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 3euc_1_B DATA FIRST_RESID 0 DATA SEQUENCE GXSVVDPSLI ERIIRDDVRA XGAYHVPDSH GLVKLDAXEN XYRLPPALRS DATA SEQUENCE ELAARLGEVX XXXXXXXSSE ALRAKLKEVX QVPAGXEVLL GNGSDEIISX DATA SEQUENCE LALAAARPGA KVXAPVPGFV XYAXSAQFAG LEFVGVPLRA DFTLDRGAXL DATA SEQUENCE AAXAEHQPAI VYLAYPNNPT GNLFDAADXE AIVRAAQGSV CRSLVVVDEA DATA SEQUENCE YQPFAQESWX SRLTDFGNLL VXRTVSKLGL AGIRLGYVAG DPQWLEQLDK DATA SEQUENCE VRPPYNVNVL TEATALFALE HVAVLDEQAA QLRAERSRVA EGXAAHGGVT DATA SEQUENCE VFPSAANFLL ARVPDAAQTF DRLLARKVLI KNVSKXHPLL ANCLRVTVST DATA SEQUENCE PEENAQFLEA FAASLQ 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 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 0 G C 0.000 174.900 174.900 0.000 0.000 0.946 0 G CA 0.000 45.100 45.100 0.000 0.000 0.502 3 V N -0.007 119.907 119.914 0.000 0.000 2.715 3 V HA 0.911 5.031 4.120 -0.000 0.000 0.310 3 V C 0.329 176.423 176.094 -0.000 0.000 1.054 3 V CA -1.005 61.295 62.300 0.000 0.000 0.928 3 V CB 1.568 33.391 31.823 0.000 0.000 1.007 3 V HN 0.188 nan 8.190 nan 0.000 0.437 4 V N 2.774 122.687 119.914 -0.000 0.000 2.673 4 V HA 0.123 4.242 4.120 -0.000 0.000 0.303 4 V C 0.370 176.464 176.094 -0.000 0.000 1.046 4 V CA 0.468 62.767 62.300 -0.000 0.000 1.126 4 V CB 0.791 32.613 31.823 -0.001 0.000 0.934 4 V HN 1.090 nan 8.190 nan 0.000 0.487 5 D N 7.419 127.818 120.400 -0.000 0.000 2.347 5 D HA 0.251 4.890 4.640 -0.000 0.000 0.235 5 D C -1.204 175.095 176.300 -0.001 0.000 1.149 5 D CA -2.210 51.789 54.000 -0.000 0.000 0.850 5 D CB 1.894 42.694 40.800 -0.000 0.000 1.061 5 D HN 0.260 nan 8.370 nan 0.000 0.487 6 P HA -0.116 nan 4.420 nan 0.000 0.223 6 P C 1.059 178.358 177.300 -0.001 0.000 1.151 6 P CA 0.597 63.696 63.100 -0.001 0.000 0.787 6 P CB 0.181 31.881 31.700 -0.001 0.000 0.788 7 S N -0.899 114.800 115.700 -0.001 0.000 2.453 7 S HA -0.067 4.402 4.470 -0.000 0.000 0.231 7 S C 1.904 176.503 174.600 -0.002 0.000 1.005 7 S CA 0.345 58.544 58.200 -0.002 0.000 0.949 7 S CB -1.306 61.894 63.200 -0.001 0.000 0.774 7 S HN 0.002 nan 8.310 nan 0.000 0.510 8 L N 1.509 122.731 121.223 -0.002 0.000 2.095 8 L HA 0.182 4.522 4.340 -0.000 0.000 0.204 8 L C 2.142 179.011 176.870 -0.002 0.000 1.080 8 L CA 1.263 56.102 54.840 -0.002 0.000 0.759 8 L CB -0.638 41.421 42.059 -0.001 0.000 0.914 8 L HN 0.208 nan 8.230 nan 0.000 0.439 9 I N -0.110 120.459 120.570 -0.002 0.000 2.163 9 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 9 I C 2.503 178.617 176.117 -0.004 0.000 1.085 9 I CA 1.590 62.888 61.300 -0.003 0.000 1.347 9 I CB -1.215 36.783 38.000 -0.003 0.000 1.044 9 I HN 0.491 nan 8.210 nan 0.000 0.408 10 E N 0.559 120.756 120.200 -0.004 0.000 2.077 10 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 10 E C 2.438 179.034 176.600 -0.005 0.000 0.989 10 E CA 0.940 57.337 56.400 -0.005 0.000 0.800 10 E CB 0.059 29.757 29.700 -0.004 0.000 0.746 10 E HN 0.138 nan 8.360 nan 0.000 0.452 11 R N 0.590 121.088 120.500 -0.004 0.000 2.075 11 R HA -0.076 4.264 4.340 -0.000 0.000 0.232 11 R C 2.071 178.368 176.300 -0.005 0.000 1.126 11 R CA 0.938 57.035 56.100 -0.004 0.000 0.963 11 R CB -0.278 30.020 30.300 -0.003 0.000 0.858 11 R HN 0.287 nan 8.270 nan 0.000 0.435 12 I N 0.799 121.366 120.570 -0.005 0.000 2.429 12 I HA -0.024 4.146 4.170 -0.000 0.000 0.247 12 I C 1.083 177.195 176.117 -0.008 0.000 1.099 12 I CA 0.216 61.513 61.300 -0.005 0.000 1.422 12 I CB -0.626 37.372 38.000 -0.003 0.000 1.112 12 I HN -0.110 nan 8.210 nan 0.000 0.430 13 I N 1.913 122.478 120.570 -0.009 0.000 2.575 13 I HA 0.092 4.261 4.170 -0.000 0.000 0.285 13 I C 0.924 177.031 176.117 -0.015 0.000 1.085 13 I CA -0.270 61.023 61.300 -0.012 0.000 1.403 13 I CB 0.039 38.032 38.000 -0.011 0.000 1.409 13 I HN 0.092 nan 8.210 nan 0.000 0.557 14 R N 2.980 123.467 120.500 -0.021 0.000 2.638 14 R HA -0.105 4.234 4.340 -0.000 0.000 0.268 14 R C 1.029 177.317 176.300 -0.021 0.000 1.006 14 R CA -0.004 56.081 56.100 -0.024 0.000 1.088 14 R CB 0.292 30.571 30.300 -0.034 0.000 0.950 14 R HN 0.529 nan 8.270 nan 0.000 0.419 15 D N 1.804 122.193 120.400 -0.019 0.000 2.123 15 D HA -0.208 4.432 4.640 -0.000 0.000 0.196 15 D C 1.271 177.561 176.300 -0.017 0.000 0.992 15 D CA 1.883 55.873 54.000 -0.016 0.000 0.833 15 D CB 0.075 40.866 40.800 -0.014 0.000 0.954 15 D HN 0.675 nan 8.370 nan 0.000 0.455 16 D N -0.151 120.235 120.400 -0.022 0.000 2.178 16 D HA -0.116 4.524 4.640 -0.000 0.000 0.202 16 D C 2.166 178.451 176.300 -0.025 0.000 0.974 16 D CA 0.580 54.565 54.000 -0.024 0.000 0.841 16 D CB -0.541 40.241 40.800 -0.030 0.000 0.953 16 D HN 0.231 nan 8.370 nan 0.000 0.478 17 V N 0.996 120.894 119.914 -0.028 0.000 2.307 17 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 17 V C 2.797 178.881 176.094 -0.017 0.000 1.045 17 V CA 1.770 64.055 62.300 -0.025 0.000 1.024 17 V CB -0.626 31.180 31.823 -0.029 0.000 0.651 17 V HN 0.087 nan 8.190 nan 0.000 0.449 18 R N 0.202 120.693 120.500 -0.014 0.000 2.096 18 R HA 0.020 4.360 4.340 -0.000 0.000 0.235 18 R C 1.336 177.633 176.300 -0.006 0.000 1.127 18 R CA 0.990 57.084 56.100 -0.009 0.000 0.968 18 R CB -0.420 29.875 30.300 -0.008 0.000 0.861 18 R HN 0.562 nan 8.270 nan 0.000 0.440 22 A N -0.518 122.352 122.820 0.083 0.000 2.483 22 A HA 0.572 4.892 4.320 -0.000 0.000 0.238 22 A C 0.744 178.333 177.584 0.009 0.000 1.070 22 A CA 0.675 52.721 52.037 0.015 0.000 0.770 22 A CB -0.430 18.539 19.000 -0.051 0.000 1.008 22 A HN 2.312 nan 8.150 nan 0.000 0.497 23 Y N 2.230 122.484 120.300 -0.076 0.000 2.587 23 Y HA 0.370 4.920 4.550 -0.000 0.000 0.344 23 Y C 0.314 176.120 175.900 -0.157 0.000 1.061 23 Y CA -0.017 58.049 58.100 -0.056 0.000 1.370 23 Y CB -0.566 37.866 38.460 -0.047 0.000 1.163 23 Y HN 0.791 nan 8.280 nan 0.000 0.527 24 H N 4.579 123.654 119.070 0.008 0.000 2.638 24 H HA 0.366 4.922 4.556 -0.000 0.000 0.303 24 H C -0.237 175.100 175.328 0.015 0.000 1.034 24 H CA -0.329 55.725 56.048 0.011 0.000 1.225 24 H CB 1.390 31.159 29.762 0.013 0.000 1.394 24 H HN 0.821 nan 8.280 nan 0.000 0.477 25 V N 3.690 123.654 119.914 0.083 0.000 2.425 25 V HA 0.152 4.272 4.120 -0.000 0.000 0.276 25 V C -1.869 174.275 176.094 0.082 0.000 1.017 25 V CA -1.239 61.100 62.300 0.064 0.000 1.062 25 V CB -0.322 31.522 31.823 0.034 0.000 0.997 25 V HN 0.525 nan 8.190 nan 0.000 0.476 26 P HA 0.318 nan 4.420 nan 0.000 0.285 26 P C -0.721 176.619 177.300 0.066 0.000 1.259 26 P CA -0.125 63.021 63.100 0.077 0.000 0.794 26 P CB 1.042 32.792 31.700 0.084 0.000 0.940 27 D N 0.887 121.325 120.400 0.064 0.000 2.348 27 D HA 0.005 4.645 4.640 -0.000 0.000 0.253 27 D C 0.370 176.717 176.300 0.078 0.000 1.161 27 D CA -0.465 53.578 54.000 0.070 0.000 0.876 27 D CB 0.706 41.546 40.800 0.067 0.000 1.160 27 D HN 0.274 nan 8.370 nan 0.000 0.459 28 S N 1.629 117.375 115.700 0.077 0.000 2.622 28 S HA -0.053 4.417 4.470 -0.000 0.000 0.236 28 S C 0.692 175.330 174.600 0.063 0.000 0.956 28 S CA -0.722 57.513 58.200 0.058 0.000 0.971 28 S CB -0.582 62.642 63.200 0.040 0.000 0.782 28 S HN 0.655 nan 8.310 nan 0.000 0.468 29 H N 1.343 120.418 119.070 0.009 0.000 2.803 29 H HA 0.349 4.904 4.556 -0.000 0.000 0.330 29 H C 1.499 176.829 175.328 0.003 0.000 1.057 29 H CA 1.787 57.838 56.048 0.006 0.000 1.458 29 H CB 0.552 30.318 29.762 0.006 0.000 1.470 29 H HN 0.500 nan 8.280 nan 0.000 0.560 30 G N 4.404 112.957 108.800 -0.412 0.000 2.205 30 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.261 30 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.261 30 G C 0.236 175.077 174.900 -0.097 0.000 0.980 30 G CA 0.387 45.352 45.100 -0.225 0.000 0.632 30 G HN 0.564 nan 8.290 nan 0.000 0.533 31 L N 0.926 122.109 121.223 -0.066 0.000 2.357 31 L HA 0.587 4.927 4.340 -0.000 0.000 0.273 31 L C 0.787 177.638 176.870 -0.033 0.000 1.080 31 L CA -1.202 53.617 54.840 -0.036 0.000 0.803 31 L CB 1.770 43.818 42.059 -0.019 0.000 1.174 31 L HN -0.089 nan 8.230 nan 0.000 0.443 32 V N 2.879 122.784 119.914 -0.014 0.000 2.405 32 V HA 0.085 4.205 4.120 -0.000 0.000 0.264 32 V C 0.243 176.336 176.094 -0.001 0.000 1.048 32 V CA -0.402 61.897 62.300 -0.002 0.000 0.966 32 V CB 0.372 32.209 31.823 0.024 0.000 1.015 32 V HN 0.622 nan 8.190 nan 0.000 0.477 33 K N 6.291 126.685 120.400 -0.009 0.000 2.250 33 K HA 0.487 4.807 4.320 -0.000 0.000 0.280 33 K C -0.223 176.365 176.600 -0.021 0.000 1.098 33 K CA -0.119 56.163 56.287 -0.009 0.000 0.916 33 K CB 0.676 33.173 32.500 -0.005 0.000 1.209 33 K HN 0.583 nan 8.250 nan 0.000 0.461 34 L N 3.275 124.478 121.223 -0.034 0.000 3.255 34 L HA 0.125 4.465 4.340 -0.000 0.000 0.293 34 L C 0.403 177.228 176.870 -0.075 0.000 1.302 34 L CA -0.140 54.653 54.840 -0.079 0.000 0.977 34 L CB 0.159 42.122 42.059 -0.160 0.000 1.390 34 L HN 0.647 nan 8.230 nan 0.000 0.588 35 D N -0.930 119.449 120.400 -0.035 0.000 2.469 35 D HA 0.188 4.828 4.640 -0.000 0.000 0.213 35 D C 0.505 176.775 176.300 -0.050 0.000 1.135 35 D CA 0.031 54.015 54.000 -0.028 0.000 0.834 35 D CB 0.932 41.751 40.800 0.030 0.000 1.009 35 D HN 0.167 nan 8.370 nan 0.000 0.507 42 R N -0.367 120.127 120.500 -0.009 0.000 3.423 42 R HA 0.022 4.362 4.340 -0.000 0.000 0.271 42 R C -0.004 176.291 176.300 -0.009 0.000 1.093 42 R CA 1.140 57.236 56.100 -0.008 0.000 0.730 42 R CB -3.042 27.256 30.300 -0.003 0.000 1.190 42 R HN 2.110 nan 8.270 nan 0.000 0.437 43 L N 1.735 122.949 121.223 -0.015 0.000 2.319 43 L HA 0.652 4.992 4.340 -0.000 0.000 0.280 43 L C -1.241 175.619 176.870 -0.018 0.000 1.099 43 L CA -2.036 52.794 54.840 -0.017 0.000 0.828 43 L CB 1.266 43.307 42.059 -0.030 0.000 1.150 43 L HN 0.481 nan 8.230 nan 0.000 0.442 44 P HA 0.223 nan 4.420 nan 0.000 0.272 44 P C -2.359 174.933 177.300 -0.014 0.000 1.230 44 P CA -1.211 61.884 63.100 -0.009 0.000 0.788 44 P CB -0.008 31.691 31.700 -0.002 0.000 0.949 45 P HA -0.219 nan 4.420 nan 0.000 0.215 45 P C 1.502 178.795 177.300 -0.011 0.000 1.157 45 P CA 2.289 65.381 63.100 -0.014 0.000 0.874 45 P CB -0.386 31.309 31.700 -0.009 0.000 0.790 46 A N -0.551 122.270 122.820 0.001 0.000 1.865 46 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 46 A C 2.272 179.871 177.584 0.026 0.000 1.191 46 A CA 1.669 53.715 52.037 0.015 0.000 0.623 46 A CB -1.658 17.356 19.000 0.023 0.000 0.826 46 A HN 0.114 nan 8.150 nan 0.000 0.444 47 L N -1.190 120.049 121.223 0.026 0.000 2.093 47 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 47 L C 2.939 179.776 176.870 -0.054 0.000 1.085 47 L CA 1.356 56.236 54.840 0.065 0.000 0.755 47 L CB -0.612 41.478 42.059 0.052 0.000 0.904 47 L HN 0.452 nan 8.230 nan 0.000 0.435 48 R N 0.257 120.710 120.500 -0.077 0.000 2.096 48 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 48 R C 2.684 178.904 176.300 -0.134 0.000 1.127 48 R CA 1.736 57.760 56.100 -0.127 0.000 0.968 48 R CB -0.924 29.328 30.300 -0.079 0.000 0.861 48 R HN 0.743 nan 8.270 nan 0.000 0.440 49 S N -0.201 115.453 115.700 -0.078 0.000 2.371 49 S HA -0.066 4.404 4.470 -0.000 0.000 0.224 49 S C 1.960 176.522 174.600 -0.063 0.000 1.029 49 S CA 1.320 59.483 58.200 -0.060 0.000 0.978 49 S CB -0.340 62.844 63.200 -0.026 0.000 0.833 49 S HN 0.715 nan 8.310 nan 0.000 0.466 50 E N 0.799 120.982 120.200 -0.029 0.000 2.085 50 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 50 E C 2.035 178.565 176.600 -0.116 0.000 0.994 50 E CA 1.292 57.718 56.400 0.044 0.000 0.801 50 E CB -0.317 29.528 29.700 0.241 0.000 0.743 50 E HN 0.430 nan 8.360 nan 0.000 0.453 51 L N 0.923 121.838 121.223 -0.513 0.000 2.056 51 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 51 L C 2.192 178.840 176.870 -0.370 0.000 1.078 51 L CA 2.001 56.324 54.840 -0.861 0.000 0.749 51 L CB -0.813 40.583 42.059 -1.104 0.000 0.901 51 L HN 0.037 nan 8.230 nan 0.000 0.433 52 A N -0.326 122.348 122.820 -0.242 0.000 1.908 52 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 52 A C 2.464 179.993 177.584 -0.092 0.000 1.181 52 A CA 2.108 54.062 52.037 -0.138 0.000 0.627 52 A CB -1.209 17.731 19.000 -0.101 0.000 0.818 52 A HN 0.603 nan 8.150 nan 0.000 0.445 53 A N -0.453 122.324 122.820 -0.073 0.000 1.858 53 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 53 A C 2.250 179.821 177.584 -0.021 0.000 1.190 53 A CA 1.556 53.575 52.037 -0.030 0.000 0.617 53 A CB -0.523 18.476 19.000 -0.000 0.000 0.827 53 A HN 0.417 nan 8.150 nan 0.000 0.443 54 R N -0.349 120.138 120.500 -0.023 0.000 2.096 54 R HA -0.125 4.215 4.340 -0.000 0.000 0.240 54 R C 2.096 178.386 176.300 -0.017 0.000 1.139 54 R CA 1.608 57.712 56.100 0.006 0.000 0.952 54 R CB -1.053 29.270 30.300 0.038 0.000 0.854 54 R HN 0.617 nan 8.270 nan 0.000 0.436 55 L N -0.665 120.523 121.223 -0.057 0.000 2.201 55 L HA -0.048 4.292 4.340 -0.000 0.000 0.212 55 L C 2.501 179.351 176.870 -0.033 0.000 1.105 55 L CA 1.151 55.962 54.840 -0.048 0.000 0.775 55 L CB -0.768 41.246 42.059 -0.074 0.000 0.913 55 L HN 0.312 nan 8.230 nan 0.000 0.440 56 G N -0.048 108.732 108.800 -0.034 0.000 2.404 56 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.215 56 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.215 56 G C 1.653 176.546 174.900 -0.013 0.000 1.174 56 G CA 1.120 46.206 45.100 -0.023 0.000 0.780 56 G HN 0.437 nan 8.290 nan 0.000 0.537 57 E N 0.292 120.488 120.200 -0.006 0.000 2.031 57 E HA 0.125 4.474 4.350 -0.000 0.000 0.193 57 E C 1.701 178.302 176.600 0.001 0.000 0.994 57 E CA 1.094 57.495 56.400 0.002 0.000 0.800 57 E CB -0.768 28.939 29.700 0.011 0.000 0.752 57 E HN 0.288 nan 8.360 nan 0.000 0.447 68 S N 2.227 117.948 115.700 0.035 0.000 2.399 68 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 68 S C 2.016 176.622 174.600 0.010 0.000 1.022 68 S CA 1.505 59.719 58.200 0.023 0.000 0.983 68 S CB -0.190 63.022 63.200 0.021 0.000 0.803 68 S HN 0.825 nan 8.310 nan 0.000 0.480 69 E N 1.720 121.926 120.200 0.010 0.000 2.031 69 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 69 E C 2.261 178.861 176.600 -0.000 0.000 0.994 69 E CA 1.230 57.632 56.400 0.005 0.000 0.800 69 E CB -0.845 28.859 29.700 0.007 0.000 0.752 69 E HN 0.627 nan 8.360 nan 0.000 0.447 70 A N 0.617 123.438 122.820 0.003 0.000 1.908 70 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 70 A C 2.493 180.070 177.584 -0.011 0.000 1.181 70 A CA 1.701 53.736 52.037 -0.002 0.000 0.627 70 A CB -0.767 18.236 19.000 0.005 0.000 0.818 70 A HN 0.526 nan 8.150 nan 0.000 0.445 71 L N -1.099 120.119 121.223 -0.009 0.000 2.044 71 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 71 L C 2.836 179.676 176.870 -0.049 0.000 1.075 71 L CA 1.314 56.140 54.840 -0.023 0.000 0.747 71 L CB -0.374 41.679 42.059 -0.010 0.000 0.903 71 L HN 0.389 nan 8.230 nan 0.000 0.435 72 R N -0.400 120.078 120.500 -0.037 0.000 2.105 72 R HA -0.183 4.156 4.340 -0.000 0.000 0.239 72 R C 2.232 178.506 176.300 -0.043 0.000 1.135 72 R CA 1.407 57.480 56.100 -0.045 0.000 0.967 72 R CB -0.409 29.881 30.300 -0.016 0.000 0.861 72 R HN 0.457 nan 8.270 nan 0.000 0.442 73 A N 1.146 123.949 122.820 -0.028 0.000 1.898 73 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 73 A C 2.060 179.624 177.584 -0.032 0.000 1.181 73 A CA 1.465 53.489 52.037 -0.023 0.000 0.620 73 A CB -0.247 18.745 19.000 -0.014 0.000 0.819 73 A HN 0.076 nan 8.150 nan 0.000 0.442 74 K N -0.119 120.257 120.400 -0.040 0.000 2.097 74 K HA 0.064 4.383 4.320 -0.000 0.000 0.205 74 K C 1.767 178.332 176.600 -0.060 0.000 1.050 74 K CA 1.020 57.280 56.287 -0.045 0.000 0.938 74 K CB -0.494 31.978 32.500 -0.047 0.000 0.718 74 K HN 0.455 nan 8.250 nan 0.000 0.442 75 L N 0.459 121.621 121.223 -0.101 0.000 2.012 75 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 75 L C 2.223 179.034 176.870 -0.098 0.000 1.073 75 L CA 1.681 56.418 54.840 -0.171 0.000 0.748 75 L CB -0.295 41.552 42.059 -0.353 0.000 0.891 75 L HN 0.190 nan 8.230 nan 0.000 0.431 76 K N -0.450 119.913 120.400 -0.061 0.000 2.057 76 K HA -0.260 4.060 4.320 -0.000 0.000 0.207 76 K C 1.972 178.574 176.600 0.003 0.000 1.049 76 K CA 1.759 58.039 56.287 -0.012 0.000 0.931 76 K CB -0.170 32.329 32.500 -0.001 0.000 0.714 76 K HN 0.335 nan 8.250 nan 0.000 0.440 77 E N 1.062 121.258 120.200 -0.006 0.000 2.017 77 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 77 E C 0.530 177.139 176.600 0.016 0.000 0.997 77 E CA 0.921 57.322 56.400 0.001 0.000 0.804 77 E CB 0.118 29.813 29.700 -0.009 0.000 0.757 77 E HN -0.054 nan 8.360 nan 0.000 0.448 81 V N 2.518 122.467 119.914 0.059 0.000 2.529 81 V HA 0.103 4.223 4.120 -0.000 0.000 0.292 81 V C -1.707 174.420 176.094 0.056 0.000 1.028 81 V CA -0.610 61.735 62.300 0.075 0.000 1.074 81 V CB -0.024 31.849 31.823 0.082 0.000 0.958 81 V HN 0.255 nan 8.190 nan 0.000 0.481 82 P HA 0.124 nan 4.420 nan 0.000 0.267 82 P C -0.146 177.178 177.300 0.039 0.000 1.201 82 P CA -0.026 63.099 63.100 0.043 0.000 0.775 82 P CB 0.373 32.101 31.700 0.046 0.000 0.854 83 A N 2.465 125.301 122.820 0.027 0.000 2.584 83 A HA 0.426 4.746 4.320 -0.000 0.000 0.239 83 A C 1.035 178.636 177.584 0.028 0.000 1.043 83 A CA 1.036 53.087 52.037 0.023 0.000 0.756 83 A CB -1.383 17.625 19.000 0.014 0.000 0.963 83 A HN 0.923 nan 8.150 nan 0.000 0.511 87 V N -0.710 119.258 119.914 0.090 0.000 2.604 87 V HA 0.792 4.912 4.120 -0.000 0.000 0.305 87 V C -0.865 175.293 176.094 0.106 0.000 1.043 87 V CA -0.846 61.528 62.300 0.123 0.000 0.888 87 V CB 1.563 33.442 31.823 0.093 0.000 0.995 87 V HN 0.631 nan 8.190 nan 0.000 0.429 88 L N 4.724 126.028 121.223 0.135 0.000 2.341 88 L HA 0.687 5.027 4.340 -0.000 0.000 0.278 88 L C -0.925 176.026 176.870 0.134 0.000 1.005 88 L CA -0.628 54.276 54.840 0.108 0.000 0.818 88 L CB 1.595 43.712 42.059 0.098 0.000 1.259 88 L HN 0.735 nan 8.230 nan 0.000 0.418 89 L N 4.431 125.715 121.223 0.102 0.000 2.360 89 L HA 0.862 5.202 4.340 -0.000 0.000 0.271 89 L C 0.394 177.318 176.870 0.089 0.000 1.057 89 L CA -0.476 54.430 54.840 0.110 0.000 0.803 89 L CB 1.551 43.654 42.059 0.075 0.000 1.207 89 L HN 0.782 nan 8.230 nan 0.000 0.445 90 G N 0.503 109.360 108.800 0.096 0.000 2.600 90 G HA2 0.227 4.187 3.960 -0.000 0.000 0.293 90 G HA3 0.227 4.187 3.960 -0.000 0.000 0.293 90 G C -1.465 173.473 174.900 0.064 0.000 1.408 90 G CA -0.692 44.451 45.100 0.070 0.000 0.782 90 G HN 0.452 nan 8.290 nan 0.000 0.482 91 N N 1.103 119.831 118.700 0.047 0.000 2.482 91 N HA 0.467 5.206 4.740 -0.000 0.000 0.242 91 N C 0.926 176.455 175.510 0.032 0.000 1.100 91 N CA 1.001 54.073 53.050 0.037 0.000 0.946 91 N CB 0.742 39.245 38.487 0.026 0.000 1.227 91 N HN 1.384 nan 8.380 nan 0.000 0.508 92 G N 1.552 110.371 108.800 0.031 0.000 2.749 92 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.242 92 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.242 92 G C 1.016 175.922 174.900 0.010 0.000 1.364 92 G CA 0.150 45.256 45.100 0.011 0.000 0.888 92 G HN 0.496 nan 8.290 nan 0.000 0.566 93 S N -0.758 114.930 115.700 -0.020 0.000 2.402 93 S HA -0.092 4.377 4.470 -0.000 0.000 0.229 93 S C 1.628 176.277 174.600 0.081 0.000 1.021 93 S CA 1.901 60.105 58.200 0.007 0.000 0.974 93 S CB -0.223 62.946 63.200 -0.051 0.000 0.800 93 S HN 0.666 nan 8.310 nan 0.000 0.484 94 D N 1.824 122.281 120.400 0.095 0.000 2.126 94 D HA -0.167 4.473 4.640 -0.000 0.000 0.190 94 D C 1.939 178.262 176.300 0.039 0.000 1.001 94 D CA 1.663 55.714 54.000 0.085 0.000 0.841 94 D CB -0.531 40.307 40.800 0.064 0.000 0.949 94 D HN 0.642 nan 8.370 nan 0.000 0.446 95 E N -0.045 120.174 120.200 0.031 0.000 2.110 95 E HA -0.133 4.216 4.350 -0.000 0.000 0.193 95 E C 2.351 178.977 176.600 0.044 0.000 0.988 95 E CA 0.505 56.919 56.400 0.024 0.000 0.804 95 E CB -0.052 29.663 29.700 0.026 0.000 0.745 95 E HN 0.279 nan 8.360 nan 0.000 0.458 96 I N 0.681 121.288 120.570 0.061 0.000 2.252 96 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 96 I C 2.337 178.520 176.117 0.110 0.000 1.102 96 I CA 0.865 62.211 61.300 0.078 0.000 1.385 96 I CB -0.210 37.833 38.000 0.071 0.000 1.064 96 I HN 0.169 nan 8.210 nan 0.000 0.414 97 I N 0.022 120.668 120.570 0.127 0.000 2.226 97 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 97 I C 1.644 177.841 176.117 0.133 0.000 1.100 97 I CA 0.679 62.082 61.300 0.172 0.000 1.374 97 I CB -0.338 37.720 38.000 0.097 0.000 1.057 97 I HN 0.143 nan 8.210 nan 0.000 0.413 101 A N 0.365 123.255 122.820 0.117 0.000 1.908 101 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 101 A C 1.960 179.596 177.584 0.086 0.000 1.181 101 A CA 2.241 54.346 52.037 0.113 0.000 0.627 101 A CB -0.451 18.630 19.000 0.134 0.000 0.818 101 A HN 0.306 nan 8.150 nan 0.000 0.445 102 L N -0.316 120.952 121.223 0.077 0.000 2.027 102 L HA -0.000 4.340 4.340 -0.000 0.000 0.206 102 L C 2.715 179.622 176.870 0.062 0.000 1.074 102 L CA 2.199 57.078 54.840 0.065 0.000 0.745 102 L CB -0.929 41.163 42.059 0.055 0.000 0.898 102 L HN 0.337 nan 8.230 nan 0.000 0.433 103 A N -0.638 122.221 122.820 0.065 0.000 1.940 103 A HA -0.046 4.273 4.320 -0.000 0.000 0.219 103 A C 2.129 179.758 177.584 0.075 0.000 1.176 103 A CA 1.656 53.736 52.037 0.071 0.000 0.631 103 A CB -0.963 18.088 19.000 0.084 0.000 0.814 103 A HN 0.540 nan 8.150 nan 0.000 0.446 104 A N -1.039 121.822 122.820 0.069 0.000 2.379 104 A HA 0.604 4.923 4.320 -0.000 0.000 0.236 104 A C 1.247 178.865 177.584 0.057 0.000 1.272 104 A CA 0.585 52.660 52.037 0.064 0.000 0.886 104 A CB -0.555 18.471 19.000 0.043 0.000 0.962 104 A HN 0.931 nan 8.150 nan 0.000 0.504 105 A N 1.051 123.905 122.820 0.058 0.000 3.029 105 A HA 0.344 4.664 4.320 -0.000 0.000 0.251 105 A C 0.731 178.342 177.584 0.046 0.000 1.749 105 A CA -0.352 51.718 52.037 0.054 0.000 1.386 105 A CB -0.624 18.410 19.000 0.057 0.000 1.043 105 A HN 0.571 nan 8.150 nan 0.000 0.638 106 R N 0.501 121.027 120.500 0.043 0.000 2.577 106 R HA 0.374 4.714 4.340 -0.000 0.000 0.269 106 R C -2.584 173.735 176.300 0.033 0.000 1.084 106 R CA -1.833 54.289 56.100 0.037 0.000 1.163 106 R CB -0.128 30.194 30.300 0.036 0.000 1.100 106 R HN 0.163 nan 8.270 nan 0.000 0.547 107 P HA 0.039 nan 4.420 nan 0.000 0.267 107 P C 0.405 177.720 177.300 0.024 0.000 1.209 107 P CA 0.666 63.781 63.100 0.025 0.000 0.763 107 P CB 0.636 32.349 31.700 0.021 0.000 0.816 108 G N 2.367 111.182 108.800 0.025 0.000 2.199 108 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.254 108 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.254 108 G C 0.442 175.357 174.900 0.025 0.000 0.982 108 G CA -0.056 45.059 45.100 0.024 0.000 0.632 108 G HN 0.857 nan 8.290 nan 0.000 0.529 109 A N 0.567 123.404 122.820 0.028 0.000 2.524 109 A HA 0.544 4.864 4.320 -0.000 0.000 0.250 109 A C 0.598 178.199 177.584 0.029 0.000 1.078 109 A CA 0.772 52.826 52.037 0.028 0.000 0.761 109 A CB 0.187 19.209 19.000 0.035 0.000 1.012 109 A HN 0.518 nan 8.150 nan 0.000 0.500 110 K N 2.165 122.574 120.400 0.015 0.000 2.259 110 K HA 0.631 4.951 4.320 -0.000 0.000 0.252 110 K C -0.754 175.846 176.600 0.001 0.000 0.936 110 K CA -0.793 55.496 56.287 0.004 0.000 0.810 110 K CB 2.118 34.597 32.500 -0.034 0.000 1.143 110 K HN 0.391 nan 8.250 nan 0.000 0.427 114 P HA 0.433 nan 4.420 nan 0.000 0.271 114 P C -0.348 177.025 177.300 0.121 0.000 1.216 114 P CA -0.084 63.020 63.100 0.007 0.000 0.776 114 P CB 0.929 32.549 31.700 -0.134 0.000 0.881 115 V N -0.192 119.745 119.914 0.038 0.000 2.735 115 V HA 0.688 4.808 4.120 -0.000 0.000 0.310 115 V C -2.662 173.242 176.094 -0.317 0.000 1.061 115 V CA -3.157 59.112 62.300 -0.052 0.000 0.913 115 V CB 1.911 33.751 31.823 0.029 0.000 1.005 115 V HN 0.348 nan 8.190 nan 0.000 0.428 116 P HA 0.451 nan 4.420 nan 0.000 0.271 116 P C 0.015 177.300 177.300 -0.026 0.000 1.216 116 P CA 0.695 63.663 63.100 -0.221 0.000 0.771 116 P CB 1.384 32.965 31.700 -0.198 0.000 0.864 117 G N 2.310 111.132 108.800 0.036 0.000 2.766 117 G HA2 0.427 4.387 3.960 -0.000 0.000 0.288 117 G HA3 0.427 4.387 3.960 -0.000 0.000 0.288 117 G C -1.444 173.440 174.900 -0.026 0.000 1.408 117 G CA -0.706 44.478 45.100 0.140 0.000 0.852 117 G HN 0.353 nan 8.290 nan 0.000 0.487 118 F N 1.419 121.147 119.950 -0.370 0.000 2.602 118 F HA 0.322 4.849 4.527 -0.000 0.000 0.385 118 F C 1.129 176.538 175.800 -0.653 0.000 1.063 118 F CA -0.466 57.168 58.000 -0.610 0.000 1.233 118 F CB 0.500 39.059 39.000 -0.734 0.000 1.067 118 F HN 0.291 nan 8.300 nan 0.000 0.564 125 A N 1.950 124.832 122.820 0.104 0.000 1.902 125 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 125 A C 2.233 179.862 177.584 0.075 0.000 1.181 125 A CA 1.948 54.059 52.037 0.124 0.000 0.623 125 A CB -1.010 18.107 19.000 0.195 0.000 0.818 125 A HN 0.677 nan 8.150 nan 0.000 0.443 126 Q N -1.641 118.164 119.800 0.009 0.000 2.084 126 Q HA -0.157 4.182 4.340 -0.000 0.000 0.202 126 Q C 1.707 177.648 176.000 -0.099 0.000 0.978 126 Q CA 1.655 57.408 55.803 -0.085 0.000 0.844 126 Q CB -0.204 28.409 28.738 -0.209 0.000 0.898 126 Q HN 0.638 nan 8.270 nan 0.000 0.426 127 F N -0.215 119.718 119.950 -0.029 0.000 2.293 127 F HA -0.064 4.462 4.527 -0.000 0.000 0.300 127 F C 2.046 177.844 175.800 -0.002 0.000 1.086 127 F CA 1.090 59.078 58.000 -0.020 0.000 1.375 127 F CB -0.090 38.892 39.000 -0.030 0.000 1.045 127 F HN 0.147 nan 8.300 nan 0.000 0.516 128 A N -0.597 122.327 122.820 0.174 0.000 2.275 128 A HA 0.440 4.759 4.320 -0.000 0.000 0.212 128 A C 1.837 179.466 177.584 0.075 0.000 1.201 128 A CA 0.617 52.722 52.037 0.115 0.000 0.843 128 A CB -1.033 18.032 19.000 0.107 0.000 0.873 128 A HN 0.517 nan 8.150 nan 0.000 0.492 129 G N -0.596 108.236 108.800 0.052 0.000 2.221 129 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.265 129 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.265 129 G C -0.078 174.844 174.900 0.038 0.000 1.041 129 G CA 0.547 45.664 45.100 0.029 0.000 0.807 129 G HN 0.475 nan 8.290 nan 0.000 0.502 130 L N -0.428 120.828 121.223 0.055 0.000 2.331 130 L HA 0.566 4.906 4.340 -0.000 0.000 0.275 130 L C 0.763 177.679 176.870 0.076 0.000 1.022 130 L CA -1.002 53.877 54.840 0.065 0.000 0.812 130 L CB 1.669 43.779 42.059 0.085 0.000 1.257 130 L HN 0.296 nan 8.230 nan 0.000 0.435 131 E N 1.523 121.761 120.200 0.064 0.000 2.373 131 E HA 0.139 4.489 4.350 -0.000 0.000 0.267 131 E C -1.607 175.064 176.600 0.118 0.000 1.032 131 E CA -0.371 56.069 56.400 0.066 0.000 0.889 131 E CB 0.946 30.657 29.700 0.018 0.000 0.984 131 E HN 0.352 nan 8.360 nan 0.000 0.425 132 F N 4.490 124.424 119.950 -0.027 0.000 2.458 132 F HA 0.397 4.924 4.527 -0.000 0.000 0.336 132 F C -1.288 174.473 175.800 -0.064 0.000 1.114 132 F CA -0.771 57.216 58.000 -0.021 0.000 0.987 132 F CB 1.339 40.341 39.000 0.002 0.000 1.130 132 F HN 0.148 nan 8.300 nan 0.000 0.458 133 V N 5.890 125.234 119.914 -0.950 0.000 2.326 133 V HA 0.511 4.630 4.120 -0.000 0.000 0.281 133 V C 0.392 175.868 176.094 -1.030 0.000 1.015 133 V CA -0.687 61.139 62.300 -0.791 0.000 0.823 133 V CB 0.951 32.387 31.823 -0.645 0.000 1.009 133 V HN 0.998 nan 8.190 nan 0.000 0.436 134 G N 3.520 111.926 108.800 -0.655 0.000 2.353 134 G HA2 0.527 4.487 3.960 -0.000 0.000 0.284 134 G HA3 0.527 4.487 3.960 -0.000 0.000 0.284 134 G C -0.724 174.107 174.900 -0.115 0.000 1.172 134 G CA -0.285 44.677 45.100 -0.230 0.000 0.854 134 G HN 0.521 nan 8.290 nan 0.000 0.485 135 V N 5.524 125.393 119.914 -0.076 0.000 2.378 135 V HA 0.328 4.447 4.120 -0.000 0.000 0.288 135 V C -1.902 174.186 176.094 -0.009 0.000 1.016 135 V CA -1.603 60.671 62.300 -0.044 0.000 0.840 135 V CB 1.941 33.718 31.823 -0.076 0.000 0.994 135 V HN 0.672 nan 8.190 nan 0.000 0.431 136 P HA 0.170 nan 4.420 nan 0.000 0.268 136 P C -0.126 177.174 177.300 -0.002 0.000 1.205 136 P CA 0.002 63.130 63.100 0.047 0.000 0.771 136 P CB 0.946 32.721 31.700 0.125 0.000 0.858 137 L N 2.757 123.976 121.223 -0.006 0.000 2.475 137 L HA 0.216 4.556 4.340 -0.000 0.000 0.250 137 L C 1.756 178.633 176.870 0.011 0.000 1.224 137 L CA -0.451 54.392 54.840 0.005 0.000 0.821 137 L CB -0.028 42.096 42.059 0.109 0.000 1.141 137 L HN 0.338 nan 8.230 nan 0.000 0.494 138 R N -0.038 120.459 120.500 -0.005 0.000 2.649 138 R HA 0.191 4.530 4.340 -0.000 0.000 0.270 138 R C 1.078 177.301 176.300 -0.128 0.000 1.105 138 R CA 0.087 56.164 56.100 -0.038 0.000 1.193 138 R CB 0.262 30.546 30.300 -0.027 0.000 1.120 138 R HN 0.779 nan 8.270 nan 0.000 0.561 139 A N 1.362 124.088 122.820 -0.157 0.000 1.978 139 A HA -0.201 4.118 4.320 -0.000 0.000 0.220 139 A C 1.298 178.522 177.584 -0.600 0.000 1.170 139 A CA 2.051 53.909 52.037 -0.298 0.000 0.636 139 A CB -0.519 18.392 19.000 -0.148 0.000 0.810 139 A HN 0.844 nan 8.150 nan 0.000 0.448 140 D N -2.787 117.402 120.400 -0.351 0.000 2.328 140 D HA 0.074 4.714 4.640 -0.000 0.000 0.226 140 D C 0.162 176.341 176.300 -0.202 0.000 1.066 140 D CA -0.078 53.765 54.000 -0.262 0.000 0.861 140 D CB -0.691 40.115 40.800 0.011 0.000 0.912 140 D HN 0.372 nan 8.370 nan 0.000 0.521 141 F N -0.338 119.612 119.950 0.000 0.000 2.884 141 F HA -0.240 4.287 4.527 -0.000 0.000 0.294 141 F C 0.569 176.456 175.800 0.145 0.000 0.723 141 F CA 0.686 58.700 58.000 0.024 0.000 1.294 141 F CB -2.986 35.979 39.000 -0.058 0.000 1.551 141 F HN 0.123 nan 8.300 nan 0.000 0.363 142 T N -1.242 113.444 114.554 0.220 0.000 2.909 142 T HA 0.568 4.918 4.350 -0.000 0.000 0.289 142 T C 0.038 174.785 174.700 0.079 0.000 1.005 142 T CA -0.926 61.303 62.100 0.215 0.000 1.084 142 T CB 2.114 71.067 68.868 0.142 0.000 0.975 142 T HN 0.263 nan 8.240 nan 0.000 0.509 143 L N 2.127 123.339 121.223 -0.018 0.000 2.416 143 L HA 0.331 4.670 4.340 -0.000 0.000 0.272 143 L C 0.056 176.850 176.870 -0.127 0.000 1.161 143 L CA 0.233 54.899 54.840 -0.289 0.000 0.845 143 L CB 0.334 42.088 42.059 -0.509 0.000 1.119 143 L HN 0.779 nan 8.230 nan 0.000 0.464 144 D N 4.492 124.813 120.400 -0.132 0.000 2.467 144 D HA 0.150 4.789 4.640 -0.000 0.000 0.220 144 D C 1.031 177.284 176.300 -0.079 0.000 1.103 144 D CA -0.180 53.777 54.000 -0.072 0.000 0.886 144 D CB 0.604 41.372 40.800 -0.053 0.000 1.025 144 D HN 0.613 nan 8.370 nan 0.000 0.514 145 R N 2.431 122.895 120.500 -0.059 0.000 2.083 145 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 145 R C 1.805 178.078 176.300 -0.045 0.000 1.137 145 R CA 1.801 57.868 56.100 -0.054 0.000 0.951 145 R CB -0.364 29.919 30.300 -0.027 0.000 0.851 145 R HN 0.505 nan 8.270 nan 0.000 0.434 146 G N 0.547 109.328 108.800 -0.031 0.000 2.440 146 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 146 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 146 G C 0.674 175.556 174.900 -0.030 0.000 1.154 146 G CA 0.805 45.890 45.100 -0.025 0.000 0.767 146 G HN 0.580 nan 8.290 nan 0.000 0.552 150 A N 1.166 123.965 122.820 -0.035 0.000 1.898 150 A HA 0.315 4.634 4.320 -0.000 0.000 0.216 150 A C 1.492 179.048 177.584 -0.046 0.000 1.181 150 A CA 1.401 53.414 52.037 -0.040 0.000 0.620 150 A CB -0.492 18.488 19.000 -0.034 0.000 0.819 150 A HN 0.377 nan 8.150 nan 0.000 0.442 154 E N -0.152 119.949 120.200 -0.165 0.000 2.028 154 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 154 E C 1.516 177.926 176.600 -0.317 0.000 0.988 154 E CA 1.332 57.548 56.400 -0.307 0.000 0.799 154 E CB -0.148 29.232 29.700 -0.534 0.000 0.755 154 E HN 0.744 nan 8.360 nan 0.000 0.447 155 H N -0.192 118.851 119.070 -0.045 0.000 2.525 155 H HA 0.099 4.654 4.556 -0.000 0.000 0.275 155 H C 0.241 175.543 175.328 -0.043 0.000 0.984 155 H CA 0.644 56.664 56.048 -0.047 0.000 1.264 155 H CB 0.445 30.167 29.762 -0.066 0.000 1.432 155 H HN 0.183 nan 8.280 nan 0.000 0.549 156 Q N 0.657 120.488 119.800 0.051 0.000 2.454 156 Q HA -0.114 4.226 4.340 -0.000 0.000 0.341 156 Q C -2.310 173.700 176.000 0.017 0.000 1.437 156 Q CA 0.258 56.072 55.803 0.019 0.000 0.935 156 Q CB -1.470 27.273 28.738 0.009 0.000 1.164 156 Q HN 0.503 nan 8.270 nan 0.000 0.373 157 P HA 0.215 nan 4.420 nan 0.000 0.274 157 P C 0.242 177.520 177.300 -0.036 0.000 1.237 157 P CA 0.258 63.340 63.100 -0.029 0.000 0.793 157 P CB 0.933 32.592 31.700 -0.069 0.000 0.977 158 A N 2.120 124.917 122.820 -0.037 0.000 1.956 158 A HA 0.211 4.531 4.320 -0.000 0.000 0.212 158 A C 1.169 178.696 177.584 -0.096 0.000 1.188 158 A CA 0.778 52.794 52.037 -0.036 0.000 0.675 158 A CB -0.291 18.705 19.000 -0.006 0.000 0.845 158 A HN 0.534 nan 8.150 nan 0.000 0.455 159 I N 0.208 120.699 120.570 -0.133 0.000 2.608 159 I HA 0.448 4.618 4.170 -0.000 0.000 0.295 159 I C -1.473 174.476 176.117 -0.280 0.000 1.049 159 I CA -0.921 60.222 61.300 -0.260 0.000 1.063 159 I CB 2.465 40.285 38.000 -0.300 0.000 1.248 159 I HN -0.154 nan 8.210 nan 0.000 0.424 160 V N 5.670 125.355 119.914 -0.382 0.000 2.483 160 V HA 0.347 4.467 4.120 -0.000 0.000 0.297 160 V C -1.135 174.682 176.094 -0.460 0.000 1.027 160 V CA -0.683 61.423 62.300 -0.324 0.000 0.855 160 V CB 1.509 33.186 31.823 -0.242 0.000 0.995 160 V HN 0.406 nan 8.190 nan 0.000 0.424 161 Y N 5.055 125.182 120.300 -0.288 0.000 2.326 161 Y HA 0.598 5.148 4.550 -0.000 0.000 0.337 161 Y C 0.183 175.909 175.900 -0.290 0.000 1.023 161 Y CA -0.636 57.214 58.100 -0.417 0.000 1.143 161 Y CB 1.389 39.272 38.460 -0.962 0.000 1.183 161 Y HN 0.437 nan 8.280 nan 0.000 0.485 162 L N 4.385 125.571 121.223 -0.061 0.000 2.366 162 L HA 0.585 4.924 4.340 -0.000 0.000 0.266 162 L C 0.059 177.009 176.870 0.133 0.000 1.010 162 L CA -0.872 53.995 54.840 0.045 0.000 0.879 162 L CB 0.838 42.810 42.059 -0.144 0.000 1.228 162 L HN 0.699 nan 8.230 nan 0.000 0.439 163 A N 2.605 125.603 122.820 0.296 0.000 2.407 163 A HA 0.384 4.704 4.320 -0.000 0.000 0.248 163 A C -1.045 176.619 177.584 0.133 0.000 1.082 163 A CA 0.247 52.434 52.037 0.251 0.000 0.785 163 A CB 0.234 19.439 19.000 0.341 0.000 1.020 163 A HN 0.622 nan 8.150 nan 0.000 0.489 164 Y N 3.188 123.472 120.300 -0.026 0.000 2.489 164 Y HA 0.343 4.892 4.550 -0.000 0.000 0.339 164 Y C -2.688 173.221 175.900 0.015 0.000 1.135 164 Y CA -1.881 56.192 58.100 -0.044 0.000 1.321 164 Y CB 1.724 40.210 38.460 0.043 0.000 1.098 164 Y HN 0.561 nan 8.280 nan 0.000 0.590 165 P HA 0.192 nan 4.420 nan 0.000 0.281 165 P C -0.713 176.508 177.300 -0.132 0.000 1.264 165 P CA -0.442 62.491 63.100 -0.278 0.000 0.824 165 P CB 1.506 33.031 31.700 -0.292 0.000 1.092 166 N N 1.197 119.723 118.700 -0.291 0.000 2.530 166 N HA 0.092 4.831 4.740 -0.000 0.000 0.273 166 N C -0.279 175.176 175.510 -0.092 0.000 1.173 166 N CA -0.111 52.846 53.050 -0.154 0.000 0.967 166 N CB -0.030 38.320 38.487 -0.228 0.000 1.109 166 N HN 0.291 nan 8.380 nan 0.000 0.453 167 N N 2.893 121.465 118.700 -0.213 0.000 2.424 167 N HA 0.396 5.135 4.740 -0.000 0.000 0.271 167 N C -2.319 173.015 175.510 -0.294 0.000 0.985 167 N CA -2.137 50.629 53.050 -0.473 0.000 0.921 167 N CB 1.678 39.450 38.487 -1.191 0.000 1.149 167 N HN 0.415 nan 8.380 nan 0.000 0.492 168 P HA 0.115 nan 4.420 nan 0.000 0.267 168 P C 0.639 177.817 177.300 -0.204 0.000 1.289 168 P CA 0.277 63.135 63.100 -0.404 0.000 0.866 168 P CB 0.189 31.660 31.700 -0.382 0.000 1.309 169 T N -4.485 109.921 114.554 -0.248 0.000 2.985 169 T HA 0.178 4.528 4.350 -0.000 0.000 0.266 169 T C 1.772 176.419 174.700 -0.089 0.000 1.076 169 T CA 1.400 63.274 62.100 -0.376 0.000 1.135 169 T CB -1.011 67.529 68.868 -0.546 0.000 0.890 169 T HN 0.195 nan 8.240 nan 0.000 0.480 170 G N 2.443 111.244 108.800 0.002 0.000 2.268 170 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.240 170 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.240 170 G C 0.098 174.877 174.900 -0.202 0.000 1.010 170 G CA 0.095 45.109 45.100 -0.144 0.000 0.618 170 G HN 1.004 nan 8.290 nan 0.000 0.516 171 N N 1.016 119.633 118.700 -0.138 0.000 2.513 171 N HA 0.459 5.199 4.740 -0.000 0.000 0.274 171 N C 0.018 175.347 175.510 -0.303 0.000 1.189 171 N CA -0.422 52.548 53.050 -0.134 0.000 0.975 171 N CB 1.119 39.623 38.487 0.027 0.000 1.157 171 N HN 0.332 nan 8.380 nan 0.000 0.465 172 L N 1.549 122.617 121.223 -0.258 0.000 2.265 172 L HA 0.309 4.649 4.340 -0.000 0.000 0.288 172 L C 0.003 176.875 176.870 0.002 0.000 1.058 172 L CA -0.846 53.783 54.840 -0.352 0.000 0.809 172 L CB 0.069 41.870 42.059 -0.430 0.000 1.179 172 L HN 0.366 nan 8.230 nan 0.000 0.429 173 F N 0.748 120.837 119.950 0.231 0.000 2.490 173 F HA 0.001 4.527 4.527 -0.000 0.000 0.336 173 F C 1.004 176.984 175.800 0.300 0.000 1.178 173 F CA -0.899 57.244 58.000 0.238 0.000 1.301 173 F CB -0.026 39.096 39.000 0.204 0.000 1.175 173 F HN 0.484 nan 8.300 nan 0.000 0.593 174 D N 0.872 121.520 120.400 0.415 0.000 2.472 174 D HA 0.229 4.868 4.640 -0.000 0.000 0.248 174 D C 0.867 177.359 176.300 0.319 0.000 1.174 174 D CA 0.406 54.581 54.000 0.292 0.000 0.883 174 D CB 0.894 41.807 40.800 0.188 0.000 1.149 174 D HN 0.594 nan 8.370 nan 0.000 0.488 175 A N 4.194 127.209 122.820 0.325 0.000 1.902 175 A HA -0.092 4.227 4.320 -0.000 0.000 0.217 175 A C 2.194 179.950 177.584 0.287 0.000 1.181 175 A CA 1.777 54.029 52.037 0.358 0.000 0.623 175 A CB -0.881 18.230 19.000 0.186 0.000 0.818 175 A HN 0.721 nan 8.150 nan 0.000 0.443 176 A N -0.114 122.816 122.820 0.182 0.000 1.902 176 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 176 A C 1.052 178.705 177.584 0.116 0.000 1.181 176 A CA 1.223 53.342 52.037 0.137 0.000 0.623 176 A CB -0.526 18.532 19.000 0.097 0.000 0.818 176 A HN 0.488 nan 8.150 nan 0.000 0.443 180 A N 1.601 124.428 122.820 0.013 0.000 1.902 180 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 180 A C 2.153 179.709 177.584 -0.046 0.000 1.181 180 A CA 1.367 53.407 52.037 0.005 0.000 0.623 180 A CB -0.604 18.404 19.000 0.014 0.000 0.818 180 A HN 0.196 nan 8.150 nan 0.000 0.443 181 I N -0.499 120.015 120.570 -0.093 0.000 2.179 181 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 181 I C 2.376 178.393 176.117 -0.167 0.000 1.088 181 I CA 1.215 62.437 61.300 -0.131 0.000 1.357 181 I CB -0.330 37.572 38.000 -0.163 0.000 1.051 181 I HN 0.163 nan 8.210 nan 0.000 0.409 182 V N 0.803 120.562 119.914 -0.259 0.000 2.295 182 V HA -0.288 3.831 4.120 -0.000 0.000 0.246 182 V C 2.546 178.545 176.094 -0.159 0.000 1.049 182 V CA 1.915 64.018 62.300 -0.328 0.000 1.024 182 V CB -0.806 30.597 31.823 -0.700 0.000 0.648 182 V HN 0.369 nan 8.190 nan 0.000 0.447 183 R N 0.148 120.603 120.500 -0.075 0.000 2.096 183 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 183 R C 2.420 178.738 176.300 0.029 0.000 1.127 183 R CA 1.427 57.568 56.100 0.067 0.000 0.968 183 R CB -0.615 29.763 30.300 0.129 0.000 0.861 183 R HN 0.539 nan 8.270 nan 0.000 0.440 184 A N 1.230 124.044 122.820 -0.010 0.000 1.972 184 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 184 A C 2.213 179.786 177.584 -0.018 0.000 1.169 184 A CA 1.546 53.575 52.037 -0.013 0.000 0.635 184 A CB -0.404 18.579 19.000 -0.029 0.000 0.810 184 A HN 0.382 nan 8.150 nan 0.000 0.446 185 A N -0.907 121.890 122.820 -0.037 0.000 2.235 185 A HA 0.002 4.321 4.320 -0.000 0.000 0.208 185 A C 1.795 179.381 177.584 0.004 0.000 1.172 185 A CA 0.946 52.961 52.037 -0.036 0.000 0.786 185 A CB -0.379 18.572 19.000 -0.082 0.000 0.804 185 A HN 0.666 nan 8.150 nan 0.000 0.479 186 Q N -1.642 118.175 119.800 0.029 0.000 2.451 186 Q HA 0.219 4.559 4.340 -0.000 0.000 0.206 186 Q C 1.318 177.346 176.000 0.047 0.000 0.947 186 Q CA 0.626 56.465 55.803 0.061 0.000 0.937 186 Q CB 0.230 29.021 28.738 0.089 0.000 1.025 186 Q HN 0.746 nan 8.270 nan 0.000 0.511 187 G N -0.232 108.585 108.800 0.029 0.000 3.382 187 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.214 187 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.214 187 G C 1.070 175.978 174.900 0.013 0.000 1.025 187 G CA 0.262 45.375 45.100 0.022 0.000 0.869 187 G HN 0.311 nan 8.290 nan 0.000 0.458 188 S N 0.381 116.089 115.700 0.014 0.000 2.368 188 S HA 0.039 4.509 4.470 -0.000 0.000 0.225 188 S C 2.113 176.712 174.600 -0.001 0.000 1.030 188 S CA 2.330 60.535 58.200 0.008 0.000 0.999 188 S CB -0.223 62.984 63.200 0.013 0.000 0.844 188 S HN 0.704 nan 8.310 nan 0.000 0.459 189 V N 0.627 120.538 119.914 -0.006 0.000 2.806 189 V HA 0.279 4.399 4.120 -0.000 0.000 0.239 189 V C 1.369 177.453 176.094 -0.016 0.000 1.113 189 V CA 0.596 62.887 62.300 -0.015 0.000 1.137 189 V CB 0.015 31.825 31.823 -0.022 0.000 0.865 189 V HN 0.952 nan 8.190 nan 0.000 0.482 190 C N -0.576 118.716 119.300 -0.014 0.000 3.292 190 C HA 0.722 5.181 4.460 -0.000 0.000 0.369 190 C C -0.739 174.250 174.990 -0.003 0.000 1.664 190 C CA -1.192 57.819 59.018 -0.011 0.000 1.204 190 C CB 1.662 29.390 27.740 -0.020 0.000 1.978 190 C HN 0.339 nan 8.230 nan 0.000 0.435 191 R N 1.224 121.725 120.500 0.002 0.000 2.415 191 R HA 0.675 5.015 4.340 -0.000 0.000 0.292 191 R C -1.013 175.297 176.300 0.016 0.000 1.295 191 R CA 0.197 56.309 56.100 0.020 0.000 1.137 191 R CB 1.678 31.995 30.300 0.030 0.000 1.135 191 R HN 0.842 nan 8.270 nan 0.000 0.560 192 S N 1.642 117.339 115.700 -0.004 0.000 2.569 192 S HA 0.389 4.859 4.470 -0.000 0.000 0.280 192 S C -1.260 173.290 174.600 -0.083 0.000 1.111 192 S CA -0.808 57.363 58.200 -0.048 0.000 0.887 192 S CB 2.106 65.248 63.200 -0.096 0.000 1.095 192 S HN 0.333 nan 8.310 nan 0.000 0.476 193 L N 2.879 123.994 121.223 -0.180 0.000 2.319 193 L HA 0.579 4.919 4.340 -0.000 0.000 0.280 193 L C -1.054 175.587 176.870 -0.380 0.000 1.099 193 L CA 0.002 54.613 54.840 -0.382 0.000 0.828 193 L CB 0.607 42.296 42.059 -0.617 0.000 1.150 193 L HN 0.467 nan 8.230 nan 0.000 0.442 194 V N 6.179 125.869 119.914 -0.374 0.000 2.417 194 V HA 0.474 4.594 4.120 -0.000 0.000 0.291 194 V C -0.357 175.492 176.094 -0.409 0.000 1.024 194 V CA -0.679 61.395 62.300 -0.377 0.000 0.861 194 V CB 1.703 33.327 31.823 -0.332 0.000 0.985 194 V HN 0.531 nan 8.190 nan 0.000 0.436 195 V N 5.662 125.306 119.914 -0.450 0.000 2.384 195 V HA 0.398 4.518 4.120 -0.000 0.000 0.287 195 V C -0.074 175.871 176.094 -0.248 0.000 1.020 195 V CA -0.682 61.407 62.300 -0.353 0.000 0.850 195 V CB 1.908 33.489 31.823 -0.403 0.000 0.987 195 V HN 0.592 nan 8.190 nan 0.000 0.436 196 V N 3.866 123.649 119.914 -0.218 0.000 2.368 196 V HA 0.245 4.365 4.120 -0.000 0.000 0.266 196 V C 0.025 176.095 176.094 -0.041 0.000 1.045 196 V CA -0.277 61.895 62.300 -0.214 0.000 0.899 196 V CB 1.416 32.994 31.823 -0.410 0.000 1.006 196 V HN 0.923 nan 8.190 nan 0.000 0.470 197 D N 4.314 124.752 120.400 0.063 0.000 2.411 197 D HA 0.171 4.810 4.640 -0.000 0.000 0.225 197 D C 0.695 177.064 176.300 0.115 0.000 1.156 197 D CA -0.170 53.909 54.000 0.132 0.000 0.874 197 D CB 0.935 41.909 40.800 0.289 0.000 1.034 197 D HN 0.629 nan 8.370 nan 0.000 0.502 198 E N 2.388 122.613 120.200 0.043 0.000 2.437 198 E HA 0.149 4.499 4.350 -0.000 0.000 0.195 198 E C 1.361 177.911 176.600 -0.082 0.000 1.029 198 E CA -0.273 56.157 56.400 0.049 0.000 0.948 198 E CB 0.608 30.365 29.700 0.095 0.000 1.082 198 E HN 0.550 nan 8.360 nan 0.000 0.456 199 A N 0.338 123.020 122.820 -0.230 0.000 2.024 199 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 199 A C 1.160 178.361 177.584 -0.638 0.000 1.164 199 A CA 1.197 52.938 52.037 -0.493 0.000 0.643 199 A CB -0.422 18.135 19.000 -0.738 0.000 0.806 199 A HN 0.297 nan 8.150 nan 0.000 0.451 200 Y N -0.636 119.640 120.300 -0.041 0.000 2.493 200 Y HA 0.269 4.819 4.550 -0.000 0.000 0.275 200 Y C 0.993 176.856 175.900 -0.061 0.000 1.183 200 Y CA -0.160 57.923 58.100 -0.028 0.000 1.258 200 Y CB -0.099 38.376 38.460 0.025 0.000 1.108 200 Y HN 0.384 nan 8.280 nan 0.000 0.521 201 Q N 2.553 122.367 119.800 0.024 0.000 2.322 201 Q HA 0.265 4.604 4.340 -0.000 0.000 0.256 201 Q C -2.500 173.513 176.000 0.021 0.000 0.960 201 Q CA -2.248 53.558 55.803 0.005 0.000 0.934 201 Q CB 1.045 29.802 28.738 0.032 0.000 1.200 201 Q HN 0.068 nan 8.270 nan 0.000 0.435 202 P HA -0.049 nan 4.420 nan 0.000 0.271 202 P C -0.748 176.613 177.300 0.101 0.000 1.238 202 P CA -0.140 62.995 63.100 0.058 0.000 0.794 202 P CB 0.372 32.085 31.700 0.022 0.000 0.959 203 F N 0.940 120.896 119.950 0.011 0.000 2.506 203 F HA 0.320 4.847 4.527 -0.000 0.000 0.351 203 F C 0.922 176.732 175.800 0.016 0.000 1.136 203 F CA 0.726 58.741 58.000 0.024 0.000 1.298 203 F CB -0.088 38.929 39.000 0.028 0.000 1.145 203 F HN 0.604 nan 8.300 nan 0.000 0.593 204 A N 3.124 125.552 122.820 -0.653 0.000 2.876 204 A HA -0.201 4.118 4.320 -0.000 0.000 0.287 204 A C -0.067 177.414 177.584 -0.172 0.000 1.455 204 A CA 1.003 52.817 52.037 -0.371 0.000 0.744 204 A CB -2.262 16.686 19.000 -0.086 0.000 1.041 204 A HN 0.811 nan 8.150 nan 0.000 0.500 205 Q N -0.997 118.703 119.800 -0.167 0.000 2.633 205 Q HA 0.505 4.844 4.340 -0.000 0.000 0.292 205 Q C -0.359 175.608 176.000 -0.054 0.000 1.089 205 Q CA -0.962 54.791 55.803 -0.084 0.000 0.811 205 Q CB 1.211 29.912 28.738 -0.062 0.000 1.472 205 Q HN 0.638 nan 8.270 nan 0.000 0.464 206 E N 0.924 121.123 120.200 -0.002 0.000 2.299 206 E HA 0.191 4.540 4.350 -0.000 0.000 0.272 206 E C -0.924 175.771 176.600 0.158 0.000 1.043 206 E CA 0.009 56.435 56.400 0.043 0.000 0.895 206 E CB 1.148 30.884 29.700 0.061 0.000 1.011 206 E HN 0.198 nan 8.360 nan 0.000 0.432 207 S N 3.026 118.768 115.700 0.071 0.000 2.566 207 S HA 0.442 4.911 4.470 -0.000 0.000 0.298 207 S C -1.014 173.583 174.600 -0.006 0.000 1.083 207 S CA -0.775 57.510 58.200 0.141 0.000 0.978 207 S CB 0.624 63.883 63.200 0.099 0.000 1.073 207 S HN 0.441 nan 8.310 nan 0.000 0.491 211 R N 1.807 122.375 120.500 0.113 0.000 2.307 211 R HA 0.407 4.747 4.340 -0.000 0.000 0.199 211 R C 1.673 178.131 176.300 0.263 0.000 1.000 211 R CA 0.363 56.589 56.100 0.210 0.000 1.023 211 R CB -1.109 29.461 30.300 0.451 0.000 0.908 211 R HN 0.518 nan 8.270 nan 0.000 0.473 212 L N 0.324 121.669 121.223 0.204 0.000 2.127 212 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 212 L C 1.898 178.840 176.870 0.119 0.000 1.089 212 L CA 1.506 56.455 54.840 0.180 0.000 0.757 212 L CB -0.770 41.377 42.059 0.146 0.000 0.899 212 L HN 0.128 nan 8.230 nan 0.000 0.434 213 T N -1.131 113.459 114.554 0.060 0.000 2.833 213 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 213 T C 1.292 175.954 174.700 -0.063 0.000 1.054 213 T CA 1.462 63.564 62.100 0.004 0.000 1.135 213 T CB -0.152 68.705 68.868 -0.017 0.000 0.869 213 T HN 0.367 nan 8.240 nan 0.000 0.466 214 D N -0.270 120.033 120.400 -0.161 0.000 2.327 214 D HA 0.136 4.776 4.640 -0.000 0.000 0.205 214 D C -0.225 175.713 176.300 -0.602 0.000 0.989 214 D CA 0.448 54.170 54.000 -0.462 0.000 0.873 214 D CB 0.187 40.528 40.800 -0.765 0.000 0.955 214 D HN 0.361 nan 8.370 nan 0.000 0.515 215 F N -0.202 119.797 119.950 0.081 0.000 2.507 215 F HA 0.441 4.968 4.527 -0.000 0.000 0.328 215 F C 1.402 177.266 175.800 0.106 0.000 1.136 215 F CA -1.039 57.012 58.000 0.085 0.000 0.930 215 F CB 2.216 41.267 39.000 0.084 0.000 1.166 215 F HN -0.230 nan 8.300 nan 0.000 0.436 216 G N 1.318 110.285 108.800 0.277 0.000 2.744 216 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.211 216 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.211 216 G C 0.824 175.975 174.900 0.418 0.000 1.143 216 G CA 0.338 45.603 45.100 0.275 0.000 0.788 216 G HN 0.596 nan 8.290 nan 0.000 0.534 217 N N -0.376 118.517 118.700 0.323 0.000 2.234 217 N HA 0.190 4.929 4.740 -0.000 0.000 0.227 217 N C -0.207 175.272 175.510 -0.052 0.000 1.151 217 N CA -0.440 52.745 53.050 0.224 0.000 0.865 217 N CB 0.416 38.996 38.487 0.154 0.000 1.066 217 N HN 0.189 nan 8.380 nan 0.000 0.515 218 L N 0.674 121.908 121.223 0.018 0.000 2.317 218 L HA 0.608 4.948 4.340 -0.000 0.000 0.281 218 L C -1.174 175.627 176.870 -0.116 0.000 1.024 218 L CA -0.638 54.156 54.840 -0.078 0.000 0.810 218 L CB 1.329 43.431 42.059 0.072 0.000 1.240 218 L HN 0.021 nan 8.230 nan 0.000 0.427 219 L N 5.189 126.294 121.223 -0.197 0.000 2.381 219 L HA 0.725 5.065 4.340 -0.000 0.000 0.268 219 L C -0.707 176.110 176.870 -0.088 0.000 0.997 219 L CA -0.847 53.908 54.840 -0.141 0.000 0.818 219 L CB 2.129 44.051 42.059 -0.230 0.000 1.310 219 L HN 0.383 nan 8.230 nan 0.000 0.416 223 T N -2.061 112.400 114.554 -0.156 0.000 2.916 223 T HA 0.713 5.063 4.350 -0.000 0.000 0.292 223 T C -0.579 174.237 174.700 0.194 0.000 1.064 223 T CA -0.745 61.374 62.100 0.032 0.000 1.011 223 T CB 1.826 70.669 68.868 -0.041 0.000 1.152 223 T HN 0.163 nan 8.240 nan 0.000 0.510 224 V N 1.727 121.766 119.914 0.208 0.000 2.547 224 V HA 0.592 4.712 4.120 -0.000 0.000 0.299 224 V C 0.850 176.997 176.094 0.089 0.000 1.040 224 V CA -0.883 61.517 62.300 0.167 0.000 0.913 224 V CB 1.662 33.566 31.823 0.135 0.000 0.992 224 V HN 1.167 nan 8.190 nan 0.000 0.449 225 S N 2.798 118.535 115.700 0.063 0.000 2.558 225 S HA 0.062 4.532 4.470 -0.000 0.000 0.288 225 S C 0.952 175.573 174.600 0.035 0.000 1.318 225 S CA -0.025 58.197 58.200 0.036 0.000 1.056 225 S CB 0.267 63.474 63.200 0.012 0.000 0.853 225 S HN 0.882 nan 8.310 nan 0.000 0.505 226 K N 4.102 124.517 120.400 0.026 0.000 2.397 226 K HA 0.294 4.613 4.320 -0.000 0.000 0.202 226 K C 0.323 176.929 176.600 0.010 0.000 1.022 226 K CA -0.143 56.156 56.287 0.020 0.000 1.141 226 K CB -0.498 32.010 32.500 0.013 0.000 0.857 226 K HN 0.689 nan 8.250 nan 0.000 0.514 227 L N 0.789 122.020 121.223 0.014 0.000 3.737 227 L HA -0.275 4.065 4.340 -0.000 0.000 0.418 227 L C 0.823 177.687 176.870 -0.009 0.000 1.216 227 L CA 0.673 55.517 54.840 0.007 0.000 0.915 227 L CB -2.228 39.843 42.059 0.020 0.000 1.834 227 L HN 0.749 nan 8.230 nan 0.000 0.943 228 G N -1.870 106.927 108.800 -0.006 0.000 2.168 228 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.263 228 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.263 228 G C 0.124 175.014 174.900 -0.017 0.000 0.977 228 G CA 0.416 45.510 45.100 -0.010 0.000 0.659 228 G HN 0.210 nan 8.290 nan 0.000 0.533 229 L N 0.742 121.952 121.223 -0.021 0.000 2.453 229 L HA 0.708 5.048 4.340 -0.000 0.000 0.261 229 L C 1.209 178.069 176.870 -0.017 0.000 1.179 229 L CA 0.238 55.062 54.840 -0.027 0.000 0.813 229 L CB 0.536 42.572 42.059 -0.039 0.000 1.110 229 L HN 0.491 nan 8.230 nan 0.000 0.466 230 A N 0.519 123.328 122.820 -0.017 0.000 2.388 230 A HA 0.658 4.977 4.320 -0.000 0.000 0.257 230 A C 0.619 178.198 177.584 -0.008 0.000 1.095 230 A CA 0.595 52.626 52.037 -0.010 0.000 0.791 230 A CB -0.118 18.876 19.000 -0.010 0.000 1.029 230 A HN 1.097 nan 8.150 nan 0.000 0.489 231 G N 0.231 109.029 108.800 -0.003 0.000 2.306 231 G HA2 0.057 4.016 3.960 -0.000 0.000 0.262 231 G HA3 0.057 4.016 3.960 -0.000 0.000 0.262 231 G C -0.560 174.343 174.900 0.004 0.000 1.263 231 G CA -0.384 44.716 45.100 0.000 0.000 1.088 231 G HN 0.926 nan 8.290 nan 0.000 0.489 232 I N 1.040 121.614 120.570 0.007 0.000 2.499 232 I HA 0.448 4.617 4.170 -0.000 0.000 0.296 232 I C 1.054 177.181 176.117 0.016 0.000 0.992 232 I CA -0.618 60.689 61.300 0.011 0.000 1.297 232 I CB 1.405 39.414 38.000 0.015 0.000 1.410 232 I HN 0.392 nan 8.210 nan 0.000 0.507 233 R N 3.405 123.915 120.500 0.017 0.000 2.459 233 R HA 0.385 4.725 4.340 -0.000 0.000 0.281 233 R C -0.718 175.609 176.300 0.045 0.000 1.050 233 R CA -0.989 55.127 56.100 0.027 0.000 1.055 233 R CB 1.103 31.413 30.300 0.016 0.000 1.045 233 R HN 0.341 nan 8.270 nan 0.000 0.495 234 L N 1.577 122.841 121.223 0.068 0.000 2.455 234 L HA 0.233 4.573 4.340 -0.000 0.000 0.272 234 L C 0.086 177.039 176.870 0.139 0.000 1.174 234 L CA 0.822 55.721 54.840 0.098 0.000 0.869 234 L CB 0.809 42.931 42.059 0.105 0.000 1.130 234 L HN 0.715 nan 8.230 nan 0.000 0.474 235 G N 4.139 113.019 108.800 0.133 0.000 2.420 235 G HA2 0.591 4.551 3.960 -0.000 0.000 0.331 235 G HA3 0.591 4.551 3.960 -0.000 0.000 0.331 235 G C -1.796 173.241 174.900 0.229 0.000 1.168 235 G CA -0.325 44.846 45.100 0.119 0.000 0.936 235 G HN 0.771 nan 8.290 nan 0.000 0.479 236 Y N -1.204 119.116 120.300 0.034 0.000 2.609 236 Y HA 0.733 5.283 4.550 -0.000 0.000 0.336 236 Y C -1.623 174.306 175.900 0.048 0.000 1.129 236 Y CA -1.762 56.363 58.100 0.042 0.000 1.040 236 Y CB 1.639 40.126 38.460 0.045 0.000 1.310 236 Y HN 0.647 nan 8.280 nan 0.000 0.460 237 V N 2.363 122.361 119.914 0.140 0.000 2.531 237 V HA 0.933 5.053 4.120 -0.000 0.000 0.301 237 V C -0.781 175.410 176.094 0.162 0.000 1.034 237 V CA -0.359 61.976 62.300 0.057 0.000 0.865 237 V CB 1.032 32.879 31.823 0.040 0.000 0.995 237 V HN 1.350 nan 8.190 nan 0.000 0.424 238 A N 4.611 127.520 122.820 0.147 0.000 2.324 238 A HA 1.045 5.365 4.320 -0.000 0.000 0.330 238 A C 0.292 177.949 177.584 0.121 0.000 1.165 238 A CA 0.263 52.403 52.037 0.173 0.000 0.813 238 A CB 1.448 20.575 19.000 0.213 0.000 1.197 238 A HN 1.994 nan 8.150 nan 0.000 0.484 239 G N 0.158 109.039 108.800 0.135 0.000 2.321 239 G HA2 0.375 4.335 3.960 -0.000 0.000 0.296 239 G HA3 0.375 4.335 3.960 -0.000 0.000 0.296 239 G C -1.679 173.330 174.900 0.182 0.000 1.287 239 G CA -0.554 44.638 45.100 0.153 0.000 0.846 239 G HN 0.729 nan 8.290 nan 0.000 0.508 240 D N 0.414 120.966 120.400 0.253 0.000 2.389 240 D HA 0.247 4.887 4.640 -0.000 0.000 0.247 240 D C -1.083 175.320 176.300 0.171 0.000 1.128 240 D CA -1.364 52.756 54.000 0.201 0.000 0.884 240 D CB 2.036 42.963 40.800 0.211 0.000 1.194 240 D HN -0.091 nan 8.370 nan 0.000 0.441 241 P HA -0.192 nan 4.420 nan 0.000 0.217 241 P C 1.048 178.373 177.300 0.042 0.000 1.148 241 P CA 1.471 64.612 63.100 0.068 0.000 0.834 241 P CB 0.197 31.918 31.700 0.035 0.000 0.783 242 Q N -2.519 117.267 119.800 -0.022 0.000 2.170 242 Q HA -0.168 4.172 4.340 -0.000 0.000 0.203 242 Q C 2.084 177.989 176.000 -0.159 0.000 0.976 242 Q CA 1.333 57.055 55.803 -0.134 0.000 0.858 242 Q CB -0.459 28.132 28.738 -0.244 0.000 0.907 242 Q HN 0.419 nan 8.270 nan 0.000 0.433 243 W N 0.485 121.796 121.300 0.018 0.000 2.444 243 W HA -0.025 4.635 4.660 -0.000 0.000 0.308 243 W C 1.881 178.412 176.519 0.020 0.000 1.183 243 W CA 0.261 57.616 57.345 0.017 0.000 1.340 243 W CB -0.089 29.381 29.460 0.018 0.000 1.138 243 W HN 0.027 nan 8.180 nan 0.000 0.510 244 L N 0.289 121.678 121.223 0.277 0.000 2.201 244 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 244 L C 1.889 178.828 176.870 0.115 0.000 1.105 244 L CA 1.273 56.217 54.840 0.174 0.000 0.775 244 L CB -0.859 41.284 42.059 0.141 0.000 0.913 244 L HN 0.113 nan 8.230 nan 0.000 0.440 245 E N -0.369 119.883 120.200 0.087 0.000 2.268 245 E HA -0.183 4.166 4.350 -0.000 0.000 0.195 245 E C 2.217 178.848 176.600 0.052 0.000 0.995 245 E CA 0.627 57.058 56.400 0.051 0.000 0.836 245 E CB 0.143 29.857 29.700 0.024 0.000 0.763 245 E HN 0.479 nan 8.360 nan 0.000 0.491 246 Q N 0.031 119.877 119.800 0.076 0.000 2.089 246 Q HA -0.048 4.292 4.340 -0.000 0.000 0.195 246 Q C 2.279 178.335 176.000 0.093 0.000 0.963 246 Q CA 0.525 56.376 55.803 0.079 0.000 0.834 246 Q CB -0.315 28.482 28.738 0.098 0.000 0.906 246 Q HN 0.233 nan 8.270 nan 0.000 0.452 247 L N 1.921 123.218 121.223 0.123 0.000 2.191 247 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 247 L C 1.607 178.520 176.870 0.072 0.000 1.103 247 L CA 1.788 56.689 54.840 0.102 0.000 0.769 247 L CB -0.534 41.592 42.059 0.111 0.000 0.908 247 L HN 0.101 nan 8.230 nan 0.000 0.438 248 D N -0.644 119.795 120.400 0.065 0.000 2.263 248 D HA -0.182 4.458 4.640 -0.000 0.000 0.208 248 D C 1.996 178.314 176.300 0.029 0.000 0.971 248 D CA 0.971 54.996 54.000 0.042 0.000 0.867 248 D CB 0.087 40.908 40.800 0.035 0.000 0.929 248 D HN 0.336 nan 8.370 nan 0.000 0.492 249 K N -0.532 119.888 120.400 0.034 0.000 2.362 249 K HA -0.050 4.270 4.320 -0.000 0.000 0.200 249 K C 1.595 178.211 176.600 0.026 0.000 1.046 249 K CA 0.998 57.300 56.287 0.026 0.000 0.952 249 K CB 0.291 32.808 32.500 0.029 0.000 0.753 249 K HN 0.213 nan 8.250 nan 0.000 0.466 250 V N -1.637 118.297 119.914 0.033 0.000 3.483 250 V HA 0.205 4.325 4.120 -0.000 0.000 0.301 250 V C 0.339 176.449 176.094 0.027 0.000 1.389 250 V CA -0.584 61.735 62.300 0.032 0.000 1.101 250 V CB -0.382 31.465 31.823 0.040 0.000 0.971 250 V HN 0.051 nan 8.190 nan 0.000 0.434 251 R N 2.439 122.953 120.500 0.023 0.000 2.267 251 R HA 0.433 4.773 4.340 -0.000 0.000 0.319 251 R C -2.494 173.810 176.300 0.005 0.000 1.067 251 R CA -1.625 54.486 56.100 0.018 0.000 0.936 251 R CB 0.767 31.077 30.300 0.016 0.000 1.006 251 R HN 0.286 nan 8.270 nan 0.000 0.452 252 P HA 0.107 nan 4.420 nan 0.000 0.269 252 P C -2.531 174.763 177.300 -0.010 0.000 1.209 252 P CA -1.148 61.959 63.100 0.010 0.000 0.776 252 P CB 0.251 31.966 31.700 0.025 0.000 0.876 253 P HA -0.017 nan 4.420 nan 0.000 0.268 253 P C -0.546 176.751 177.300 -0.004 0.000 1.205 253 P CA 0.119 63.144 63.100 -0.125 0.000 0.771 253 P CB 0.034 31.673 31.700 -0.102 0.000 0.858 254 Y N 0.112 120.421 120.300 0.016 0.000 3.305 254 Y HA -0.273 4.276 4.550 -0.000 0.000 0.212 254 Y C 1.702 177.610 175.900 0.014 0.000 1.248 254 Y CA 0.897 59.005 58.100 0.014 0.000 1.359 254 Y CB -2.912 35.555 38.460 0.011 0.000 1.407 254 Y HN 0.491 nan 8.280 nan 0.000 0.572 255 N N -0.762 118.000 118.700 0.102 0.000 2.309 255 N HA -0.047 4.693 4.740 -0.000 0.000 0.182 255 N C 0.328 175.881 175.510 0.071 0.000 1.018 255 N CA 1.232 54.326 53.050 0.073 0.000 0.876 255 N CB 0.013 38.526 38.487 0.043 0.000 0.972 255 N HN 0.277 nan 8.380 nan 0.000 0.434 256 V N 2.105 122.066 119.914 0.079 0.000 2.427 256 V HA 0.147 4.267 4.120 -0.000 0.000 0.286 256 V C 0.322 176.460 176.094 0.073 0.000 1.034 256 V CA -1.188 61.153 62.300 0.068 0.000 0.893 256 V CB 1.312 33.172 31.823 0.063 0.000 0.982 256 V HN 0.283 nan 8.190 nan 0.000 0.452 257 N N 2.892 121.624 118.700 0.053 0.000 2.492 257 N HA 0.016 4.756 4.740 -0.000 0.000 0.260 257 N C 1.302 176.836 175.510 0.040 0.000 1.215 257 N CA 0.236 53.311 53.050 0.041 0.000 0.923 257 N CB 1.992 40.494 38.487 0.024 0.000 1.092 257 N HN 0.600 nan 8.380 nan 0.000 0.448 258 V N 2.901 122.835 119.914 0.034 0.000 2.568 258 V HA -0.193 3.927 4.120 -0.000 0.000 0.253 258 V C 2.103 178.212 176.094 0.024 0.000 1.072 258 V CA 1.401 63.720 62.300 0.032 0.000 1.084 258 V CB -0.669 31.168 31.823 0.023 0.000 0.676 258 V HN 0.597 nan 8.190 nan 0.000 0.469 259 L N 0.302 121.534 121.223 0.014 0.000 2.109 259 L HA -0.066 4.273 4.340 -0.000 0.000 0.207 259 L C 2.823 179.701 176.870 0.013 0.000 1.086 259 L CA 1.820 56.664 54.840 0.006 0.000 0.760 259 L CB -1.130 40.925 42.059 -0.006 0.000 0.910 259 L HN 0.314 nan 8.230 nan 0.000 0.437 260 T N -0.446 114.120 114.554 0.021 0.000 2.708 260 T HA -0.189 4.161 4.350 -0.000 0.000 0.266 260 T C 1.746 176.469 174.700 0.038 0.000 1.037 260 T CA 1.461 63.578 62.100 0.029 0.000 1.146 260 T CB -0.148 68.739 68.868 0.033 0.000 0.865 260 T HN 0.397 nan 8.240 nan 0.000 0.435 261 E N 0.982 121.206 120.200 0.041 0.000 2.072 261 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 261 E C 2.615 179.245 176.600 0.049 0.000 0.985 261 E CA 0.898 57.324 56.400 0.044 0.000 0.801 261 E CB -0.221 29.505 29.700 0.044 0.000 0.750 261 E HN 0.469 nan 8.360 nan 0.000 0.452 262 A N 1.044 123.893 122.820 0.047 0.000 1.902 262 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 262 A C 2.393 180.032 177.584 0.092 0.000 1.181 262 A CA 1.970 54.044 52.037 0.062 0.000 0.623 262 A CB -0.901 18.121 19.000 0.038 0.000 0.818 262 A HN 0.176 nan 8.150 nan 0.000 0.443 263 T N 0.269 114.859 114.554 0.060 0.000 2.777 263 T HA 0.016 4.366 4.350 -0.000 0.000 0.266 263 T C 2.235 177.008 174.700 0.121 0.000 1.040 263 T CA 1.490 63.633 62.100 0.071 0.000 1.141 263 T CB -0.472 68.406 68.868 0.017 0.000 0.868 263 T HN 0.602 nan 8.240 nan 0.000 0.444 264 A N 1.284 124.153 122.820 0.083 0.000 1.908 264 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 264 A C 2.246 179.871 177.584 0.069 0.000 1.181 264 A CA 1.372 53.450 52.037 0.069 0.000 0.627 264 A CB -0.851 18.178 19.000 0.048 0.000 0.818 264 A HN 0.396 nan 8.150 nan 0.000 0.445 265 L N -1.867 119.404 121.223 0.080 0.000 2.056 265 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 265 L C 2.207 179.136 176.870 0.099 0.000 1.078 265 L CA 1.987 56.865 54.840 0.063 0.000 0.749 265 L CB -0.711 41.384 42.059 0.061 0.000 0.901 265 L HN 0.429 nan 8.230 nan 0.000 0.433 266 F N 0.118 120.096 119.950 0.048 0.000 2.095 266 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 266 F C 2.322 178.239 175.800 0.195 0.000 1.104 266 F CA 1.834 59.911 58.000 0.129 0.000 1.232 266 F CB -0.501 38.543 39.000 0.074 0.000 0.987 266 F HN 0.161 nan 8.300 nan 0.000 0.475 267 A N 0.284 123.251 122.820 0.245 0.000 1.902 267 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 267 A C 2.212 179.769 177.584 -0.046 0.000 1.181 267 A CA 1.762 53.856 52.037 0.096 0.000 0.623 267 A CB -1.198 17.838 19.000 0.061 0.000 0.818 267 A HN 0.476 nan 8.150 nan 0.000 0.443 268 L N -0.752 120.442 121.223 -0.049 0.000 2.275 268 L HA -0.144 4.196 4.340 -0.000 0.000 0.215 268 L C 2.055 178.839 176.870 -0.143 0.000 1.119 268 L CA 1.193 55.979 54.840 -0.090 0.000 0.790 268 L CB -0.405 41.620 42.059 -0.056 0.000 0.919 268 L HN 0.456 nan 8.230 nan 0.000 0.443 269 E N -1.306 118.766 120.200 -0.212 0.000 2.489 269 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 269 E C -0.128 176.053 176.600 -0.698 0.000 1.057 269 E CA 0.196 56.350 56.400 -0.410 0.000 0.866 269 E CB 0.252 29.670 29.700 -0.469 0.000 0.916 269 E HN 0.555 nan 8.360 nan 0.000 0.500 270 H N -0.749 118.150 119.070 -0.285 0.000 2.535 270 H HA 0.145 4.701 4.556 -0.000 0.000 0.232 270 H C 0.811 176.012 175.328 -0.213 0.000 1.405 270 H CA -0.290 55.605 56.048 -0.255 0.000 1.224 270 H CB 0.583 30.154 29.762 -0.319 0.000 1.763 270 H HN -0.098 nan 8.280 nan 0.000 0.529 271 V N 0.357 120.183 119.914 -0.147 0.000 2.392 271 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 271 V C 2.472 178.499 176.094 -0.112 0.000 1.059 271 V CA 2.244 64.423 62.300 -0.202 0.000 1.051 271 V CB -0.584 31.202 31.823 -0.062 0.000 0.658 271 V HN 0.790 nan 8.190 nan 0.000 0.455 272 A N -0.346 122.455 122.820 -0.031 0.000 1.948 272 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 272 A C 2.386 179.970 177.584 -0.000 0.000 1.177 272 A CA 2.239 54.280 52.037 0.007 0.000 0.636 272 A CB -0.662 18.346 19.000 0.013 0.000 0.815 272 A HN 0.372 nan 8.150 nan 0.000 0.449 273 V N 0.167 120.072 119.914 -0.015 0.000 2.358 273 V HA -0.240 3.879 4.120 -0.000 0.000 0.246 273 V C 2.525 178.591 176.094 -0.047 0.000 1.047 273 V CA 1.873 64.163 62.300 -0.017 0.000 1.035 273 V CB -0.728 31.091 31.823 -0.006 0.000 0.658 273 V HN 0.593 nan 8.190 nan 0.000 0.452 274 L N -0.256 120.882 121.223 -0.141 0.000 2.083 274 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 274 L C 2.329 179.198 176.870 -0.002 0.000 1.083 274 L CA 1.429 56.139 54.840 -0.216 0.000 0.752 274 L CB -0.848 40.751 42.059 -0.766 0.000 0.899 274 L HN 0.346 nan 8.230 nan 0.000 0.433 275 D N 0.546 120.983 120.400 0.062 0.000 2.117 275 D HA -0.161 4.478 4.640 -0.000 0.000 0.198 275 D C 2.412 178.764 176.300 0.086 0.000 0.982 275 D CA 1.651 55.744 54.000 0.155 0.000 0.828 275 D CB -0.033 40.853 40.800 0.145 0.000 0.967 275 D HN 0.457 nan 8.370 nan 0.000 0.464 276 E N 1.283 121.511 120.200 0.046 0.000 2.110 276 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 276 E C 1.962 178.580 176.600 0.029 0.000 0.988 276 E CA 1.207 57.626 56.400 0.032 0.000 0.804 276 E CB -0.904 28.808 29.700 0.020 0.000 0.745 276 E HN 0.414 nan 8.360 nan 0.000 0.458 277 Q N -0.614 119.203 119.800 0.028 0.000 2.061 277 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 277 Q C 2.703 178.726 176.000 0.039 0.000 0.984 277 Q CA 1.460 57.279 55.803 0.026 0.000 0.846 277 Q CB -0.291 28.460 28.738 0.022 0.000 0.902 277 Q HN 0.606 nan 8.270 nan 0.000 0.421 278 A N 1.091 123.952 122.820 0.068 0.000 1.908 278 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 278 A C 2.293 179.899 177.584 0.037 0.000 1.181 278 A CA 1.794 53.872 52.037 0.068 0.000 0.627 278 A CB -0.854 18.216 19.000 0.116 0.000 0.818 278 A HN 0.428 nan 8.150 nan 0.000 0.445 279 A N -1.106 121.737 122.820 0.038 0.000 1.902 279 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 279 A C 2.201 179.794 177.584 0.014 0.000 1.181 279 A CA 1.795 53.846 52.037 0.023 0.000 0.623 279 A CB -0.569 18.446 19.000 0.026 0.000 0.818 279 A HN 0.652 nan 8.150 nan 0.000 0.443 280 Q N -1.070 118.738 119.800 0.014 0.000 2.119 280 Q HA -0.144 4.196 4.340 -0.000 0.000 0.201 280 Q C 1.982 177.983 176.000 0.002 0.000 0.972 280 Q CA 1.423 57.231 55.803 0.008 0.000 0.847 280 Q CB -0.189 28.555 28.738 0.009 0.000 0.903 280 Q HN 0.551 nan 8.270 nan 0.000 0.433 281 L N 0.947 122.170 121.223 0.000 0.000 2.017 281 L HA -0.185 4.154 4.340 -0.000 0.000 0.208 281 L C 2.187 179.044 176.870 -0.022 0.000 1.073 281 L CA 1.748 56.580 54.840 -0.013 0.000 0.745 281 L CB -0.440 41.610 42.059 -0.016 0.000 0.894 281 L HN 0.106 nan 8.230 nan 0.000 0.432 282 R N -0.418 120.072 120.500 -0.017 0.000 2.094 282 R HA -0.218 4.122 4.340 -0.000 0.000 0.239 282 R C 2.213 178.503 176.300 -0.015 0.000 1.137 282 R CA 1.662 57.750 56.100 -0.021 0.000 0.943 282 R CB -0.902 29.391 30.300 -0.013 0.000 0.850 282 R HN 0.568 nan 8.270 nan 0.000 0.433 283 A N 1.381 124.197 122.820 -0.007 0.000 1.845 283 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 283 A C 2.018 179.601 177.584 -0.002 0.000 1.195 283 A CA 1.404 53.440 52.037 -0.003 0.000 0.616 283 A CB -0.370 18.631 19.000 0.002 0.000 0.832 283 A HN 0.202 nan 8.150 nan 0.000 0.443 284 E N -0.586 119.613 120.200 -0.003 0.000 2.110 284 E HA -0.187 4.162 4.350 -0.000 0.000 0.193 284 E C 2.136 178.732 176.600 -0.006 0.000 0.988 284 E CA 1.113 57.513 56.400 0.000 0.000 0.804 284 E CB -0.360 29.339 29.700 -0.001 0.000 0.745 284 E HN 0.664 nan 8.360 nan 0.000 0.458 285 R N 0.661 121.149 120.500 -0.021 0.000 2.092 285 R HA -0.067 4.273 4.340 -0.000 0.000 0.231 285 R C 2.296 178.584 176.300 -0.020 0.000 1.119 285 R CA 1.451 57.531 56.100 -0.034 0.000 0.970 285 R CB 0.053 30.318 30.300 -0.058 0.000 0.864 285 R HN -0.008 nan 8.270 nan 0.000 0.440 286 S N 0.467 116.159 115.700 -0.014 0.000 2.383 286 S HA -0.146 4.323 4.470 -0.000 0.000 0.227 286 S C 1.774 176.376 174.600 0.005 0.000 1.026 286 S CA 1.285 59.481 58.200 -0.006 0.000 0.981 286 S CB -0.282 62.914 63.200 -0.005 0.000 0.818 286 S HN 0.406 nan 8.310 nan 0.000 0.472 287 R N 1.089 121.595 120.500 0.010 0.000 2.070 287 R HA -0.087 4.253 4.340 -0.000 0.000 0.233 287 R C 2.077 178.400 176.300 0.038 0.000 1.137 287 R CA 1.591 57.704 56.100 0.022 0.000 0.945 287 R CB -0.525 29.790 30.300 0.025 0.000 0.845 287 R HN 0.258 nan 8.270 nan 0.000 0.430 288 V N 1.242 121.182 119.914 0.043 0.000 2.307 288 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 288 V C 2.556 178.685 176.094 0.059 0.000 1.045 288 V CA 1.886 64.232 62.300 0.075 0.000 1.024 288 V CB -0.817 31.037 31.823 0.052 0.000 0.651 288 V HN 0.589 nan 8.190 nan 0.000 0.449 289 A N -0.396 122.439 122.820 0.025 0.000 1.892 289 A HA -0.324 3.995 4.320 -0.000 0.000 0.218 289 A C 2.290 179.890 177.584 0.026 0.000 1.188 289 A CA 2.321 54.369 52.037 0.019 0.000 0.631 289 A CB -0.592 18.411 19.000 0.005 0.000 0.822 289 A HN 0.639 nan 8.150 nan 0.000 0.447 290 E N -0.216 119.996 120.200 0.021 0.000 2.051 290 E HA -0.014 4.336 4.350 -0.000 0.000 0.192 290 E C 1.440 178.052 176.600 0.020 0.000 0.991 290 E CA 0.509 56.917 56.400 0.013 0.000 0.799 290 E CB -0.457 29.247 29.700 0.006 0.000 0.748 290 E HN 0.559 nan 8.360 nan 0.000 0.449 294 A N 0.207 123.013 122.820 -0.023 0.000 2.015 294 A HA 0.073 4.393 4.320 -0.000 0.000 0.219 294 A C 0.945 178.432 177.584 -0.162 0.000 1.163 294 A CA 0.827 52.786 52.037 -0.130 0.000 0.646 294 A CB -0.690 18.175 19.000 -0.226 0.000 0.806 294 A HN 0.609 nan 8.150 nan 0.000 0.448 295 H N -0.017 119.096 119.070 0.072 0.000 2.582 295 H HA 0.341 4.896 4.556 -0.000 0.000 0.345 295 H C 0.898 176.245 175.328 0.031 0.000 1.104 295 H CA 0.168 56.243 56.048 0.044 0.000 1.390 295 H CB 0.697 30.489 29.762 0.050 0.000 1.461 295 H HN 0.270 nan 8.280 nan 0.000 0.551 296 G N 0.162 109.035 108.800 0.121 0.000 2.441 296 G HA2 0.314 4.274 3.960 -0.000 0.000 0.243 296 G HA3 0.314 4.274 3.960 -0.000 0.000 0.243 296 G C 0.972 175.914 174.900 0.070 0.000 1.281 296 G CA 0.186 45.327 45.100 0.068 0.000 0.854 296 G HN 0.868 nan 8.290 nan 0.000 0.560 297 G N -0.204 108.629 108.800 0.056 0.000 2.184 297 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.264 297 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.264 297 G C 0.312 175.260 174.900 0.080 0.000 0.975 297 G CA 0.455 45.589 45.100 0.055 0.000 0.642 297 G HN 1.301 nan 8.290 nan 0.000 0.536 298 V N 1.554 121.533 119.914 0.108 0.000 2.407 298 V HA 0.617 4.736 4.120 -0.000 0.000 0.278 298 V C 0.377 176.508 176.094 0.062 0.000 1.037 298 V CA 0.081 62.471 62.300 0.150 0.000 0.900 298 V CB 1.664 33.657 31.823 0.284 0.000 0.983 298 V HN 0.244 nan 8.190 nan 0.000 0.459 299 T N 4.815 119.366 114.554 -0.005 0.000 2.772 299 T HA 0.454 4.804 4.350 -0.000 0.000 0.288 299 T C -0.224 174.289 174.700 -0.311 0.000 0.994 299 T CA -0.291 61.680 62.100 -0.216 0.000 0.951 299 T CB 1.301 69.937 68.868 -0.386 0.000 0.933 299 T HN 0.338 nan 8.240 nan 0.000 0.447 300 V N 4.832 124.605 119.914 -0.235 0.000 2.465 300 V HA 0.450 4.570 4.120 -0.000 0.000 0.279 300 V C -0.315 175.624 176.094 -0.258 0.000 1.045 300 V CA -0.707 61.509 62.300 -0.140 0.000 0.938 300 V CB 0.375 32.186 31.823 -0.020 0.000 0.986 300 V HN 0.718 nan 8.190 nan 0.000 0.467 301 F N 5.846 125.869 119.950 0.121 0.000 2.379 301 F HA 0.498 5.025 4.527 -0.000 0.000 0.332 301 F C -1.533 174.316 175.800 0.082 0.000 1.096 301 F CA -2.448 55.639 58.000 0.146 0.000 1.105 301 F CB 0.687 39.838 39.000 0.252 0.000 1.189 301 F HN 0.334 nan 8.300 nan 0.000 0.515 302 P HA 0.089 nan 4.420 nan 0.000 0.268 302 P C -0.813 176.526 177.300 0.065 0.000 1.205 302 P CA -0.074 63.097 63.100 0.118 0.000 0.771 302 P CB 1.462 33.225 31.700 0.106 0.000 0.858 303 S N 0.671 116.360 115.700 -0.019 0.000 2.536 303 S HA 0.630 5.100 4.470 -0.000 0.000 0.271 303 S C -0.442 174.066 174.600 -0.153 0.000 1.134 303 S CA -0.331 57.798 58.200 -0.117 0.000 0.897 303 S CB 1.098 64.202 63.200 -0.160 0.000 1.094 303 S HN 0.465 nan 8.310 nan 0.000 0.473 304 A N 2.270 124.960 122.820 -0.217 0.000 2.616 304 A HA 0.796 5.116 4.320 -0.000 0.000 0.294 304 A C 0.340 177.765 177.584 -0.264 0.000 1.091 304 A CA 0.283 52.196 52.037 -0.207 0.000 0.971 304 A CB -0.358 18.521 19.000 -0.202 0.000 1.222 304 A HN 1.162 nan 8.150 nan 0.000 0.521 305 A N 0.331 122.911 122.820 -0.399 0.000 2.414 305 A HA 0.603 4.923 4.320 -0.000 0.000 0.278 305 A C 0.765 178.038 177.584 -0.517 0.000 1.228 305 A CA -0.117 51.588 52.037 -0.552 0.000 0.857 305 A CB 0.444 18.783 19.000 -1.102 0.000 1.389 305 A HN 0.360 nan 8.150 nan 0.000 0.452 306 N N -0.432 118.006 118.700 -0.436 0.000 2.434 306 N HA 0.140 4.880 4.740 -0.000 0.000 0.196 306 N C -0.426 175.022 175.510 -0.103 0.000 1.183 306 N CA 0.404 53.350 53.050 -0.172 0.000 0.849 306 N CB -0.483 38.007 38.487 0.004 0.000 0.992 306 N HN 0.532 nan 8.380 nan 0.000 0.460 307 F N -1.846 118.052 119.950 -0.087 0.000 2.664 307 F HA 0.726 5.252 4.527 -0.000 0.000 0.317 307 F C -1.327 174.409 175.800 -0.106 0.000 1.108 307 F CA -1.535 56.395 58.000 -0.117 0.000 0.957 307 F CB 1.003 39.920 39.000 -0.139 0.000 1.365 307 F HN -0.292 nan 8.300 nan 0.000 0.475 308 L N 2.132 123.443 121.223 0.147 0.000 2.386 308 L HA 0.574 4.914 4.340 -0.000 0.000 0.271 308 L C -1.293 175.673 176.870 0.160 0.000 0.993 308 L CA -1.004 53.894 54.840 0.095 0.000 0.819 308 L CB 2.106 44.174 42.059 0.015 0.000 1.294 308 L HN 0.682 nan 8.230 nan 0.000 0.414 309 L N 3.030 124.368 121.223 0.192 0.000 2.307 309 L HA 0.843 5.183 4.340 -0.000 0.000 0.282 309 L C -0.308 176.773 176.870 0.353 0.000 1.051 309 L CA 0.159 55.115 54.840 0.193 0.000 0.804 309 L CB 1.372 43.470 42.059 0.066 0.000 1.197 309 L HN 0.704 nan 8.230 nan 0.000 0.431 310 A N 5.517 128.524 122.820 0.312 0.000 2.422 310 A HA 0.686 5.005 4.320 -0.000 0.000 0.302 310 A C -0.915 176.887 177.584 0.365 0.000 1.041 310 A CA -0.763 51.463 52.037 0.316 0.000 0.708 310 A CB 1.213 20.328 19.000 0.192 0.000 1.257 310 A HN 0.690 nan 8.150 nan 0.000 0.414 311 R N 1.242 121.971 120.500 0.383 0.000 2.346 311 R HA 0.628 4.968 4.340 -0.000 0.000 0.311 311 R C -0.577 175.866 176.300 0.239 0.000 0.983 311 R CA -0.277 56.029 56.100 0.342 0.000 0.880 311 R CB 1.285 31.831 30.300 0.411 0.000 1.100 311 R HN 0.839 nan 8.270 nan 0.000 0.453 312 V N 1.887 121.931 119.914 0.216 0.000 3.046 312 V HA 0.536 4.656 4.120 -0.000 0.000 0.316 312 V C -2.279 173.883 176.094 0.114 0.000 1.104 312 V CA -2.133 60.270 62.300 0.171 0.000 1.006 312 V CB 1.911 33.849 31.823 0.192 0.000 1.058 312 V HN 0.596 nan 8.190 nan 0.000 0.440 313 P HA -0.063 nan 4.420 nan 0.000 0.216 313 P C -0.026 177.304 177.300 0.050 0.000 1.153 313 P CA 1.838 64.968 63.100 0.049 0.000 0.858 313 P CB 0.141 31.852 31.700 0.018 0.000 0.789 314 D N -2.529 117.899 120.400 0.047 0.000 2.336 314 D HA 0.340 4.979 4.640 -0.000 0.000 0.248 314 D C 0.631 176.975 176.300 0.074 0.000 1.326 314 D CA -0.488 53.542 54.000 0.051 0.000 0.973 314 D CB 0.874 41.692 40.800 0.030 0.000 1.255 314 D HN -0.143 nan 8.370 nan 0.000 0.558 315 A N 3.007 125.884 122.820 0.095 0.000 1.902 315 A HA 0.028 4.348 4.320 -0.000 0.000 0.217 315 A C 2.115 179.783 177.584 0.141 0.000 1.181 315 A CA 1.880 53.994 52.037 0.128 0.000 0.623 315 A CB -0.369 18.701 19.000 0.117 0.000 0.818 315 A HN 0.582 nan 8.150 nan 0.000 0.443 316 A N -0.832 122.044 122.820 0.093 0.000 1.883 316 A HA -0.248 4.071 4.320 -0.000 0.000 0.217 316 A C 2.223 179.898 177.584 0.152 0.000 1.186 316 A CA 1.868 53.965 52.037 0.100 0.000 0.624 316 A CB -0.608 18.420 19.000 0.048 0.000 0.822 316 A HN 0.659 nan 8.150 nan 0.000 0.444 317 Q N -0.999 118.861 119.800 0.099 0.000 2.079 317 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 317 Q C 2.064 178.109 176.000 0.074 0.000 0.974 317 Q CA 1.996 57.842 55.803 0.072 0.000 0.840 317 Q CB -0.230 28.527 28.738 0.032 0.000 0.898 317 Q HN 0.616 nan 8.270 nan 0.000 0.430 318 T N 0.708 115.314 114.554 0.088 0.000 2.746 318 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 318 T C 1.297 176.084 174.700 0.144 0.000 1.039 318 T CA 1.291 63.435 62.100 0.074 0.000 1.142 318 T CB -0.467 68.456 68.868 0.092 0.000 0.866 318 T HN 0.368 nan 8.240 nan 0.000 0.444 319 F N 2.536 122.531 119.950 0.074 0.000 2.095 319 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 319 F C 1.954 177.786 175.800 0.054 0.000 1.104 319 F CA 1.581 59.627 58.000 0.078 0.000 1.232 319 F CB -0.299 38.739 39.000 0.063 0.000 0.987 319 F HN 0.055 nan 8.300 nan 0.000 0.475 320 D N 0.072 120.558 120.400 0.142 0.000 2.117 320 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 320 D C 2.422 178.687 176.300 -0.059 0.000 0.987 320 D CA 1.248 55.264 54.000 0.027 0.000 0.829 320 D CB -0.403 40.462 40.800 0.110 0.000 0.961 320 D HN 0.357 nan 8.370 nan 0.000 0.460 321 R N 0.153 120.634 120.500 -0.031 0.000 2.081 321 R HA -0.020 4.320 4.340 -0.000 0.000 0.235 321 R C 2.585 178.841 176.300 -0.073 0.000 1.131 321 R CA 0.583 56.652 56.100 -0.052 0.000 0.960 321 R CB -0.344 29.924 30.300 -0.054 0.000 0.856 321 R HN 0.207 nan 8.270 nan 0.000 0.436 322 L N 0.316 121.492 121.223 -0.078 0.000 2.046 322 L HA -0.198 4.141 4.340 -0.000 0.000 0.208 322 L C 2.374 179.169 176.870 -0.125 0.000 1.077 322 L CA 0.710 55.512 54.840 -0.063 0.000 0.747 322 L CB -0.377 41.692 42.059 0.017 0.000 0.896 322 L HN 0.187 nan 8.230 nan 0.000 0.432 323 L N 0.157 121.229 121.223 -0.252 0.000 2.056 323 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 323 L C 2.621 179.414 176.870 -0.127 0.000 1.078 323 L CA 1.966 56.651 54.840 -0.258 0.000 0.749 323 L CB -0.752 41.052 42.059 -0.424 0.000 0.901 323 L HN 0.147 nan 8.230 nan 0.000 0.433 324 A N -0.655 122.106 122.820 -0.099 0.000 2.024 324 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 324 A C 2.258 179.815 177.584 -0.045 0.000 1.164 324 A CA 1.584 53.587 52.037 -0.055 0.000 0.643 324 A CB -0.541 18.433 19.000 -0.043 0.000 0.806 324 A HN 0.524 nan 8.150 nan 0.000 0.451 325 R N -1.011 119.459 120.500 -0.050 0.000 2.356 325 R HA 0.071 4.411 4.340 -0.000 0.000 0.234 325 R C -0.267 176.018 176.300 -0.025 0.000 0.929 325 R CA -0.000 56.079 56.100 -0.034 0.000 1.084 325 R CB 0.281 30.560 30.300 -0.035 0.000 1.105 325 R HN 0.237 nan 8.270 nan 0.000 0.515 326 K N -0.584 119.795 120.400 -0.035 0.000 3.192 326 K HA -0.116 4.204 4.320 -0.000 0.000 0.278 326 K C -0.939 175.650 176.600 -0.017 0.000 1.164 326 K CA 0.478 56.748 56.287 -0.028 0.000 0.816 326 K CB -2.397 30.093 32.500 -0.018 0.000 1.256 326 K HN 0.046 nan 8.250 nan 0.000 0.497 327 V N 1.119 121.022 119.914 -0.019 0.000 2.487 327 V HA 0.472 4.592 4.120 -0.000 0.000 0.298 327 V C -0.293 175.783 176.094 -0.030 0.000 1.028 327 V CA -0.998 61.316 62.300 0.023 0.000 0.860 327 V CB 1.931 33.823 31.823 0.114 0.000 0.991 327 V HN 0.245 nan 8.190 nan 0.000 0.427 328 L N 7.653 128.863 121.223 -0.021 0.000 2.298 328 L HA 0.783 5.123 4.340 -0.000 0.000 0.284 328 L C -0.497 176.384 176.870 0.018 0.000 1.013 328 L CA 0.023 54.837 54.840 -0.044 0.000 0.824 328 L CB 1.122 43.172 42.059 -0.015 0.000 1.221 328 L HN 0.669 nan 8.230 nan 0.000 0.418 329 I N 1.527 122.140 120.570 0.071 0.000 3.237 329 I HA 0.695 4.865 4.170 -0.000 0.000 0.308 329 I C -0.568 175.684 176.117 0.224 0.000 1.093 329 I CA -1.202 60.159 61.300 0.102 0.000 1.001 329 I CB 0.951 39.001 38.000 0.083 0.000 1.245 329 I HN 0.438 nan 8.210 nan 0.000 0.485 330 K N 2.030 122.498 120.400 0.113 0.000 2.253 330 K HA 0.374 4.694 4.320 -0.000 0.000 0.277 330 K C -0.748 175.883 176.600 0.051 0.000 1.053 330 K CA -0.079 56.246 56.287 0.063 0.000 0.892 330 K CB 0.238 32.703 32.500 -0.058 0.000 1.102 330 K HN 0.663 nan 8.250 nan 0.000 0.469 331 N N 4.156 122.836 118.700 -0.034 0.000 2.469 331 N HA 0.042 4.781 4.740 -0.000 0.000 0.239 331 N C 0.099 175.533 175.510 -0.126 0.000 1.053 331 N CA -0.452 52.524 53.050 -0.123 0.000 0.937 331 N CB 0.875 39.095 38.487 -0.445 0.000 1.163 331 N HN 0.414 nan 8.380 nan 0.000 0.509 332 V N 0.936 120.807 119.914 -0.072 0.000 3.596 332 V HA 0.168 4.288 4.120 -0.000 0.000 0.289 332 V C 1.527 177.599 176.094 -0.037 0.000 1.336 332 V CA 0.110 62.366 62.300 -0.074 0.000 1.137 332 V CB -0.430 31.335 31.823 -0.097 0.000 0.966 332 V HN 0.393 nan 8.190 nan 0.000 0.428 333 S N 0.967 116.652 115.700 -0.025 0.000 2.387 333 S HA -0.058 4.412 4.470 -0.000 0.000 0.230 333 S C 1.437 176.041 174.600 0.005 0.000 1.035 333 S CA 2.142 60.347 58.200 0.009 0.000 1.014 333 S CB -0.480 62.725 63.200 0.007 0.000 0.836 333 S HN 1.000 nan 8.310 nan 0.000 0.466 337 P HA -0.115 nan 4.420 nan 0.000 0.216 337 P C 1.805 179.173 177.300 0.113 0.000 1.154 337 P CA 1.195 64.256 63.100 -0.065 0.000 0.865 337 P CB 0.243 31.849 31.700 -0.157 0.000 0.789 338 L N -1.840 119.579 121.223 0.326 0.000 2.265 338 L HA -0.116 4.224 4.340 -0.000 0.000 0.215 338 L C 1.934 179.009 176.870 0.342 0.000 1.117 338 L CA 0.913 55.947 54.840 0.324 0.000 0.782 338 L CB -0.702 41.592 42.059 0.392 0.000 0.914 338 L HN 0.012 nan 8.230 nan 0.000 0.441 339 L N -0.059 121.338 121.223 0.289 0.000 2.611 339 L HA 0.220 4.560 4.340 -0.000 0.000 0.229 339 L C 1.267 178.225 176.870 0.147 0.000 1.137 339 L CA -0.653 54.303 54.840 0.193 0.000 0.901 339 L CB -0.327 41.789 42.059 0.095 0.000 1.098 339 L HN 0.080 nan 8.230 nan 0.000 0.456 340 A N 0.717 123.618 122.820 0.135 0.000 2.584 340 A HA -0.067 4.252 4.320 -0.000 0.000 0.239 340 A C 1.009 178.669 177.584 0.126 0.000 1.043 340 A CA 0.228 52.326 52.037 0.101 0.000 0.756 340 A CB -0.208 18.841 19.000 0.082 0.000 0.963 340 A HN 0.630 nan 8.150 nan 0.000 0.511 341 N N -0.663 118.099 118.700 0.104 0.000 2.714 341 N HA -0.180 4.560 4.740 -0.000 0.000 0.250 341 N C -0.533 175.077 175.510 0.167 0.000 1.117 341 N CA 1.291 54.415 53.050 0.123 0.000 0.719 341 N CB -1.941 36.618 38.487 0.120 0.000 1.081 341 N HN 0.695 nan 8.380 nan 0.000 0.557 342 C N 0.901 120.295 119.300 0.158 0.000 2.341 342 C HA 0.692 5.151 4.460 -0.000 0.000 0.338 342 C C 0.850 175.913 174.990 0.123 0.000 1.257 342 C CA -0.799 58.326 59.018 0.178 0.000 1.883 342 C CB 0.991 28.826 27.740 0.158 0.000 2.334 342 C HN 0.208 nan 8.230 nan 0.000 0.524 343 L N 2.984 124.298 121.223 0.152 0.000 2.365 343 L HA 0.615 4.955 4.340 -0.000 0.000 0.273 343 L C 0.068 176.982 176.870 0.073 0.000 1.000 343 L CA -0.512 54.405 54.840 0.129 0.000 0.819 343 L CB 1.256 43.446 42.059 0.218 0.000 1.284 343 L HN 0.623 nan 8.230 nan 0.000 0.418 344 R N 2.384 122.885 120.500 0.000 0.000 2.265 344 R HA 0.623 4.963 4.340 -0.000 0.000 0.328 344 R C -1.538 174.714 176.300 -0.080 0.000 0.969 344 R CA -0.477 55.584 56.100 -0.066 0.000 0.832 344 R CB 1.472 31.646 30.300 -0.209 0.000 1.139 344 R HN 0.437 nan 8.270 nan 0.000 0.457 345 V N 3.912 123.772 119.914 -0.091 0.000 2.384 345 V HA 0.252 4.371 4.120 -0.000 0.000 0.287 345 V C 0.134 176.143 176.094 -0.140 0.000 1.020 345 V CA -0.719 61.440 62.300 -0.236 0.000 0.850 345 V CB 1.806 33.326 31.823 -0.504 0.000 0.987 345 V HN 0.771 nan 8.190 nan 0.000 0.436 346 T N 4.533 119.006 114.554 -0.134 0.000 2.832 346 T HA 0.330 4.680 4.350 -0.000 0.000 0.296 346 T C 0.113 174.755 174.700 -0.097 0.000 0.968 346 T CA -0.148 61.932 62.100 -0.032 0.000 1.107 346 T CB 1.168 70.023 68.868 -0.022 0.000 0.916 346 T HN 0.396 nan 8.240 nan 0.000 0.517 347 V N 3.881 123.766 119.914 -0.049 0.000 2.488 347 V HA 0.381 4.501 4.120 -0.000 0.000 0.277 347 V C 0.650 176.720 176.094 -0.039 0.000 1.046 347 V CA 0.017 62.278 62.300 -0.065 0.000 0.986 347 V CB 1.138 32.928 31.823 -0.055 0.000 0.989 347 V HN 0.982 nan 8.190 nan 0.000 0.475 348 S N 3.230 118.907 115.700 -0.038 0.000 3.206 348 S HA 0.554 5.023 4.470 -0.000 0.000 0.261 348 S C 0.422 175.018 174.600 -0.006 0.000 1.020 348 S CA 0.201 58.390 58.200 -0.019 0.000 1.078 348 S CB 1.603 64.790 63.200 -0.023 0.000 1.301 348 S HN 0.934 nan 8.310 nan 0.000 0.677 349 T N 0.776 115.330 114.554 0.000 0.000 2.868 349 T HA 0.393 4.743 4.350 -0.000 0.000 0.292 349 T C -2.065 172.643 174.700 0.014 0.000 1.028 349 T CA -1.064 61.039 62.100 0.006 0.000 1.059 349 T CB 0.447 69.318 68.868 0.005 0.000 0.991 349 T HN 0.281 nan 8.240 nan 0.000 0.531 350 P HA -0.135 nan 4.420 nan 0.000 0.217 350 P C 1.882 179.199 177.300 0.030 0.000 1.158 350 P CA 2.332 65.446 63.100 0.022 0.000 0.887 350 P CB -0.318 31.392 31.700 0.017 0.000 0.792 351 E N 0.440 120.654 120.200 0.024 0.000 2.051 351 E HA -0.267 4.083 4.350 -0.000 0.000 0.192 351 E C 1.931 178.554 176.600 0.038 0.000 0.991 351 E CA 1.710 58.126 56.400 0.026 0.000 0.799 351 E CB -1.586 28.124 29.700 0.016 0.000 0.748 351 E HN 0.462 nan 8.360 nan 0.000 0.449 352 E N 0.362 120.583 120.200 0.035 0.000 2.110 352 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 352 E C 2.197 178.851 176.600 0.089 0.000 0.988 352 E CA 1.014 57.442 56.400 0.048 0.000 0.804 352 E CB -0.079 29.635 29.700 0.024 0.000 0.745 352 E HN 0.406 nan 8.360 nan 0.000 0.458 353 N N 0.893 119.641 118.700 0.080 0.000 2.188 353 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 353 N C 1.723 177.334 175.510 0.168 0.000 1.018 353 N CA 1.214 54.341 53.050 0.129 0.000 0.858 353 N CB -0.353 38.181 38.487 0.078 0.000 0.989 353 N HN 0.122 nan 8.380 nan 0.000 0.426 354 A N 1.394 124.276 122.820 0.103 0.000 1.877 354 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 354 A C 2.167 179.799 177.584 0.080 0.000 1.186 354 A CA 1.334 53.419 52.037 0.080 0.000 0.620 354 A CB -0.637 18.393 19.000 0.051 0.000 0.822 354 A HN 0.334 nan 8.150 nan 0.000 0.443 355 Q N -1.793 118.059 119.800 0.086 0.000 2.084 355 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 355 Q C 1.931 177.997 176.000 0.110 0.000 0.978 355 Q CA 1.633 57.483 55.803 0.078 0.000 0.844 355 Q CB -0.349 28.431 28.738 0.070 0.000 0.898 355 Q HN 0.759 nan 8.270 nan 0.000 0.426 356 F N 1.327 121.293 119.950 0.025 0.000 2.075 356 F HA -0.192 4.335 4.527 -0.000 0.000 0.297 356 F C 1.764 177.617 175.800 0.088 0.000 1.113 356 F CA 1.377 59.399 58.000 0.037 0.000 1.218 356 F CB -0.342 38.658 39.000 0.000 0.000 0.984 356 F HN -0.057 nan 8.300 nan 0.000 0.472 357 L N 0.403 121.528 121.223 -0.163 0.000 2.131 357 L HA -0.148 4.191 4.340 -0.000 0.000 0.210 357 L C 2.899 179.721 176.870 -0.079 0.000 1.092 357 L CA 1.579 56.302 54.840 -0.195 0.000 0.759 357 L CB -1.556 40.525 42.059 0.037 0.000 0.903 357 L HN 0.414 nan 8.230 nan 0.000 0.435 358 E N 0.494 120.671 120.200 -0.039 0.000 2.051 358 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 358 E C 2.285 178.851 176.600 -0.057 0.000 0.991 358 E CA 1.479 57.866 56.400 -0.021 0.000 0.799 358 E CB -0.774 28.925 29.700 -0.001 0.000 0.748 358 E HN 0.571 nan 8.360 nan 0.000 0.449 359 A N -0.598 122.176 122.820 -0.077 0.000 1.930 359 A HA 0.153 4.473 4.320 -0.000 0.000 0.217 359 A C 2.195 179.699 177.584 -0.133 0.000 1.175 359 A CA 1.500 53.489 52.037 -0.080 0.000 0.627 359 A CB -0.521 18.462 19.000 -0.028 0.000 0.815 359 A HN 0.536 nan 8.150 nan 0.000 0.443 360 F N 1.021 120.709 119.950 -0.438 0.000 2.102 360 F HA -0.066 4.461 4.527 -0.000 0.000 0.298 360 F C 2.542 178.093 175.800 -0.415 0.000 1.105 360 F CA 1.141 58.839 58.000 -0.504 0.000 1.239 360 F CB -0.478 37.974 39.000 -0.913 0.000 0.991 360 F HN 0.244 nan 8.300 nan 0.000 0.474 361 A N 0.194 122.845 122.820 -0.283 0.000 1.902 361 A HA -0.063 4.256 4.320 -0.000 0.000 0.217 361 A C 2.378 179.814 177.584 -0.247 0.000 1.181 361 A CA 1.817 53.680 52.037 -0.289 0.000 0.623 361 A CB -1.537 17.504 19.000 0.069 0.000 0.818 361 A HN 0.478 nan 8.150 nan 0.000 0.443 362 A N -0.771 121.946 122.820 -0.171 0.000 1.969 362 A HA 0.004 4.323 4.320 -0.000 0.000 0.218 362 A C 2.324 179.807 177.584 -0.167 0.000 1.169 362 A CA 1.807 53.765 52.037 -0.131 0.000 0.635 362 A CB -0.637 18.312 19.000 -0.086 0.000 0.810 362 A HN 0.435 nan 8.150 nan 0.000 0.445 363 S N -0.379 115.185 115.700 -0.227 0.000 2.481 363 S HA 0.078 4.548 4.470 -0.000 0.000 0.231 363 S C 1.528 175.964 174.600 -0.274 0.000 0.996 363 S CA 0.794 58.862 58.200 -0.221 0.000 0.942 363 S CB -0.215 62.857 63.200 -0.214 0.000 0.768 363 S HN 0.511 nan 8.310 nan 0.000 0.520 364 L N 0.661 121.651 121.223 -0.389 0.000 2.416 364 L HA 0.117 4.457 4.340 -0.000 0.000 0.216 364 L C 1.285 178.031 176.870 -0.206 0.000 1.098 364 L CA 0.284 54.904 54.840 -0.367 0.000 0.840 364 L CB -0.179 41.527 42.059 -0.587 0.000 0.981 364 L HN 0.270 nan 8.230 nan 0.000 0.462 365 Q N 0.000 119.702 119.800 -0.164 0.000 2.315 365 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 365 Q CA 0.000 55.748 55.803 -0.091 0.000 1.022 365 Q CB 0.000 28.696 28.738 -0.070 0.000 1.108 365 Q HN 0.000 nan 8.270 nan 0.000 0.481