1.148 32.987 31.823 0.026 0.000 0.991 317 V HN 0.378 nan 8.190 nan 0.000 0.460 318 V N 3.071 123.007 119.914 0.037 0.000 3.019 318 V HA 0.725 4.845 4.120 -0.001 0.000 0.317 318 V C -0.295 175.822 176.094 0.038 0.000 1.094 318 V CA -1.177 61.140 62.300 0.029 0.000 1.000 318 V CB 1.984 33.824 31.823 0.028 0.000 1.060 318 V HN 0.822 nan 8.190 nan 0.000 0.443 319 R N 1.502 122.019 120.500 0.028 0.000 2.437 319 R HA 0.759 5.099 4.340 -0.001 0.000 0.310 319 R C -0.154 176.170 176.300 0.040 0.000 0.955 319 R CA -0.190 55.933 56.100 0.038 0.000 0.851 319 R CB 1.597 31.910 30.300 0.022 0.000 1.161 319 R HN 1.188 nan 8.270 nan 0.000 0.446 320 A N 3.367 126.230 122.820 0.072 0.000 2.386 320 A HA 0.156 4.476 4.320 -0.001 0.000 0.248 320 A C 1.177 178.809 177.584 0.081 0.000 1.082 320 A CA -0.337 51.740 52.037 0.068 0.000 0.789 320 A CB 0.554 19.630 19.000 0.125 0.000 1.025 320 A HN 1.075 nan 8.150 nan 0.000 0.490 321 R N 0.680 121.220 120.500 0.068 0.000 2.153 321 R HA -0.236 4.104 4.340 -0.001 0.000 0.252 321 R C 1.165 177.504 176.300 0.064 0.000 1.158 321 R CA 2.272 58.403 56.100 0.052 0.000 0.975 321 R CB -0.262 30.077 30.300 0.065 0.000 0.871 321 R HN 0.936 nan 8.270 nan 0.000 0.450 322 N N -0.793 117.976 118.700 0.114 0.000 2.434 322 N HA 0.034 4.774 4.740 -0.001 0.000 0.196 322 N C 0.942 176.476 175.510 0.041 0.000 1.183 322 N CA 1.009 54.108 53.050 0.082 0.000 0.849 322 N CB 0.545 39.097 38.487 0.108 0.000 0.992 322 N HN 0.408 nan 8.380 nan 0.000 0.460 323 G N -0.168 108.660 108.800 0.047 0.000 2.299 323 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.237 323 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.237 323 G C -0.028 174.888 174.900 0.027 0.000 1.027 323 G CA 0.188 45.301 45.100 0.021 0.000 0.619 323 G HN 0.477 nan 8.290 nan 0.000 0.513 324 K N 2.189 122.616 120.400 0.046 0.000 2.436 324 K HA 0.421 4.740 4.320 -0.001 0.000 0.275 324 K C 0.822 177.487 176.600 0.109 0.000 0.999 324 K CA 0.856 57.169 56.287 0.044 0.000 0.980 324 K CB 0.494 32.981 32.500 -0.022 0.000 0.919 324 K HN 0.475 nan 8.250 nan 0.000 0.484 325 T N -0.196 114.400 114.554 0.069 0.000 2.929 325 T HA 0.608 4.958 4.350 -0.001 0.000 0.284 325 T C 0.079 174.843 174.700 0.108 0.000 1.014 325 T CA -0.890 61.256 62.100 0.077 0.000 1.051 325 T CB 0.782 69.675 68.868 0.042 0.000 1.028 325 T HN 0.342 nan 8.240 nan 0.000 0.485 326 I N 1.654 122.300 120.570 0.127 0.000 2.436 326 I HA 0.320 4.490 4.170 -0.001 0.000 0.289 326 I C 0.093 176.286 176.117 0.127 0.000 1.010 326 I CA -0.840 60.567 61.300 0.179 0.000 1.098 326 I CB 2.198 40.353 38.000 0.258 0.000 1.266 326 I HN 0.675 nan 8.210 nan 0.000 0.434 327 Q N 4.988 124.857 119.800 0.116 0.000 2.293 327 Q HA 0.266 4.606 4.340 -0.001 0.000 0.263 327 Q C -0.875 175.172 176.000 0.077 0.000 1.002 327 Q CA -0.336 55.512 55.803 0.075 0.000 0.910 327 Q CB 1.116 29.887 28.738 0.056 0.000 1.185 327 Q HN 0.545 nan 8.270 nan 0.000 0.401 328 V N 5.809 125.753 119.914 0.050 0.000 2.162 328 V HA 0.002 4.121 4.120 -0.001 0.000 0.255 328 V C 0.106 176.206 176.094 0.011 0.000 1.304 328 V CA -0.045 62.271 62.300 0.027 0.000 1.198 328 V CB 0.437 32.272 31.823 0.019 0.000 1.333 328 V HN 0.816 nan 8.190 nan 0.000 0.493 329 D N 1.820 122.224 120.400 0.007 0.000 2.312 329 D HA -0.009 4.630 4.640 -0.001 0.000 0.211 329 D C 0.867 177.162 176.300 -0.009 0.000 0.964 329 D CA 0.996 54.996 54.000 0.000 0.000 0.877 329 D CB 0.190 40.990 40.800 0.001 0.000 0.924 329 D HN 0.502 nan 8.370 nan 0.000 0.515 330 N N -0.645 118.043 118.700 -0.021 0.000 2.519 330 N HA 0.045 4.785 4.740 -0.001 0.000 0.291 330 N C 0.034 175.521 175.510 -0.038 0.000 1.107 330 N CA 0.017 53.050 53.050 -0.028 0.000 0.904 330 N CB 1.461 39.927 38.487 -0.035 0.000 1.500 330 N HN -0.327 nan 8.380 nan 0.000 0.510 331 T N 1.158 115.696 114.554 -0.026 0.000 3.051 331 T HA -0.077 4.273 4.350 -0.001 0.000 0.269 331 T C 0.911 175.589 174.700 -0.037 0.000 1.127 331 T CA 0.873 62.958 62.100 -0.025 0.000 1.107 331 T CB 0.090 68.951 68.868 -0.011 0.000 0.898 331 T HN 0.450 nan 8.240 nan 0.000 0.517 332 D N 1.252 121.625 120.400 -0.045 0.000 2.289 332 D HA 0.140 4.780 4.640 -0.001 0.000 0.207 332 D C 1.318 177.570 176.300 -0.080 0.000 0.966 332 D CA 0.039 54.005 54.000 -0.058 0.000 0.868 332 D CB -0.100 40.671 40.800 -0.049 0.000 0.943 332 D HN 0.325 nan 8.370 nan 0.000 0.514 333 A N 1.396 124.159 122.820 -0.095 0.000 3.029 333 A HA 0.059 4.379 4.320 -0.001 0.000 0.251 333 A C 1.297 178.788 177.584 -0.154 0.000 1.749 333 A CA 0.005 51.955 52.037 -0.145 0.000 1.386 333 A CB -0.444 18.451 19.000 -0.174 0.000 1.043 333 A HN 0.162 nan 8.150 nan 0.000 0.638 334 E N 0.137 120.269 120.200 -0.112 0.000 2.389 334 E HA 0.029 4.378 4.350 -0.001 0.000 0.199 334 E C 1.445 177.996 176.600 -0.082 0.000 0.978 334 E CA 1.013 57.363 56.400 -0.084 0.000 0.912 334 E CB -0.910 28.761 29.700 -0.047 0.000 0.907 334 E HN 0.357 nan 8.360 nan 0.000 0.494 335 G N 2.743 111.484 108.800 -0.098 0.000 2.418 335 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.217 335 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.217 335 G C 1.710 176.555 174.900 -0.092 0.000 1.158 335 G CA 0.935 45.983 45.100 -0.087 0.000 0.771 335 G HN 0.199 nan 8.290 nan 0.000 0.545 336 R N 0.548 120.953 120.500 -0.159 0.000 2.117 336 R HA -0.053 4.286 4.340 -0.001 0.000 0.243 336 R C 2.444 178.700 176.300 -0.074 0.000 1.143 336 R CA 1.020 56.997 56.100 -0.205 0.000 0.968 336 R CB -1.146 28.740 30.300 -0.689 0.000 0.863 336 R HN 0.422 nan 8.270 nan 0.000 0.444 337 L N 0.042 121.209 121.223 -0.094 0.000 2.179 337 L HA -0.020 4.320 4.340 -0.001 0.000 0.208 337 L C 2.460 179.320 176.870 -0.017 0.000 1.096 337 L CA 0.329 55.151 54.840 -0.031 0.000 0.779 337 L CB -0.312 41.742 42.059 -0.008 0.000 0.922 337 L HN 0.006 nan 8.230 nan 0.000 0.443 338 I N -0.154 120.408 120.570 -0.013 0.000 2.315 338 I HA -0.242 3.928 4.170 -0.001 0.000 0.248 338 I C 2.100 178.174 176.117 -0.071 0.000 1.117 338 I CA 1.518 62.805 61.300 -0.022 0.000 1.404 338 I CB 0.005 37.963 38.000 -0.069 0.000 1.071 338 I HN 0.102 nan 8.210 nan 0.000 0.419 339 L N -0.468 120.723 121.223 -0.053 0.000 2.492 339 L HA 0.038 4.377 4.340 -0.001 0.000 0.223 339 L C 2.443 179.294 176.870 -0.030 0.000 1.132 339 L CA 0.662 55.492 54.840 -0.017 0.000 0.850 339 L CB -0.613 41.458 42.059 0.020 0.000 0.966 339 L HN 0.200 nan 8.230 nan 0.000 0.454 340 A N -0.076 122.640 122.820 -0.174 0.000 2.019 340 A HA -0.186 4.133 4.320 -0.001 0.000 0.219 340 A C 1.797 179.251 177.584 -0.218 0.000 1.164 340 A CA 1.740 53.436 52.037 -0.568 0.000 0.644 340 A CB -0.205 18.057 19.000 -1.230 0.000 0.805 340 A HN 0.328 nan 8.150 nan 0.000 0.449 341 D N -0.657 119.728 120.400 -0.024 0.000 2.323 341 D HA 0.176 4.815 4.640 -0.001 0.000 0.218 341 D C 2.178 178.642 176.300 0.273 0.000 0.973 341 D CA 1.138 55.221 54.000 0.138 0.000 0.890 341 D CB -0.355 40.562 40.800 0.196 0.000 1.011 341 D HN 0.364 nan 8.370 nan 0.000 0.499 342 A N 0.954 123.951 122.820 0.295 0.000 1.969 342 A HA -0.051 4.269 4.320 -0.001 0.000 0.218 342 A C 2.282 180.080 177.584 0.357 0.000 1.169 342 A CA 0.667 52.986 52.037 0.469 0.000 0.635 342 A CB -0.676 18.460 19.000 0.226 0.000 0.810 342 A HN 0.159 nan 8.150 nan 0.000 0.445 343 L N -1.166 120.182 121.223 0.209 0.000 2.131 343 L HA -0.219 4.121 4.340 -0.001 0.000 0.210 343 L C 2.755 179.730 176.870 0.175 0.000 1.092 343 L CA 1.231 56.149 54.840 0.130 0.000 0.759 343 L CB -0.555 41.558 42.059 0.090 0.000 0.903 343 L HN 0.651 nan 8.230 nan 0.000 0.435 344 C N -1.082 118.396 119.300 0.297 0.000 2.476 344 C HA -0.194 4.266 4.460 -0.001 0.000 0.278 344 C C 2.813 178.041 174.990 0.396 0.000 1.274 344 C CA 0.228 59.474 59.018 0.380 0.000 1.713 344 C CB -0.588 27.327 27.740 0.291 0.000 2.039 344 C HN 0.592 nan 8.230 nan 0.000 0.484 345 Y N 2.149 122.592 120.300 0.239 0.000 2.274 345 Y HA -0.025 4.525 4.550 -0.001 0.000 0.290 345 Y C 2.369 178.501 175.900 0.387 0.000 1.145 345 Y CA 1.356 59.619 58.100 0.272 0.000 1.203 345 Y CB -0.799 37.830 38.460 0.281 0.000 0.984 345 Y HN 0.365 nan 8.280 nan 0.000 0.533 346 A N -0.543 122.421 122.820 0.241 0.000 1.978 346 A HA -0.262 4.057 4.320 -0.001 0.000 0.220 346 A C 1.741 179.348 177.584 0.039 0.000 1.170 346 A CA 2.097 54.185 52.037 0.085 0.000 0.636 346 A CB -1.148 17.782 19.000 -0.116 0.000 0.810 346 A HN 0.717 nan 8.150 nan 0.000 0.448 347 H N -1.369 117.793 119.070 0.154 0.000 2.524 347 H HA 0.002 4.558 4.556 -0.001 0.000 0.282 347 H C 2.124 177.494 175.328 0.070 0.000 1.016 347 H CA 1.296 57.415 56.048 0.117 0.000 1.270 347 H CB -0.179 29.643 29.762 0.099 0.000 1.394 347 H HN 0.403 nan 8.280 nan 0.000 0.568 348 T N 0.217 114.817 114.554 0.077 0.000 2.759 348 T HA -0.156 4.194 4.350 -0.001 0.000 0.269 348 T C 1.072 175.599 174.700 -0.287 0.000 1.042 348 T CA 1.140 63.138 62.100 -0.170 0.000 1.140 348 T CB -0.308 68.317 68.868 -0.406 0.000 0.864 348 T HN 0.297 nan 8.240 nan 0.000 0.455 349 F N 1.390 121.278 119.950 -0.104 0.000 2.802 349 F HA 0.219 4.746 4.527 -0.001 0.000 0.300 349 F C 1.308 177.092 175.800 -0.027 0.000 1.168 349 F CA -0.133 57.815 58.000 -0.087 0.000 1.433 349 F CB -0.621 38.311 39.000 -0.113 0.000 1.115 349 F HN 0.094 nan 8.300 nan 0.000 0.582 350 N N 0.915 119.698 118.700 0.137 0.000 2.696 350 N HA -0.144 4.596 4.740 -0.001 0.000 0.256 350 N C -2.479 173.125 175.510 0.155 0.000 1.031 350 N CA 0.102 53.236 53.050 0.140 0.000 0.730 350 N CB -0.560 37.981 38.487 0.090 0.000 0.894 350 N HN 0.174 nan 8.380 nan 0.000 0.544 351 P HA 0.099 nan 4.420 nan 0.000 0.286 351 P C 0.351 177.752 177.300 0.169 0.000 1.293 351 P CA -0.003 63.141 63.100 0.074 0.000 0.770 351 P CB 0.767 32.426 31.700 -0.069 0.000 1.206 352 K N -1.211 119.284 120.400 0.158 0.000 2.329 352 K HA 0.275 4.595 4.320 -0.001 0.000 0.198 352 K C -0.108 176.696 176.600 0.341 0.000 1.085 352 K CA 0.371 56.828 56.287 0.285 0.000 0.961 352 K CB 0.457 33.132 32.500 0.291 0.000 0.971 352 K HN 0.123 nan 8.250 nan 0.000 0.502 353 V N 1.893 121.902 119.914 0.158 0.000 2.808 353 V HA 0.366 4.486 4.120 -0.001 0.000 0.308 353 V C -1.260 174.812 176.094 -0.036 0.000 1.099 353 V CA -0.733 61.668 62.300 0.169 0.000 0.920 353 V CB 2.248 34.223 31.823 0.254 0.000 1.014 353 V HN 0.094 nan 8.190 nan 0.000 0.425 354 I N 5.467 126.008 120.570 -0.048 0.000 2.428 354 I HA 0.448 4.617 4.170 -0.001 0.000 0.279 354 I C -0.554 175.546 176.117 -0.029 0.000 1.040 354 I CA -0.156 61.113 61.300 -0.052 0.000 1.171 354 I CB 1.137 39.120 38.000 -0.028 0.000 1.312 354 I HN 0.429 nan 8.210 nan 0.000 0.470 355 I N 5.932 126.320 120.570 -0.304 0.000 2.325 355 I HA 0.180 4.349 4.170 -0.001 0.000 0.291 355 I C 0.091 176.008 176.117 -0.333 0.000 1.019 355 I CA -0.282 60.727 61.300 -0.485 0.000 1.302 355 I CB 0.954 38.308 38.000 -1.077 0.000 1.401 355 I HN 0.599 nan 8.210 nan 0.000 0.485 356 N N 5.800 124.441 118.700 -0.098 0.000 2.384 356 N HA 0.815 5.555 4.740 -0.001 0.000 0.301 356 N C -1.291 174.222 175.510 0.005 0.000 1.133 356 N CA -0.558 52.510 53.050 0.031 0.000 0.853 356 N CB 2.106 40.741 38.487 0.247 0.000 1.241 356 N HN 0.637 nan 8.380 nan 0.000 0.502 357 A N 0.468 123.304 122.820 0.026 0.000 2.488 357 A HA 0.903 5.223 4.320 -0.001 0.000 0.298 357 A C -1.440 176.155 177.584 0.017 0.000 1.044 357 A CA -0.359 51.677 52.037 -0.001 0.000 0.693 357 A CB 1.166 20.158 19.000 -0.013 0.000 1.272 357 A HN 1.224 nan 8.150 nan 0.000 0.402 358 A N 0.913 123.739 122.820 0.009 0.000 2.566 358 A HA 0.685 5.005 4.320 -0.001 0.000 0.297 358 A C -0.065 177.521 177.584 0.005 0.000 1.059 358 A CA 0.146 52.194 52.037 0.019 0.000 0.691 358 A CB 0.641 19.689 19.000 0.080 0.000 1.282 358 A HN 1.862 nan 8.150 nan 0.000 0.401 359 T N 1.615 116.158 114.554 -0.020 0.000 4.578 359 T HA 0.236 4.585 4.350 -0.001 0.000 0.236 359 T C 1.033 175.722 174.700 -0.018 0.000 1.038 359 T CA -0.095 61.989 62.100 -0.026 0.000 1.067 359 T CB -0.716 68.124 68.868 -0.047 0.000 1.390 359 T HN 0.509 nan 8.240 nan 0.000 1.076 360 L N 1.529 122.765 121.223 0.022 0.000 2.068 360 L HA 0.125 4.465 4.340 -0.001 0.000 0.204 360 L C 1.354 178.222 176.870 -0.004 0.000 1.076 360 L CA 1.100 55.956 54.840 0.027 0.000 0.753 360 L CB -0.104 42.027 42.059 0.119 0.000 0.910 360 L HN 0.742 nan 8.230 nan 0.000 0.439 361 T N -5.817 108.744 114.554 0.011 0.000 2.933 361 T HA 0.412 4.761 4.350 -0.001 0.000 0.305 361 T C 0.672 175.372 174.700 0.002 0.000 1.092 361 T CA -0.190 61.910 62.100 -0.001 0.000 1.008 361 T CB 1.756 70.631 68.868 0.011 0.000 1.102 361 T HN 0.101 nan 8.240 nan 0.000 0.469 362 G N 0.592 109.387 108.800 -0.008 0.000 2.443 362 G HA2 0.143 4.102 3.960 -0.001 0.000 0.219 362 G HA3 0.143 4.102 3.960 -0.001 0.000 0.219 362 G C 1.583 176.485 174.900 0.003 0.000 1.131 362 G CA 0.592 45.688 45.100 -0.006 0.000 0.775 362 G HN 1.188 nan 8.290 nan 0.000 0.547 363 A N 0.323 123.149 122.820 0.012 0.000 2.076 363 A HA -0.009 4.311 4.320 -0.001 0.000 0.220 363 A C 2.199 179.797 177.584 0.023 0.000 1.160 363 A CA 2.035 54.084 52.037 0.020 0.000 0.653 363 A CB -0.284 18.734 19.000 0.030 0.000 0.801 363 A HN 0.397 nan 8.150 nan 0.000 0.455 364 M N 0.310 119.929 119.600 0.032 0.000 2.132 364 M HA -0.083 4.397 4.480 -0.001 0.000 0.263 364 M C 1.454 177.755 176.300 0.001 0.000 1.065 364 M CA 2.231 57.550 55.300 0.032 0.000 1.122 364 M CB -0.756 31.876 32.600 0.053 0.000 1.365 364 M HN 0.444 nan 8.290 nan 0.000 0.411 365 D N -0.480 119.918 120.400 -0.002 0.000 2.178 365 D HA -0.136 4.504 4.640 -0.001 0.000 0.201 365 D C 1.714 178.002 176.300 -0.020 0.000 0.980 365 D CA 1.198 55.190 54.000 -0.014 0.000 0.842 365 D CB 0.070 40.863 40.800 -0.012 0.000 0.948 365 D HN 0.359 nan 8.370 nan 0.000 0.472 366 I N 0.783 121.345 120.570 -0.013 0.000 2.439 366 I HA -0.046 4.123 4.170 -0.001 0.000 0.251 366 I C 2.358 178.457 176.117 -0.030 0.000 1.139 366 I CA 0.728 62.018 61.300 -0.017 0.000 1.438 366 I CB -1.594 36.403 38.000 -0.005 0.000 1.085 366 I HN 0.067 nan 8.210 nan 0.000 0.427 367 A N 0.927 123.729 122.820 -0.030 0.000 1.821 367 A HA -0.119 4.201 4.320 -0.001 0.000 0.215 367 A C 2.116 179.643 177.584 -0.094 0.000 1.214 367 A CA 1.559 53.566 52.037 -0.050 0.000 0.608 367 A CB -0.740 18.239 19.000 -0.035 0.000 0.862 367 A HN 0.294 nan 8.150 nan 0.000 0.448 368 L N -1.543 119.620 121.223 -0.100 0.000 2.388 368 L HA 0.317 4.657 4.340 -0.001 0.000 0.209 368 L C 1.531 178.338 176.870 -0.104 0.000 1.061 368 L CA 1.074 55.827 54.840 -0.145 0.000 0.834 368 L CB -1.230 40.745 42.059 -0.141 0.000 1.029 368 L HN 0.730 nan 8.230 nan 0.000 0.473 369 G N 1.127 109.889 108.800 -0.064 0.000 2.325 369 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.274 369 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.274 369 G C 0.824 175.698 174.900 -0.042 0.000 0.921 369 G CA 1.287 46.359 45.100 -0.046 0.000 1.340 369 G HN 0.963 nan 8.290 nan 0.000 0.447 370 S N -2.952 112.730 115.700 -0.029 0.000 3.084 370 S HA -0.221 4.249 4.470 -0.001 0.000 0.277 370 S C 2.522 177.113 174.600 -0.016 0.000 1.295 370 S CA 1.999 60.189 58.200 -0.018 0.000 1.170 370 S CB -1.495 61.694 63.200 -0.018 0.000 1.412 370 S HN 2.356 nan 8.310 nan 0.000 0.669 371 G N 1.343 110.120 108.800 -0.038 0.000 2.473 371 G HA2 0.540 4.499 3.960 -0.001 0.000 0.212 371 G HA3 0.540 4.499 3.960 -0.001 0.000 0.212 371 G C 0.479 175.384 174.900 0.008 0.000 1.211 371 G CA 0.710 45.782 45.100 -0.047 0.000 0.813 371 G HN 1.805 nan 8.290 nan 0.000 0.541 372 A N -0.767 122.062 122.820 0.016 0.000 2.454 372 A HA 0.664 4.984 4.320 -0.001 0.000 0.302 372 A C -0.182 177.452 177.584 0.083 0.000 1.079 372 A CA 0.082 52.185 52.037 0.109 0.000 0.731 372 A CB 1.299 20.436 19.000 0.227 0.000 1.299 372 A HN 0.618 nan 8.150 nan 0.000 0.413 373 T N 0.279 114.894 114.554 0.103 0.000 2.743 373 T HA 0.545 4.895 4.350 -0.001 0.000 0.293 373 T C 0.535 175.276 174.700 0.067 0.000 0.945 373 T CA 0.273 62.407 62.100 0.057 0.000 1.030 373 T CB 0.397 69.288 68.868 0.037 0.000 0.912 373 T HN 1.403 nan 8.240 nan 0.000 0.483 374 G N 2.613 111.419 108.800 0.011 0.000 2.361 374 G HA2 0.471 4.431 3.960 -0.001 0.000 0.260 374 G HA3 0.471 4.431 3.960 -0.001 0.000 0.260 374 G C -0.298 174.537 174.900 -0.109 0.000 1.261 374 G CA -0.359 44.704 45.100 -0.062 0.000 0.897 374 G HN 1.269 nan 8.290 nan 0.000 0.499 375 V N 3.906 123.721 119.914 -0.166 0.000 2.482 375 V HA 0.723 4.843 4.120 -0.001 0.000 0.295 375 V C -1.336 174.605 176.094 -0.254 0.000 1.026 375 V CA -1.272 60.955 62.300 -0.122 0.000 0.856 375 V CB 0.815 32.659 31.823 0.035 0.000 1.001 375 V HN 0.452 nan 8.190 nan 0.000 0.424 376 F N 4.344 124.153 119.950 -0.235 0.000 2.410 376 F HA 0.779 5.306 4.527 -0.001 0.000 0.349 376 F C 0.647 176.253 175.800 -0.323 0.000 1.117 376 F CA -0.296 57.551 58.000 -0.255 0.000 1.104 376 F CB 1.882 40.779 39.000 -0.171 0.000 1.122 376 F HN 0.628 nan 8.300 nan 0.000 0.483 377 T N 1.859 116.350 114.554 -0.105 0.000 2.993 377 T HA 0.249 4.599 4.350 -0.001 0.000 0.312 377 T C 0.008 174.727 174.700 0.032 0.000 1.115 377 T CA -0.995 61.040 62.100 -0.109 0.000 1.027 377 T CB 0.733 69.575 68.868 -0.042 0.000 1.116 377 T HN 0.600 nan 8.240 nan 0.000 0.464 378 N N 2.699 121.475 118.700 0.127 0.000 2.441 378 N HA 0.159 4.899 4.740 -0.001 0.000 0.225 378 N C -0.365 175.269 175.510 0.207 0.000 1.208 378 N CA -0.279 52.894 53.050 0.206 0.000 0.847 378 N CB 0.176 38.846 38.487 0.305 0.000 1.121 378 N HN 0.333 nan 8.380 nan 0.000 0.479 379 S N -1.036 114.782 115.700 0.197 0.000 2.536 379 S HA 0.253 4.723 4.470 -0.001 0.000 0.246 379 S C 0.163 174.925 174.600 0.270 0.000 1.077 379 S CA -0.628 57.727 58.200 0.258 0.000 1.091 379 S CB 0.163 63.555 63.200 0.319 0.000 1.148 379 S HN 0.180 nan 8.310 nan 0.000 0.447 380 S N 2.849 118.707 115.700 0.263 0.000 2.419 380 S HA -0.071 4.399 4.470 -0.001 0.000 0.233 380 S C 1.288 176.053 174.600 0.275 0.000 1.016 380 S CA 1.160 59.525 58.200 0.275 0.000 0.974 380 S CB -0.279 63.051 63.200 0.217 0.000 0.786 380 S HN 0.902 nan 8.310 nan 0.000 0.492 381 W N 2.110 123.501 121.300 0.152 0.000 2.378 381 W HA 0.000 4.660 4.660 -0.001 0.000 0.313 381 W C 1.762 178.373 176.519 0.153 0.000 1.197 381 W CA 0.860 58.290 57.345 0.141 0.000 1.304 381 W CB -0.610 28.938 29.460 0.145 0.000 1.148 381 W HN 0.181 nan 8.180 nan 0.000 0.494 382 L N 0.157 121.456 121.223 0.125 0.000 2.083 382 L HA -0.210 4.130 4.340 -0.001 0.000 0.209 382 L C 2.502 179.301 176.870 -0.117 0.000 1.083 382 L CA 1.780 56.590 54.840 -0.050 0.000 0.752 382 L CB -0.899 41.251 42.059 0.151 0.000 0.899 382 L HN 0.367 nan 8.230 nan 0.000 0.433 383 W N 0.693 121.928 121.300 -0.108 0.000 2.353 383 W HA -0.257 4.402 4.660 -0.001 0.000 0.319 383 W C 2.259 178.729 176.519 -0.080 0.000 1.207 383 W CA 1.318 58.593 57.345 -0.116 0.000 1.291 383 W CB -0.322 29.068 29.460 -0.117 0.000 1.159 383 W HN 0.216 nan 8.180 nan 0.000 0.478 384 N N 1.098 119.508 118.700 -0.484 0.000 2.094 384 N HA -0.209 4.530 4.740 -0.001 0.000 0.191 384 N C 1.511 176.776 175.510 -0.409 0.000 1.023 384 N CA 1.885 54.643 53.050 -0.485 0.000 0.857 384 N CB -0.368 37.983 38.487 -0.227 0.000 1.013 384 N HN 0.076 nan 8.380 nan 0.000 0.426 385 K N 0.624 120.774 120.400 -0.418 0.000 2.057 385 K HA -0.030 4.290 4.320 -0.001 0.000 0.207 385 K C 1.832 178.357 176.600 -0.125 0.000 1.049 385 K CA 0.556 56.688 56.287 -0.258 0.000 0.931 385 K CB -0.382 31.923 32.500 -0.326 0.000 0.714 385 K HN 0.037 nan 8.250 nan 0.000 0.440 386 L N -0.563 120.472 121.223 -0.312 0.000 2.044 386 L HA -0.033 4.307 4.340 -0.001 0.000 0.205 386 L C 2.026 178.693 176.870 -0.340 0.000 1.075 386 L CA 1.426 56.082 54.840 -0.306 0.000 0.747 386 L CB -0.934 40.930 42.059 -0.326 0.000 0.903 386 L HN 0.129 nan 8.230 nan 0.000 0.435 387 F N 0.903 120.390 119.950 -0.772 0.000 2.171 387 F HA -0.194 4.332 4.527 -0.001 0.000 0.300 387 F C 2.348 177.947 175.800 -0.335 0.000 1.090 387 F CA 1.530 59.088 58.000 -0.737 0.000 1.293 387 F CB -0.100 38.102 39.000 -1.330 0.000 1.013 387 F HN 0.219 nan 8.300 nan 0.000 0.486 388 E N 0.044 119.958 120.200 -0.477 0.000 2.072 388 E HA -0.157 4.192 4.350 -0.001 0.000 0.191 388 E C 2.383 178.843 176.600 -0.232 0.000 0.985 388 E CA 1.020 57.217 56.400 -0.338 0.000 0.801 388 E CB -0.427 29.176 29.700 -0.161 0.000 0.750 388 E HN 0.457 nan 8.360 nan 0.000 0.452 389 A N 1.256 123.992 122.820 -0.140 0.000 1.933 389 A HA -0.229 4.090 4.320 -0.001 0.000 0.218 389 A C 2.286 179.822 177.584 -0.080 0.000 1.175 389 A CA 1.871 53.885 52.037 -0.038 0.000 0.628 389 A CB -0.718 18.328 19.000 0.077 0.000 0.814 389 A HN 0.317 nan 8.150 nan 0.000 0.444 390 S N 0.042 115.635 115.700 -0.179 0.000 2.399 390 S HA -0.131 4.338 4.470 -0.001 0.000 0.231 390 S C 1.838 176.376 174.600 -0.104 0.000 1.022 390 S CA 1.397 59.517 58.200 -0.133 0.000 0.983 390 S CB -0.533 62.552 63.200 -0.191 0.000 0.803 390 S HN 0.388 nan 8.310 nan 0.000 0.480 391 I N 1.904 122.336 120.570 -0.230 0.000 2.252 391 I HA -0.050 4.119 4.170 -0.001 0.000 0.245 391 I C 2.750 178.871 176.117 0.007 0.000 1.102 391 I CA 1.711 62.951 61.300 -0.100 0.000 1.385 391 I CB -1.675 36.224 38.000 -0.167 0.000 1.064 391 I HN 0.462 nan 8.210 nan 0.000 0.414 392 E N 1.869 122.040 120.200 -0.047 0.000 2.028 392 E HA -0.185 4.165 4.350 -0.001 0.000 0.190 392 E C 2.180 178.721 176.600 -0.099 0.000 0.984 392 E CA 2.506 58.863 56.400 -0.072 0.000 0.800 392 E CB -0.311 29.330 29.700 -0.098 0.000 0.758 392 E HN 0.506 nan 8.360 nan 0.000 0.448 393 T N -3.335 111.183 114.554 -0.059 0.000 2.951 393 T HA 0.107 4.457 4.350 -0.001 0.000 0.268 393 T C 1.784 176.482 174.700 -0.003 0.000 1.073 393 T CA 1.237 63.311 62.100 -0.044 0.000 1.134 393 T CB -0.412 68.478 68.868 0.037 0.000 0.884 393 T HN 0.500 nan 8.240 nan 0.000 0.479 394 G N 1.079 109.920 108.800 0.068 0.000 2.253 394 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.251 394 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.251 394 G C 0.024 175.095 174.900 0.285 0.000 0.998 394 G CA 0.186 45.402 45.100 0.193 0.000 0.621 394 G HN 0.631 nan 8.290 nan 0.000 0.524 395 D N 1.697 122.206 120.400 0.183 0.000 2.470 395 D HA 0.392 5.032 4.640 -0.001 0.000 0.226 395 D C 1.170 177.558 176.300 0.147 0.000 1.196 395 D CA -0.300 53.801 54.000 0.168 0.000 0.979 395 D CB 0.063 40.939 40.800 0.127 0.000 1.059 395 D HN 0.393 nan 8.370 nan 0.000 0.515 396 R N 0.403 121.017 120.500 0.189 0.000 2.756 396 R HA 0.296 4.636 4.340 -0.001 0.000 0.264 396 R C -0.225 176.195 176.300 0.200 0.000 1.026 396 R CA 0.008 56.222 56.100 0.191 0.000 1.121 396 R CB 0.869 31.297 30.300 0.214 0.000 0.999 396 R HN 0.079 nan 8.270 nan 0.000 0.449 397 V N 3.167 123.252 119.914 0.285 0.000 2.668 397 V HA 0.342 4.462 4.120 -0.001 0.000 0.304 397 V C -1.479 174.964 176.094 0.581 0.000 1.071 397 V CA -0.635 61.867 62.300 0.337 0.000 0.894 397 V CB 1.727 33.681 31.823 0.218 0.000 1.008 397 V HN 0.686 nan 8.190 nan 0.000 0.425 398 W N 6.998 128.427 121.300 0.216 0.000 2.587 398 W HA 0.559 5.218 4.660 -0.001 0.000 0.324 398 W C -0.073 176.244 176.519 -0.337 0.000 1.040 398 W CA -0.823 56.555 57.345 0.054 0.000 1.222 398 W CB 1.895 31.317 29.460 -0.063 0.000 1.381 398 W HN 0.527 nan 8.180 nan 0.000 0.483 399 R N 4.463 124.143 120.500 -1.367 0.000 2.594 399 R HA 0.313 4.653 4.340 -0.001 0.000 0.272 399 R C -0.052 175.714 176.300 -0.889 0.000 1.074 399 R CA 0.203 55.460 56.100 -1.405 0.000 1.105 399 R CB 0.802 29.883 30.300 -2.031 0.000 1.008 399 R HN 0.384 nan 8.270 nan 0.000 0.472 400 M N 3.005 122.080 119.600 -0.875 0.000 2.667 400 M HA 0.459 4.938 4.480 -0.001 0.000 0.286 400 M C -2.471 173.311 176.300 -0.864 0.000 1.270 400 M CA -2.628 52.103 55.300 -0.948 0.000 0.826 400 M CB 1.790 33.441 32.600 -1.583 0.000 1.743 400 M HN 0.403 nan 8.290 nan 0.000 0.460 401 P HA 0.438 nan 4.420 nan 0.000 0.304 401 P C -0.778 176.477 177.300 -0.075 0.000 1.360 401 P CA -0.486 62.268 63.100 -0.577 0.000 0.869 401 P CB 0.980 32.062 31.700 -1.031 0.000 0.988 402 L N 4.473 125.706 121.223 0.016 0.000 2.828 402 L HA 0.428 4.768 4.340 -0.001 0.000 0.233 402 L C -1.143 175.950 176.870 0.372 0.000 1.250 402 L CA -0.491 54.505 54.840 0.260 0.000 1.125 402 L CB -1.068 41.136 42.059 0.243 0.000 1.432 402 L HN 0.080 nan 8.230 nan 0.000 0.444 403 F N 0.204 120.435 119.950 0.468 0.000 2.379 403 F HA 0.279 4.806 4.527 -0.000 0.000 0.332 403 F C 1.787 177.753 175.800 0.276 0.000 1.096 403 F CA -0.699 57.489 58.000 0.313 0.000 1.105 403 F CB 0.808 39.929 39.000 0.202 0.000 1.189 403 F HN 0.336 nan 8.300 nan 0.000 0.515 404 E N 1.874 122.274 120.200 0.332 0.000 2.114 404 E HA -0.359 3.991 4.350 -0.001 0.000 0.199 404 E C 1.936 178.624 176.600 0.147 0.000 1.008 404 E CA 2.048 58.563 56.400 0.191 0.000 0.810 404 E CB -0.535 29.228 29.700 0.106 0.000 0.739 404 E HN 0.852 nan 8.360 nan 0.000 0.456 405 H N -0.727 118.334 119.070 -0.015 0.000 2.383 405 H HA -0.247 4.309 4.556 -0.001 0.000 0.286 405 H C 1.668 176.922 175.328 -0.124 0.000 1.126 405 H CA 2.874 58.821 56.048 -0.168 0.000 1.182 405 H CB -0.490 29.029 29.762 -0.405 0.000 1.352 405 H HN 0.311 nan 8.280 nan 0.000 0.480 406 Y N -1.164 119.254 120.300 0.196 0.000 2.347 406 Y HA 0.008 4.558 4.550 -0.000 0.000 0.294 406 Y C 2.913 178.854 175.900 0.069 0.000 1.117 406 Y CA 1.075 59.249 58.100 0.125 0.000 1.184 406 Y CB -0.647 37.937 38.460 0.206 0.000 1.047 406 Y HN 0.178 nan 8.280 nan 0.000 0.546 407 T N 0.558 115.246 114.554 0.222 0.000 2.699 407 T HA -0.262 4.088 4.350 -0.001 0.000 0.268 407 T C 1.970 176.704 174.700 0.056 0.000 1.036 407 T CA 1.706 63.879 62.100 0.121 0.000 1.147 407 T CB -0.316 68.603 68.868 0.086 0.000 0.862 407 T HN 0.254 nan 8.240 nan 0.000 0.446 408 R N 0.990 121.505 120.500 0.025 0.000 2.119 408 R HA -0.180 4.159 4.340 -0.001 0.000 0.246 408 R C 2.416 178.696 176.300 -0.034 0.000 1.146 408 R CA 1.780 57.868 56.100 -0.019 0.000 0.962 408 R CB -0.218 30.051 30.300 -0.052 0.000 0.863 408 R HN 0.537 nan 8.270 nan 0.000 0.442 409 Q N -0.886 118.893 119.800 -0.036 0.000 2.369 409 Q HA -0.051 4.289 4.340 -0.001 0.000 0.206 409 Q C 1.788 177.761 176.000 -0.045 0.000 0.963 409 Q CA 0.796 56.551 55.803 -0.080 0.000 0.894 409 Q CB 0.434 29.120 28.738 -0.087 0.000 0.965 409 Q HN 0.204 nan 8.270 nan 0.000 0.475 410 V N -0.080 119.849 119.914 0.025 0.000 3.263 410 V HA -0.028 4.091 4.120 -0.001 0.000 0.248 410 V C 1.583 177.704 176.094 0.046 0.000 1.145 410 V CA 0.302 62.650 62.300 0.080 0.000 1.107 410 V CB 0.321 32.242 31.823 0.164 0.000 0.797 410 V HN 0.329 nan 8.190 nan 0.000 0.467 411 I N 1.390 121.964 120.570 0.006 0.000 2.761 411 I HA -0.002 4.168 4.170 -0.001 0.000 0.261 411 I C 0.487 176.589 176.117 -0.024 0.000 1.198 411 I CA 0.829 62.114 61.300 -0.024 0.000 1.482 411 I CB -0.633 37.347 38.000 -0.034 0.000 1.100 411 I HN 0.582 nan 8.210 nan 0.000 0.445 412 D N -0.121 120.264 120.400 -0.025 0.000 2.256 412 D HA 0.259 4.899 4.640 -0.001 0.000 0.250 412 D C -0.427 175.861 176.300 -0.020 0.000 1.093 412 D CA -0.338 53.645 54.000 -0.028 0.000 0.882 412 D CB 1.248 42.025 40.800 -0.039 0.000 1.185 412 D HN -0.036 nan 8.370 nan 0.000 0.437 413 C N 2.762 122.054 119.300 -0.013 0.000 2.947 413 C HA 0.164 4.624 4.460 -0.001 0.000 0.401 413 C C 0.855 175.844 174.990 -0.002 0.000 1.019 413 C CA -0.479 58.538 59.018 -0.002 0.000 1.230 413 C CB 0.965 28.712 27.740 0.013 0.000 1.644 413 C HN 0.830 nan 8.230 nan 0.000 0.523 414 Q N 2.248 122.047 119.800 -0.001 0.000 2.014 414 Q HA -0.113 4.226 4.340 -0.001 0.000 0.207 414 Q C 1.360 177.362 176.000 0.003 0.000 0.993 414 Q CA 2.385 58.188 55.803 -0.000 0.000 0.850 414 Q CB -0.034 28.705 28.738 0.001 0.000 0.916 414 Q HN 0.795 nan 8.270 nan 0.000 0.417 415 L N -1.388 119.839 121.223 0.008 0.000 2.253 415 L HA 0.387 4.726 4.340 -0.001 0.000 0.205 415 L C 0.731 177.607 176.870 0.010 0.000 1.078 415 L CA 0.963 55.808 54.840 0.009 0.000 0.805 415 L CB -0.724 41.343 42.059 0.013 0.000 0.963 415 L HN 0.203 nan 8.230 nan 0.000 0.459 416 A N -1.695 121.134 122.820 0.015 0.000 2.470 416 A HA 0.481 4.800 4.320 -0.001 0.000 0.271 416 A C 0.425 178.014 177.584 0.007 0.000 1.269 416 A CA -0.327 51.721 52.037 0.017 0.000 0.828 416 A CB 0.323 19.345 19.000 0.038 0.000 1.374 416 A HN 0.053 nan 8.150 nan 0.000 0.454 417 D N -1.047 119.355 120.400 0.003 0.000 2.137 417 D HA 0.141 4.781 4.640 -0.001 0.000 0.202 417 D C 0.535 176.812 176.300 -0.038 0.000 0.970 417 D CA 1.713 55.697 54.000 -0.027 0.000 0.837 417 D CB 0.099 40.872 40.800 -0.046 0.000 0.981 417 D HN 0.273 nan 8.370 nan 0.000 0.475 418 V N 0.004 119.916 119.914 -0.003 0.000 3.130 418 V HA 0.423 4.543 4.120 -0.001 0.000 0.310 418 V C -0.342 175.845 176.094 0.154 0.000 1.158 418 V CA -1.156 61.146 62.300 0.004 0.000 1.029 418 V CB 2.631 34.342 31.823 -0.187 0.000 1.057 418 V HN -0.017 nan 8.190 nan 0.000 0.436 419 N N 1.462 120.322 118.700 0.267 0.000 2.295 419 N HA 0.180 4.920 4.740 -0.001 0.000 0.293 419 N C 0.438 176.155 175.510 0.345 0.000 1.040 419 N CA -0.377 52.825 53.050 0.252 0.000 0.840 419 N CB 2.078 40.634 38.487 0.115 0.000 1.468 419 N HN 0.831 nan 8.380 nan 0.000 0.478 420 N N 3.497 122.303 118.700 0.176 0.000 2.443 420 N HA -0.101 4.638 4.740 -0.001 0.000 0.184 420 N C 0.631 175.995 175.510 -0.243 0.000 1.037 420 N CA 1.059 53.968 53.050 -0.234 0.000 0.896 420 N CB -0.216 38.140 38.487 -0.219 0.000 0.959 420 N HN 0.647 nan 8.380 nan 0.000 0.442 421 I N -4.619 115.908 120.570 -0.072 0.000 2.892 421 I HA 0.739 4.909 4.170 -0.001 0.000 0.306 421 I C 0.423 176.535 176.117 -0.008 0.000 1.078 421 I CA -1.655 59.612 61.300 -0.055 0.000 1.032 421 I CB 1.977 39.950 38.000 -0.045 0.000 1.229 421 I HN -0.127 nan 8.210 nan 0.000 0.435 422 G N 1.930 110.725 108.800 -0.009 0.000 2.528 422 G HA2 0.314 4.274 3.960 -0.001 0.000 0.289 422 G HA3 0.314 4.274 3.960 -0.001 0.000 0.289 422 G C 0.224 175.054 174.900 -0.117 0.000 1.192 422 G CA -0.734 44.347 45.100 -0.032 0.000 0.921 422 G HN 0.811 nan 8.290 nan 0.000 0.512 423 K N -0.816 119.410 120.400 -0.290 0.000 2.218 423 K HA -0.069 4.251 4.320 -0.001 0.000 0.205 423 K C -0.175 176.161 176.600 -0.440 0.000 1.046 423 K CA 1.373 57.359 56.287 -0.501 0.000 0.933 423 K CB -0.174 31.758 32.500 -0.946 0.000 0.728 423 K HN 0.531 nan 8.250 nan 0.000 0.454 424 Y N -1.302 119.021 120.300 0.039 0.000 2.665 424 Y HA 0.283 4.833 4.550 -0.001 0.000 0.336 424 Y C 0.867 176.795 175.900 0.047 0.000 1.085 424 Y CA -1.683 56.442 58.100 0.042 0.000 1.096 424 Y CB 0.731 39.220 38.460 0.049 0.000 1.301 424 Y HN -0.299 nan 8.280 nan 0.000 0.493 425 R N -0.664 119.970 120.500 0.224 0.000 2.148 425 R HA 0.089 4.428 4.340 -0.001 0.000 0.223 425 R C 0.219 176.596 176.300 0.129 0.000 1.088 425 R CA 0.502 56.681 56.100 0.133 0.000 0.985 425 R CB -1.207 29.147 30.300 0.090 0.000 0.880 425 R HN 0.380 nan 8.270 nan 0.000 0.451 426 S N 0.764 116.564 115.700 0.165 0.000 2.589 426 S HA 0.401 4.871 4.470 -0.001 0.000 0.265 426 S C 0.884 175.602 174.600 0.196 0.000 1.342 426 S CA -0.022 58.276 58.200 0.163 0.000 1.005 426 S CB 0.774 64.076 63.200 0.170 0.000 0.909 426 S HN 0.605 nan 8.310 nan 0.000 0.555 427 A N 0.233 123.165 122.820 0.187 0.000 2.783 427 A HA -0.166 4.154 4.320 -0.001 0.000 0.292 427 A C 1.619 179.258 177.584 0.093 0.000 1.495 427 A CA 1.054 53.205 52.037 0.190 0.000 0.787 427 A CB -2.185 17.081 19.000 0.443 0.000 1.017 427 A HN 1.357 nan 8.150 nan 0.000 0.516 428 G N -0.597 108.249 108.800 0.077 0.000 2.513 428 G HA2 0.005 3.964 3.960 -0.001 0.000 0.219 428 G HA3 0.005 3.964 3.960 -0.001 0.000 0.219 428 G C 1.672 176.585 174.900 0.022 0.000 1.160 428 G CA 1.988 47.117 45.100 0.048 0.000 0.767 428 G HN 1.951 nan 8.290 nan 0.000 0.571 429 A N -0.863 121.993 122.820 0.060 0.000 2.119 429 A HA 0.133 4.452 4.320 -0.001 0.000 0.216 429 A C 2.399 179.967 177.584 -0.026 0.000 1.152 429 A CA 1.476 53.579 52.037 0.110 0.000 0.708 429 A CB -0.456 18.717 19.000 0.287 0.000 0.805 429 A HN 0.433 nan 8.150 nan 0.000 0.460 430 C N -1.488 117.766 119.300 -0.076 0.000 2.485 430 C HA 0.015 4.475 4.460 -0.001 0.000 0.278 430 C C 2.817 177.595 174.990 -0.354 0.000 1.356 430 C CA 1.302 60.100 59.018 -0.367 0.000 1.747 430 C CB -1.076 26.111 27.740 -0.921 0.000 2.001 430 C HN 0.604 nan 8.230 nan 0.000 0.501 431 T N 1.145 115.621 114.554 -0.131 0.000 2.942 431 T HA 0.009 4.359 4.350 -0.001 0.000 0.265 431 T C 2.112 176.810 174.700 -0.003 0.000 1.062 431 T CA 1.365 63.479 62.100 0.024 0.000 1.139 431 T CB -0.209 68.707 68.868 0.080 0.000 0.883 431 T HN 0.595 nan 8.240 nan 0.000 0.468 432 A N 1.326 124.082 122.820 -0.106 0.000 1.929 432 A HA 0.360 4.679 4.320 -0.001 0.000 0.216 432 A C 2.536 179.989 177.584 -0.218 0.000 1.176 432 A CA 1.421 53.369 52.037 -0.149 0.000 0.628 432 A CB -0.830 18.075 19.000 -0.158 0.000 0.816 432 A HN 0.469 nan 8.150 nan 0.000 0.444 433 A N -0.487 122.054 122.820 -0.465 0.000 2.016 433 A HA 0.370 4.690 4.320 -0.001 0.000 0.217 433 A C 2.232 179.710 177.584 -0.176 0.000 1.162 433 A CA 1.440 53.102 52.037 -0.624 0.000 0.662 433 A CB -0.580 17.540 19.000 -1.465 0.000 0.812 433 A HN 0.942 nan 8.150 nan 0.000 0.450 434 A N -1.664 121.117 122.820 -0.065 0.000 2.169 434 A HA 0.239 4.559 4.320 -0.001 0.000 0.212 434 A C 1.711 179.383 177.584 0.146 0.000 1.153 434 A CA 0.813 52.915 52.037 0.108 0.000 0.756 434 A CB -0.586 18.525 19.000 0.185 0.000 0.813 434 A HN 0.606 nan 8.150 nan 0.000 0.471 435 F N 0.539 120.492 119.950 0.005 0.000 2.128 435 F HA -0.014 4.513 4.527 -0.000 0.000 0.295 435 F C 1.661 177.532 175.800 0.118 0.000 1.100 435 F CA 1.458 59.491 58.000 0.055 0.000 1.260 435 F CB -0.256 38.775 39.000 0.051 0.000 1.009 435 F HN 0.125 nan 8.300 nan 0.000 0.476 436 L N 0.418 121.874 121.223 0.389 0.000 2.191 436 L HA -0.189 4.150 4.340 -0.001 0.000 0.212 436 L C 2.336 179.154 176.870 -0.085 0.000 1.103 436 L CA 1.353 56.357 54.840 0.273 0.000 0.769 436 L CB -0.737 41.462 42.059 0.234 0.000 0.908 436 L HN 0.090 nan 8.230 nan 0.000 0.438 437 K N 0.495 120.855 120.400 -0.066 0.000 2.209 437 K HA -0.172 4.147 4.320 -0.001 0.000 0.204 437 K C 1.878 178.309 176.600 -0.282 0.000 1.048 437 K CA 1.213 57.365 56.287 -0.225 0.000 0.940 437 K CB -0.054 32.550 32.500 0.172 0.000 0.729 437 K HN 0.182 nan 8.250 nan 0.000 0.451 438 E N -0.755 119.255 120.200 -0.317 0.000 2.409 438 E HA -0.119 4.231 4.350 -0.001 0.000 0.198 438 E C 0.539 176.609 176.600 -0.883 0.000 1.024 438 E CA 0.747 56.801 56.400 -0.577 0.000 0.861 438 E CB -0.010 29.222 29.700 -0.779 0.000 0.788 438 E HN 0.357 nan 8.360 nan 0.000 0.521 439 F N -0.367 119.428 119.950 -0.257 0.000 2.661 439 F HA 0.144 4.671 4.527 -0.000 0.000 0.306 439 F C 0.302 176.015 175.800 -0.145 0.000 1.094 439 F CA -0.146 57.745 58.000 -0.181 0.000 1.254 439 F CB 0.936 39.854 39.000 -0.137 0.000 1.040 439 F HN -0.325 nan 8.300 nan 0.000 0.562 440 V N -0.026 119.764 119.914 -0.206 0.000 2.709 440 V HA 0.353 4.473 4.120 -0.001 0.000 0.308 440 V C 0.460 176.455 176.094 -0.165 0.000 1.062 440 V CA -0.375 61.841 62.300 -0.139 0.000 0.901 440 V CB 1.922 33.315 31.823 -0.718 0.000 1.003 440 V HN 0.230 nan 8.190 nan 0.000 0.425 441 T N -1.767 112.693 114.554 -0.156 0.000 3.058 441 T HA 0.186 4.536 4.350 -0.001 0.000 0.278 441 T C 0.375 175.100 174.700 0.042 0.000 0.974 441 T CA -0.031 61.998 62.100 -0.119 0.000 0.893 441 T CB -0.198 68.533 68.868 -0.228 0.000 1.138 441 T HN 0.649 nan 8.240 nan 0.000 0.529 442 H N 3.298 122.479 119.070 0.184 0.000 2.652 442 H HA 0.243 4.799 4.556 -0.000 0.000 0.349 442 H C -1.625 173.840 175.328 0.229 0.000 1.099 442 H CA -1.337 54.861 56.048 0.250 0.000 1.417 442 H CB 2.078 32.052 29.762 0.352 0.000 1.457 442 H HN 0.016 nan 8.280 nan 0.000 0.568 443 P HA 0.006 nan 4.420 nan 0.000 0.227 443 P C -0.381 177.048 177.300 0.214 0.000 1.161 443 P CA 0.825 63.928 63.100 0.005 0.000 0.788 443 P CB 0.686 32.331 31.700 -0.091 0.000 0.822 444 K N -0.015 120.616 120.400 0.385 0.000 2.533 444 K HA 0.189 4.509 4.320 -0.001 0.000 0.207 444 K C -1.082 175.849 176.600 0.552 0.000 1.052 444 K CA -0.511 56.065 56.287 0.481 0.000 1.030 444 K CB 0.344 33.142 32.500 0.498 0.000 1.522 444 K HN 0.049 nan 8.250 nan 0.000 0.543 445 W N 1.865 123.337 121.300 0.287 0.000 2.551 445 W HA 0.559 5.219 4.660 -0.001 0.000 0.330 445 W C -1.420 175.181 176.519 0.136 0.000 1.063 445 W CA -0.714 56.742 57.345 0.186 0.000 1.222 445 W CB 1.424 31.006 29.460 0.203 0.000 1.349 445 W HN 0.398 nan 8.180 nan 0.000 0.536 446 A N 4.568 126.971 122.820 -0.696 0.000 2.414 446 A HA 0.405 4.725 4.320 -0.001 0.000 0.286 446 A C -2.024 175.197 177.584 -0.604 0.000 1.073 446 A CA -0.638 51.008 52.037 -0.651 0.000 0.727 446 A CB 0.466 19.273 19.000 -0.321 0.000 1.215 446 A HN 0.786 nan 8.150 nan 0.000 0.430 447 H N 3.250 121.885 119.070 -0.725 0.000 2.562 447 H HA 0.632 5.188 4.556 -0.001 0.000 0.314 447 H C -1.142 174.129 175.328 -0.096 0.000 1.079 447 H CA -0.585 55.299 56.048 -0.274 0.000 1.349 447 H CB 0.588 30.225 29.762 -0.209 0.000 1.432 447 H HN 0.460 nan 8.280 nan 0.000 0.479 448 L N 5.227 126.225 121.223 -0.376 0.000 2.316 448 L HA 0.227 4.567 4.340 -0.001 0.000 0.280 448 L C -0.280 176.301 176.870 -0.481 0.000 1.006 448 L CA -0.730 53.902 54.840 -0.347 0.000 0.836 448 L CB 1.431 43.387 42.059 -0.172 0.000 1.221 448 L HN 0.695 nan 8.230 nan 0.000 0.418 449 D N 3.391 123.496 120.400 -0.492 0.000 2.347 449 D HA 0.204 4.844 4.640 -0.001 0.000 0.235 449 D C 0.598 176.846 176.300 -0.087 0.000 1.149 449 D CA -0.223 53.635 54.000 -0.237 0.000 0.850 449 D CB 1.543 42.304 40.800 -0.065 0.000 1.061 449 D HN 0.348 nan 8.370 nan 0.000 0.487 450 I N 3.121 123.657 120.570 -0.057 0.000 3.735 450 I HA 0.041 4.211 4.170 -0.001 0.000 0.310 450 I C 2.049 178.155 176.117 -0.018 0.000 1.270 450 I CA 0.225 61.507 61.300 -0.030 0.000 1.207 450 I CB 0.115 38.098 38.000 -0.028 0.000 1.013 450 I HN 0.473 nan 8.210 nan 0.000 0.452 451 A N 0.099 122.911 122.820 -0.013 0.000 2.066 451 A HA 0.065 4.384 4.320 -0.001 0.000 0.218 451 A C 2.369 179.945 177.584 -0.012 0.000 1.157 451 A CA 1.348 53.377 52.037 -0.013 0.000 0.670 451 A CB -0.847 18.148 19.000 -0.008 0.000 0.804 451 A HN 0.415 nan 8.150 nan 0.000 0.453 452 G N -0.561 108.233 108.800 -0.010 0.000 2.539 452 G HA2 0.120 4.079 3.960 -0.001 0.000 0.215 452 G HA3 0.120 4.079 3.960 -0.001 0.000 0.215 452 G C 1.155 176.049 174.900 -0.011 0.000 1.141 452 G CA 1.115 46.208 45.100 -0.012 0.000 0.806 452 G HN 0.937 nan 8.290 nan 0.000 0.533 453 V N -1.777 118.133 119.914 -0.007 0.000 3.421 453 V HA 0.389 4.509 4.120 -0.001 0.000 0.316 453 V C 1.945 178.036 176.094 -0.006 0.000 1.347 453 V CA 0.376 62.674 62.300 -0.003 0.000 1.183 453 V CB 0.108 31.936 31.823 0.008 0.000 1.092 453 V HN 0.270 nan 8.190 nan 0.000 0.433 454 M N 0.905 120.499 119.600 -0.010 0.000 2.159 454 M HA 0.022 4.502 4.480 -0.001 0.000 0.263 454 M C 0.882 177.177 176.300 -0.007 0.000 1.063 454 M CA 1.586 56.879 55.300 -0.012 0.000 1.110 454 M CB 0.224 32.814 32.600 -0.017 0.000 1.374 454 M HN 0.503 nan 8.290 nan 0.000 0.411 455 T N 0.157 114.708 114.554 -0.006 0.000 2.908 455 T HA 0.404 4.753 4.350 -0.001 0.000 0.290 455 T C -1.224 173.471 174.700 -0.007 0.000 1.034 455 T CA -0.730 61.370 62.100 -0.002 0.000 1.010 455 T CB 1.692 70.561 68.868 0.001 0.000 1.068 455 T HN 0.253 nan 8.240 nan 0.000 0.481 456 N N 0.407 119.104 118.700 -0.005 0.000 2.381 456 N HA 0.565 5.305 4.740 -0.001 0.000 0.294 456 N C 0.231 175.735 175.510 -0.010 0.000 1.216 456 N CA -0.652 52.387 53.050 -0.018 0.000 0.803 456 N CB 1.658 40.123 38.487 -0.036 0.000 1.372 456 N HN 0.486 nan 8.380 nan 0.000 0.500 457 K N -0.746 119.644 120.400 -0.017 0.000 2.763 457 K HA 0.158 4.478 4.320 -0.001 0.000 0.207 457 K C -0.437 176.154 176.600 -0.016 0.000 1.532 457 K CA 0.387 56.667 56.287 -0.010 0.000 1.059 457 K CB 0.703 33.199 32.500 -0.007 0.000 1.854 457 K HN 0.738 nan 8.250 nan 0.000 0.497 458 D N -0.322 120.064 120.400 -0.022 0.000 2.412 458 D HA 0.005 4.644 4.640 -0.001 0.000 0.326 458 D C 0.617 176.901 176.300 -0.026 0.000 1.209 458 D CA 0.178 54.165 54.000 -0.020 0.000 0.876 458 D CB 0.405 41.200 40.800 -0.009 0.000 1.344 458 D HN 0.011 nan 8.370 nan 0.000 0.503 459 E N 0.791 120.972 120.200 -0.032 0.000 2.076 459 E HA 0.074 4.423 4.350 -0.001 0.000 0.190 459 E C 0.612 177.192 176.600 -0.032 0.000 0.979 459 E CA 0.681 57.068 56.400 -0.022 0.000 0.807 459 E CB 0.534 30.223 29.700 -0.019 0.000 0.761 459 E HN 0.065 nan 8.360 nan 0.000 0.454 460 V N 2.632 122.485 119.914 -0.101 0.000 2.370 460 V HA 0.110 4.230 4.120 -0.001 0.000 0.279 460 V C -1.864 174.051 176.094 -0.298 0.000 1.029 460 V CA -1.307 60.849 62.300 -0.240 0.000 0.870 460 V CB 1.475 33.105 31.823 -0.322 0.000 0.984 460 V HN 0.003 nan 8.190 nan 0.000 0.451 461 P HA -0.066 nan 4.420 nan 0.000 0.214 461 P C 1.110 178.365 177.300 -0.076 0.000 1.162 461 P CA 0.987 64.028 63.100 -0.098 0.000 0.871 461 P CB 0.001 31.726 31.700 0.042 0.000 0.783 462 Y N -1.975 118.319 120.300 -0.010 0.000 2.542 462 Y HA 0.406 4.956 4.550 -0.001 0.000 0.326 462 Y C 0.099 176.004 175.900 0.009 0.000 1.218 462 Y CA -0.599 57.495 58.100 -0.011 0.000 1.277 462 Y CB -1.054 37.384 38.460 -0.037 0.000 1.064 462 Y HN -0.186 nan 8.280 nan 0.000 0.499 463 L N 2.152 123.265 121.223 -0.183 0.000 2.349 463 L HA 0.463 4.803 4.340 -0.001 0.000 0.278 463 L C -0.221 176.634 176.870 -0.024 0.000 0.996 463 L CA -1.276 53.517 54.840 -0.079 0.000 0.825 463 L CB 1.623 43.576 42.059 -0.177 0.000 1.243 463 L HN 0.177 nan 8.230 nan 0.000 0.412 464 R N 2.561 123.086 120.500 0.041 0.000 2.649 464 R HA 0.341 4.681 4.340 -0.001 0.000 0.270 464 R C -0.254 176.066 176.300 0.034 0.000 1.105 464 R CA -0.901 55.220 56.100 0.035 0.000 1.193 464 R CB 0.412 30.741 30.300 0.047 0.000 1.120 464 R HN 0.371 nan 8.270 nan 0.000 0.561 465 K N 1.313 121.728 120.400 0.025 0.000 2.472 465 K HA 0.139 4.459 4.320 -0.001 0.000 0.280 465 K C 0.476 177.103 176.600 0.044 0.000 1.028 465 K CA 0.775 57.076 56.287 0.024 0.000 1.045 465 K CB 0.515 33.026 32.500 0.019 0.000 0.902 465 K HN 0.884 nan 8.250 nan 0.000 0.478 466 G N 1.715 110.541 108.800 0.042 0.000 2.293 466 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.282 466 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.282 466 G C -0.892 174.040 174.900 0.053 0.000 1.299 466 G CA -1.058 44.078 45.100 0.059 0.000 1.018 466 G HN 0.309 nan 8.290 nan 0.000 0.478 467 M N 1.088 120.724 119.600 0.061 0.000 2.248 467 M HA 0.459 4.938 4.480 -0.001 0.000 0.345 467 M C 1.597 177.914 176.300 0.030 0.000 1.243 467 M CA 0.613 55.933 55.300 0.033 0.000 1.090 467 M CB 0.497 33.107 32.600 0.017 0.000 1.683 467 M HN 1.230 nan 8.290 nan 0.000 0.450 468 A N 2.438 125.261 122.820 0.004 0.000 1.956 468 A HA 0.409 4.728 4.320 -0.001 0.000 0.212 468 A C 1.377 178.947 177.584 -0.023 0.000 1.188 468 A CA 0.851 52.884 52.037 -0.007 0.000 0.675 468 A CB -0.463 18.530 19.000 -0.011 0.000 0.845 468 A HN 1.176 nan 8.150 nan 0.000 0.455 469 G N -0.132 108.652 108.800 -0.027 0.000 2.198 469 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.257 469 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.257 469 G C 0.070 174.961 174.900 -0.014 0.000 1.042 469 G CA 0.294 45.373 45.100 -0.036 0.000 0.791 469 G HN 0.606 nan 8.290 nan 0.000 0.502 470 R N -0.034 120.465 120.500 -0.001 0.000 2.428 470 R HA 0.433 4.773 4.340 -0.001 0.000 0.294 470 R C -2.137 174.174 176.300 0.017 0.000 1.000 470 R CA -1.643 54.466 56.100 0.016 0.000 0.960 470 R CB 1.754 32.066 30.300 0.020 0.000 1.076 470 R HN 0.116 nan 8.270 nan 0.000 0.475 471 P HA 0.134 nan 4.420 nan 0.000 0.231 471 P C 0.208 177.538 177.300 0.051 0.000 1.833 471 P CA -0.177 62.951 63.100 0.046 0.000 1.023 471 P CB 0.315 32.045 31.700 0.050 0.000 1.643 472 T N 0.599 115.172 114.554 0.031 0.000 2.649 472 T HA -0.217 4.133 4.350 -0.001 0.000 0.268 472 T C 1.826 176.534 174.700 0.013 0.000 1.036 472 T CA 1.542 63.649 62.100 0.012 0.000 1.157 472 T CB -0.343 68.508 68.868 -0.027 0.000 0.861 472 T HN 0.343 nan 8.240 nan 0.000 0.445 473 R N 0.476 121.005 120.500 0.048 0.000 2.120 473 R HA -0.042 4.298 4.340 -0.001 0.000 0.234 473 R C 2.739 179.138 176.300 0.165 0.000 1.123 473 R CA 1.477 57.652 56.100 0.125 0.000 0.975 473 R CB -0.672 29.753 30.300 0.208 0.000 0.866 473 R HN 0.377 nan 8.270 nan 0.000 0.446 474 T N 1.606 116.235 114.554 0.125 0.000 2.737 474 T HA -0.097 4.252 4.350 -0.001 0.000 0.265 474 T C 1.788 176.590 174.700 0.170 0.000 1.038 474 T CA 0.825 62.999 62.100 0.124 0.000 1.144 474 T CB -0.161 68.752 68.868 0.074 0.000 0.866 474 T HN 0.006 nan 8.240 nan 0.000 0.434 475 L N 0.927 122.243 121.223 0.155 0.000 1.971 475 L HA -0.069 4.271 4.340 -0.001 0.000 0.215 475 L C 2.319 179.334 176.870 0.242 0.000 1.072 475 L CA 1.640 56.623 54.840 0.239 0.000 0.758 475 L CB -0.695 41.496 42.059 0.220 0.000 0.889 475 L HN 0.295 nan 8.230 nan 0.000 0.433 476 I N -1.060 119.542 120.570 0.054 0.000 2.194 476 I HA -0.306 3.864 4.170 -0.001 0.000 0.246 476 I C 2.453 178.616 176.117 0.076 0.000 1.093 476 I CA 1.432 62.667 61.300 -0.109 0.000 1.355 476 I CB -0.408 37.266 38.000 -0.543 0.000 1.046 476 I HN 0.301 nan 8.210 nan 0.000 0.413 477 E N 1.067 121.425 120.200 0.265 0.000 2.153 477 E HA -0.251 4.099 4.350 -0.001 0.000 0.194 477 E C 1.932 178.716 176.600 0.306 0.000 0.988 477 E CA 1.243 57.864 56.400 0.369 0.000 0.811 477 E CB -0.366 29.514 29.700 0.301 0.000 0.746 477 E HN 0.479 nan 8.360 nan 0.000 0.466 478 F N 0.262 120.306 119.950 0.157 0.000 2.146 478 F HA -0.023 4.504 4.527 -0.001 0.000 0.298 478 F C 1.655 177.576 175.800 0.202 0.000 1.096 478 F CA 1.217 59.303 58.000 0.143 0.000 1.275 478 F CB -0.158 38.901 39.000 0.098 0.000 1.008 478 F HN 0.029 nan 8.300 nan 0.000 0.480 479 L N -0.991 120.242 121.223 0.017 0.000 2.291 479 L HA -0.128 4.212 4.340 -0.001 0.000 0.214 479 L C 2.276 179.173 176.870 0.046 0.000 1.120 479 L CA 0.793 55.591 54.840 -0.071 0.000 0.799 479 L CB -0.731 41.322 42.059 -0.010 0.000 0.925 479 L HN 0.237 nan 8.230 nan 0.000 0.446 480 F N 0.798 120.752 119.950 0.006 0.000 2.146 480 F HA -0.145 4.382 4.527 -0.001 0.000 0.298 480 F C 2.644 178.465 175.800 0.035 0.000 1.096 480 F CA 1.407 59.437 58.000 0.050 0.000 1.275 480 F CB -0.034 39.045 39.000 0.131 0.000 1.008 480 F HN -0.162 nan 8.300 nan 0.000 0.480 481 R N -1.132 119.485 120.500 0.194 0.000 2.115 481 R HA -0.124 4.216 4.340 -0.001 0.000 0.226 481 R C 2.181 178.466 176.300 -0.025 0.000 1.100 481 R CA 1.457 57.609 56.100 0.087 0.000 0.980 481 R CB -0.658 29.713 30.300 0.118 0.000 0.875 481 R HN 0.373 nan 8.270 nan 0.000 0.445 482 F N 1.368 121.165 119.950 -0.254 0.000 2.163 482 F HA -0.184 4.342 4.527 -0.000 0.000 0.297 482 F C 2.557 178.269 175.800 -0.146 0.000 1.094 482 F CA 1.582 59.438 58.000 -0.240 0.000 1.290 482 F CB -0.214 38.518 39.000 -0.447 0.000 1.017 482 F HN -0.039 nan 8.300 nan 0.000 0.483 483 S N -0.324 115.430 115.700 0.090 0.000 2.383 483 S HA -0.112 4.358 4.470 -0.001 0.000 0.227 483 S C 1.214 175.724 174.600 -0.150 0.000 1.026 483 S CA 0.307 58.504 58.200 -0.006 0.000 0.981 483 S CB -0.521 62.653 63.200 -0.043 0.000 0.818 483 S HN 0.318 nan 8.310 nan 0.000 0.472 484 Q N 0.000 119.648 119.800 -0.253 0.000 2.315 484 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 484 Q CA 0.000 55.655 55.803 -0.247 0.000 1.022 484 Q CB 0.000 28.525 28.738 -0.356 0.000 1.108 484 Q HN 0.000 nan 8.270 nan 0.000 0.481