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 3feq_1_C DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRGXXLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIKIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD EGARVEYVLQ DATA SEQUENCE RGTLVKRQ 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.693 174.700 -0.012 0.000 1.109 2 T CA 0.000 62.093 62.100 -0.011 0.000 1.349 2 T CB 0.000 68.861 68.868 -0.011 0.000 0.612 3 I N -0.072 120.490 120.570 -0.014 0.000 2.841 3 I HA 0.658 4.828 4.170 -0.000 0.000 0.298 3 I C -1.829 174.278 176.117 -0.018 0.000 1.304 3 I CA -0.186 61.105 61.300 -0.014 0.000 1.019 3 I CB 2.307 40.300 38.000 -0.011 0.000 1.282 3 I HN 0.981 nan 8.210 nan 0.000 0.432 4 T N 5.391 119.932 114.554 -0.020 0.000 2.909 4 T HA 0.648 4.998 4.350 -0.000 0.000 0.299 4 T C -1.436 173.250 174.700 -0.023 0.000 1.073 4 T CA -0.514 61.568 62.100 -0.029 0.000 0.999 4 T CB 2.160 71.002 68.868 -0.042 0.000 1.098 4 T HN 0.302 nan 8.240 nan 0.000 0.477 5 V N 3.696 123.595 119.914 -0.025 0.000 2.525 5 V HA 0.381 4.501 4.120 -0.000 0.000 0.299 5 V C -0.993 175.079 176.094 -0.036 0.000 1.034 5 V CA -0.979 61.318 62.300 -0.005 0.000 0.863 5 V CB 1.669 33.513 31.823 0.034 0.000 0.999 5 V HN 0.642 nan 8.190 nan 0.000 0.423 6 L N 5.847 127.041 121.223 -0.048 0.000 2.315 6 L HA 0.428 4.768 4.340 -0.000 0.000 0.283 6 L C 0.399 177.218 176.870 -0.086 0.000 1.089 6 L CA 0.262 55.047 54.840 -0.091 0.000 0.833 6 L CB 0.677 42.677 42.059 -0.099 0.000 1.170 6 L HN 0.830 nan 8.230 nan 0.000 0.442 7 Q N 1.139 120.857 119.800 -0.137 0.000 2.316 7 Q HA 0.630 4.970 4.340 -0.000 0.000 0.264 7 Q C 0.593 176.323 176.000 -0.450 0.000 0.987 7 Q CA -0.445 55.171 55.803 -0.312 0.000 0.852 7 Q CB 1.770 30.468 28.738 -0.067 0.000 1.287 7 Q HN 0.783 nan 8.270 nan 0.000 0.448 8 G N 1.919 110.230 108.800 -0.815 0.000 2.176 8 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.252 8 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.252 8 G C 0.307 175.024 174.900 -0.305 0.000 1.024 8 G CA -0.185 44.663 45.100 -0.419 0.000 0.755 8 G HN 1.001 nan 8.290 nan 0.000 0.507 9 G N -0.652 108.007 108.800 -0.235 0.000 2.537 9 G HA2 0.497 4.457 3.960 -0.000 0.000 0.273 9 G HA3 0.497 4.457 3.960 -0.000 0.000 0.273 9 G C -0.033 174.791 174.900 -0.128 0.000 1.189 9 G CA -0.439 44.565 45.100 -0.160 0.000 0.881 9 G HN 0.486 nan 8.290 nan 0.000 0.535 10 N N 0.066 118.696 118.700 -0.117 0.000 2.645 10 N HA 0.315 5.055 4.740 -0.000 0.000 0.233 10 N C -0.549 174.920 175.510 -0.068 0.000 1.058 10 N CA -0.520 52.479 53.050 -0.084 0.000 0.942 10 N CB 2.038 40.473 38.487 -0.087 0.000 1.210 10 N HN 0.177 nan 8.380 nan 0.000 0.512 11 V N 3.083 122.954 119.914 -0.072 0.000 2.439 11 V HA 0.030 4.150 4.120 -0.000 0.000 0.271 11 V C 0.576 176.619 176.094 -0.085 0.000 1.040 11 V CA -0.434 61.821 62.300 -0.075 0.000 1.002 11 V CB 0.690 32.467 31.823 -0.075 0.000 1.000 11 V HN 0.634 nan 8.190 nan 0.000 0.477 12 L N 5.561 126.750 121.223 -0.057 0.000 2.369 12 L HA 0.280 4.620 4.340 -0.000 0.000 0.279 12 L C 0.277 177.123 176.870 -0.040 0.000 1.108 12 L CA 0.209 55.023 54.840 -0.044 0.000 0.852 12 L CB 0.484 42.528 42.059 -0.024 0.000 1.169 12 L HN 0.689 nan 8.230 nan 0.000 0.452 13 D N 4.499 124.872 120.400 -0.045 0.000 2.256 13 D HA 0.191 4.831 4.640 -0.000 0.000 0.240 13 D C 0.489 176.781 176.300 -0.012 0.000 1.062 13 D CA -0.402 53.579 54.000 -0.031 0.000 0.832 13 D CB 1.957 42.729 40.800 -0.046 0.000 1.135 13 D HN 0.513 nan 8.370 nan 0.000 0.484 14 L N 2.946 124.170 121.223 0.003 0.000 2.408 14 L HA 0.009 4.349 4.340 -0.000 0.000 0.215 14 L C 2.312 179.193 176.870 0.019 0.000 1.081 14 L CA 0.173 55.022 54.840 0.016 0.000 0.840 14 L CB 0.106 42.183 42.059 0.030 0.000 1.002 14 L HN 0.483 nan 8.230 nan 0.000 0.468 15 E N 0.347 120.557 120.200 0.016 0.000 2.358 15 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 15 E C 1.745 178.353 176.600 0.013 0.000 1.010 15 E CA 0.731 57.141 56.400 0.018 0.000 0.856 15 E CB 0.068 29.779 29.700 0.018 0.000 0.795 15 E HN 0.442 nan 8.360 nan 0.000 0.504 16 R N -0.088 120.415 120.500 0.006 0.000 2.195 16 R HA 0.185 4.525 4.340 -0.000 0.000 0.197 16 R C 1.085 177.387 176.300 0.003 0.000 0.990 16 R CA 0.696 56.798 56.100 0.003 0.000 1.048 16 R CB 0.537 30.835 30.300 -0.003 0.000 0.997 16 R HN 0.282 nan 8.270 nan 0.000 0.502 17 G N 0.994 109.795 108.800 0.001 0.000 2.165 17 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.226 17 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.226 17 G C -0.219 174.678 174.900 -0.004 0.000 1.035 17 G CA 0.072 45.173 45.100 0.003 0.000 0.744 17 G HN 0.244 nan 8.290 nan 0.000 0.501 18 V N -2.593 117.313 119.914 -0.013 0.000 2.925 18 V HA 0.804 4.924 4.120 -0.000 0.000 0.311 18 V C 0.680 176.753 176.094 -0.035 0.000 1.104 18 V CA -1.698 60.591 62.300 -0.019 0.000 0.954 18 V CB 2.087 33.900 31.823 -0.016 0.000 1.022 18 V HN 0.293 nan 8.190 nan 0.000 0.427 19 L N 3.202 124.404 121.223 -0.034 0.000 2.426 19 L HA 0.406 4.746 4.340 -0.000 0.000 0.271 19 L C -0.414 176.414 176.870 -0.069 0.000 1.169 19 L CA -0.242 54.568 54.840 -0.049 0.000 0.836 19 L CB 0.872 42.911 42.059 -0.034 0.000 1.112 19 L HN 0.555 nan 8.230 nan 0.000 0.465 20 L N 4.109 125.255 121.223 -0.128 0.000 2.335 20 L HA 0.258 4.598 4.340 -0.000 0.000 0.268 20 L C 0.237 177.081 176.870 -0.042 0.000 1.037 20 L CA -0.731 53.982 54.840 -0.212 0.000 0.895 20 L CB 0.776 42.449 42.059 -0.644 0.000 1.266 20 L HN 0.613 nan 8.230 nan 0.000 0.439 21 E N 2.783 123.041 120.200 0.097 0.000 2.404 21 E HA -0.015 4.335 4.350 -0.000 0.000 0.261 21 E C 0.179 176.956 176.600 0.295 0.000 1.074 21 E CA -0.384 56.090 56.400 0.124 0.000 0.917 21 E CB 0.305 30.094 29.700 0.148 0.000 0.965 21 E HN 0.530 nan 8.360 nan 0.000 0.433 22 H N -0.279 118.857 119.070 0.109 0.000 2.776 22 H HA -0.168 4.388 4.556 -0.000 0.000 0.300 22 H C -0.613 174.769 175.328 0.089 0.000 1.161 22 H CA 1.170 57.252 56.048 0.056 0.000 1.147 22 H CB -1.890 27.895 29.762 0.039 0.000 1.366 22 H HN 0.511 nan 8.280 nan 0.000 0.397 23 H N 0.433 119.534 119.070 0.052 0.000 2.548 23 H HA 0.262 4.818 4.556 -0.000 0.000 0.331 23 H C 0.897 176.246 175.328 0.036 0.000 1.093 23 H CA -0.092 56.015 56.048 0.098 0.000 1.367 23 H CB 0.644 30.441 29.762 0.058 0.000 1.455 23 H HN 0.296 nan 8.280 nan 0.000 0.519 24 H N 1.277 120.390 119.070 0.070 0.000 2.481 24 H HA 0.358 4.914 4.556 -0.000 0.000 0.339 24 H C -0.391 174.961 175.328 0.040 0.000 1.131 24 H CA -0.704 55.364 56.048 0.033 0.000 1.301 24 H CB 2.192 31.955 29.762 0.003 0.000 1.476 24 H HN 0.291 nan 8.280 nan 0.000 0.529 25 V N 3.431 123.415 119.914 0.116 0.000 2.483 25 V HA 0.282 4.402 4.120 -0.000 0.000 0.297 25 V C -0.986 175.133 176.094 0.042 0.000 1.027 25 V CA -0.578 61.762 62.300 0.067 0.000 0.855 25 V CB 1.259 33.099 31.823 0.029 0.000 0.995 25 V HN 0.448 nan 8.190 nan 0.000 0.424 26 V N 8.137 128.073 119.914 0.036 0.000 2.347 26 V HA 0.530 4.650 4.120 -0.000 0.000 0.280 26 V C -0.086 176.011 176.094 0.005 0.000 1.021 26 V CA -0.577 61.734 62.300 0.019 0.000 0.847 26 V CB 1.294 33.127 31.823 0.017 0.000 0.990 26 V HN 0.710 nan 8.190 nan 0.000 0.444 27 I N 3.731 124.298 120.570 -0.005 0.000 2.336 27 I HA 0.457 4.627 4.170 -0.000 0.000 0.292 27 I C -0.316 175.795 176.117 -0.010 0.000 0.991 27 I CA -0.257 61.037 61.300 -0.010 0.000 1.227 27 I CB 1.401 39.388 38.000 -0.021 0.000 1.366 27 I HN 0.635 nan 8.210 nan 0.000 0.466 28 D N 4.049 124.444 120.400 -0.007 0.000 2.492 28 D HA 0.577 5.217 4.640 -0.000 0.000 0.248 28 D C 0.700 176.995 176.300 -0.008 0.000 1.101 28 D CA 0.565 54.560 54.000 -0.008 0.000 0.840 28 D CB 1.619 42.416 40.800 -0.005 0.000 1.209 28 D HN 0.822 nan 8.370 nan 0.000 0.524 29 G N 4.063 112.857 108.800 -0.010 0.000 2.601 29 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.306 29 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.306 29 G C 0.690 175.582 174.900 -0.012 0.000 1.172 29 G CA 0.571 45.665 45.100 -0.010 0.000 0.966 29 G HN 0.586 nan 8.290 nan 0.000 0.542 30 E N 0.971 121.166 120.200 -0.009 0.000 2.526 30 E HA 0.204 4.554 4.350 -0.000 0.000 0.208 30 E C 0.961 177.557 176.600 -0.007 0.000 0.997 30 E CA -0.213 56.181 56.400 -0.010 0.000 0.961 30 E CB 0.698 30.392 29.700 -0.010 0.000 1.030 30 E HN 0.387 nan 8.360 nan 0.000 0.483 31 R N 0.853 121.350 120.500 -0.004 0.000 2.787 31 R HA 0.503 4.843 4.340 -0.000 0.000 0.271 31 R C -0.145 176.154 176.300 -0.001 0.000 0.993 31 R CA -0.826 55.274 56.100 -0.000 0.000 0.993 31 R CB 1.855 32.157 30.300 0.003 0.000 1.155 31 R HN -0.048 nan 8.270 nan 0.000 0.486 32 I N 2.009 122.580 120.570 0.002 0.000 2.371 32 I HA 0.036 4.206 4.170 -0.000 0.000 0.290 32 I C 1.090 177.212 176.117 0.008 0.000 1.028 32 I CA -0.138 61.165 61.300 0.004 0.000 1.345 32 I CB 1.396 39.400 38.000 0.006 0.000 1.407 32 I HN 0.405 nan 8.210 nan 0.000 0.501 33 V N 3.943 123.862 119.914 0.008 0.000 3.379 33 V HA 0.221 4.341 4.120 -0.000 0.000 0.249 33 V C 0.520 176.622 176.094 0.013 0.000 1.184 33 V CA 0.410 62.716 62.300 0.009 0.000 1.106 33 V CB -0.118 31.707 31.823 0.004 0.000 0.826 33 V HN 0.724 nan 8.190 nan 0.000 0.465 34 E N -0.014 120.197 120.200 0.019 0.000 2.321 34 E HA 0.529 4.879 4.350 -0.000 0.000 0.281 34 E C -1.951 174.677 176.600 0.047 0.000 0.910 34 E CA -0.268 56.148 56.400 0.027 0.000 0.770 34 E CB 3.149 32.859 29.700 0.017 0.000 1.225 34 E HN 0.058 nan 8.360 nan 0.000 0.417 35 V N 2.419 122.371 119.914 0.064 0.000 2.378 35 V HA 0.688 4.808 4.120 -0.000 0.000 0.288 35 V C -0.062 176.124 176.094 0.153 0.000 1.016 35 V CA -0.418 61.948 62.300 0.109 0.000 0.840 35 V CB 1.489 33.370 31.823 0.096 0.000 0.994 35 V HN 0.726 nan 8.190 nan 0.000 0.431 36 T N 1.947 116.600 114.554 0.164 0.000 2.733 36 T HA 0.369 4.719 4.350 -0.000 0.000 0.312 36 T C -0.882 173.768 174.700 -0.083 0.000 1.590 36 T CA 0.076 62.206 62.100 0.049 0.000 1.005 36 T CB 2.084 70.950 68.868 -0.002 0.000 1.528 36 T HN 0.796 nan 8.240 nan 0.000 0.496 37 D N 0.095 120.357 120.400 -0.230 0.000 2.498 37 D HA 0.091 4.731 4.640 -0.000 0.000 0.223 37 D C 0.882 177.079 176.300 -0.172 0.000 1.125 37 D CA -0.396 53.490 54.000 -0.190 0.000 0.835 37 D CB -0.163 40.438 40.800 -0.330 0.000 1.086 37 D HN 0.533 nan 8.370 nan 0.000 0.510 38 R N 3.134 123.542 120.500 -0.152 0.000 3.924 38 R HA -0.041 4.299 4.340 -0.000 0.000 0.279 38 R C -1.888 174.272 176.300 -0.232 0.000 0.562 38 R CA -0.631 55.382 56.100 -0.144 0.000 1.007 38 R CB -0.552 29.688 30.300 -0.099 0.000 0.920 38 R HN 0.023 nan 8.270 nan 0.000 0.332 39 P HA -0.157 nan 4.420 nan 0.000 0.258 39 P C -0.242 176.927 177.300 -0.220 0.000 1.136 39 P CA 0.450 63.391 63.100 -0.264 0.000 0.761 39 P CB 0.176 31.794 31.700 -0.137 0.000 0.724 40 V N 0.280 120.042 119.914 -0.254 0.000 2.407 40 V HA 0.383 4.503 4.120 -0.000 0.000 0.278 40 V C 0.360 176.404 176.094 -0.084 0.000 1.037 40 V CA -0.581 61.632 62.300 -0.144 0.000 0.900 40 V CB 1.400 33.150 31.823 -0.122 0.000 0.983 40 V HN 0.336 nan 8.190 nan 0.000 0.459 41 D N 5.077 125.441 120.400 -0.059 0.000 2.493 41 D HA 0.575 5.215 4.640 -0.000 0.000 0.235 41 D C -0.837 175.446 176.300 -0.028 0.000 1.117 41 D CA -0.096 53.881 54.000 -0.039 0.000 0.930 41 D CB 0.362 41.142 40.800 -0.035 0.000 1.010 41 D HN 0.645 nan 8.370 nan 0.000 0.514 42 L N 3.747 124.957 121.223 -0.022 0.000 2.491 42 L HA 0.446 4.786 4.340 -0.000 0.000 0.267 42 L C -1.634 175.230 176.870 -0.011 0.000 0.971 42 L CA -1.251 53.579 54.840 -0.016 0.000 0.857 42 L CB 2.069 44.119 42.059 -0.014 0.000 1.226 42 L HN -0.061 nan 8.230 nan 0.000 0.408 43 P HA -0.089 nan 4.420 nan 0.000 0.222 43 P C 0.685 177.981 177.300 -0.008 0.000 1.153 43 P CA 1.085 64.180 63.100 -0.008 0.000 0.798 43 P CB 0.084 31.779 31.700 -0.008 0.000 0.796 44 N N -0.084 118.610 118.700 -0.009 0.000 2.609 44 N HA 0.053 4.793 4.740 -0.000 0.000 0.190 44 N C 0.896 176.400 175.510 -0.010 0.000 1.157 44 N CA 0.167 53.211 53.050 -0.009 0.000 0.918 44 N CB -0.347 38.134 38.487 -0.009 0.000 0.978 44 N HN 0.091 nan 8.380 nan 0.000 0.448 45 A N 0.369 123.183 122.820 -0.010 0.000 2.251 45 A HA 0.289 4.609 4.320 -0.000 0.000 0.278 45 A C -0.085 177.490 177.584 -0.015 0.000 1.206 45 A CA -0.309 51.721 52.037 -0.012 0.000 0.822 45 A CB 0.255 19.250 19.000 -0.009 0.000 1.187 45 A HN 0.401 nan 8.150 nan 0.000 0.504 46 Q N -1.196 118.592 119.800 -0.020 0.000 2.337 46 Q HA 0.573 4.912 4.340 -0.000 0.000 0.264 46 Q C -0.908 175.068 176.000 -0.040 0.000 1.007 46 Q CA -0.248 55.539 55.803 -0.027 0.000 0.727 46 Q CB 1.434 30.155 28.738 -0.028 0.000 1.256 46 Q HN 1.058 nan 8.270 nan 0.000 0.467 47 A N 4.098 126.894 122.820 -0.041 0.000 2.330 47 A HA 0.908 5.228 4.320 -0.000 0.000 0.329 47 A C -1.012 176.524 177.584 -0.081 0.000 1.135 47 A CA -0.657 51.351 52.037 -0.048 0.000 0.817 47 A CB 1.035 20.022 19.000 -0.021 0.000 1.269 47 A HN 0.756 nan 8.150 nan 0.000 0.469 48 I N 0.914 121.415 120.570 -0.114 0.000 2.571 48 I HA 0.180 4.350 4.170 -0.000 0.000 0.286 48 I C -1.352 174.669 176.117 -0.160 0.000 1.134 48 I CA -0.345 60.840 61.300 -0.191 0.000 1.052 48 I CB 2.275 40.057 38.000 -0.363 0.000 1.237 48 I HN 0.717 nan 8.210 nan 0.000 0.435 49 D N 5.591 125.931 120.400 -0.100 0.000 2.336 49 D HA 0.305 4.945 4.640 -0.000 0.000 0.249 49 D C -0.230 176.040 176.300 -0.049 0.000 1.213 49 D CA 0.112 54.077 54.000 -0.059 0.000 0.870 49 D CB 1.019 41.810 40.800 -0.015 0.000 1.076 49 D HN 0.210 nan 8.370 nan 0.000 0.483 50 V N 5.531 125.397 119.914 -0.080 0.000 2.737 50 V HA 0.167 4.287 4.120 -0.000 0.000 0.320 50 V C 0.376 176.419 176.094 -0.085 0.000 1.174 50 V CA -0.801 61.463 62.300 -0.060 0.000 1.355 50 V CB -0.505 31.264 31.823 -0.090 0.000 1.558 50 V HN 0.500 nan 8.190 nan 0.000 0.618 51 R N 1.833 122.296 120.500 -0.061 0.000 2.389 51 R HA 0.361 4.701 4.340 -0.000 0.000 0.295 51 R C 0.769 177.022 176.300 -0.078 0.000 1.075 51 R CA 0.811 56.863 56.100 -0.080 0.000 1.005 51 R CB 0.537 30.828 30.300 -0.014 0.000 0.987 51 R HN 0.779 nan 8.270 nan 0.000 0.452 52 G N 2.901 111.616 108.800 -0.143 0.000 2.283 52 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.280 52 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.280 52 G C -0.529 174.331 174.900 -0.068 0.000 1.029 52 G CA 0.849 45.890 45.100 -0.099 0.000 0.840 52 G HN 0.672 nan 8.290 nan 0.000 0.505 53 K N -0.359 119.995 120.400 -0.078 0.000 2.468 53 K HA 0.485 4.805 4.320 -0.000 0.000 0.252 53 K C -0.273 176.293 176.600 -0.055 0.000 0.932 53 K CA -0.692 55.568 56.287 -0.046 0.000 0.794 53 K CB 1.637 34.130 32.500 -0.012 0.000 1.241 53 K HN 0.048 nan 8.250 nan 0.000 0.428 54 T N 1.695 116.223 114.554 -0.044 0.000 2.761 54 T HA 0.112 4.462 4.350 -0.000 0.000 0.296 54 T C -0.571 174.103 174.700 -0.044 0.000 0.934 54 T CA -0.386 61.687 62.100 -0.047 0.000 1.091 54 T CB 0.683 69.527 68.868 -0.040 0.000 0.896 54 T HN 0.286 nan 8.240 nan 0.000 0.515 55 V N 7.524 127.407 119.914 -0.051 0.000 2.347 55 V HA 0.753 4.872 4.120 -0.000 0.000 0.280 55 V C -0.405 175.657 176.094 -0.053 0.000 1.021 55 V CA -0.765 61.503 62.300 -0.053 0.000 0.847 55 V CB 0.418 32.208 31.823 -0.054 0.000 0.990 55 V HN 0.932 nan 8.190 nan 0.000 0.444 56 M N 6.222 125.782 119.600 -0.065 0.000 2.727 56 M HA 0.827 5.307 4.480 -0.000 0.000 0.300 56 M C -2.919 173.334 176.300 -0.079 0.000 1.246 56 M CA -2.314 52.956 55.300 -0.050 0.000 0.835 56 M CB 1.925 34.520 32.600 -0.009 0.000 1.755 56 M HN 0.248 nan 8.290 nan 0.000 0.473 57 P HA 0.189 nan 4.420 nan 0.000 0.269 57 P C -0.045 177.166 177.300 -0.148 0.000 1.215 57 P CA 0.089 63.156 63.100 -0.055 0.000 0.780 57 P CB 0.235 31.939 31.700 0.007 0.000 0.898 58 G N 1.682 110.368 108.800 -0.189 0.000 2.491 58 G HA2 0.276 4.236 3.960 -0.000 0.000 0.242 58 G HA3 0.276 4.236 3.960 -0.000 0.000 0.242 58 G C -0.643 174.148 174.900 -0.182 0.000 1.266 58 G CA -0.286 44.607 45.100 -0.345 0.000 0.844 58 G HN 0.219 nan 8.290 nan 0.000 0.571 59 F N -0.012 119.837 119.950 -0.168 0.000 2.418 59 F HA 0.464 4.991 4.527 -0.000 0.000 0.341 59 F C 0.860 176.679 175.800 0.033 0.000 1.120 59 F CA -1.066 56.815 58.000 -0.198 0.000 1.232 59 F CB 0.835 39.426 39.000 -0.683 0.000 1.175 59 F HN 0.138 nan 8.300 nan 0.000 0.569 60 I N 2.085 122.844 120.570 0.314 0.000 2.406 60 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 60 I C -0.763 175.562 176.117 0.346 0.000 0.999 60 I CA -0.733 60.756 61.300 0.316 0.000 1.124 60 I CB 1.709 39.832 38.000 0.205 0.000 1.289 60 I HN 0.405 nan 8.210 nan 0.000 0.441 61 D N 5.097 125.716 120.400 0.366 0.000 2.303 61 D HA 0.271 4.911 4.640 -0.000 0.000 0.236 61 D C 0.105 176.530 176.300 0.208 0.000 1.068 61 D CA -0.395 53.793 54.000 0.314 0.000 0.830 61 D CB 1.896 42.742 40.800 0.076 0.000 1.109 61 D HN 0.574 nan 8.370 nan 0.000 0.496 62 C N 2.506 121.929 119.300 0.204 0.000 2.697 62 C HA 0.176 4.636 4.460 -0.000 0.000 0.267 62 C C 0.717 175.764 174.990 0.095 0.000 1.278 62 C CA -0.173 58.912 59.018 0.112 0.000 1.708 62 C CB -1.548 26.240 27.740 0.079 0.000 1.860 62 C HN 0.583 nan 8.230 nan 0.000 0.589 63 H N 0.163 119.223 119.070 -0.016 0.000 3.021 63 H HA 0.490 5.046 4.556 -0.000 0.000 0.293 63 H C -0.745 174.531 175.328 -0.087 0.000 1.244 63 H CA -0.149 55.850 56.048 -0.082 0.000 1.596 63 H CB 0.626 30.321 29.762 -0.112 0.000 1.720 63 H HN 0.106 nan 8.280 nan 0.000 0.537 64 V N 1.066 120.905 119.914 -0.126 0.000 2.960 64 V HA 0.544 4.664 4.120 -0.000 0.000 0.315 64 V C -0.500 175.413 176.094 -0.302 0.000 1.087 64 V CA -0.829 61.434 62.300 -0.063 0.000 0.982 64 V CB 2.406 34.231 31.823 0.003 0.000 1.039 64 V HN 0.731 nan 8.190 nan 0.000 0.437 65 H N 1.815 120.958 119.070 0.123 0.000 2.645 65 H HA 0.381 4.937 4.556 -0.000 0.000 0.257 65 H C 0.724 176.123 175.328 0.119 0.000 1.269 65 H CA -0.272 55.832 56.048 0.092 0.000 1.409 65 H CB 1.802 31.622 29.762 0.096 0.000 1.434 65 H HN 0.549 nan 8.280 nan 0.000 0.505 66 V N 2.527 122.496 119.914 0.091 0.000 2.469 66 V HA -0.261 3.859 4.120 -0.000 0.000 0.251 66 V C 2.178 178.278 176.094 0.010 0.000 1.064 66 V CA 1.633 63.933 62.300 -0.001 0.000 1.066 66 V CB -0.216 31.585 31.823 -0.036 0.000 0.667 66 V HN 0.563 nan 8.190 nan 0.000 0.461 67 L N -0.065 121.196 121.223 0.062 0.000 2.558 67 L HA 0.268 4.607 4.340 -0.000 0.000 0.225 67 L C 1.601 178.507 176.870 0.061 0.000 1.128 67 L CA 0.270 55.136 54.840 0.043 0.000 0.868 67 L CB -0.258 41.825 42.059 0.039 0.000 1.006 67 L HN 0.243 nan 8.230 nan 0.000 0.454 68 A N 0.059 122.956 122.820 0.128 0.000 2.981 68 A HA 0.123 4.443 4.320 -0.000 0.000 0.280 68 A C 1.545 179.192 177.584 0.106 0.000 1.797 68 A CA 0.471 52.568 52.037 0.099 0.000 1.456 68 A CB -0.454 18.618 19.000 0.119 0.000 1.057 68 A HN 0.404 nan 8.150 nan 0.000 0.602 69 S N 0.850 116.571 115.700 0.035 0.000 2.527 69 S HA 0.025 4.495 4.470 -0.000 0.000 0.222 69 S C 0.437 175.024 174.600 -0.021 0.000 0.985 69 S CA 0.251 58.460 58.200 0.014 0.000 0.921 69 S CB -0.524 62.667 63.200 -0.016 0.000 0.772 69 S HN 0.930 nan 8.310 nan 0.000 0.529 70 N N -1.325 117.352 118.700 -0.038 0.000 2.329 70 N HA 0.660 5.400 4.740 -0.000 0.000 0.282 70 N C 0.325 175.794 175.510 -0.068 0.000 1.198 70 N CA -0.382 52.631 53.050 -0.062 0.000 0.790 70 N CB 1.059 39.510 38.487 -0.060 0.000 1.579 70 N HN -0.067 nan 8.380 nan 0.000 0.475 71 A N 0.648 123.436 122.820 -0.052 0.000 2.067 71 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 71 A C 0.806 178.358 177.584 -0.054 0.000 1.158 71 A CA 0.761 52.781 52.037 -0.029 0.000 0.661 71 A CB -0.706 18.326 19.000 0.053 0.000 0.801 71 A HN 0.724 nan 8.150 nan 0.000 0.452 72 N N 0.934 119.591 118.700 -0.072 0.000 2.439 72 N HA 0.250 4.990 4.740 -0.000 0.000 0.243 72 N C 0.589 175.951 175.510 -0.247 0.000 1.088 72 N CA -0.058 52.916 53.050 -0.126 0.000 0.940 72 N CB 0.590 39.027 38.487 -0.084 0.000 1.180 72 N HN 0.338 nan 8.380 nan 0.000 0.505 73 L N 2.367 123.342 121.223 -0.412 0.000 2.217 73 L HA 0.015 4.355 4.340 -0.000 0.000 0.211 73 L C 2.242 178.539 176.870 -0.955 0.000 1.107 73 L CA 0.786 55.215 54.840 -0.684 0.000 0.783 73 L CB -0.268 41.267 42.059 -0.873 0.000 0.919 73 L HN 0.552 nan 8.230 nan 0.000 0.442 74 G N -0.301 107.972 108.800 -0.878 0.000 2.480 74 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 74 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 74 G C 1.585 176.343 174.900 -0.235 0.000 1.200 74 G CA 0.941 45.758 45.100 -0.473 0.000 0.782 74 G HN 0.183 nan 8.290 nan 0.000 0.554 75 V N 0.880 120.685 119.914 -0.181 0.000 2.809 75 V HA -0.081 4.039 4.120 -0.000 0.000 0.256 75 V C 2.468 178.501 176.094 -0.101 0.000 1.080 75 V CA 2.008 64.247 62.300 -0.103 0.000 1.102 75 V CB -0.383 31.398 31.823 -0.069 0.000 0.705 75 V HN 0.472 nan 8.190 nan 0.000 0.475 76 N N 0.438 119.049 118.700 -0.148 0.000 2.120 76 N HA -0.140 4.600 4.740 -0.000 0.000 0.188 76 N C 1.785 177.246 175.510 -0.083 0.000 1.024 76 N CA 1.628 54.609 53.050 -0.115 0.000 0.852 76 N CB -0.295 38.105 38.487 -0.145 0.000 1.003 76 N HN 0.482 nan 8.380 nan 0.000 0.424 77 A N -0.772 121.987 122.820 -0.103 0.000 1.969 77 A HA -0.099 4.220 4.320 -0.000 0.000 0.218 77 A C 2.065 179.649 177.584 0.001 0.000 1.169 77 A CA 1.949 53.970 52.037 -0.026 0.000 0.635 77 A CB -0.935 18.073 19.000 0.012 0.000 0.810 77 A HN 0.549 nan 8.150 nan 0.000 0.445 78 T N -1.398 113.146 114.554 -0.016 0.000 3.086 78 T HA 0.166 4.516 4.350 -0.000 0.000 0.250 78 T C 0.754 175.453 174.700 -0.003 0.000 1.074 78 T CA 0.174 62.274 62.100 -0.000 0.000 0.988 78 T CB -0.433 68.433 68.868 -0.003 0.000 0.988 78 T HN 0.699 nan 8.240 nan 0.000 0.530 79 Q N 1.635 121.428 119.800 -0.010 0.000 2.373 79 Q HA 0.381 4.721 4.340 -0.000 0.000 0.255 79 Q C -2.764 173.237 176.000 0.001 0.000 0.980 79 Q CA -2.044 53.754 55.803 -0.008 0.000 0.882 79 Q CB 0.025 28.753 28.738 -0.016 0.000 1.249 79 Q HN 0.080 nan 8.270 nan 0.000 0.438 80 P HA 0.008 nan 4.420 nan 0.000 0.268 80 P C -0.144 177.162 177.300 0.009 0.000 1.205 80 P CA -0.224 62.880 63.100 0.006 0.000 0.771 80 P CB 0.579 32.280 31.700 0.003 0.000 0.858 81 N N 2.388 121.098 118.700 0.015 0.000 2.018 81 N HA -0.173 4.566 4.740 -0.000 0.000 0.196 81 N C 1.529 177.046 175.510 0.013 0.000 1.043 81 N CA 1.140 54.202 53.050 0.020 0.000 0.856 81 N CB -0.838 37.665 38.487 0.027 0.000 1.042 81 N HN 0.468 nan 8.380 nan 0.000 0.423 82 I N 0.553 121.128 120.570 0.009 0.000 2.361 82 I HA -0.151 4.019 4.170 -0.000 0.000 0.251 82 I C 1.712 177.828 176.117 -0.002 0.000 1.133 82 I CA 1.061 62.363 61.300 0.004 0.000 1.413 82 I CB -0.522 37.480 38.000 0.003 0.000 1.073 82 I HN 0.108 nan 8.210 nan 0.000 0.424 83 L N 1.234 122.456 121.223 -0.003 0.000 2.056 83 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 83 L C 2.956 179.820 176.870 -0.010 0.000 1.078 83 L CA 1.348 56.184 54.840 -0.008 0.000 0.749 83 L CB -0.639 41.415 42.059 -0.008 0.000 0.901 83 L HN 0.300 nan 8.230 nan 0.000 0.433 84 A N -0.049 122.768 122.820 -0.005 0.000 1.917 84 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 84 A C 2.444 180.023 177.584 -0.008 0.000 1.182 84 A CA 2.120 54.154 52.037 -0.005 0.000 0.633 84 A CB -0.786 18.216 19.000 0.004 0.000 0.819 84 A HN 0.476 nan 8.150 nan 0.000 0.448 85 A N -0.121 122.696 122.820 -0.006 0.000 1.841 85 A HA -0.004 4.316 4.320 -0.000 0.000 0.214 85 A C 1.977 179.548 177.584 -0.021 0.000 1.195 85 A CA 1.569 53.600 52.037 -0.011 0.000 0.611 85 A CB -0.559 18.438 19.000 -0.006 0.000 0.835 85 A HN 0.380 nan 8.150 nan 0.000 0.443 86 I N 0.246 120.804 120.570 -0.019 0.000 2.145 86 I HA -0.256 3.914 4.170 -0.000 0.000 0.244 86 I C 2.435 178.533 176.117 -0.031 0.000 1.075 86 I CA 1.590 62.876 61.300 -0.024 0.000 1.332 86 I CB -1.399 36.589 38.000 -0.020 0.000 1.033 86 I HN 0.341 nan 8.210 nan 0.000 0.410 87 R N 0.399 120.881 120.500 -0.031 0.000 2.237 87 R HA -0.083 4.257 4.340 -0.000 0.000 0.219 87 R C 2.250 178.520 176.300 -0.050 0.000 1.080 87 R CA 1.294 57.371 56.100 -0.038 0.000 0.995 87 R CB -0.255 30.026 30.300 -0.033 0.000 0.875 87 R HN 0.517 nan 8.270 nan 0.000 0.462 88 S N 0.186 115.857 115.700 -0.049 0.000 2.501 88 S HA 0.050 4.520 4.470 -0.000 0.000 0.220 88 S C 1.953 176.506 174.600 -0.078 0.000 0.997 88 S CA 0.043 58.203 58.200 -0.067 0.000 0.919 88 S CB -0.006 63.164 63.200 -0.050 0.000 0.778 88 S HN 0.192 nan 8.310 nan 0.000 0.523 89 L N 1.311 122.496 121.223 -0.062 0.000 2.017 89 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 89 L C -0.574 176.256 176.870 -0.066 0.000 1.073 89 L CA 1.425 56.229 54.840 -0.060 0.000 0.745 89 L CB -1.981 40.049 42.059 -0.047 0.000 0.894 89 L HN 0.292 nan 8.230 nan 0.000 0.432 90 P HA -0.129 nan 4.420 nan 0.000 0.218 90 P C 1.831 179.073 177.300 -0.096 0.000 1.149 90 P CA 1.333 64.391 63.100 -0.069 0.000 0.817 90 P CB 0.056 31.718 31.700 -0.064 0.000 0.785 91 I N -1.371 119.116 120.570 -0.139 0.000 2.226 91 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 91 I C 2.295 178.299 176.117 -0.188 0.000 1.100 91 I CA 1.380 62.537 61.300 -0.238 0.000 1.374 91 I CB -0.542 37.235 38.000 -0.372 0.000 1.057 91 I HN -0.106 nan 8.210 nan 0.000 0.413 92 L N -0.018 121.127 121.223 -0.131 0.000 2.027 92 L HA -0.228 4.112 4.340 -0.000 0.000 0.206 92 L C 2.222 179.061 176.870 -0.051 0.000 1.074 92 L CA 1.424 56.211 54.840 -0.088 0.000 0.745 92 L CB -0.530 41.484 42.059 -0.076 0.000 0.898 92 L HN 0.231 nan 8.230 nan 0.000 0.433 93 D N -0.129 120.241 120.400 -0.050 0.000 2.149 93 D HA -0.185 4.455 4.640 -0.000 0.000 0.198 93 D C 2.107 178.401 176.300 -0.011 0.000 0.990 93 D CA 1.363 55.346 54.000 -0.029 0.000 0.839 93 D CB 0.173 40.953 40.800 -0.033 0.000 0.948 93 D HN 0.278 nan 8.370 nan 0.000 0.460 94 A N -0.195 122.612 122.820 -0.022 0.000 1.897 94 A HA -0.088 4.231 4.320 -0.000 0.000 0.215 94 A C 2.301 179.919 177.584 0.056 0.000 1.181 94 A CA 1.180 53.220 52.037 0.004 0.000 0.620 94 A CB -0.541 18.446 19.000 -0.021 0.000 0.821 94 A HN 0.258 nan 8.150 nan 0.000 0.443 95 M N -1.165 118.459 119.600 0.040 0.000 2.149 95 M HA -0.147 4.333 4.480 -0.000 0.000 0.261 95 M C 2.165 178.605 176.300 0.233 0.000 1.064 95 M CA 1.443 56.817 55.300 0.123 0.000 1.102 95 M CB -0.373 32.241 32.600 0.023 0.000 1.369 95 M HN 0.477 nan 8.290 nan 0.000 0.408 96 L N 0.174 121.471 121.223 0.122 0.000 2.056 96 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 96 L C 2.665 179.583 176.870 0.080 0.000 1.078 96 L CA 2.087 56.986 54.840 0.098 0.000 0.749 96 L CB -0.617 41.464 42.059 0.037 0.000 0.901 96 L HN 0.350 nan 8.230 nan 0.000 0.433 97 S N -0.790 114.953 115.700 0.070 0.000 2.423 97 S HA -0.177 4.293 4.470 -0.000 0.000 0.231 97 S C 2.017 176.665 174.600 0.079 0.000 1.014 97 S CA 0.737 58.966 58.200 0.048 0.000 0.965 97 S CB -0.650 62.569 63.200 0.031 0.000 0.785 97 S HN 0.548 nan 8.310 nan 0.000 0.495 98 R N 0.893 121.496 120.500 0.171 0.000 2.339 98 R HA 0.190 4.530 4.340 -0.000 0.000 0.199 98 R C 1.569 177.975 176.300 0.178 0.000 1.018 98 R CA 0.511 56.757 56.100 0.244 0.000 1.036 98 R CB -0.357 30.200 30.300 0.428 0.000 0.899 98 R HN 0.669 nan 8.270 nan 0.000 0.473 99 G N 0.078 108.900 108.800 0.037 0.000 2.179 99 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 99 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 99 G C -0.100 174.565 174.900 -0.391 0.000 0.990 99 G CA -0.680 44.242 45.100 -0.297 0.000 0.646 99 G HN 0.180 nan 8.290 nan 0.000 0.517 100 F N 2.204 122.215 119.950 0.103 0.000 2.444 100 F HA 0.478 5.005 4.527 -0.000 0.000 0.360 100 F C 1.748 177.567 175.800 0.031 0.000 1.106 100 F CA 0.739 58.812 58.000 0.122 0.000 1.170 100 F CB 1.575 40.667 39.000 0.155 0.000 1.113 100 F HN 0.078 nan 8.300 nan 0.000 0.521 101 T N -2.416 112.218 114.554 0.134 0.000 3.001 101 T HA 0.241 4.591 4.350 -0.000 0.000 0.251 101 T C 0.390 175.145 174.700 0.092 0.000 1.040 101 T CA -0.133 62.003 62.100 0.061 0.000 0.985 101 T CB 0.174 69.032 68.868 -0.017 0.000 1.011 101 T HN 0.320 nan 8.240 nan 0.000 0.509 102 S N 1.037 116.842 115.700 0.175 0.000 2.540 102 S HA 0.739 5.209 4.470 -0.000 0.000 0.275 102 S C -0.987 173.764 174.600 0.251 0.000 1.123 102 S CA -0.798 57.522 58.200 0.200 0.000 0.907 102 S CB 2.390 65.766 63.200 0.293 0.000 1.081 102 S HN 0.592 nan 8.310 nan 0.000 0.476 103 V N 0.433 120.475 119.914 0.214 0.000 2.888 103 V HA 0.689 4.809 4.120 -0.000 0.000 0.309 103 V C -0.738 175.493 176.094 0.230 0.000 1.114 103 V CA -1.141 61.269 62.300 0.184 0.000 0.940 103 V CB 1.861 33.729 31.823 0.075 0.000 1.021 103 V HN 0.873 nan 8.190 nan 0.000 0.426 104 R N 2.018 122.624 120.500 0.177 0.000 2.233 104 R HA 0.390 4.730 4.340 -0.000 0.000 0.334 104 R C -0.533 175.757 176.300 -0.017 0.000 1.037 104 R CA -0.337 55.846 56.100 0.139 0.000 0.920 104 R CB 0.572 30.917 30.300 0.075 0.000 1.137 104 R HN 1.024 nan 8.270 nan 0.000 0.492 105 D N 2.489 122.870 120.400 -0.033 0.000 2.389 105 D HA 0.095 4.735 4.640 -0.000 0.000 0.247 105 D C -0.073 176.088 176.300 -0.232 0.000 1.128 105 D CA 0.188 54.102 54.000 -0.142 0.000 0.884 105 D CB 1.153 41.908 40.800 -0.075 0.000 1.194 105 D HN 0.588 nan 8.370 nan 0.000 0.441 106 A N 3.532 126.068 122.820 -0.472 0.000 3.003 106 A HA 0.614 4.934 4.320 -0.000 0.000 0.301 106 A C 0.528 177.999 177.584 -0.188 0.000 1.280 106 A CA 0.178 51.917 52.037 -0.497 0.000 0.973 106 A CB -0.682 17.657 19.000 -1.101 0.000 1.110 106 A HN 0.862 nan 8.150 nan 0.000 0.590 107 G N -1.800 106.957 108.800 -0.071 0.000 3.233 107 G HA2 0.461 4.421 3.960 -0.000 0.000 0.686 107 G HA3 0.461 4.421 3.960 -0.000 0.000 0.686 107 G C 0.651 175.628 174.900 0.128 0.000 1.153 107 G CA 0.203 45.336 45.100 0.055 0.000 0.853 107 G HN 2.182 nan 8.290 nan 0.000 0.582 108 G N 0.564 109.400 108.800 0.061 0.000 2.981 108 G HA2 0.430 4.390 3.960 -0.000 0.000 0.198 108 G HA3 0.430 4.390 3.960 -0.000 0.000 0.198 108 G C 1.054 175.970 174.900 0.027 0.000 1.806 108 G CA 1.277 46.414 45.100 0.062 0.000 1.374 108 G HN 2.622 nan 8.290 nan 0.000 0.555 109 A N 1.699 124.528 122.820 0.016 0.000 2.388 109 A HA 0.590 4.910 4.320 -0.000 0.000 0.257 109 A C 0.327 177.918 177.584 0.012 0.000 1.095 109 A CA 1.006 53.045 52.037 0.004 0.000 0.791 109 A CB 0.204 19.195 19.000 -0.015 0.000 1.029 109 A HN 1.021 nan 8.150 nan 0.000 0.489 110 D N 0.454 120.872 120.400 0.030 0.000 2.616 110 D HA 0.152 4.792 4.640 -0.000 0.000 0.260 110 D C 0.714 177.085 176.300 0.118 0.000 1.158 110 D CA -0.800 53.247 54.000 0.079 0.000 1.085 110 D CB -0.162 40.698 40.800 0.100 0.000 1.222 110 D HN 0.559 nan 8.370 nan 0.000 0.626 111 W N 0.591 121.873 121.300 -0.029 0.000 2.388 111 W HA -0.133 4.527 4.660 -0.000 0.000 0.294 111 W C 1.923 178.423 176.519 -0.031 0.000 1.212 111 W CA 2.335 59.661 57.345 -0.032 0.000 1.271 111 W CB -0.224 29.222 29.460 -0.023 0.000 1.126 111 W HN 0.333 nan 8.180 nan 0.000 0.535 112 S N 0.977 116.752 115.700 0.124 0.000 2.370 112 S HA -0.282 4.188 4.470 -0.000 0.000 0.226 112 S C 1.915 176.394 174.600 -0.200 0.000 1.033 112 S CA 1.548 59.692 58.200 -0.094 0.000 1.011 112 S CB -0.983 62.260 63.200 0.071 0.000 0.852 112 S HN 0.408 nan 8.310 nan 0.000 0.457 113 L N 0.827 121.979 121.223 -0.119 0.000 2.056 113 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 113 L C 2.666 179.425 176.870 -0.186 0.000 1.078 113 L CA 1.363 56.129 54.840 -0.124 0.000 0.749 113 L CB -0.357 41.658 42.059 -0.074 0.000 0.901 113 L HN 0.420 nan 8.230 nan 0.000 0.433 114 M N -0.891 118.574 119.600 -0.225 0.000 2.080 114 M HA -0.287 4.193 4.480 -0.000 0.000 0.260 114 M C 2.238 178.327 176.300 -0.352 0.000 1.068 114 M CA 1.770 56.903 55.300 -0.278 0.000 1.109 114 M CB -0.123 32.309 32.600 -0.281 0.000 1.342 114 M HN 0.243 nan 8.290 nan 0.000 0.405 115 Q N 0.211 119.699 119.800 -0.520 0.000 2.084 115 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 115 Q C 2.216 178.028 176.000 -0.314 0.000 0.978 115 Q CA 1.901 57.388 55.803 -0.526 0.000 0.844 115 Q CB -0.756 27.485 28.738 -0.828 0.000 0.898 115 Q HN 0.730 nan 8.270 nan 0.000 0.426 116 A N 0.831 123.496 122.820 -0.258 0.000 1.908 116 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 116 A C 2.298 179.798 177.584 -0.140 0.000 1.181 116 A CA 2.113 54.050 52.037 -0.167 0.000 0.627 116 A CB -0.850 18.072 19.000 -0.131 0.000 0.818 116 A HN 0.317 nan 8.150 nan 0.000 0.445 117 V N -2.378 117.447 119.914 -0.150 0.000 2.488 117 V HA -0.127 3.993 4.120 -0.000 0.000 0.246 117 V C 1.873 177.893 176.094 -0.124 0.000 1.046 117 V CA 2.262 64.488 62.300 -0.123 0.000 1.053 117 V CB -0.845 30.908 31.823 -0.116 0.000 0.679 117 V HN 0.568 nan 8.190 nan 0.000 0.458 118 E N 1.125 121.231 120.200 -0.156 0.000 2.150 118 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 118 E C 2.181 178.713 176.600 -0.112 0.000 0.985 118 E CA 1.785 58.102 56.400 -0.139 0.000 0.814 118 E CB -0.171 29.428 29.700 -0.168 0.000 0.752 118 E HN 0.904 nan 8.360 nan 0.000 0.466 119 T N -3.366 111.116 114.554 -0.120 0.000 3.107 119 T HA 0.223 4.573 4.350 -0.000 0.000 0.249 119 T C 1.361 176.017 174.700 -0.073 0.000 1.096 119 T CA 0.327 62.373 62.100 -0.091 0.000 1.012 119 T CB 0.617 69.427 68.868 -0.096 0.000 0.977 119 T HN 0.217 nan 8.240 nan 0.000 0.527 120 G N 1.029 109.782 108.800 -0.078 0.000 2.160 120 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 120 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 120 G C 0.410 175.276 174.900 -0.057 0.000 1.022 120 G CA 0.268 45.330 45.100 -0.062 0.000 0.741 120 G HN 0.489 nan 8.290 nan 0.000 0.508 121 L N -0.796 120.387 121.223 -0.067 0.000 2.395 121 L HA 0.515 4.855 4.340 -0.000 0.000 0.218 121 L C 1.095 177.932 176.870 -0.054 0.000 1.130 121 L CA 1.019 55.825 54.840 -0.058 0.000 0.826 121 L CB 0.492 42.512 42.059 -0.065 0.000 0.941 121 L HN 0.255 nan 8.230 nan 0.000 0.451 122 V N -1.772 118.106 119.914 -0.061 0.000 2.932 122 V HA 0.306 4.426 4.120 -0.000 0.000 0.307 122 V C -0.561 175.500 176.094 -0.056 0.000 1.147 122 V CA -0.780 61.486 62.300 -0.057 0.000 0.951 122 V CB 2.259 34.044 31.823 -0.064 0.000 1.031 122 V HN -0.061 nan 8.190 nan 0.000 0.426 123 S N 2.346 118.018 115.700 -0.047 0.000 2.475 123 S HA 0.859 5.329 4.470 -0.000 0.000 0.281 123 S C 0.097 174.673 174.600 -0.041 0.000 1.198 123 S CA 0.538 58.714 58.200 -0.041 0.000 1.063 123 S CB 0.690 63.871 63.200 -0.032 0.000 0.972 123 S HN 1.510 nan 8.310 nan 0.000 0.486 124 G N 4.592 113.368 108.800 -0.039 0.000 2.316 124 G HA2 0.387 4.347 3.960 -0.000 0.000 0.296 124 G HA3 0.387 4.347 3.960 -0.000 0.000 0.296 124 G C -3.621 171.262 174.900 -0.029 0.000 1.399 124 G CA -0.872 44.209 45.100 -0.033 0.000 0.833 124 G HN 0.495 nan 8.290 nan 0.000 0.565 125 P HA 0.342 nan 4.420 nan 0.000 0.272 125 P C -0.051 177.218 177.300 -0.053 0.000 1.240 125 P CA -0.533 62.569 63.100 0.004 0.000 0.791 125 P CB 0.500 32.237 31.700 0.061 0.000 0.978 126 R N 1.695 122.149 120.500 -0.076 0.000 2.570 126 R HA 0.188 4.528 4.340 -0.000 0.000 0.277 126 R C -0.555 175.609 176.300 -0.227 0.000 1.039 126 R CA 0.145 56.133 56.100 -0.187 0.000 1.065 126 R CB -0.422 29.739 30.300 -0.232 0.000 0.964 126 R HN 0.394 nan 8.270 nan 0.000 0.428 127 I N 4.942 125.331 120.570 -0.302 0.000 2.377 127 I HA 0.217 4.387 4.170 -0.000 0.000 0.293 127 I C -0.680 175.193 176.117 -0.405 0.000 0.987 127 I CA -0.651 60.507 61.300 -0.236 0.000 1.185 127 I CB 1.396 39.310 38.000 -0.144 0.000 1.341 127 I HN 0.539 nan 8.210 nan 0.000 0.455 128 F N 7.278 127.218 119.950 -0.017 0.000 2.309 128 F HA 0.331 4.858 4.527 -0.000 0.000 0.366 128 F C -2.034 173.746 175.800 -0.033 0.000 1.104 128 F CA -2.220 55.772 58.000 -0.013 0.000 1.179 128 F CB 0.532 39.534 39.000 0.002 0.000 1.437 128 F HN 0.200 nan 8.300 nan 0.000 0.528 129 P HA 0.134 nan 4.420 nan 0.000 0.279 129 P C 0.034 177.347 177.300 0.022 0.000 1.239 129 P CA -0.197 62.924 63.100 0.036 0.000 0.789 129 P CB 1.891 33.612 31.700 0.036 0.000 0.933 130 S N 1.165 116.854 115.700 -0.018 0.000 2.524 130 S HA 0.230 4.699 4.470 -0.000 0.000 0.216 130 S C 1.367 175.942 174.600 -0.042 0.000 0.987 130 S CA 0.563 58.735 58.200 -0.047 0.000 0.909 130 S CB -0.527 62.632 63.200 -0.069 0.000 0.781 130 S HN 0.884 nan 8.310 nan 0.000 0.521 131 G N 2.338 111.124 108.800 -0.024 0.000 2.595 131 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.297 131 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.297 131 G C -0.461 174.401 174.900 -0.065 0.000 1.181 131 G CA 0.105 45.182 45.100 -0.040 0.000 0.963 131 G HN 0.444 nan 8.290 nan 0.000 0.541 132 K N 1.030 121.365 120.400 -0.109 0.000 2.324 132 K HA 0.701 5.021 4.320 -0.000 0.000 0.253 132 K C 0.118 176.679 176.600 -0.066 0.000 0.932 132 K CA -0.184 56.037 56.287 -0.111 0.000 0.799 132 K CB 2.344 34.699 32.500 -0.243 0.000 1.154 132 K HN 1.030 nan 8.250 nan 0.000 0.425 133 A N 3.711 126.524 122.820 -0.011 0.000 2.511 133 A HA 0.161 4.481 4.320 -0.000 0.000 0.242 133 A C 0.177 177.773 177.584 0.019 0.000 1.069 133 A CA -0.186 51.866 52.037 0.024 0.000 0.763 133 A CB -0.138 18.905 19.000 0.071 0.000 1.001 133 A HN 0.654 nan 8.150 nan 0.000 0.498 134 L N 2.277 123.531 121.223 0.052 0.000 2.349 134 L HA 0.477 4.817 4.340 -0.000 0.000 0.275 134 L C 0.706 177.706 176.870 0.217 0.000 1.115 134 L CA -0.014 54.894 54.840 0.112 0.000 0.820 134 L CB 1.165 43.274 42.059 0.084 0.000 1.135 134 L HN 0.734 nan 8.230 nan 0.000 0.445 135 S N 1.728 117.538 115.700 0.184 0.000 2.540 135 S HA 0.403 4.873 4.470 -0.000 0.000 0.275 135 S C -0.749 173.787 174.600 -0.107 0.000 1.123 135 S CA -0.879 57.340 58.200 0.031 0.000 0.907 135 S CB 1.850 64.997 63.200 -0.090 0.000 1.081 135 S HN 0.644 nan 8.310 nan 0.000 0.476 136 Q N 1.752 121.220 119.800 -0.554 0.000 2.407 136 Q HA 0.469 4.809 4.340 -0.000 0.000 0.214 136 Q C -0.297 175.567 176.000 -0.227 0.000 1.043 136 Q CA -0.527 54.992 55.803 -0.473 0.000 0.983 136 Q CB -0.267 28.043 28.738 -0.714 0.000 1.211 136 Q HN 0.492 nan 8.270 nan 0.000 0.564 137 T N 0.797 115.265 114.554 -0.143 0.000 2.902 137 T HA 0.328 4.678 4.350 -0.000 0.000 0.301 137 T C 1.038 175.673 174.700 -0.108 0.000 1.012 137 T CA 0.827 62.870 62.100 -0.095 0.000 1.151 137 T CB 0.086 68.923 68.868 -0.053 0.000 0.946 137 T HN 0.974 nan 8.240 nan 0.000 0.542 138 G N 2.400 111.141 108.800 -0.099 0.000 2.155 138 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.257 138 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.257 138 G C 0.511 175.347 174.900 -0.107 0.000 0.983 138 G CA -0.002 45.045 45.100 -0.088 0.000 0.676 138 G HN 1.126 nan 8.290 nan 0.000 0.528 139 G N -1.819 106.889 108.800 -0.152 0.000 2.525 139 G HA2 0.458 4.418 3.960 -0.000 0.000 0.287 139 G HA3 0.458 4.418 3.960 -0.000 0.000 0.287 139 G C 0.584 175.395 174.900 -0.148 0.000 1.350 139 G CA 0.466 45.477 45.100 -0.148 0.000 1.039 139 G HN 0.512 nan 8.290 nan 0.000 0.513 140 H N -0.902 118.042 119.070 -0.211 0.000 2.491 140 H HA 0.002 4.558 4.556 -0.000 0.000 0.290 140 H C 2.357 177.438 175.328 -0.412 0.000 1.050 140 H CA 1.828 57.731 56.048 -0.242 0.000 1.309 140 H CB -0.123 29.489 29.762 -0.251 0.000 1.392 140 H HN 0.421 nan 8.280 nan 0.000 0.554 141 G N -1.041 107.488 108.800 -0.451 0.000 2.777 141 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.211 141 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.211 141 G C 0.045 174.414 174.900 -0.884 0.000 1.149 141 G CA 0.146 44.871 45.100 -0.624 0.000 0.785 141 G HN 0.322 nan 8.290 nan 0.000 0.536 142 D N 0.028 120.034 120.400 -0.657 0.000 2.347 142 D HA 0.281 4.921 4.640 -0.000 0.000 0.235 142 D C -0.262 175.752 176.300 -0.475 0.000 1.149 142 D CA -0.857 52.880 54.000 -0.439 0.000 0.850 142 D CB 0.571 41.238 40.800 -0.221 0.000 1.061 142 D HN 0.026 nan 8.370 nan 0.000 0.487 143 F N 2.148 122.075 119.950 -0.039 0.000 2.639 143 F HA 0.267 4.794 4.527 -0.000 0.000 0.300 143 F C 1.220 177.010 175.800 -0.018 0.000 1.109 143 F CA -0.417 57.562 58.000 -0.036 0.000 1.335 143 F CB 0.011 38.984 39.000 -0.044 0.000 1.014 143 F HN -0.004 nan 8.300 nan 0.000 0.537 144 R N 2.408 122.961 120.500 0.087 0.000 2.438 144 R HA 0.200 4.540 4.340 -0.000 0.000 0.287 144 R C -2.168 174.163 176.300 0.052 0.000 1.077 144 R CA -1.519 54.620 56.100 0.064 0.000 1.034 144 R CB 0.017 30.336 30.300 0.031 0.000 0.993 144 R HN -0.045 nan 8.270 nan 0.000 0.459 145 P HA 0.019 nan 4.420 nan 0.000 0.272 145 P C -0.836 176.479 177.300 0.025 0.000 1.230 145 P CA -0.401 62.723 63.100 0.040 0.000 0.788 145 P CB 0.597 32.319 31.700 0.035 0.000 0.949 146 R N 1.258 121.771 120.500 0.021 0.000 2.540 146 R HA 0.234 4.574 4.340 -0.000 0.000 0.317 146 R C 0.798 177.105 176.300 0.012 0.000 1.233 146 R CA 0.066 56.175 56.100 0.014 0.000 1.003 146 R CB -1.002 29.306 30.300 0.013 0.000 1.034 146 R HN 0.634 nan 8.270 nan 0.000 0.483 151 E N 1.686 121.890 120.200 0.007 0.000 2.257 151 E HA -0.107 4.243 4.350 -0.000 0.000 0.217 151 E C -2.335 174.269 176.600 0.007 0.000 1.248 151 E CA 0.513 56.917 56.400 0.006 0.000 0.691 151 E CB -1.087 28.614 29.700 0.003 0.000 1.185 151 E HN 0.451 nan 8.360 nan 0.000 0.377 152 P HA 0.623 nan 4.420 nan 0.000 0.317 152 P C -0.450 176.857 177.300 0.011 0.000 1.301 152 P CA -0.529 62.577 63.100 0.009 0.000 0.799 152 P CB 1.033 32.739 31.700 0.009 0.000 1.344 153 C N -0.068 119.237 119.300 0.008 0.000 1.217 153 C HA 0.182 4.642 4.460 -0.000 0.000 0.190 153 C C -0.168 174.831 174.990 0.016 0.000 0.580 153 C CA 0.970 59.994 59.018 0.010 0.000 3.041 153 C CB -2.603 25.145 27.740 0.014 0.000 2.244 153 C HN 1.026 nan 8.230 nan 0.000 0.545 154 S N 2.290 117.994 115.700 0.007 0.000 2.658 154 S HA 0.490 4.960 4.470 -0.000 0.000 0.312 154 S C -0.112 174.468 174.600 -0.035 0.000 1.006 154 S CA -0.388 57.815 58.200 0.006 0.000 0.855 154 S CB -0.054 63.172 63.200 0.043 0.000 1.053 154 S HN 1.341 nan 8.310 nan 0.000 0.455 155 C N 0.721 119.984 119.300 -0.062 0.000 2.587 155 C HA 0.546 5.006 4.460 -0.000 0.000 0.287 155 C C 1.317 176.167 174.990 -0.232 0.000 1.374 155 C CA 0.355 59.306 59.018 -0.112 0.000 1.770 155 C CB -1.266 26.427 27.740 -0.079 0.000 2.137 155 C HN 0.958 nan 8.230 nan 0.000 0.550 156 C N -0.539 118.632 119.300 -0.215 0.000 2.822 156 C HA 0.657 5.117 4.460 -0.000 0.000 0.341 156 C C -0.650 174.199 174.990 -0.235 0.000 1.301 156 C CA -0.658 58.170 59.018 -0.316 0.000 1.706 156 C CB 0.403 28.059 27.740 -0.140 0.000 2.178 156 C HN 0.505 nan 8.230 nan 0.000 0.481 157 F N 2.325 122.287 119.950 0.020 0.000 2.390 157 F HA 0.343 4.870 4.527 0.000 0.000 0.361 157 F C 1.035 176.850 175.800 0.025 0.000 1.124 157 F CA -0.604 57.411 58.000 0.025 0.000 1.149 157 F CB 0.578 39.594 39.000 0.027 0.000 1.160 157 F HN 0.327 nan 8.300 nan 0.000 0.501 158 R N 1.427 122.064 120.500 0.228 0.000 2.489 158 R HA 0.056 4.395 4.340 -0.000 0.000 0.287 158 R C 1.136 177.507 176.300 0.118 0.000 1.053 158 R CA 0.107 56.286 56.100 0.132 0.000 1.036 158 R CB 0.165 30.526 30.300 0.102 0.000 0.966 158 R HN 0.701 nan 8.270 nan 0.000 0.432 159 T N -1.213 113.392 114.554 0.085 0.000 3.113 159 T HA -0.040 4.309 4.350 -0.000 0.000 0.263 159 T C 1.521 176.248 174.700 0.046 0.000 1.143 159 T CA 0.891 63.030 62.100 0.066 0.000 1.090 159 T CB 0.131 69.031 68.868 0.052 0.000 0.922 159 T HN 0.684 nan 8.240 nan 0.000 0.521 160 G N 0.442 109.267 108.800 0.041 0.000 3.233 160 G HA2 0.535 4.495 3.960 -0.000 0.000 0.234 160 G HA3 0.535 4.495 3.960 -0.000 0.000 0.234 160 G C 0.436 175.351 174.900 0.025 0.000 1.137 160 G CA -0.072 45.041 45.100 0.023 0.000 0.763 160 G HN 0.753 nan 8.290 nan 0.000 0.549 161 A N 0.857 123.708 122.820 0.051 0.000 2.362 161 A HA 0.555 4.874 4.320 -0.000 0.000 0.276 161 A C 1.269 178.895 177.584 0.069 0.000 1.153 161 A CA -0.484 51.597 52.037 0.073 0.000 0.813 161 A CB 0.480 19.544 19.000 0.108 0.000 1.081 161 A HN 0.054 nan 8.150 nan 0.000 0.507 162 I N 1.382 122.013 120.570 0.102 0.000 2.252 162 I HA -0.067 4.103 4.170 -0.000 0.000 0.245 162 I C 1.520 177.690 176.117 0.089 0.000 1.102 162 I CA 1.820 63.189 61.300 0.115 0.000 1.385 162 I CB -1.459 36.604 38.000 0.105 0.000 1.064 162 I HN 0.670 nan 8.210 nan 0.000 0.414 163 A N 1.050 123.923 122.820 0.089 0.000 2.437 163 A HA 0.779 5.099 4.320 -0.000 0.000 0.292 163 A C -0.064 177.511 177.584 -0.015 0.000 1.173 163 A CA -0.660 51.385 52.037 0.013 0.000 0.785 163 A CB 1.531 20.510 19.000 -0.035 0.000 1.351 163 A HN 0.281 nan 8.150 nan 0.000 0.431 164 R N -0.358 120.118 120.500 -0.040 0.000 2.750 164 R HA 0.720 5.060 4.340 -0.000 0.000 0.281 164 R C -1.731 174.590 176.300 0.036 0.000 0.972 164 R CA -0.723 55.383 56.100 0.009 0.000 0.912 164 R CB 1.465 31.732 30.300 -0.054 0.000 1.187 164 R HN 0.281 nan 8.270 nan 0.000 0.464 165 V N 2.623 122.574 119.914 0.062 0.000 2.406 165 V HA 0.387 4.507 4.120 -0.000 0.000 0.272 165 V C 0.017 176.163 176.094 0.086 0.000 1.043 165 V CA -0.464 61.862 62.300 0.043 0.000 0.915 165 V CB 0.973 32.803 31.823 0.011 0.000 0.988 165 V HN 0.642 nan 8.190 nan 0.000 0.466 166 V N 1.597 121.579 119.914 0.113 0.000 2.888 166 V HA 0.778 4.898 4.120 -0.000 0.000 0.309 166 V C -1.248 174.959 176.094 0.189 0.000 1.114 166 V CA -0.903 61.477 62.300 0.134 0.000 0.940 166 V CB 2.187 34.090 31.823 0.132 0.000 1.021 166 V HN 0.756 nan 8.190 nan 0.000 0.426 167 D N 1.330 121.817 120.400 0.144 0.000 2.527 167 D HA 0.849 5.489 4.640 -0.000 0.000 0.233 167 D C 0.165 176.543 176.300 0.130 0.000 1.063 167 D CA 0.570 54.669 54.000 0.165 0.000 0.880 167 D CB 1.856 42.704 40.800 0.079 0.000 1.457 167 D HN 1.502 nan 8.370 nan 0.000 0.475 168 G N -0.889 107.995 108.800 0.139 0.000 2.675 168 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.686 168 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.686 168 G C 0.515 175.448 174.900 0.054 0.000 1.215 168 G CA -0.497 44.652 45.100 0.082 0.000 0.777 168 G HN 0.417 nan 8.290 nan 0.000 0.638 169 V N 1.128 121.062 119.914 0.033 0.000 2.307 169 V HA -0.108 4.012 4.120 -0.000 0.000 0.245 169 V C 2.655 178.750 176.094 0.002 0.000 1.045 169 V CA 2.699 65.004 62.300 0.008 0.000 1.024 169 V CB -0.395 31.433 31.823 0.008 0.000 0.651 169 V HN 0.767 nan 8.190 nan 0.000 0.449 170 E N 0.517 120.723 120.200 0.011 0.000 2.152 170 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 170 E C 2.329 178.937 176.600 0.012 0.000 0.983 170 E CA 1.272 57.677 56.400 0.008 0.000 0.818 170 E CB -0.648 29.058 29.700 0.011 0.000 0.758 170 E HN 0.606 nan 8.360 nan 0.000 0.467 171 G N 1.784 110.598 108.800 0.024 0.000 2.421 171 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 171 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 171 G C 1.846 176.763 174.900 0.028 0.000 1.171 171 G CA 1.737 46.859 45.100 0.036 0.000 0.775 171 G HN 0.305 nan 8.290 nan 0.000 0.543 172 V N -1.416 118.504 119.914 0.009 0.000 2.515 172 V HA 0.031 4.151 4.120 -0.000 0.000 0.250 172 V C 2.498 178.568 176.094 -0.039 0.000 1.058 172 V CA 1.965 64.244 62.300 -0.034 0.000 1.064 172 V CB -0.582 31.162 31.823 -0.132 0.000 0.675 172 V HN 0.278 nan 8.190 nan 0.000 0.461 173 R N -0.362 120.121 120.500 -0.028 0.000 2.062 173 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 173 R C 2.361 178.652 176.300 -0.015 0.000 1.136 173 R CA 1.964 58.048 56.100 -0.026 0.000 0.948 173 R CB -0.557 29.733 30.300 -0.017 0.000 0.845 173 R HN 0.535 nan 8.270 nan 0.000 0.430 174 L N 0.869 122.090 121.223 -0.002 0.000 1.990 174 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 174 L C 2.271 179.148 176.870 0.012 0.000 1.072 174 L CA 2.294 57.138 54.840 0.007 0.000 0.755 174 L CB -0.817 41.252 42.059 0.017 0.000 0.889 174 L HN 0.218 nan 8.230 nan 0.000 0.432 175 A N -1.313 121.518 122.820 0.018 0.000 1.908 175 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 175 A C 2.282 179.861 177.584 -0.010 0.000 1.181 175 A CA 2.140 54.190 52.037 0.020 0.000 0.627 175 A CB -1.166 17.852 19.000 0.029 0.000 0.818 175 A HN 0.346 nan 8.150 nan 0.000 0.445 176 V N 0.050 119.947 119.914 -0.027 0.000 2.261 176 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 176 V C 2.635 178.708 176.094 -0.034 0.000 1.047 176 V CA 2.334 64.609 62.300 -0.041 0.000 1.015 176 V CB -0.854 30.938 31.823 -0.052 0.000 0.642 176 V HN 0.561 nan 8.190 nan 0.000 0.446 177 R N -0.110 120.375 120.500 -0.025 0.000 2.103 177 R HA -0.229 4.111 4.340 -0.000 0.000 0.242 177 R C 2.284 178.572 176.300 -0.020 0.000 1.142 177 R CA 1.953 58.039 56.100 -0.022 0.000 0.960 177 R CB -0.414 29.876 30.300 -0.016 0.000 0.858 177 R HN 0.627 nan 8.270 nan 0.000 0.439 178 E N 0.225 120.421 120.200 -0.006 0.000 2.085 178 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 178 E C 2.004 178.596 176.600 -0.012 0.000 0.994 178 E CA 0.996 57.400 56.400 0.006 0.000 0.801 178 E CB 0.074 29.802 29.700 0.047 0.000 0.743 178 E HN 0.246 nan 8.360 nan 0.000 0.453 179 E N 0.384 120.568 120.200 -0.026 0.000 2.107 179 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 179 E C 2.105 178.679 176.600 -0.044 0.000 0.982 179 E CA 0.648 57.022 56.400 -0.044 0.000 0.809 179 E CB -0.090 29.575 29.700 -0.059 0.000 0.756 179 E HN 0.296 nan 8.360 nan 0.000 0.459 180 I N 1.104 121.647 120.570 -0.046 0.000 2.252 180 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 180 I C 2.691 178.770 176.117 -0.063 0.000 1.102 180 I CA 0.903 62.174 61.300 -0.048 0.000 1.385 180 I CB -0.119 37.855 38.000 -0.043 0.000 1.064 180 I HN 0.059 nan 8.210 nan 0.000 0.414 181 Q N 1.407 121.168 119.800 -0.065 0.000 2.061 181 Q HA -0.262 4.078 4.340 -0.000 0.000 0.204 181 Q C 2.035 177.948 176.000 -0.144 0.000 0.984 181 Q CA 1.759 57.506 55.803 -0.093 0.000 0.846 181 Q CB -0.075 28.621 28.738 -0.070 0.000 0.902 181 Q HN 0.472 nan 8.270 nan 0.000 0.421 182 K N -1.319 119.016 120.400 -0.107 0.000 2.442 182 K HA -0.057 4.263 4.320 -0.000 0.000 0.198 182 K C 0.942 177.448 176.600 -0.157 0.000 1.042 182 K CA 0.676 56.888 56.287 -0.126 0.000 0.958 182 K CB 0.079 32.557 32.500 -0.036 0.000 0.766 182 K HN 0.466 nan 8.250 nan 0.000 0.474 183 G N 0.516 109.248 108.800 -0.113 0.000 2.141 183 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.164 183 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.164 183 G C 0.075 175.031 174.900 0.094 0.000 1.009 183 G CA -0.233 44.837 45.100 -0.049 0.000 0.677 183 G HN 0.405 nan 8.290 nan 0.000 0.508 184 A N 0.217 123.059 122.820 0.036 0.000 2.531 184 A HA 0.576 4.896 4.320 -0.000 0.000 0.236 184 A C 1.705 179.306 177.584 0.028 0.000 1.062 184 A CA 1.673 53.725 52.037 0.025 0.000 0.760 184 A CB 0.237 19.221 19.000 -0.027 0.000 0.995 184 A HN 1.488 nan 8.150 nan 0.000 0.501 185 T N -0.920 113.659 114.554 0.042 0.000 3.031 185 T HA 0.171 4.521 4.350 -0.000 0.000 0.254 185 T C 0.658 175.300 174.700 -0.095 0.000 1.060 185 T CA 0.897 63.029 62.100 0.053 0.000 1.135 185 T CB -0.064 68.933 68.868 0.215 0.000 0.896 185 T HN 0.913 nan 8.240 nan 0.000 0.472 186 Q N 0.291 119.978 119.800 -0.188 0.000 2.615 186 Q HA 0.526 4.866 4.340 -0.000 0.000 0.298 186 Q C -1.773 174.062 176.000 -0.276 0.000 1.023 186 Q CA -1.182 54.362 55.803 -0.432 0.000 0.768 186 Q CB 1.271 29.450 28.738 -0.931 0.000 1.500 186 Q HN 0.181 nan 8.270 nan 0.000 0.441 187 I N 1.253 121.646 120.570 -0.294 0.000 2.378 187 I HA 0.423 4.592 4.170 -0.000 0.000 0.291 187 I C -0.233 175.816 176.117 -0.113 0.000 0.992 187 I CA -0.574 60.631 61.300 -0.159 0.000 1.154 187 I CB 1.425 39.349 38.000 -0.126 0.000 1.315 187 I HN 0.718 nan 8.210 nan 0.000 0.448 188 K N 7.849 128.213 120.400 -0.060 0.000 2.206 188 K HA 0.775 5.095 4.320 -0.000 0.000 0.264 188 K C -0.921 175.702 176.600 0.038 0.000 0.967 188 K CA -0.469 55.818 56.287 -0.000 0.000 0.844 188 K CB 1.624 34.125 32.500 0.003 0.000 1.099 188 K HN 0.658 nan 8.250 nan 0.000 0.441 189 I N -0.056 120.566 120.570 0.087 0.000 2.934 189 I HA 0.505 4.675 4.170 -0.000 0.000 0.306 189 I C -0.983 175.262 176.117 0.213 0.000 1.110 189 I CA -1.183 60.203 61.300 0.142 0.000 1.019 189 I CB 2.150 40.205 38.000 0.090 0.000 1.227 189 I HN 0.397 nan 8.210 nan 0.000 0.434 190 M N 4.080 123.831 119.600 0.251 0.000 2.063 190 M HA 0.416 4.896 4.480 -0.000 0.000 0.348 190 M C 0.288 176.751 176.300 0.271 0.000 1.180 190 M CA -0.358 55.081 55.300 0.231 0.000 1.059 190 M CB 0.725 33.395 32.600 0.117 0.000 1.544 190 M HN 0.885 nan 8.290 nan 0.000 0.447 191 A N 2.206 125.184 122.820 0.263 0.000 2.500 191 A HA 0.467 4.787 4.320 -0.000 0.000 0.267 191 A C 0.568 178.246 177.584 0.157 0.000 1.290 191 A CA -0.075 52.090 52.037 0.213 0.000 0.928 191 A CB 0.325 19.424 19.000 0.166 0.000 1.066 191 A HN 0.738 nan 8.150 nan 0.000 0.516 192 S N -1.912 113.898 115.700 0.182 0.000 2.567 192 S HA 0.545 5.015 4.470 -0.000 0.000 0.270 192 S C 0.253 174.951 174.600 0.162 0.000 1.152 192 S CA 0.042 58.332 58.200 0.151 0.000 0.835 192 S CB 0.520 63.786 63.200 0.111 0.000 1.115 192 S HN 1.039 nan 8.310 nan 0.000 0.459 193 G N 0.647 109.524 108.800 0.129 0.000 2.690 193 G HA2 0.496 4.456 3.960 -0.000 0.000 0.239 193 G HA3 0.496 4.456 3.960 -0.000 0.000 0.239 193 G C 0.538 175.541 174.900 0.171 0.000 1.233 193 G CA 0.330 45.503 45.100 0.120 0.000 0.847 193 G HN 1.135 nan 8.290 nan 0.000 0.588 194 G N -2.034 106.812 108.800 0.077 0.000 3.107 194 G HA2 0.456 4.416 3.960 -0.000 0.000 0.233 194 G HA3 0.456 4.416 3.960 -0.000 0.000 0.233 194 G C 0.157 175.160 174.900 0.170 0.000 1.168 194 G CA 0.468 45.577 45.100 0.014 0.000 0.801 194 G HN 0.757 nan 8.290 nan 0.000 0.605 195 V N 0.072 120.168 119.914 0.304 0.000 3.090 195 V HA 0.311 4.431 4.120 -0.000 0.000 0.237 195 V C 2.443 178.698 176.094 0.269 0.000 1.209 195 V CA 1.392 63.831 62.300 0.232 0.000 1.209 195 V CB 0.568 32.521 31.823 0.216 0.000 0.971 195 V HN 0.791 nan 8.190 nan 0.000 0.477 196 A N 0.806 123.860 122.820 0.390 0.000 2.307 196 A HA 0.334 4.654 4.320 -0.000 0.000 0.218 196 A C 1.045 178.789 177.584 0.266 0.000 1.228 196 A CA 0.547 52.730 52.037 0.244 0.000 0.857 196 A CB -0.281 18.823 19.000 0.172 0.000 0.897 196 A HN 0.555 nan 8.150 nan 0.000 0.495 197 S N -0.629 115.230 115.700 0.266 0.000 2.549 197 S HA 0.551 5.021 4.470 -0.000 0.000 0.297 197 S C -1.868 172.828 174.600 0.160 0.000 1.115 197 S CA -1.337 56.983 58.200 0.200 0.000 1.059 197 S CB 1.808 65.004 63.200 -0.007 0.000 1.046 197 S HN 0.090 nan 8.310 nan 0.000 0.506 198 P HA -0.067 nan 4.420 nan 0.000 0.215 198 P C 1.327 178.663 177.300 0.060 0.000 1.157 198 P CA 1.701 64.858 63.100 0.094 0.000 0.859 198 P CB -0.354 31.400 31.700 0.091 0.000 0.786 199 T N -3.857 110.721 114.554 0.039 0.000 3.014 199 T HA 0.040 4.390 4.350 -0.000 0.000 0.250 199 T C 0.487 175.201 174.700 0.022 0.000 1.060 199 T CA -0.266 61.848 62.100 0.022 0.000 1.040 199 T CB -0.554 68.316 68.868 0.004 0.000 0.971 199 T HN 0.116 nan 8.240 nan 0.000 0.497 200 D N 3.300 123.722 120.400 0.037 0.000 2.373 200 D HA 0.304 4.944 4.640 -0.000 0.000 0.227 200 D C -2.837 173.493 176.300 0.050 0.000 1.091 200 D CA -2.076 51.948 54.000 0.040 0.000 0.840 200 D CB 1.646 42.475 40.800 0.047 0.000 1.060 200 D HN 0.176 nan 8.370 nan 0.000 0.502 201 P HA 0.018 nan 4.420 nan 0.000 0.268 201 P C 1.303 178.617 177.300 0.023 0.000 1.205 201 P CA -0.489 62.622 63.100 0.017 0.000 0.771 201 P CB 1.545 33.248 31.700 0.005 0.000 0.858 202 I N 1.564 122.134 120.570 0.001 0.000 2.454 202 I HA -0.229 3.941 4.170 -0.000 0.000 0.254 202 I C 1.690 177.825 176.117 0.029 0.000 1.156 202 I CA 1.569 62.875 61.300 0.009 0.000 1.433 202 I CB -0.273 37.638 38.000 -0.147 0.000 1.082 202 I HN 0.297 nan 8.210 nan 0.000 0.432 203 A N 1.950 124.771 122.820 0.002 0.000 2.019 203 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 203 A C 1.096 178.695 177.584 0.025 0.000 1.164 203 A CA 1.276 53.318 52.037 0.007 0.000 0.644 203 A CB -0.804 18.191 19.000 -0.009 0.000 0.805 203 A HN 0.798 nan 8.150 nan 0.000 0.449 204 N N -0.210 118.509 118.700 0.031 0.000 2.459 204 N HA 0.339 5.079 4.740 -0.000 0.000 0.288 204 N C -0.340 175.196 175.510 0.043 0.000 1.186 204 N CA 0.246 53.315 53.050 0.031 0.000 0.917 204 N CB 0.987 39.485 38.487 0.018 0.000 1.219 204 N HN 0.157 nan 8.380 nan 0.000 0.525 205 T N -2.278 112.298 114.554 0.037 0.000 2.927 205 T HA 0.372 4.722 4.350 -0.000 0.000 0.281 205 T C -0.273 174.449 174.700 0.036 0.000 0.998 205 T CA -0.653 61.476 62.100 0.048 0.000 1.019 205 T CB 1.463 70.359 68.868 0.047 0.000 1.061 205 T HN 0.590 nan 8.240 nan 0.000 0.518 206 Q N 0.291 120.122 119.800 0.051 0.000 2.331 206 Q HA 0.499 4.839 4.340 -0.000 0.000 0.272 206 Q C -1.749 174.300 176.000 0.083 0.000 1.062 206 Q CA -0.852 54.946 55.803 -0.008 0.000 0.806 206 Q CB 2.311 31.016 28.738 -0.055 0.000 1.312 206 Q HN 0.848 nan 8.270 nan 0.000 0.431 207 Y N -0.660 119.656 120.300 0.027 0.000 2.545 207 Y HA -0.282 4.268 4.550 -0.000 0.000 0.022 207 Y C 0.138 176.049 175.900 0.019 0.000 1.744 207 Y CA 0.095 58.208 58.100 0.022 0.000 1.392 207 Y CB -0.352 38.123 38.460 0.024 0.000 2.040 207 Y HN 0.746 nan 8.280 nan 0.000 0.260 208 S N 1.977 117.813 115.700 0.227 0.000 2.593 208 S HA 0.172 4.642 4.470 -0.000 0.000 0.269 208 S C 0.835 175.492 174.600 0.094 0.000 1.334 208 S CA -0.087 58.187 58.200 0.123 0.000 1.015 208 S CB 1.519 64.776 63.200 0.094 0.000 0.912 208 S HN 0.692 nan 8.310 nan 0.000 0.541 209 E N 0.806 121.041 120.200 0.059 0.000 2.153 209 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 209 E C 1.084 177.695 176.600 0.019 0.000 0.988 209 E CA 1.330 57.751 56.400 0.035 0.000 0.811 209 E CB -0.201 29.515 29.700 0.027 0.000 0.746 209 E HN 0.667 nan 8.360 nan 0.000 0.466 210 D N 1.009 121.422 120.400 0.023 0.000 2.104 210 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 210 D C 1.790 178.085 176.300 -0.009 0.000 0.994 210 D CA 1.085 55.091 54.000 0.011 0.000 0.830 210 D CB -0.148 40.663 40.800 0.019 0.000 0.959 210 D HN 0.255 nan 8.370 nan 0.000 0.452 211 E N 0.289 120.487 120.200 -0.003 0.000 2.017 211 E HA -0.126 4.223 4.350 -0.000 0.000 0.193 211 E C 2.419 178.924 176.600 -0.159 0.000 0.997 211 E CA 0.622 56.978 56.400 -0.074 0.000 0.804 211 E CB -0.097 29.585 29.700 -0.030 0.000 0.757 211 E HN 0.271 nan 8.360 nan 0.000 0.448 212 I N 0.644 121.137 120.570 -0.129 0.000 2.151 212 I HA -0.328 3.841 4.170 -0.000 0.000 0.243 212 I C 2.729 178.798 176.117 -0.079 0.000 1.080 212 I CA 1.261 62.487 61.300 -0.123 0.000 1.339 212 I CB -0.340 37.638 38.000 -0.037 0.000 1.039 212 I HN 0.072 nan 8.210 nan 0.000 0.409 213 R N 0.787 121.259 120.500 -0.045 0.000 2.092 213 R HA -0.123 4.217 4.340 -0.000 0.000 0.231 213 R C 2.434 178.714 176.300 -0.034 0.000 1.119 213 R CA 1.310 57.394 56.100 -0.028 0.000 0.970 213 R CB -0.184 30.109 30.300 -0.011 0.000 0.864 213 R HN 0.378 nan 8.270 nan 0.000 0.440 214 A N 1.072 123.864 122.820 -0.045 0.000 1.908 214 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 214 A C 2.081 179.630 177.584 -0.059 0.000 1.181 214 A CA 1.361 53.370 52.037 -0.045 0.000 0.627 214 A CB -0.500 18.473 19.000 -0.045 0.000 0.818 214 A HN 0.301 nan 8.150 nan 0.000 0.445 215 I N -0.595 119.919 120.570 -0.093 0.000 2.163 215 I HA -0.242 3.928 4.170 -0.000 0.000 0.243 215 I C 2.370 178.448 176.117 -0.065 0.000 1.085 215 I CA 1.259 62.498 61.300 -0.102 0.000 1.347 215 I CB -0.352 37.551 38.000 -0.162 0.000 1.044 215 I HN 0.167 nan 8.210 nan 0.000 0.408 216 V N 0.779 120.664 119.914 -0.047 0.000 2.295 216 V HA -0.293 3.826 4.120 -0.000 0.000 0.246 216 V C 2.103 178.191 176.094 -0.010 0.000 1.049 216 V CA 2.067 64.357 62.300 -0.017 0.000 1.024 216 V CB -0.666 31.155 31.823 -0.003 0.000 0.648 216 V HN 0.400 nan 8.190 nan 0.000 0.447 217 D N -0.200 120.191 120.400 -0.013 0.000 2.092 217 D HA -0.163 4.477 4.640 -0.000 0.000 0.193 217 D C 2.257 178.550 176.300 -0.012 0.000 0.994 217 D CA 1.243 55.238 54.000 -0.007 0.000 0.828 217 D CB -0.296 40.499 40.800 -0.009 0.000 0.963 217 D HN 0.396 nan 8.370 nan 0.000 0.450 218 E N 0.614 120.800 120.200 -0.023 0.000 2.110 218 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 218 E C 2.102 178.686 176.600 -0.028 0.000 0.988 218 E CA 0.857 57.242 56.400 -0.025 0.000 0.804 218 E CB -0.331 29.349 29.700 -0.033 0.000 0.745 218 E HN 0.246 nan 8.360 nan 0.000 0.458 219 A N 1.352 124.152 122.820 -0.034 0.000 1.902 219 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 219 A C 2.076 179.652 177.584 -0.014 0.000 1.181 219 A CA 1.575 53.588 52.037 -0.040 0.000 0.623 219 A CB -0.419 18.547 19.000 -0.057 0.000 0.818 219 A HN 0.205 nan 8.150 nan 0.000 0.443 220 E N -0.480 119.723 120.200 0.004 0.000 2.107 220 E HA -0.045 4.305 4.350 -0.000 0.000 0.191 220 E C 2.281 178.889 176.600 0.013 0.000 0.982 220 E CA 0.725 57.138 56.400 0.021 0.000 0.809 220 E CB -0.255 29.461 29.700 0.027 0.000 0.756 220 E HN 0.604 nan 8.360 nan 0.000 0.459 221 A N 1.181 124.003 122.820 0.004 0.000 2.032 221 A HA -0.126 4.194 4.320 -0.000 0.000 0.221 221 A C 2.102 179.686 177.584 -0.000 0.000 1.165 221 A CA 1.640 53.678 52.037 0.001 0.000 0.645 221 A CB -0.325 18.673 19.000 -0.004 0.000 0.807 221 A HN 0.249 nan 8.150 nan 0.000 0.453 222 A N -0.715 122.102 122.820 -0.004 0.000 2.462 222 A HA 0.326 4.646 4.320 -0.000 0.000 0.261 222 A C 0.483 178.070 177.584 0.005 0.000 1.323 222 A CA 0.013 52.047 52.037 -0.006 0.000 0.913 222 A CB -0.460 18.529 19.000 -0.019 0.000 1.028 222 A HN 0.468 nan 8.150 nan 0.000 0.511 223 N N 0.269 118.979 118.700 0.015 0.000 2.714 223 N HA -0.145 4.595 4.740 -0.000 0.000 0.252 223 N C 0.135 175.671 175.510 0.043 0.000 1.014 223 N CA 1.608 54.677 53.050 0.032 0.000 0.735 223 N CB -1.300 37.206 38.487 0.031 0.000 0.924 223 N HN 0.626 nan 8.380 nan 0.000 0.540 224 T N -1.421 113.153 114.554 0.033 0.000 2.565 224 T HA 0.719 5.069 4.350 -0.000 0.000 0.266 224 T C -1.341 173.416 174.700 0.094 0.000 0.905 224 T CA -0.441 61.685 62.100 0.043 0.000 1.122 224 T CB 1.095 69.906 68.868 -0.095 0.000 1.437 224 T HN 0.233 nan 8.240 nan 0.000 0.506 225 Y N -1.458 118.828 120.300 -0.025 0.000 2.669 225 Y HA 0.845 5.395 4.550 -0.000 0.000 0.335 225 Y C -1.403 174.483 175.900 -0.024 0.000 1.116 225 Y CA -1.298 56.789 58.100 -0.022 0.000 1.081 225 Y CB 0.730 39.171 38.460 -0.030 0.000 1.297 225 Y HN 0.308 nan 8.280 nan 0.000 0.484 226 V N 4.049 124.023 119.914 0.099 0.000 2.435 226 V HA 0.395 4.515 4.120 -0.000 0.000 0.290 226 V C 0.089 176.287 176.094 0.174 0.000 1.030 226 V CA -0.809 61.507 62.300 0.027 0.000 0.881 226 V CB 1.267 33.105 31.823 0.025 0.000 0.983 226 V HN 0.835 nan 8.190 nan 0.000 0.445 227 M N 3.803 123.466 119.600 0.105 0.000 2.367 227 M HA 0.949 5.429 4.480 -0.000 0.000 0.339 227 M C -0.476 175.889 176.300 0.109 0.000 1.177 227 M CA -0.440 54.948 55.300 0.147 0.000 1.068 227 M CB 1.859 34.545 32.600 0.143 0.000 1.602 227 M HN 0.562 nan 8.290 nan 0.000 0.457 228 A N 1.305 124.196 122.820 0.119 0.000 2.437 228 A HA 0.492 4.812 4.320 -0.000 0.000 0.293 228 A C -1.687 175.989 177.584 0.153 0.000 1.038 228 A CA -0.650 51.468 52.037 0.134 0.000 0.708 228 A CB 0.785 19.845 19.000 0.100 0.000 1.251 228 A HN 1.036 nan 8.150 nan 0.000 0.409 229 H N 1.873 121.005 119.070 0.103 0.000 2.668 229 H HA 0.700 5.256 4.556 -0.000 0.000 0.303 229 H C -0.196 175.130 175.328 -0.003 0.000 1.074 229 H CA 0.576 56.684 56.048 0.099 0.000 1.406 229 H CB 0.848 30.729 29.762 0.198 0.000 1.442 229 H HN 1.038 nan 8.280 nan 0.000 0.482 230 A N 4.745 127.323 122.820 -0.404 0.000 2.540 230 A HA 0.303 4.623 4.320 -0.000 0.000 0.297 230 A C -1.470 175.867 177.584 -0.412 0.000 1.056 230 A CA -0.715 51.148 52.037 -0.289 0.000 0.700 230 A CB 0.436 19.401 19.000 -0.058 0.000 1.280 230 A HN 0.719 nan 8.150 nan 0.000 0.398 231 Y N 1.030 121.254 120.300 -0.127 0.000 2.351 231 Y HA 0.151 4.701 4.550 -0.000 0.000 0.291 231 Y C 2.145 178.017 175.900 -0.048 0.000 1.153 231 Y CA 1.548 59.586 58.100 -0.103 0.000 1.193 231 Y CB -0.176 38.202 38.460 -0.137 0.000 1.187 231 Y HN 0.757 nan 8.280 nan 0.000 0.524 232 T N -1.656 112.976 114.554 0.130 0.000 2.849 232 T HA 0.327 4.677 4.350 -0.000 0.000 0.284 232 T C 1.627 176.354 174.700 0.046 0.000 1.004 232 T CA -0.097 62.042 62.100 0.066 0.000 1.021 232 T CB 1.389 70.284 68.868 0.044 0.000 1.013 232 T HN 0.374 nan 8.240 nan 0.000 0.527 233 G N 0.162 108.978 108.800 0.027 0.000 2.432 233 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.219 233 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.219 233 G C 1.554 176.469 174.900 0.025 0.000 1.135 233 G CA 0.680 45.795 45.100 0.024 0.000 0.767 233 G HN 0.847 nan 8.290 nan 0.000 0.550 234 R N 0.453 120.967 120.500 0.023 0.000 2.070 234 R HA 0.042 4.382 4.340 -0.000 0.000 0.233 234 R C 2.876 179.193 176.300 0.029 0.000 1.137 234 R CA 1.521 57.635 56.100 0.023 0.000 0.945 234 R CB -0.445 29.868 30.300 0.021 0.000 0.845 234 R HN 0.246 nan 8.270 nan 0.000 0.430 235 A N 0.815 123.657 122.820 0.036 0.000 1.972 235 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 235 A C 2.154 179.759 177.584 0.036 0.000 1.169 235 A CA 1.324 53.387 52.037 0.042 0.000 0.635 235 A CB -0.450 18.581 19.000 0.051 0.000 0.810 235 A HN 0.394 nan 8.150 nan 0.000 0.446 236 I N -0.508 120.082 120.570 0.034 0.000 2.202 236 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 236 I C 3.003 179.132 176.117 0.019 0.000 1.091 236 I CA 0.940 62.259 61.300 0.033 0.000 1.368 236 I CB -0.360 37.673 38.000 0.055 0.000 1.058 236 I HN 0.348 nan 8.210 nan 0.000 0.410 237 A N 1.930 124.761 122.820 0.019 0.000 1.865 237 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 237 A C 2.383 179.956 177.584 -0.019 0.000 1.191 237 A CA 2.305 54.343 52.037 0.003 0.000 0.623 237 A CB -0.831 18.177 19.000 0.014 0.000 0.826 237 A HN 0.513 nan 8.150 nan 0.000 0.444 238 R N -0.428 120.071 120.500 -0.001 0.000 2.096 238 R HA 0.035 4.375 4.340 -0.000 0.000 0.235 238 R C 2.209 178.503 176.300 -0.011 0.000 1.127 238 R CA 1.489 57.588 56.100 -0.002 0.000 0.968 238 R CB -0.802 29.509 30.300 0.018 0.000 0.861 238 R HN 0.336 nan 8.270 nan 0.000 0.440 239 A N 1.625 124.446 122.820 0.001 0.000 1.883 239 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 239 A C 2.459 180.021 177.584 -0.037 0.000 1.186 239 A CA 1.858 53.896 52.037 0.002 0.000 0.624 239 A CB -0.629 18.386 19.000 0.025 0.000 0.822 239 A HN 0.188 nan 8.150 nan 0.000 0.444 240 V N -0.356 119.514 119.914 -0.074 0.000 2.427 240 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 240 V C 2.552 178.456 176.094 -0.317 0.000 1.051 240 V CA 2.060 64.258 62.300 -0.170 0.000 1.048 240 V CB -0.820 30.898 31.823 -0.176 0.000 0.666 240 V HN 0.507 nan 8.190 nan 0.000 0.456 241 R N -0.926 119.428 120.500 -0.242 0.000 2.152 241 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 241 R C 2.110 178.353 176.300 -0.094 0.000 1.117 241 R CA 1.704 57.689 56.100 -0.192 0.000 0.981 241 R CB -0.441 29.815 30.300 -0.072 0.000 0.870 241 R HN 0.478 nan 8.270 nan 0.000 0.451 242 C N -1.120 118.140 119.300 -0.066 0.000 2.594 242 C HA 0.234 4.694 4.460 -0.000 0.000 0.265 242 C C 1.368 176.345 174.990 -0.021 0.000 1.351 242 C CA 0.600 59.601 59.018 -0.028 0.000 1.744 242 C CB -0.104 27.627 27.740 -0.015 0.000 1.890 242 C HN 0.792 nan 8.230 nan 0.000 0.551 243 G N 0.687 109.463 108.800 -0.041 0.000 2.141 243 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.164 243 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.164 243 G C 0.071 174.984 174.900 0.022 0.000 1.009 243 G CA 0.191 45.289 45.100 -0.004 0.000 0.677 243 G HN 0.930 nan 8.290 nan 0.000 0.508 244 V N -1.366 118.557 119.914 0.014 0.000 2.715 244 V HA 0.693 4.813 4.120 -0.000 0.000 0.299 244 V C 1.429 177.570 176.094 0.078 0.000 1.054 244 V CA 0.591 62.925 62.300 0.056 0.000 1.077 244 V CB 1.513 33.367 31.823 0.051 0.000 0.972 244 V HN 0.385 nan 8.190 nan 0.000 0.484 245 R N 2.517 123.096 120.500 0.132 0.000 2.105 245 R HA 0.148 4.488 4.340 -0.000 0.000 0.214 245 R C 0.948 177.335 176.300 0.145 0.000 1.091 245 R CA 1.081 57.256 56.100 0.126 0.000 1.007 245 R CB 0.133 30.471 30.300 0.062 0.000 0.912 245 R HN 1.000 nan 8.270 nan 0.000 0.450 246 T N -1.317 113.309 114.554 0.121 0.000 2.893 246 T HA 0.507 4.857 4.350 -0.000 0.000 0.291 246 T C -0.443 174.303 174.700 0.076 0.000 1.028 246 T CA -0.929 61.231 62.100 0.100 0.000 0.995 246 T CB 1.778 70.663 68.868 0.027 0.000 1.051 246 T HN -0.103 nan 8.240 nan 0.000 0.470 247 I N 2.659 123.248 120.570 0.031 0.000 2.433 247 I HA 0.436 4.606 4.170 -0.000 0.000 0.292 247 I C -0.088 175.992 176.117 -0.063 0.000 1.001 247 I CA -0.788 60.509 61.300 -0.005 0.000 1.119 247 I CB 1.968 39.959 38.000 -0.015 0.000 1.289 247 I HN 0.756 nan 8.210 nan 0.000 0.438 248 E N 6.158 126.301 120.200 -0.095 0.000 2.231 248 E HA 0.350 4.700 4.350 -0.000 0.000 0.277 248 E C 0.405 176.747 176.600 -0.430 0.000 0.999 248 E CA -0.331 55.887 56.400 -0.303 0.000 0.827 248 E CB 1.126 30.667 29.700 -0.265 0.000 1.101 248 E HN 0.542 nan 8.360 nan 0.000 0.393 249 H N 1.928 120.887 119.070 -0.186 0.000 1.919 249 H HA -0.296 4.260 4.556 -0.000 0.000 0.090 249 H C 1.049 176.360 175.328 -0.028 0.000 0.609 249 H CA 1.486 57.462 56.048 -0.120 0.000 1.845 249 H CB -1.418 28.156 29.762 -0.312 0.000 2.174 249 H HN 0.862 nan 8.280 nan 0.000 0.951 250 G N 1.642 110.483 108.800 0.070 0.000 2.176 250 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.252 250 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.252 250 G C 0.625 175.671 174.900 0.244 0.000 1.024 250 G CA 1.075 46.270 45.100 0.159 0.000 0.755 250 G HN 0.619 nan 8.290 nan 0.000 0.507 251 N N -0.314 118.537 118.700 0.252 0.000 2.364 251 N HA 0.028 4.768 4.740 -0.000 0.000 0.183 251 N C 1.523 177.054 175.510 0.035 0.000 1.022 251 N CA 1.084 54.213 53.050 0.131 0.000 0.883 251 N CB -0.054 38.450 38.487 0.029 0.000 0.965 251 N HN 0.581 nan 8.380 nan 0.000 0.438 252 L N 0.740 122.003 121.223 0.067 0.000 3.141 252 L HA 0.319 4.658 4.340 -0.000 0.000 0.263 252 L C -0.438 176.426 176.870 -0.011 0.000 1.312 252 L CA -0.507 54.331 54.840 -0.002 0.000 1.012 252 L CB 0.123 42.178 42.059 -0.007 0.000 1.408 252 L HN -0.117 nan 8.230 nan 0.000 0.559 253 V N -2.034 117.852 119.914 -0.046 0.000 2.963 253 V HA 0.172 4.292 4.120 -0.000 0.000 0.306 253 V C 0.099 176.134 176.094 -0.099 0.000 1.077 253 V CA -0.718 61.536 62.300 -0.076 0.000 1.124 253 V CB 0.465 32.163 31.823 -0.209 0.000 0.987 253 V HN 0.410 nan 8.190 nan 0.000 0.487 254 D N 1.454 121.815 120.400 -0.065 0.000 2.384 254 D HA 0.298 4.938 4.640 -0.000 0.000 0.250 254 D C 0.898 177.158 176.300 -0.067 0.000 1.029 254 D CA -0.604 53.357 54.000 -0.066 0.000 0.990 254 D CB 0.718 41.497 40.800 -0.036 0.000 1.175 254 D HN 0.650 nan 8.370 nan 0.000 0.532 255 E N 0.225 120.388 120.200 -0.061 0.000 2.409 255 E HA -0.177 4.173 4.350 -0.000 0.000 0.198 255 E C 1.512 178.106 176.600 -0.011 0.000 1.024 255 E CA 0.765 57.137 56.400 -0.047 0.000 0.861 255 E CB -0.376 29.296 29.700 -0.046 0.000 0.788 255 E HN 0.487 nan 8.360 nan 0.000 0.521 256 A N 2.070 124.887 122.820 -0.005 0.000 1.877 256 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 256 A C 2.531 180.134 177.584 0.032 0.000 1.186 256 A CA 2.106 54.151 52.037 0.014 0.000 0.620 256 A CB -0.734 18.271 19.000 0.010 0.000 0.822 256 A HN 0.399 nan 8.150 nan 0.000 0.443 257 A N -0.288 122.550 122.820 0.029 0.000 1.898 257 A HA 0.238 4.558 4.320 -0.000 0.000 0.216 257 A C 2.507 180.143 177.584 0.087 0.000 1.181 257 A CA 1.909 53.977 52.037 0.052 0.000 0.620 257 A CB -1.036 17.993 19.000 0.048 0.000 0.819 257 A HN 1.043 nan 8.150 nan 0.000 0.442 258 A N -0.180 122.687 122.820 0.079 0.000 1.883 258 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 258 A C 2.160 179.824 177.584 0.133 0.000 1.186 258 A CA 2.038 54.154 52.037 0.132 0.000 0.624 258 A CB -0.511 18.520 19.000 0.051 0.000 0.822 258 A HN 0.498 nan 8.150 nan 0.000 0.444 259 K N -1.092 119.364 120.400 0.093 0.000 2.057 259 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 259 K C 1.938 178.624 176.600 0.143 0.000 1.049 259 K CA 1.516 57.871 56.287 0.112 0.000 0.931 259 K CB -0.309 32.233 32.500 0.070 0.000 0.714 259 K HN 0.377 nan 8.250 nan 0.000 0.440 260 L N 1.109 122.407 121.223 0.125 0.000 2.083 260 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 260 L C 2.200 179.192 176.870 0.205 0.000 1.083 260 L CA 1.515 56.454 54.840 0.165 0.000 0.752 260 L CB -0.231 41.903 42.059 0.126 0.000 0.899 260 L HN 0.235 nan 8.230 nan 0.000 0.433 261 M N -1.649 118.038 119.600 0.145 0.000 2.086 261 M HA -0.258 4.222 4.480 -0.000 0.000 0.261 261 M C 2.356 178.715 176.300 0.098 0.000 1.067 261 M CA 1.993 57.360 55.300 0.113 0.000 1.116 261 M CB -0.405 32.261 32.600 0.109 0.000 1.348 261 M HN 0.484 nan 8.290 nan 0.000 0.407 262 H N -0.096 118.990 119.070 0.026 0.000 2.387 262 H HA -0.156 4.399 4.556 -0.000 0.000 0.299 262 H C 1.802 177.115 175.328 -0.024 0.000 1.090 262 H CA 2.293 58.328 56.048 -0.022 0.000 1.332 262 H CB -0.033 29.723 29.762 -0.010 0.000 1.386 262 H HN 0.428 nan 8.280 nan 0.000 0.516 263 E N -0.987 119.132 120.200 -0.135 0.000 2.051 263 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 263 E C 1.620 178.074 176.600 -0.244 0.000 0.991 263 E CA 1.301 57.562 56.400 -0.232 0.000 0.799 263 E CB -0.028 29.610 29.700 -0.103 0.000 0.748 263 E HN 0.692 nan 8.360 nan 0.000 0.449 264 H N -1.623 117.377 119.070 -0.116 0.000 2.547 264 H HA 0.151 4.707 4.556 -0.000 0.000 0.272 264 H C 0.960 176.222 175.328 -0.110 0.000 0.989 264 H CA 0.854 56.851 56.048 -0.085 0.000 1.214 264 H CB 0.725 30.465 29.762 -0.038 0.000 1.389 264 H HN 0.341 nan 8.280 nan 0.000 0.577 265 G N -0.212 108.540 108.800 -0.081 0.000 2.149 265 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.235 265 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.235 265 G C 0.183 174.961 174.900 -0.203 0.000 1.018 265 G CA 0.098 45.091 45.100 -0.178 0.000 0.728 265 G HN 0.660 nan 8.290 nan 0.000 0.508 266 A N -0.456 122.294 122.820 -0.118 0.000 2.327 266 A HA 0.838 5.158 4.320 -0.000 0.000 0.283 266 A C 0.166 177.648 177.584 -0.170 0.000 1.127 266 A CA -0.365 51.648 52.037 -0.039 0.000 0.810 266 A CB 0.569 19.583 19.000 0.024 0.000 1.066 266 A HN 0.558 nan 8.150 nan 0.000 0.492 267 F N 0.848 120.749 119.950 -0.082 0.000 2.380 267 F HA 0.568 5.094 4.527 -0.000 0.000 0.319 267 F C 0.393 176.097 175.800 -0.160 0.000 1.113 267 F CA -0.523 57.409 58.000 -0.113 0.000 1.056 267 F CB 1.452 40.377 39.000 -0.124 0.000 1.289 267 F HN 0.301 nan 8.300 nan 0.000 0.515 268 V N 0.961 120.846 119.914 -0.049 0.000 2.823 268 V HA 0.512 4.632 4.120 -0.000 0.000 0.312 268 V C -0.874 175.134 176.094 -0.143 0.000 1.072 268 V CA -0.886 61.281 62.300 -0.222 0.000 0.937 268 V CB 1.958 33.365 31.823 -0.693 0.000 1.013 268 V HN 0.456 nan 8.190 nan 0.000 0.430 269 V N 4.533 124.364 119.914 -0.137 0.000 2.327 269 V HA 0.341 4.461 4.120 -0.000 0.000 0.272 269 V C -2.562 173.436 176.094 -0.160 0.000 1.019 269 V CA -1.582 60.651 62.300 -0.112 0.000 0.814 269 V CB 1.342 33.130 31.823 -0.058 0.000 1.040 269 V HN 0.724 nan 8.190 nan 0.000 0.440 270 P HA 0.249 nan 4.420 nan 0.000 0.272 270 P C 0.374 177.619 177.300 -0.092 0.000 1.223 270 P CA 0.129 63.205 63.100 -0.040 0.000 0.784 270 P CB 0.527 32.238 31.700 0.019 0.000 0.923 271 T N -1.638 112.927 114.554 0.020 0.000 3.624 271 T HA 0.281 4.631 4.350 -0.000 0.000 0.244 271 T C 1.035 175.748 174.700 0.023 0.000 1.063 271 T CA -0.412 61.648 62.100 -0.066 0.000 1.252 271 T CB -1.070 67.728 68.868 -0.118 0.000 1.021 271 T HN 0.068 nan 8.240 nan 0.000 0.590 272 L N 0.118 121.387 121.223 0.077 0.000 2.079 272 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 272 L C 2.737 179.674 176.870 0.111 0.000 1.081 272 L CA 0.977 55.938 54.840 0.201 0.000 0.752 272 L CB -0.713 41.407 42.059 0.102 0.000 0.896 272 L HN 0.405 nan 8.230 nan 0.000 0.433 273 V N -0.433 119.465 119.914 -0.027 0.000 2.392 273 V HA -0.344 3.776 4.120 -0.000 0.000 0.249 273 V C 2.631 178.687 176.094 -0.063 0.000 1.059 273 V CA 2.615 64.895 62.300 -0.032 0.000 1.051 273 V CB -0.194 31.612 31.823 -0.027 0.000 0.658 273 V HN 0.573 nan 8.190 nan 0.000 0.455 274 T N -1.304 113.138 114.554 -0.186 0.000 2.867 274 T HA -0.176 4.173 4.350 -0.000 0.000 0.268 274 T C 1.550 176.093 174.700 -0.261 0.000 1.057 274 T CA 1.987 63.930 62.100 -0.261 0.000 1.136 274 T CB -0.302 68.338 68.868 -0.380 0.000 0.874 274 T HN 0.714 nan 8.240 nan 0.000 0.466 275 Y N 1.202 121.512 120.300 0.016 0.000 2.337 275 Y HA 0.112 4.662 4.550 -0.000 0.000 0.293 275 Y C 2.376 178.253 175.900 -0.038 0.000 1.123 275 Y CA 0.490 58.587 58.100 -0.006 0.000 1.201 275 Y CB -0.436 38.017 38.460 -0.012 0.000 1.011 275 Y HN 0.227 nan 8.280 nan 0.000 0.545 276 D N 0.121 120.563 120.400 0.069 0.000 2.117 276 D HA -0.142 4.497 4.640 -0.000 0.000 0.198 276 D C 2.284 178.521 176.300 -0.106 0.000 0.982 276 D CA 1.483 55.464 54.000 -0.032 0.000 0.828 276 D CB -0.482 40.282 40.800 -0.061 0.000 0.967 276 D HN 0.305 nan 8.370 nan 0.000 0.464 277 A N 0.391 123.159 122.820 -0.086 0.000 1.898 277 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 277 A C 2.258 179.863 177.584 0.035 0.000 1.181 277 A CA 0.834 52.850 52.037 -0.035 0.000 0.620 277 A CB -0.715 18.352 19.000 0.112 0.000 0.819 277 A HN 0.214 nan 8.150 nan 0.000 0.442 278 L N -0.873 120.371 121.223 0.035 0.000 2.376 278 L HA -0.068 4.272 4.340 -0.000 0.000 0.219 278 L C 2.905 179.777 176.870 0.002 0.000 1.133 278 L CA 0.535 55.406 54.840 0.052 0.000 0.816 278 L CB -0.389 41.709 42.059 0.065 0.000 0.933 278 L HN 0.447 nan 8.230 nan 0.000 0.449 279 A N 0.329 123.127 122.820 -0.036 0.000 1.855 279 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 279 A C 2.294 179.783 177.584 -0.159 0.000 1.191 279 A CA 1.581 53.573 52.037 -0.075 0.000 0.613 279 A CB -0.244 18.714 19.000 -0.070 0.000 0.829 279 A HN 0.156 nan 8.150 nan 0.000 0.442 280 K N -0.396 119.825 120.400 -0.299 0.000 2.001 280 K HA -0.039 4.281 4.320 -0.000 0.000 0.208 280 K C 0.724 177.009 176.600 -0.526 0.000 1.048 280 K CA 1.493 57.458 56.287 -0.537 0.000 0.932 280 K CB -0.104 31.820 32.500 -0.959 0.000 0.715 280 K HN 0.671 nan 8.250 nan 0.000 0.437 281 H N -1.290 117.732 119.070 -0.080 0.000 2.502 281 H HA 0.315 4.871 4.556 -0.000 0.000 0.268 281 H C 0.999 176.275 175.328 -0.087 0.000 1.177 281 H CA 0.124 56.058 56.048 -0.191 0.000 0.961 281 H CB 0.318 29.901 29.762 -0.300 0.000 1.737 281 H HN 0.263 nan 8.280 nan 0.000 0.569 282 G N 1.020 109.826 108.800 0.010 0.000 2.605 282 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.215 282 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.215 282 G C 1.661 176.592 174.900 0.051 0.000 1.279 282 G CA 0.822 45.952 45.100 0.051 0.000 0.831 282 G HN 0.441 nan 8.290 nan 0.000 0.560 283 A N 0.123 122.952 122.820 0.014 0.000 2.121 283 A HA 0.072 4.391 4.320 -0.000 0.000 0.218 283 A C 2.084 179.672 177.584 0.006 0.000 1.154 283 A CA 1.856 53.902 52.037 0.016 0.000 0.679 283 A CB -0.346 18.656 19.000 0.002 0.000 0.795 283 A HN 0.546 nan 8.150 nan 0.000 0.458 284 E N -1.109 119.065 120.200 -0.044 0.000 2.106 284 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 284 E C 0.322 176.876 176.600 -0.077 0.000 0.984 284 E CA 0.855 57.183 56.400 -0.121 0.000 0.806 284 E CB -0.099 29.447 29.700 -0.256 0.000 0.750 284 E HN 0.537 nan 8.360 nan 0.000 0.458 285 F N -0.148 119.841 119.950 0.065 0.000 2.645 285 F HA 0.326 4.853 4.527 -0.000 0.000 0.300 285 F C 1.285 177.097 175.800 0.021 0.000 1.115 285 F CA 0.472 58.497 58.000 0.042 0.000 1.355 285 F CB 0.752 39.784 39.000 0.054 0.000 1.026 285 F HN 0.175 nan 8.300 nan 0.000 0.536 286 G N 0.644 109.548 108.800 0.173 0.000 2.132 286 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.234 286 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.234 286 G C 0.384 175.322 174.900 0.064 0.000 0.989 286 G CA -0.047 45.111 45.100 0.097 0.000 0.676 286 G HN 0.317 nan 8.290 nan 0.000 0.522 287 M N 1.974 121.619 119.600 0.074 0.000 2.146 287 M HA 0.404 4.883 4.480 -0.000 0.000 0.357 287 M C -1.715 174.609 176.300 0.039 0.000 1.261 287 M CA -1.866 53.462 55.300 0.046 0.000 1.106 287 M CB 0.700 33.336 32.600 0.059 0.000 1.612 287 M HN -0.035 nan 8.290 nan 0.000 0.470 288 P HA -0.026 nan 4.420 nan 0.000 0.263 288 P C -2.435 174.883 177.300 0.031 0.000 1.168 288 P CA -0.594 62.523 63.100 0.029 0.000 0.759 288 P CB -0.369 31.351 31.700 0.034 0.000 0.782 289 P HA -0.162 nan 4.420 nan 0.000 0.221 289 P C 1.177 178.489 177.300 0.018 0.000 1.145 289 P CA 1.400 64.511 63.100 0.018 0.000 0.795 289 P CB -0.057 31.651 31.700 0.013 0.000 0.775 290 E N -1.264 118.950 120.200 0.024 0.000 2.479 290 E HA 0.084 4.434 4.350 -0.000 0.000 0.193 290 E C 1.233 177.853 176.600 0.034 0.000 1.049 290 E CA 0.519 56.933 56.400 0.024 0.000 0.870 290 E CB -0.491 29.224 29.700 0.023 0.000 0.944 290 E HN 0.069 nan 8.360 nan 0.000 0.492 291 S N 0.419 116.146 115.700 0.045 0.000 2.439 291 S HA 0.003 4.473 4.470 -0.000 0.000 0.224 291 S C 1.889 176.519 174.600 0.050 0.000 1.029 291 S CA 0.748 58.985 58.200 0.062 0.000 0.946 291 S CB 0.198 63.445 63.200 0.079 0.000 0.797 291 S HN 0.254 nan 8.310 nan 0.000 0.504 292 V N 1.641 121.577 119.914 0.037 0.000 3.041 292 V HA 0.076 4.196 4.120 -0.000 0.000 0.260 292 V C 2.370 178.469 176.094 0.008 0.000 1.105 292 V CA 1.096 63.411 62.300 0.026 0.000 1.125 292 V CB -1.284 30.550 31.823 0.018 0.000 0.730 292 V HN 0.444 nan 8.190 nan 0.000 0.479 293 A N 0.306 123.129 122.820 0.005 0.000 1.930 293 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 293 A C 2.333 179.905 177.584 -0.020 0.000 1.175 293 A CA 1.646 53.678 52.037 -0.008 0.000 0.627 293 A CB -0.350 18.647 19.000 -0.005 0.000 0.815 293 A HN 0.495 nan 8.150 nan 0.000 0.443 294 K N -0.795 119.597 120.400 -0.013 0.000 2.296 294 K HA 0.080 4.400 4.320 -0.000 0.000 0.200 294 K C 1.580 178.142 176.600 -0.064 0.000 1.048 294 K CA 0.672 56.935 56.287 -0.040 0.000 0.966 294 K CB -0.010 32.478 32.500 -0.019 0.000 0.754 294 K HN 0.262 nan 8.250 nan 0.000 0.466 295 V N 0.819 120.722 119.914 -0.018 0.000 2.809 295 V HA -0.120 4.000 4.120 -0.000 0.000 0.256 295 V C 1.948 178.013 176.094 -0.048 0.000 1.080 295 V CA 1.486 63.789 62.300 0.004 0.000 1.102 295 V CB -0.116 31.755 31.823 0.081 0.000 0.705 295 V HN 0.309 nan 8.190 nan 0.000 0.475 296 A N 0.310 123.095 122.820 -0.058 0.000 1.940 296 A HA -0.202 4.117 4.320 -0.000 0.000 0.219 296 A C 2.532 180.054 177.584 -0.105 0.000 1.176 296 A CA 2.433 54.429 52.037 -0.068 0.000 0.631 296 A CB -0.678 18.288 19.000 -0.056 0.000 0.814 296 A HN 0.771 nan 8.150 nan 0.000 0.446 297 S N -0.282 115.336 115.700 -0.138 0.000 2.406 297 S HA -0.065 4.405 4.470 -0.000 0.000 0.224 297 S C 1.709 176.172 174.600 -0.228 0.000 1.030 297 S CA 1.164 59.267 58.200 -0.162 0.000 0.958 297 S CB -0.981 62.124 63.200 -0.159 0.000 0.811 297 S HN 0.717 nan 8.310 nan 0.000 0.489 298 V N 1.671 121.384 119.914 -0.335 0.000 2.719 298 V HA -0.090 4.030 4.120 -0.000 0.000 0.252 298 V C 2.599 178.409 176.094 -0.473 0.000 1.065 298 V CA 1.222 63.226 62.300 -0.492 0.000 1.086 298 V CB -1.638 29.697 31.823 -0.814 0.000 0.700 298 V HN 0.684 nan 8.190 nan 0.000 0.467 299 Q N 0.095 119.675 119.800 -0.368 0.000 2.311 299 Q HA -0.102 4.238 4.340 -0.000 0.000 0.203 299 Q C 2.064 177.981 176.000 -0.139 0.000 0.954 299 Q CA 0.918 56.582 55.803 -0.231 0.000 0.885 299 Q CB -0.435 28.253 28.738 -0.084 0.000 0.963 299 Q HN 0.570 nan 8.270 nan 0.000 0.471 300 Q N 1.879 121.597 119.800 -0.136 0.000 1.927 300 Q HA -0.161 4.179 4.340 -0.000 0.000 0.210 300 Q C 1.760 177.704 176.000 -0.092 0.000 1.001 300 Q CA 1.691 57.435 55.803 -0.099 0.000 0.862 300 Q CB -0.455 28.224 28.738 -0.098 0.000 0.934 300 Q HN 0.268 nan 8.270 nan 0.000 0.420 301 K N 0.566 120.900 120.400 -0.110 0.000 2.574 301 K HA -0.015 4.305 4.320 -0.000 0.000 0.193 301 K C 1.818 178.368 176.600 -0.083 0.000 1.035 301 K CA 0.666 56.896 56.287 -0.095 0.000 0.982 301 K CB -0.645 31.794 32.500 -0.101 0.000 0.795 301 K HN 0.408 nan 8.250 nan 0.000 0.491 302 G N 0.647 109.392 108.800 -0.092 0.000 2.511 302 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.216 302 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.216 302 G C 1.465 176.361 174.900 -0.006 0.000 1.218 302 G CA 0.730 45.799 45.100 -0.052 0.000 0.788 302 G HN 0.245 nan 8.290 nan 0.000 0.560 303 R N 0.127 120.621 120.500 -0.010 0.000 2.091 303 R HA -0.007 4.333 4.340 -0.000 0.000 0.238 303 R C 2.530 178.825 176.300 -0.008 0.000 1.136 303 R CA 1.393 57.495 56.100 0.003 0.000 0.959 303 R CB -0.363 29.936 30.300 -0.001 0.000 0.856 303 R HN 0.536 nan 8.270 nan 0.000 0.437 304 E N 0.205 120.386 120.200 -0.032 0.000 2.097 304 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 304 E C 1.790 178.345 176.600 -0.074 0.000 1.000 304 E CA 1.773 58.143 56.400 -0.049 0.000 0.804 304 E CB 0.046 29.709 29.700 -0.062 0.000 0.740 304 E HN 0.417 nan 8.360 nan 0.000 0.454 305 S N 0.168 115.816 115.700 -0.087 0.000 2.399 305 S HA -0.160 4.310 4.470 -0.000 0.000 0.231 305 S C 1.985 176.489 174.600 -0.159 0.000 1.022 305 S CA 0.663 58.745 58.200 -0.196 0.000 0.983 305 S CB -0.356 62.757 63.200 -0.145 0.000 0.803 305 S HN 0.140 nan 8.310 nan 0.000 0.480 306 L N 2.084 123.331 121.223 0.040 0.000 2.021 306 L HA -0.127 4.213 4.340 -0.000 0.000 0.215 306 L C 2.748 179.664 176.870 0.076 0.000 1.074 306 L CA 1.921 56.842 54.840 0.135 0.000 0.760 306 L CB -1.191 40.923 42.059 0.092 0.000 0.889 306 L HN 0.412 nan 8.230 nan 0.000 0.433 307 E N -0.841 119.361 120.200 0.005 0.000 2.077 307 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 307 E C 2.286 178.863 176.600 -0.038 0.000 0.989 307 E CA 1.229 57.623 56.400 -0.010 0.000 0.800 307 E CB -0.126 29.560 29.700 -0.024 0.000 0.746 307 E HN 0.465 nan 8.360 nan 0.000 0.452 308 I N 0.252 120.753 120.570 -0.114 0.000 2.163 308 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 308 I C 2.047 178.094 176.117 -0.117 0.000 1.085 308 I CA 1.247 62.446 61.300 -0.168 0.000 1.347 308 I CB -0.510 37.307 38.000 -0.306 0.000 1.044 308 I HN 0.147 nan 8.210 nan 0.000 0.408 309 Y N 1.180 121.472 120.300 -0.014 0.000 2.181 309 Y HA -0.209 4.341 4.550 -0.000 0.000 0.288 309 Y C 2.756 178.639 175.900 -0.028 0.000 1.146 309 Y CA 1.023 59.115 58.100 -0.014 0.000 1.164 309 Y CB -1.152 37.307 38.460 -0.002 0.000 0.982 309 Y HN 0.126 nan 8.280 nan 0.000 0.515 310 A N 0.415 123.315 122.820 0.132 0.000 1.877 310 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 310 A C 2.166 179.753 177.584 0.004 0.000 1.186 310 A CA 1.959 54.030 52.037 0.056 0.000 0.620 310 A CB -0.744 18.282 19.000 0.044 0.000 0.822 310 A HN 0.435 nan 8.150 nan 0.000 0.443 311 N N 0.482 119.177 118.700 -0.009 0.000 2.084 311 N HA -0.096 4.644 4.740 -0.000 0.000 0.190 311 N C 1.697 177.166 175.510 -0.069 0.000 1.030 311 N CA 1.691 54.718 53.050 -0.038 0.000 0.849 311 N CB -0.601 37.862 38.487 -0.040 0.000 1.012 311 N HN 0.460 nan 8.380 nan 0.000 0.423 312 A N 0.004 122.791 122.820 -0.056 0.000 2.206 312 A HA 0.328 4.648 4.320 -0.000 0.000 0.211 312 A C 1.217 178.654 177.584 -0.246 0.000 1.158 312 A CA 0.795 52.773 52.037 -0.098 0.000 0.761 312 A CB -0.591 18.407 19.000 -0.004 0.000 0.801 312 A HN 0.351 nan 8.150 nan 0.000 0.473 313 G N -0.715 107.984 108.800 -0.169 0.000 2.324 313 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.292 313 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.292 313 G C -0.168 174.688 174.900 -0.073 0.000 1.079 313 G CA 0.177 45.154 45.100 -0.204 0.000 1.026 313 G HN 0.873 nan 8.290 nan 0.000 0.506 314 V N 0.270 120.197 119.914 0.022 0.000 2.370 314 V HA 0.379 4.499 4.120 -0.000 0.000 0.279 314 V C 0.839 176.902 176.094 -0.051 0.000 1.029 314 V CA -1.119 61.194 62.300 0.021 0.000 0.870 314 V CB 1.516 33.385 31.823 0.076 0.000 0.984 314 V HN 0.438 nan 8.190 nan 0.000 0.451 315 K N 4.692 125.014 120.400 -0.131 0.000 2.511 315 K HA 0.180 4.500 4.320 -0.000 0.000 0.280 315 K C -0.280 176.310 176.600 -0.017 0.000 1.008 315 K CA 0.920 57.160 56.287 -0.079 0.000 1.050 315 K CB 0.152 32.567 32.500 -0.141 0.000 0.889 315 K HN 0.592 nan 8.250 nan 0.000 0.484 316 M N 2.127 121.744 119.600 0.029 0.000 2.243 316 M HA 0.318 4.798 4.480 -0.000 0.000 0.324 316 M C 0.267 176.610 176.300 0.072 0.000 1.031 316 M CA -0.574 54.731 55.300 0.008 0.000 0.949 316 M CB 2.146 34.745 32.600 -0.003 0.000 1.615 316 M HN 0.732 nan 8.290 nan 0.000 0.430 317 G N 1.773 110.611 108.800 0.063 0.000 2.434 317 G HA2 0.558 4.518 3.960 -0.000 0.000 0.330 317 G HA3 0.558 4.518 3.960 -0.000 0.000 0.330 317 G C -1.412 173.546 174.900 0.097 0.000 1.155 317 G CA -0.509 44.647 45.100 0.093 0.000 0.917 317 G HN 0.619 nan 8.290 nan 0.000 0.493 318 F N 0.968 120.909 119.950 -0.017 0.000 2.495 318 F HA 0.519 5.046 4.527 -0.000 0.000 0.365 318 F C 0.702 176.479 175.800 -0.037 0.000 1.090 318 F CA 0.685 58.650 58.000 -0.059 0.000 1.235 318 F CB 0.908 39.857 39.000 -0.085 0.000 1.119 318 F HN 0.552 nan 8.300 nan 0.000 0.562 319 G N 2.605 111.175 108.800 -0.382 0.000 2.696 319 G HA2 0.443 4.403 3.960 -0.000 0.000 0.295 319 G HA3 0.443 4.403 3.960 -0.000 0.000 0.295 319 G C -0.839 173.825 174.900 -0.394 0.000 1.398 319 G CA -0.194 44.778 45.100 -0.214 0.000 0.920 319 G HN 0.725 nan 8.290 nan 0.000 0.492 320 S N -0.275 115.324 115.700 -0.168 0.000 2.891 320 S HA 0.243 4.713 4.470 -0.000 0.000 0.247 320 S C 0.682 175.246 174.600 -0.061 0.000 1.063 320 S CA 0.982 59.094 58.200 -0.148 0.000 0.857 320 S CB 0.172 63.332 63.200 -0.067 0.000 0.800 320 S HN 0.905 nan 8.310 nan 0.000 0.540 321 D N 0.766 121.208 120.400 0.071 0.000 2.800 321 D HA -0.115 4.524 4.640 -0.000 0.000 0.232 321 D C -0.823 175.520 176.300 0.072 0.000 1.137 321 D CA 0.278 54.402 54.000 0.207 0.000 0.718 321 D CB -1.999 38.894 40.800 0.155 0.000 1.084 321 D HN 0.505 nan 8.370 nan 0.000 0.432 322 L N -0.044 121.152 121.223 -0.046 0.000 2.395 322 L HA 0.495 4.835 4.340 -0.000 0.000 0.269 322 L C 0.745 177.351 176.870 -0.440 0.000 1.133 322 L CA -0.562 54.148 54.840 -0.217 0.000 0.812 322 L CB 0.863 42.783 42.059 -0.231 0.000 1.125 322 L HN 0.035 nan 8.230 nan 0.000 0.452 323 L N 1.582 122.625 121.223 -0.301 0.000 2.342 323 L HA 0.738 5.078 4.340 -0.000 0.000 0.271 323 L C 0.845 177.596 176.870 -0.200 0.000 1.008 323 L CA -0.563 54.142 54.840 -0.225 0.000 0.818 323 L CB 1.472 43.477 42.059 -0.090 0.000 1.296 323 L HN 0.849 nan 8.230 nan 0.000 0.427 324 G N 1.857 110.610 108.800 -0.078 0.000 2.574 324 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.286 324 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.286 324 G C 0.707 175.539 174.900 -0.114 0.000 1.212 324 G CA 0.452 45.504 45.100 -0.080 0.000 0.979 324 G HN 0.839 nan 8.290 nan 0.000 0.557 325 E N 0.465 120.456 120.200 -0.348 0.000 2.347 325 E HA 0.015 4.365 4.350 -0.000 0.000 0.196 325 E C 2.502 178.923 176.600 -0.299 0.000 1.008 325 E CA 1.180 57.346 56.400 -0.389 0.000 0.852 325 E CB -0.224 29.069 29.700 -0.678 0.000 0.783 325 E HN 0.678 nan 8.360 nan 0.000 0.505 326 M N 0.718 120.203 119.600 -0.191 0.000 2.763 326 M HA -0.041 4.439 4.480 -0.000 0.000 0.244 326 M C 1.223 177.505 176.300 -0.030 0.000 1.065 326 M CA 0.689 56.027 55.300 0.063 0.000 1.070 326 M CB -0.565 32.194 32.600 0.266 0.000 1.494 326 M HN 0.154 nan 8.290 nan 0.000 0.546 327 H N -0.236 118.781 119.070 -0.089 0.000 2.491 327 H HA -0.003 4.553 4.556 -0.000 0.000 0.290 327 H C 2.107 177.376 175.328 -0.098 0.000 1.050 327 H CA 1.193 57.203 56.048 -0.063 0.000 1.309 327 H CB 0.300 30.019 29.762 -0.071 0.000 1.392 327 H HN 0.470 nan 8.280 nan 0.000 0.554 328 A N 0.019 122.750 122.820 -0.149 0.000 2.067 328 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 328 A C 1.403 178.873 177.584 -0.189 0.000 1.158 328 A CA 0.829 52.720 52.037 -0.244 0.000 0.661 328 A CB -0.667 18.064 19.000 -0.449 0.000 0.801 328 A HN 0.416 nan 8.150 nan 0.000 0.452 329 F N -0.186 119.830 119.950 0.110 0.000 2.769 329 F HA 0.044 4.571 4.527 -0.000 0.000 0.304 329 F C 2.135 178.014 175.800 0.132 0.000 1.158 329 F CA 0.438 58.508 58.000 0.118 0.000 1.398 329 F CB -0.119 38.945 39.000 0.106 0.000 1.094 329 F HN 0.339 nan 8.300 nan 0.000 0.553 330 Q N 0.388 120.340 119.800 0.253 0.000 2.112 330 Q HA -0.218 4.122 4.340 -0.000 0.000 0.206 330 Q C 2.007 178.222 176.000 0.357 0.000 0.987 330 Q CA 2.157 58.095 55.803 0.225 0.000 0.858 330 Q CB -0.043 28.773 28.738 0.130 0.000 0.905 330 Q HN 0.318 nan 8.270 nan 0.000 0.420 331 S N -0.611 115.348 115.700 0.432 0.000 2.461 331 S HA 0.008 4.478 4.470 -0.000 0.000 0.228 331 S C 1.662 176.553 174.600 0.486 0.000 1.005 331 S CA 0.540 59.080 58.200 0.567 0.000 0.942 331 S CB 0.008 63.506 63.200 0.498 0.000 0.776 331 S HN 0.642 nan 8.310 nan 0.000 0.514 332 G N 1.711 110.722 108.800 0.352 0.000 2.499 332 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.221 332 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.221 332 G C 1.206 176.230 174.900 0.207 0.000 1.109 332 G CA 1.159 46.418 45.100 0.265 0.000 0.749 332 G HN 0.550 nan 8.290 nan 0.000 0.568 333 E N -0.025 120.268 120.200 0.155 0.000 2.204 333 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 333 E C 1.893 178.525 176.600 0.054 0.000 0.990 333 E CA 0.616 56.985 56.400 -0.052 0.000 0.821 333 E CB -0.372 29.039 29.700 -0.482 0.000 0.750 333 E HN 0.416 nan 8.360 nan 0.000 0.477 334 F N 0.489 120.638 119.950 0.332 0.000 2.095 334 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 334 F C 2.579 178.452 175.800 0.122 0.000 1.104 334 F CA 1.720 59.864 58.000 0.240 0.000 1.232 334 F CB -0.558 38.522 39.000 0.132 0.000 0.987 334 F HN 0.014 nan 8.300 nan 0.000 0.475 335 R N 0.408 121.089 120.500 0.302 0.000 2.075 335 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 335 R C 2.241 178.616 176.300 0.126 0.000 1.126 335 R CA 1.382 57.590 56.100 0.179 0.000 0.963 335 R CB -0.509 29.877 30.300 0.144 0.000 0.858 335 R HN 0.261 nan 8.270 nan 0.000 0.435 336 I N 0.263 120.896 120.570 0.105 0.000 2.208 336 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 336 I C 2.314 178.470 176.117 0.065 0.000 1.097 336 I CA 1.516 62.854 61.300 0.064 0.000 1.363 336 I CB -0.254 37.768 38.000 0.037 0.000 1.051 336 I HN 0.187 nan 8.210 nan 0.000 0.413 337 R N 0.551 121.099 120.500 0.080 0.000 2.119 337 R HA 0.008 4.348 4.340 -0.000 0.000 0.222 337 R C 2.432 178.792 176.300 0.101 0.000 1.088 337 R CA 1.160 57.310 56.100 0.083 0.000 0.984 337 R CB -0.336 30.017 30.300 0.087 0.000 0.884 337 R HN 0.346 nan 8.270 nan 0.000 0.447 338 A N 1.438 124.333 122.820 0.126 0.000 1.969 338 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 338 A C 1.747 179.375 177.584 0.072 0.000 1.169 338 A CA 1.195 53.295 52.037 0.105 0.000 0.635 338 A CB -0.215 18.852 19.000 0.111 0.000 0.810 338 A HN 0.284 nan 8.150 nan 0.000 0.445 339 E N -0.779 119.460 120.200 0.066 0.000 2.347 339 E HA -0.025 4.325 4.350 -0.000 0.000 0.196 339 E C 1.483 178.107 176.600 0.039 0.000 1.008 339 E CA 0.861 57.290 56.400 0.048 0.000 0.852 339 E CB 0.081 29.808 29.700 0.043 0.000 0.783 339 E HN 0.478 nan 8.360 nan 0.000 0.505 340 V N 0.166 120.106 119.914 0.044 0.000 2.743 340 V HA 0.082 4.202 4.120 -0.000 0.000 0.237 340 V C 0.777 176.894 176.094 0.038 0.000 1.113 340 V CA 0.401 62.722 62.300 0.036 0.000 1.141 340 V CB 0.180 32.025 31.823 0.036 0.000 0.873 340 V HN 0.044 nan 8.190 nan 0.000 0.486 341 L N -0.006 121.247 121.223 0.050 0.000 2.358 341 L HA 0.733 5.073 4.340 -0.000 0.000 0.268 341 L C 0.926 177.828 176.870 0.053 0.000 1.032 341 L CA -0.463 54.407 54.840 0.050 0.000 0.805 341 L CB 0.285 42.380 42.059 0.060 0.000 1.253 341 L HN 0.232 nan 8.230 nan 0.000 0.452 342 G N 0.140 108.968 108.800 0.047 0.000 2.630 342 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.236 342 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.236 342 G C 0.673 175.609 174.900 0.059 0.000 1.248 342 G CA -0.289 44.838 45.100 0.045 0.000 0.844 342 G HN 0.891 nan 8.290 nan 0.000 0.588 343 N N 0.738 119.469 118.700 0.052 0.000 2.550 343 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 343 N C 1.809 177.349 175.510 0.050 0.000 1.110 343 N CA 0.222 53.308 53.050 0.059 0.000 0.912 343 N CB -0.074 38.438 38.487 0.041 0.000 0.968 343 N HN 0.427 nan 8.380 nan 0.000 0.448 344 L N 0.266 121.515 121.223 0.042 0.000 2.005 344 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 344 L C 2.364 179.273 176.870 0.065 0.000 1.072 344 L CA 1.816 56.681 54.840 0.042 0.000 0.744 344 L CB -0.249 41.830 42.059 0.033 0.000 0.895 344 L HN 0.132 nan 8.230 nan 0.000 0.433 345 E N 0.358 120.600 120.200 0.071 0.000 2.085 345 E HA -0.223 4.126 4.350 -0.000 0.000 0.194 345 E C 1.977 178.654 176.600 0.129 0.000 0.994 345 E CA 1.746 58.198 56.400 0.087 0.000 0.801 345 E CB -0.206 29.539 29.700 0.075 0.000 0.743 345 E HN 0.491 nan 8.360 nan 0.000 0.453 346 A N 0.363 123.275 122.820 0.154 0.000 1.908 346 A HA -0.155 4.164 4.320 -0.000 0.000 0.218 346 A C 2.338 180.128 177.584 0.343 0.000 1.181 346 A CA 1.612 53.804 52.037 0.258 0.000 0.627 346 A CB -0.735 18.439 19.000 0.290 0.000 0.818 346 A HN 0.353 nan 8.150 nan 0.000 0.445 347 L N -1.544 119.803 121.223 0.207 0.000 2.217 347 L HA -0.072 4.268 4.340 -0.000 0.000 0.211 347 L C 2.772 179.735 176.870 0.155 0.000 1.107 347 L CA 0.759 55.690 54.840 0.152 0.000 0.783 347 L CB -0.411 41.657 42.059 0.015 0.000 0.919 347 L HN 0.338 nan 8.230 nan 0.000 0.442 348 R N -0.071 120.510 120.500 0.134 0.000 2.115 348 R HA -0.114 4.226 4.340 -0.000 0.000 0.226 348 R C 2.644 179.026 176.300 0.136 0.000 1.100 348 R CA 1.499 57.668 56.100 0.115 0.000 0.980 348 R CB -0.207 30.149 30.300 0.092 0.000 0.875 348 R HN 0.449 nan 8.270 nan 0.000 0.445 349 S N 0.262 116.063 115.700 0.169 0.000 2.399 349 S HA -0.078 4.392 4.470 -0.000 0.000 0.231 349 S C 1.881 176.601 174.600 0.200 0.000 1.022 349 S CA 1.119 59.429 58.200 0.183 0.000 0.983 349 S CB 0.083 63.408 63.200 0.209 0.000 0.803 349 S HN 0.310 nan 8.310 nan 0.000 0.480 350 A N 0.777 123.704 122.820 0.178 0.000 2.308 350 A HA 0.410 4.730 4.320 -0.000 0.000 0.217 350 A C 1.749 179.417 177.584 0.140 0.000 1.216 350 A CA 0.743 52.828 52.037 0.081 0.000 0.864 350 A CB -0.351 18.513 19.000 -0.226 0.000 0.902 350 A HN 0.756 nan 8.150 nan 0.000 0.499 351 T N -4.668 109.970 114.554 0.139 0.000 3.349 351 T HA 0.022 4.372 4.350 -0.000 0.000 0.169 351 T C 1.868 176.622 174.700 0.090 0.000 0.938 351 T CA 1.156 63.331 62.100 0.125 0.000 1.017 351 T CB -0.851 68.093 68.868 0.126 0.000 1.476 351 T HN 0.240 nan 8.240 nan 0.000 0.327 352 T N 1.341 115.944 114.554 0.082 0.000 2.777 352 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 352 T C 2.076 176.817 174.700 0.068 0.000 1.040 352 T CA 1.392 63.531 62.100 0.066 0.000 1.141 352 T CB -1.104 67.800 68.868 0.061 0.000 0.868 352 T HN 0.216 nan 8.240 nan 0.000 0.444 353 V N 2.347 122.314 119.914 0.089 0.000 2.307 353 V HA -0.018 4.102 4.120 -0.000 0.000 0.245 353 V C 3.272 179.397 176.094 0.052 0.000 1.045 353 V CA 1.443 63.809 62.300 0.110 0.000 1.024 353 V CB -1.517 30.389 31.823 0.138 0.000 0.651 353 V HN 0.650 nan 8.190 nan 0.000 0.449 354 A N 0.395 123.246 122.820 0.051 0.000 1.883 354 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 354 A C 2.419 179.963 177.584 -0.066 0.000 1.186 354 A CA 2.328 54.370 52.037 0.007 0.000 0.624 354 A CB -0.909 18.138 19.000 0.080 0.000 0.822 354 A HN 0.594 nan 8.150 nan 0.000 0.444 355 A N -0.760 122.045 122.820 -0.026 0.000 2.019 355 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 355 A C 1.995 179.513 177.584 -0.110 0.000 1.164 355 A CA 1.735 53.740 52.037 -0.053 0.000 0.644 355 A CB -0.471 18.530 19.000 0.002 0.000 0.805 355 A HN 0.695 nan 8.150 nan 0.000 0.449 356 E N -0.157 119.984 120.200 -0.099 0.000 2.072 356 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 356 E C 1.840 178.205 176.600 -0.393 0.000 0.985 356 E CA 1.022 57.338 56.400 -0.141 0.000 0.801 356 E CB -0.189 29.516 29.700 0.008 0.000 0.750 356 E HN 0.675 nan 8.360 nan 0.000 0.452 357 I N 0.966 121.217 120.570 -0.531 0.000 2.163 357 I HA -0.238 3.932 4.170 -0.000 0.000 0.243 357 I C 2.238 178.005 176.117 -0.584 0.000 1.085 357 I CA 1.212 62.036 61.300 -0.794 0.000 1.347 357 I CB -0.202 37.460 38.000 -0.564 0.000 1.044 357 I HN 0.154 nan 8.210 nan 0.000 0.408 358 V N -1.402 118.265 119.914 -0.413 0.000 3.611 358 V HA 0.125 4.245 4.120 -0.000 0.000 0.281 358 V C 0.670 176.557 176.094 -0.344 0.000 1.247 358 V CA 0.144 62.167 62.300 -0.462 0.000 1.198 358 V CB -1.306 29.995 31.823 -0.870 0.000 0.977 358 V HN 0.587 nan 8.190 nan 0.000 0.445 359 N N 0.502 119.046 118.700 -0.259 0.000 2.725 359 N HA -0.179 4.561 4.740 -0.000 0.000 0.249 359 N C 0.370 175.833 175.510 -0.080 0.000 1.103 359 N CA 1.385 54.352 53.050 -0.139 0.000 0.707 359 N CB -0.740 37.710 38.487 -0.061 0.000 1.043 359 N HN 0.527 nan 8.380 nan 0.000 0.553 360 M N 0.515 120.061 119.600 -0.090 0.000 2.869 360 M HA 0.047 4.527 4.480 -0.000 0.000 0.353 360 M C 0.406 176.702 176.300 -0.007 0.000 1.224 360 M CA -0.000 55.288 55.300 -0.020 0.000 0.917 360 M CB 0.282 32.889 32.600 0.011 0.000 1.322 360 M HN 0.058 nan 8.290 nan 0.000 0.516 361 Q N 0.317 120.108 119.800 -0.015 0.000 2.239 361 Q HA 0.279 4.619 4.340 -0.000 0.000 0.286 361 Q C 0.866 176.875 176.000 0.014 0.000 1.102 361 Q CA 1.202 57.006 55.803 0.001 0.000 0.936 361 Q CB 0.108 28.849 28.738 0.005 0.000 1.127 361 Q HN 0.688 nan 8.270 nan 0.000 0.380 362 G N 2.747 111.558 108.800 0.019 0.000 2.241 362 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.244 362 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.244 362 G C 0.829 175.743 174.900 0.024 0.000 0.998 362 G CA 0.468 45.581 45.100 0.021 0.000 0.621 362 G HN 0.523 nan 8.290 nan 0.000 0.519 363 Q N -0.340 119.477 119.800 0.029 0.000 2.324 363 Q HA 0.568 4.908 4.340 -0.000 0.000 0.207 363 Q C 1.280 177.307 176.000 0.044 0.000 0.928 363 Q CA 0.998 56.824 55.803 0.038 0.000 0.890 363 Q CB 0.202 28.971 28.738 0.050 0.000 1.001 363 Q HN 0.660 nan 8.270 nan 0.000 0.517 364 L N -2.959 118.292 121.223 0.047 0.000 2.277 364 L HA 0.616 4.956 4.340 -0.000 0.000 0.254 364 L C 0.664 177.560 176.870 0.044 0.000 1.044 364 L CA -0.584 54.288 54.840 0.053 0.000 0.842 364 L CB 1.867 43.977 42.059 0.086 0.000 1.422 364 L HN 0.242 nan 8.230 nan 0.000 0.422 365 G N 0.333 109.162 108.800 0.048 0.000 2.155 365 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.257 365 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.257 365 G C -0.443 174.482 174.900 0.042 0.000 0.983 365 G CA 0.408 45.541 45.100 0.054 0.000 0.676 365 G HN 0.508 nan 8.290 nan 0.000 0.528 366 V N 0.691 120.622 119.914 0.029 0.000 2.777 366 V HA 0.590 4.710 4.120 -0.000 0.000 0.306 366 V C -0.239 175.862 176.094 0.011 0.000 1.112 366 V CA -1.103 61.210 62.300 0.021 0.000 0.917 366 V CB 1.655 33.491 31.823 0.022 0.000 1.018 366 V HN 0.314 nan 8.190 nan 0.000 0.426 367 I N 6.839 127.412 120.570 0.004 0.000 2.260 367 I HA 0.651 4.821 4.170 -0.000 0.000 0.297 367 I C 0.445 176.565 176.117 0.006 0.000 1.143 367 I CA 0.342 61.642 61.300 -0.000 0.000 1.271 367 I CB 0.477 38.472 38.000 -0.009 0.000 1.461 367 I HN 0.754 nan 8.210 nan 0.000 0.530 368 A N 5.208 128.034 122.820 0.010 0.000 2.593 368 A HA 0.705 5.025 4.320 -0.000 0.000 0.290 368 A C -0.758 176.835 177.584 0.016 0.000 1.126 368 A CA -0.552 51.494 52.037 0.015 0.000 0.695 368 A CB 1.430 20.439 19.000 0.015 0.000 1.290 368 A HN 0.176 nan 8.150 nan 0.000 0.414 369 V N 1.191 121.116 119.914 0.018 0.000 2.521 369 V HA 0.465 4.585 4.120 -0.000 0.000 0.286 369 V C 1.483 177.586 176.094 0.015 0.000 1.034 369 V CA 1.883 64.193 62.300 0.017 0.000 1.045 369 V CB 0.264 32.097 31.823 0.018 0.000 0.974 369 V HN 2.237 nan 8.190 nan 0.000 0.480 370 G N 3.676 112.484 108.800 0.013 0.000 2.232 370 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.226 370 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.226 370 G C 0.450 175.359 174.900 0.014 0.000 0.996 370 G CA 0.201 45.309 45.100 0.013 0.000 0.626 370 G HN 1.364 nan 8.290 nan 0.000 0.509 371 A N 0.074 122.902 122.820 0.014 0.000 2.296 371 A HA 0.743 5.063 4.320 -0.000 0.000 0.264 371 A C 0.620 178.212 177.584 0.013 0.000 1.097 371 A CA 0.014 52.061 52.037 0.016 0.000 0.811 371 A CB 0.273 19.282 19.000 0.016 0.000 1.072 371 A HN 0.793 nan 8.150 nan 0.000 0.495 372 I N 0.287 120.867 120.570 0.017 0.000 2.519 372 I HA 0.309 4.479 4.170 -0.000 0.000 0.287 372 I C 0.981 177.099 176.117 0.002 0.000 1.047 372 I CA -0.092 61.215 61.300 0.012 0.000 1.381 372 I CB 1.505 39.518 38.000 0.022 0.000 1.417 372 I HN 0.636 nan 8.210 nan 0.000 0.540 373 A N 4.459 127.275 122.820 -0.007 0.000 3.077 373 A HA 0.184 4.504 4.320 -0.000 0.000 0.255 373 A C -0.470 177.098 177.584 -0.027 0.000 1.728 373 A CA -0.274 51.752 52.037 -0.018 0.000 1.383 373 A CB -0.959 18.029 19.000 -0.020 0.000 1.097 373 A HN 0.598 nan 8.150 nan 0.000 0.634 374 D N 1.234 121.618 120.400 -0.027 0.000 2.467 374 D HA 0.479 5.119 4.640 -0.000 0.000 0.220 374 D C -0.493 175.763 176.300 -0.074 0.000 1.103 374 D CA 0.173 54.147 54.000 -0.043 0.000 0.886 374 D CB 0.926 41.713 40.800 -0.022 0.000 1.025 374 D HN 0.113 nan 8.370 nan 0.000 0.514 375 L N 1.905 123.073 121.223 -0.092 0.000 2.354 375 L HA 0.577 4.917 4.340 -0.000 0.000 0.269 375 L C -0.184 176.588 176.870 -0.164 0.000 1.005 375 L CA -1.142 53.628 54.840 -0.115 0.000 0.819 375 L CB 1.976 43.987 42.059 -0.081 0.000 1.311 375 L HN 0.012 nan 8.230 nan 0.000 0.423 376 V N 2.357 122.141 119.914 -0.217 0.000 2.604 376 V HA 0.584 4.704 4.120 -0.000 0.000 0.305 376 V C -0.364 175.652 176.094 -0.130 0.000 1.043 376 V CA -0.766 61.385 62.300 -0.249 0.000 0.888 376 V CB 2.595 34.100 31.823 -0.530 0.000 0.995 376 V HN 0.438 nan 8.190 nan 0.000 0.429 377 V N 5.903 125.791 119.914 -0.044 0.000 2.384 377 V HA 0.501 4.621 4.120 -0.000 0.000 0.287 377 V C -0.653 175.439 176.094 -0.003 0.000 1.020 377 V CA -0.535 61.777 62.300 0.020 0.000 0.850 377 V CB 1.555 33.476 31.823 0.164 0.000 0.987 377 V HN 0.534 nan 8.190 nan 0.000 0.436 378 L N 4.065 125.278 121.223 -0.017 0.000 2.362 378 L HA 0.529 4.869 4.340 -0.000 0.000 0.275 378 L C -0.297 176.560 176.870 -0.022 0.000 0.998 378 L CA -0.331 54.493 54.840 -0.027 0.000 0.820 378 L CB 1.707 43.749 42.059 -0.029 0.000 1.270 378 L HN 0.672 nan 8.230 nan 0.000 0.415 379 D N 3.118 123.502 120.400 -0.026 0.000 2.483 379 D HA 0.547 5.187 4.640 -0.000 0.000 0.220 379 D C 0.278 176.565 176.300 -0.021 0.000 1.173 379 D CA 0.954 54.940 54.000 -0.024 0.000 0.964 379 D CB 0.045 40.827 40.800 -0.030 0.000 1.046 379 D HN 0.796 nan 8.370 nan 0.000 0.517 380 G N 2.570 111.356 108.800 -0.023 0.000 2.343 380 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.465 380 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.465 380 G C -1.212 173.672 174.900 -0.026 0.000 1.282 380 G CA -1.103 43.985 45.100 -0.021 0.000 0.996 380 G HN 0.521 nan 8.290 nan 0.000 0.521 381 N N 0.909 119.595 118.700 -0.025 0.000 2.479 381 N HA 0.630 5.370 4.740 -0.000 0.000 0.261 381 N C -0.759 174.731 175.510 -0.033 0.000 0.979 381 N CA -1.837 51.196 53.050 -0.028 0.000 0.930 381 N CB 2.489 40.964 38.487 -0.021 0.000 1.172 381 N HN 0.189 nan 8.380 nan 0.000 0.499 382 P HA -0.109 nan 4.420 nan 0.000 0.221 382 P C 1.267 178.536 177.300 -0.051 0.000 1.150 382 P CA 0.356 63.413 63.100 -0.071 0.000 0.800 382 P CB 0.453 32.085 31.700 -0.113 0.000 0.787 383 L N -0.219 120.983 121.223 -0.035 0.000 2.353 383 L HA -0.067 4.273 4.340 -0.000 0.000 0.220 383 L C 2.121 178.985 176.870 -0.010 0.000 1.133 383 L CA 1.825 56.654 54.840 -0.019 0.000 0.798 383 L CB -1.192 40.858 42.059 -0.014 0.000 0.922 383 L HN -0.025 nan 8.230 nan 0.000 0.445 384 E N -2.200 117.993 120.200 -0.012 0.000 2.367 384 E HA 0.026 4.376 4.350 -0.000 0.000 0.204 384 E C -0.134 176.465 176.600 -0.003 0.000 0.840 384 E CA -0.003 56.395 56.400 -0.004 0.000 1.051 384 E CB 0.759 30.458 29.700 -0.002 0.000 1.051 384 E HN 0.154 nan 8.360 nan 0.000 0.509 385 D N 0.320 120.714 120.400 -0.010 0.000 2.453 385 D HA 0.100 4.740 4.640 -0.000 0.000 0.238 385 D C 0.255 176.543 176.300 -0.020 0.000 1.088 385 D CA -0.299 53.697 54.000 -0.007 0.000 0.854 385 D CB 1.190 41.987 40.800 -0.004 0.000 1.076 385 D HN -0.045 nan 8.370 nan 0.000 0.533 386 I N 3.342 123.905 120.570 -0.011 0.000 2.756 386 I HA 0.102 4.272 4.170 -0.000 0.000 0.262 386 I C 1.993 178.096 176.117 -0.023 0.000 1.225 386 I CA 1.048 62.332 61.300 -0.026 0.000 1.472 386 I CB -0.221 37.793 38.000 0.023 0.000 1.094 386 I HN 0.581 nan 8.210 nan 0.000 0.454 387 G N -0.094 108.710 108.800 0.006 0.000 2.498 387 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.219 387 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.219 387 G C 1.648 176.552 174.900 0.008 0.000 1.119 387 G CA 0.967 46.082 45.100 0.024 0.000 0.766 387 G HN 0.480 nan 8.290 nan 0.000 0.552 388 V N -1.576 118.324 119.914 -0.023 0.000 3.141 388 V HA 0.054 4.173 4.120 -0.000 0.000 0.265 388 V C 2.005 178.075 176.094 -0.040 0.000 1.126 388 V CA 1.525 63.810 62.300 -0.026 0.000 1.141 388 V CB 0.018 31.822 31.823 -0.032 0.000 0.743 388 V HN 0.122 nan 8.190 nan 0.000 0.492 389 V N -0.076 119.779 119.914 -0.098 0.000 3.359 389 V HA 0.490 4.610 4.120 -0.000 0.000 0.245 389 V C 2.158 178.235 176.094 -0.028 0.000 1.247 389 V CA 0.804 62.996 62.300 -0.179 0.000 1.145 389 V CB 0.256 31.686 31.823 -0.655 0.000 0.906 389 V HN 0.520 nan 8.190 nan 0.000 0.464 390 A N -0.252 122.597 122.820 0.047 0.000 2.640 390 A HA 0.303 4.623 4.320 -0.000 0.000 0.282 390 A C 0.571 178.266 177.584 0.185 0.000 1.357 390 A CA 0.354 52.518 52.037 0.210 0.000 0.946 390 A CB -0.485 18.658 19.000 0.238 0.000 1.065 390 A HN 0.407 nan 8.150 nan 0.000 0.541 391 D N 0.172 120.662 120.400 0.150 0.000 2.720 391 D HA 0.115 4.755 4.640 -0.000 0.000 0.285 391 D C -0.100 176.281 176.300 0.135 0.000 1.359 391 D CA -0.003 54.076 54.000 0.132 0.000 0.818 391 D CB -0.030 40.823 40.800 0.088 0.000 1.108 391 D HN 0.190 nan 8.370 nan 0.000 0.474 392 E N 0.122 120.427 120.200 0.174 0.000 2.302 392 E HA -0.203 4.147 4.350 -0.000 0.000 0.186 392 E C 0.831 177.501 176.600 0.117 0.000 1.444 392 E CA 0.949 57.443 56.400 0.156 0.000 0.671 392 E CB -1.379 28.394 29.700 0.122 0.000 1.122 392 E HN 0.706 nan 8.360 nan 0.000 0.366 393 G N 0.242 109.121 108.800 0.132 0.000 2.175 393 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.265 393 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.265 393 G C 1.108 176.037 174.900 0.048 0.000 0.979 393 G CA 1.370 46.524 45.100 0.090 0.000 0.663 393 G HN 1.033 nan 8.290 nan 0.000 0.533 394 A N -0.219 122.632 122.820 0.051 0.000 1.873 394 A HA 0.205 4.525 4.320 -0.000 0.000 0.215 394 A C 2.089 179.677 177.584 0.006 0.000 1.186 394 A CA 1.921 53.975 52.037 0.028 0.000 0.616 394 A CB -0.130 18.893 19.000 0.039 0.000 0.823 394 A HN 0.431 nan 8.150 nan 0.000 0.442 395 R N -1.078 119.428 120.500 0.009 0.000 2.586 395 R HA 0.279 4.619 4.340 -0.000 0.000 0.336 395 R C -0.687 175.598 176.300 -0.025 0.000 1.060 395 R CA -0.015 56.078 56.100 -0.011 0.000 1.079 395 R CB 0.823 31.120 30.300 -0.005 0.000 1.317 395 R HN 0.266 nan 8.270 nan 0.000 0.568 396 V N 1.719 121.615 119.914 -0.029 0.000 2.357 396 V HA 0.210 4.330 4.120 -0.000 0.000 0.284 396 V C 0.512 176.545 176.094 -0.102 0.000 1.018 396 V CA -0.334 61.934 62.300 -0.054 0.000 0.841 396 V CB 1.455 33.252 31.823 -0.042 0.000 0.991 396 V HN 0.373 nan 8.190 nan 0.000 0.437 397 E N 5.581 125.684 120.200 -0.162 0.000 2.473 397 E HA 0.090 4.440 4.350 -0.000 0.000 0.204 397 E C -0.915 175.362 176.600 -0.538 0.000 0.994 397 E CA 0.012 56.206 56.400 -0.343 0.000 0.945 397 E CB 0.476 29.918 29.700 -0.429 0.000 0.990 397 E HN 0.652 nan 8.360 nan 0.000 0.493 398 Y N 0.341 120.603 120.300 -0.063 0.000 2.406 398 Y HA 0.455 5.005 4.550 -0.000 0.000 0.340 398 Y C -0.523 175.319 175.900 -0.096 0.000 0.975 398 Y CA -1.058 57.001 58.100 -0.069 0.000 1.056 398 Y CB 2.454 40.875 38.460 -0.065 0.000 1.210 398 Y HN -0.246 nan 8.280 nan 0.000 0.448 399 V N 5.245 125.206 119.914 0.078 0.000 2.444 399 V HA 0.448 4.568 4.120 -0.000 0.000 0.294 399 V C -0.839 175.251 176.094 -0.007 0.000 1.022 399 V CA -0.722 61.569 62.300 -0.015 0.000 0.850 399 V CB 1.705 33.497 31.823 -0.053 0.000 0.992 399 V HN 0.498 nan 8.190 nan 0.000 0.426 400 L N 4.211 125.411 121.223 -0.040 0.000 2.317 400 L HA 0.630 4.970 4.340 -0.000 0.000 0.281 400 L C -0.177 176.665 176.870 -0.047 0.000 1.024 400 L CA 0.207 55.023 54.840 -0.041 0.000 0.810 400 L CB 1.737 43.765 42.059 -0.052 0.000 1.240 400 L HN 0.696 nan 8.230 nan 0.000 0.427 401 Q N 2.893 122.671 119.800 -0.037 0.000 2.304 401 Q HA 0.434 4.774 4.340 -0.000 0.000 0.270 401 Q C -0.647 175.334 176.000 -0.032 0.000 1.035 401 Q CA -0.760 55.022 55.803 -0.035 0.000 0.781 401 Q CB 1.301 30.019 28.738 -0.034 0.000 1.261 401 Q HN 0.416 nan 8.270 nan 0.000 0.444 402 R N 2.770 123.253 120.500 -0.028 0.000 3.109 402 R HA -0.340 4.000 4.340 -0.000 0.000 0.241 402 R C 0.657 176.943 176.300 -0.024 0.000 0.882 402 R CA 0.831 56.917 56.100 -0.023 0.000 0.604 402 R CB -1.791 28.493 30.300 -0.026 0.000 1.040 402 R HN 1.164 nan 8.270 nan 0.000 0.480 403 G N -1.335 107.450 108.800 -0.025 0.000 2.579 403 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.222 403 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.222 403 G C 0.250 175.132 174.900 -0.031 0.000 1.201 403 G CA 0.561 45.645 45.100 -0.026 0.000 0.710 403 G HN 0.775 nan 8.290 nan 0.000 0.516 404 T N 0.483 115.020 114.554 -0.029 0.000 2.913 404 T HA 0.637 4.987 4.350 -0.000 0.000 0.287 404 T C 0.213 174.897 174.700 -0.026 0.000 1.008 404 T CA 0.141 62.225 62.100 -0.028 0.000 1.067 404 T CB 1.652 70.505 68.868 -0.024 0.000 0.996 404 T HN 1.310 nan 8.240 nan 0.000 0.513 405 L N 4.693 125.903 121.223 -0.022 0.000 2.290 405 L HA 0.517 4.857 4.340 -0.000 0.000 0.284 405 L C 0.372 177.245 176.870 0.006 0.000 1.078 405 L CA 0.070 54.907 54.840 -0.006 0.000 0.815 405 L CB 1.075 43.131 42.059 -0.004 0.000 1.162 405 L HN 0.649 nan 8.230 nan 0.000 0.435 406 V N 1.864 121.784 119.914 0.011 0.000 3.562 406 V HA 0.407 4.527 4.120 -0.000 0.000 0.270 406 V C 0.214 176.314 176.094 0.010 0.000 1.418 406 V CA -0.083 62.219 62.300 0.003 0.000 1.033 406 V CB -0.309 31.508 31.823 -0.011 0.000 0.820 406 V HN 0.621 nan 8.190 nan 0.000 0.441 407 K N 1.888 122.303 120.400 0.026 0.000 2.507 407 K HA 0.542 4.861 4.320 -0.000 0.000 0.251 407 K C -1.188 175.431 176.600 0.031 0.000 0.943 407 K CA -0.290 56.006 56.287 0.014 0.000 0.794 407 K CB 3.011 35.506 32.500 -0.008 0.000 1.188 407 K HN 0.181 nan 8.250 nan 0.000 0.428 408 R N 3.417 123.914 120.500 -0.005 0.000 2.388 408 R HA 0.286 4.626 4.340 -0.000 0.000 0.314 408 R C -0.755 175.461 176.300 -0.141 0.000 0.959 408 R CA -0.119 55.938 56.100 -0.073 0.000 0.851 408 R CB 0.984 31.303 30.300 0.031 0.000 1.168 408 R HN 0.677 nan 8.270 nan 0.000 0.472 409 Q N 0.000 119.650 119.800 -0.250 0.000 2.315 409 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 409 Q CA 0.000 55.699 55.803 -0.174 0.000 1.022 409 Q CB 0.000 28.662 28.738 -0.127 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481