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 3hmu_1_B DATA FIRST_RESID 4 DATA SEQUENCE ITNHMPTAEL QALDAAHHLH PFSANNALGE EGTRVITRAR GVWLNDSEGE DATA SEQUENCE EILDAMAGLW CVNIGYGRDE LAEVAARQMR ELPYYNTFFK TTHVPAIALA DATA SEQUENCE QKLAELAPGD LNHVFFAGGG SEANDTNIRM VRTYWQNKGQ PEKTVIISRK DATA SEQUENCE NAYHGSTVAS SALGGMAGMH AQSGLIPDVH HINQPNWWAE GGDMDPEEFG DATA SEQUENCE LARARELEEA ILELGENRVA AFIAEPVQGA GGVIVAPDSY WPEIQRICDK DATA SEQUENCE YDILLIADEV ICGFGRTGNW FGTQTMGIRP HIMTIAKGLS SGYAPIGGSI DATA SEQUENCE VCDEVAHVIG KDEFNHGYTY SGHPVAAAVA LENLRILEEE NILDHVRNVA DATA SEQUENCE APYLKEKWEA LTDHPLVGEA KIVGMMASIA LTPNKASRAK FASEPGTIGY DATA SEQUENCE ICRERCFANN LIMRHVGDRM IISPPLVITP AEIDEMFVRI RKSLDEAQAE DATA SEQUENCE IEKQGLMKSE 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.117 176.117 0.001 0.000 1.063 4 I CA 0.000 61.304 61.300 0.006 0.000 1.566 4 I CB 0.000 38.004 38.000 0.007 0.000 1.214 5 T N -1.044 113.511 114.554 0.002 0.000 2.804 5 T HA 0.385 4.736 4.350 0.001 0.000 0.290 5 T C 0.576 175.276 174.700 -0.000 0.000 1.099 5 T CA -0.839 61.260 62.100 -0.002 0.000 1.011 5 T CB 1.501 70.367 68.868 -0.004 0.000 1.291 5 T HN 0.309 nan 8.240 nan 0.000 0.523 6 N N -0.265 118.432 118.700 -0.004 0.000 2.519 6 N HA -0.013 4.728 4.740 0.001 0.000 0.186 6 N C 1.915 177.422 175.510 -0.004 0.000 1.062 6 N CA 1.555 54.602 53.050 -0.005 0.000 0.910 6 N CB -0.718 37.762 38.487 -0.011 0.000 0.958 6 N HN 0.845 nan 8.380 nan 0.000 0.445 7 H N 0.027 119.095 119.070 -0.003 0.000 2.529 7 H HA 0.257 4.813 4.556 0.001 0.000 0.277 7 H C 1.026 176.354 175.328 0.001 0.000 0.999 7 H CA 0.296 56.342 56.048 -0.002 0.000 1.256 7 H CB -0.319 29.441 29.762 -0.003 0.000 1.402 7 H HN 0.221 nan 8.280 nan 0.000 0.566 8 M N 1.848 121.450 119.600 0.004 0.000 2.249 8 M HA 0.244 4.725 4.480 0.001 0.000 0.340 8 M C -2.526 173.780 176.300 0.009 0.000 1.166 8 M CA -1.686 53.619 55.300 0.008 0.000 1.115 8 M CB 1.009 33.616 32.600 0.012 0.000 1.606 8 M HN 0.089 nan 8.290 nan 0.000 0.448 9 P HA 0.063 nan 4.420 nan 0.000 0.266 9 P C 0.096 177.404 177.300 0.013 0.000 1.195 9 P CA -0.043 63.062 63.100 0.008 0.000 0.768 9 P CB 0.517 32.221 31.700 0.008 0.000 0.838 10 T N 1.894 116.455 114.554 0.012 0.000 2.699 10 T HA -0.244 4.107 4.350 0.001 0.000 0.268 10 T C 1.757 176.469 174.700 0.020 0.000 1.036 10 T CA 2.109 64.219 62.100 0.016 0.000 1.147 10 T CB -0.625 68.251 68.868 0.014 0.000 0.862 10 T HN 0.489 nan 8.240 nan 0.000 0.446 11 A N 1.300 124.129 122.820 0.015 0.000 1.933 11 A HA -0.149 4.172 4.320 0.001 0.000 0.218 11 A C 2.189 179.784 177.584 0.018 0.000 1.175 11 A CA 1.679 53.725 52.037 0.015 0.000 0.628 11 A CB -0.472 18.534 19.000 0.010 0.000 0.814 11 A HN 0.598 nan 8.150 nan 0.000 0.444 12 E N -0.353 119.859 120.200 0.020 0.000 2.107 12 E HA -0.050 4.301 4.350 0.001 0.000 0.191 12 E C 1.917 178.538 176.600 0.035 0.000 0.982 12 E CA 0.752 57.167 56.400 0.024 0.000 0.809 12 E CB -0.211 29.502 29.700 0.022 0.000 0.756 12 E HN 0.625 nan 8.360 nan 0.000 0.459 13 L N 0.879 122.124 121.223 0.036 0.000 2.017 13 L HA -0.239 4.101 4.340 0.001 0.000 0.208 13 L C 2.550 179.458 176.870 0.062 0.000 1.073 13 L CA 1.331 56.200 54.840 0.049 0.000 0.745 13 L CB -0.382 41.703 42.059 0.043 0.000 0.894 13 L HN 0.139 nan 8.230 nan 0.000 0.432 14 Q N -0.316 119.514 119.800 0.050 0.000 2.096 14 Q HA -0.224 4.117 4.340 0.001 0.000 0.204 14 Q C 2.421 178.448 176.000 0.043 0.000 0.982 14 Q CA 1.722 57.554 55.803 0.049 0.000 0.850 14 Q CB -0.302 28.454 28.738 0.029 0.000 0.901 14 Q HN 0.576 nan 8.270 nan 0.000 0.422 15 A N 0.702 123.541 122.820 0.032 0.000 1.902 15 A HA -0.154 4.167 4.320 0.001 0.000 0.217 15 A C 2.056 179.654 177.584 0.024 0.000 1.181 15 A CA 1.061 53.109 52.037 0.018 0.000 0.623 15 A CB -0.642 18.366 19.000 0.013 0.000 0.818 15 A HN 0.293 nan 8.150 nan 0.000 0.443 16 L N -0.820 120.438 121.223 0.058 0.000 2.046 16 L HA -0.209 4.131 4.340 0.001 0.000 0.208 16 L C 2.355 179.309 176.870 0.139 0.000 1.077 16 L CA 1.849 56.753 54.840 0.107 0.000 0.747 16 L CB -0.492 41.645 42.059 0.130 0.000 0.896 16 L HN 0.505 nan 8.230 nan 0.000 0.432 17 D N -0.291 120.195 120.400 0.143 0.000 2.097 17 D HA -0.210 4.431 4.640 0.001 0.000 0.195 17 D C 2.187 178.591 176.300 0.174 0.000 0.989 17 D CA 1.361 55.493 54.000 0.220 0.000 0.827 17 D CB 0.109 41.063 40.800 0.256 0.000 0.966 17 D HN 0.284 nan 8.370 nan 0.000 0.456 18 A N 0.283 123.150 122.820 0.078 0.000 1.933 18 A HA -0.010 4.310 4.320 0.001 0.000 0.218 18 A C 2.279 179.843 177.584 -0.033 0.000 1.175 18 A CA 1.958 54.008 52.037 0.021 0.000 0.628 18 A CB -0.902 18.093 19.000 -0.009 0.000 0.814 18 A HN 0.337 nan 8.150 nan 0.000 0.444 19 A N -2.207 120.540 122.820 -0.122 0.000 2.066 19 A HA -0.036 4.284 4.320 0.001 0.000 0.218 19 A C 1.754 179.044 177.584 -0.489 0.000 1.157 19 A CA 1.503 53.315 52.037 -0.374 0.000 0.670 19 A CB -0.377 18.274 19.000 -0.581 0.000 0.804 19 A HN 0.669 nan 8.150 nan 0.000 0.453 20 H N -3.528 115.597 119.070 0.092 0.000 3.771 20 H HA 0.147 4.704 4.556 0.001 0.000 0.260 20 H C -0.284 175.135 175.328 0.151 0.000 1.158 20 H CA -0.181 55.923 56.048 0.093 0.000 1.170 20 H CB 0.016 29.818 29.762 0.066 0.000 1.539 20 H HN 0.698 nan 8.280 nan 0.000 0.634 21 H N 1.598 120.756 119.070 0.147 0.000 2.551 21 H HA 0.372 4.929 4.556 0.001 0.000 0.321 21 H C -0.772 174.628 175.328 0.120 0.000 1.028 21 H CA -0.504 55.597 56.048 0.089 0.000 1.215 21 H CB 0.834 30.627 29.762 0.052 0.000 1.414 21 H HN -0.009 nan 8.280 nan 0.000 0.480 22 L N 6.547 127.827 121.223 0.095 0.000 2.260 22 L HA 0.218 4.559 4.340 0.001 0.000 0.289 22 L C 0.375 177.158 176.870 -0.144 0.000 1.057 22 L CA -0.525 54.320 54.840 0.008 0.000 0.811 22 L CB 0.760 42.849 42.059 0.050 0.000 1.184 22 L HN 0.605 nan 8.230 nan 0.000 0.429 23 H N 3.409 122.336 119.070 -0.239 0.000 2.525 23 H HA 0.244 4.801 4.556 0.001 0.000 0.339 23 H C -2.032 173.276 175.328 -0.033 0.000 1.109 23 H CA -1.724 54.207 56.048 -0.196 0.000 1.352 23 H CB 1.363 31.015 29.762 -0.184 0.000 1.461 23 H HN 0.335 nan 8.280 nan 0.000 0.533 24 P HA -0.107 nan 4.420 nan 0.000 0.267 24 P C -0.280 177.172 177.300 0.253 0.000 1.201 24 P CA 0.062 63.266 63.100 0.173 0.000 0.775 24 P CB 0.120 32.001 31.700 0.302 0.000 0.854 25 F N -0.981 119.011 119.950 0.069 0.000 2.861 25 F HA -0.242 4.286 4.527 0.001 0.000 0.230 25 F C 0.339 176.162 175.800 0.039 0.000 1.020 25 F CA 0.824 58.855 58.000 0.052 0.000 0.852 25 F CB -1.947 37.081 39.000 0.045 0.000 0.724 25 F HN 0.084 nan 8.300 nan 0.000 0.843 26 S N -0.771 114.991 115.700 0.105 0.000 2.595 26 S HA 0.841 5.311 4.470 0.001 0.000 0.281 26 S C -0.158 174.453 174.600 0.019 0.000 1.117 26 S CA -0.422 57.818 58.200 0.066 0.000 0.873 26 S CB 2.063 65.296 63.200 0.055 0.000 1.108 26 S HN 0.431 nan 8.310 nan 0.000 0.477 27 A N 2.005 124.825 122.820 0.001 0.000 2.774 27 A HA 0.350 4.670 4.320 0.001 0.000 0.326 27 A C 0.907 178.475 177.584 -0.026 0.000 1.478 27 A CA -0.544 51.483 52.037 -0.016 0.000 1.099 27 A CB -0.585 18.399 19.000 -0.027 0.000 1.148 27 A HN 0.761 nan 8.150 nan 0.000 0.519 28 N N 1.726 120.415 118.700 -0.019 0.000 2.223 28 N HA -0.154 4.587 4.740 0.001 0.000 0.185 28 N C 1.002 176.494 175.510 -0.029 0.000 1.016 28 N CA 1.126 54.162 53.050 -0.023 0.000 0.863 28 N CB 0.065 38.554 38.487 0.003 0.000 0.983 28 N HN 0.652 nan 8.380 nan 0.000 0.429 29 N N 1.581 120.267 118.700 -0.023 0.000 2.058 29 N HA -0.099 4.642 4.740 0.001 0.000 0.191 29 N C 1.783 177.273 175.510 -0.033 0.000 1.037 29 N CA 1.291 54.327 53.050 -0.025 0.000 0.848 29 N CB -0.666 37.809 38.487 -0.020 0.000 1.021 29 N HN 0.192 nan 8.380 nan 0.000 0.422 30 A N 1.173 123.972 122.820 -0.036 0.000 1.902 30 A HA -0.089 4.232 4.320 0.001 0.000 0.217 30 A C 2.228 179.783 177.584 -0.049 0.000 1.181 30 A CA 1.076 53.089 52.037 -0.040 0.000 0.623 30 A CB -0.837 18.136 19.000 -0.045 0.000 0.818 30 A HN 0.244 nan 8.150 nan 0.000 0.443 31 L N 0.331 121.517 121.223 -0.062 0.000 2.013 31 L HA -0.130 4.211 4.340 0.001 0.000 0.212 31 L C 2.378 179.192 176.870 -0.093 0.000 1.073 31 L CA 2.603 57.386 54.840 -0.095 0.000 0.753 31 L CB -1.194 40.774 42.059 -0.152 0.000 0.890 31 L HN 0.306 nan 8.230 nan 0.000 0.432 32 G N -0.690 108.066 108.800 -0.073 0.000 2.418 32 G HA2 -0.278 3.683 3.960 0.001 0.000 0.217 32 G HA3 -0.278 3.683 3.960 0.001 0.000 0.217 32 G C 1.300 176.178 174.900 -0.037 0.000 1.158 32 G CA 0.806 45.876 45.100 -0.051 0.000 0.771 32 G HN 0.705 nan 8.290 nan 0.000 0.545 33 E N 0.200 120.380 120.200 -0.034 0.000 2.216 33 E HA -0.028 4.323 4.350 0.001 0.000 0.192 33 E C 2.057 178.644 176.600 -0.023 0.000 0.988 33 E CA 0.943 57.328 56.400 -0.025 0.000 0.834 33 E CB -0.250 29.436 29.700 -0.023 0.000 0.772 33 E HN 0.597 nan 8.360 nan 0.000 0.479 34 E N 1.579 121.762 120.200 -0.028 0.000 2.107 34 E HA -0.000 4.350 4.350 0.001 0.000 0.191 34 E C 0.382 176.970 176.600 -0.019 0.000 0.982 34 E CA 0.820 57.208 56.400 -0.022 0.000 0.809 34 E CB 0.060 29.747 29.700 -0.023 0.000 0.756 34 E HN 0.285 nan 8.360 nan 0.000 0.459 35 G N 1.221 110.003 108.800 -0.029 0.000 3.039 35 G HA2 -0.187 3.774 3.960 0.001 0.000 0.686 35 G HA3 -0.187 3.774 3.960 0.001 0.000 0.686 35 G C -0.060 174.826 174.900 -0.023 0.000 1.066 35 G CA -0.123 44.966 45.100 -0.019 0.000 0.774 35 G HN 0.274 nan 8.290 nan 0.000 0.591 36 T N -0.203 114.338 114.554 -0.022 0.000 2.899 36 T HA 0.674 5.025 4.350 0.001 0.000 0.284 36 T C 0.682 175.405 174.700 0.039 0.000 1.004 36 T CA -0.474 61.618 62.100 -0.013 0.000 1.043 36 T CB 1.821 70.683 68.868 -0.010 0.000 1.013 36 T HN 0.822 nan 8.240 nan 0.000 0.518 37 R N 0.972 121.511 120.500 0.065 0.000 2.298 37 R HA 0.461 4.802 4.340 0.001 0.000 0.310 37 R C -1.073 175.274 176.300 0.078 0.000 1.068 37 R CA -0.543 55.603 56.100 0.077 0.000 0.957 37 R CB 0.397 30.763 30.300 0.110 0.000 1.003 37 R HN 0.578 nan 8.270 nan 0.000 0.454 38 V N 7.029 126.977 119.914 0.057 0.000 2.348 38 V HA 0.215 4.335 4.120 0.001 0.000 0.270 38 V C 0.291 176.400 176.094 0.024 0.000 1.037 38 V CA -0.648 61.683 62.300 0.052 0.000 0.872 38 V CB 1.002 32.852 31.823 0.045 0.000 1.002 38 V HN 0.630 nan 8.190 nan 0.000 0.464 39 I N 5.521 126.101 120.570 0.018 0.000 2.371 39 I HA 0.257 4.427 4.170 0.001 0.000 0.290 39 I C 1.380 177.476 176.117 -0.035 0.000 1.028 39 I CA 0.246 61.532 61.300 -0.023 0.000 1.345 39 I CB 1.201 39.177 38.000 -0.041 0.000 1.407 39 I HN 0.771 nan 8.210 nan 0.000 0.501 40 T N 4.299 118.823 114.554 -0.051 0.000 3.026 40 T HA 0.304 4.655 4.350 0.001 0.000 0.245 40 T C 0.758 175.417 174.700 -0.068 0.000 1.004 40 T CA -0.125 61.947 62.100 -0.047 0.000 1.069 40 T CB 0.621 69.469 68.868 -0.034 0.000 1.005 40 T HN 0.609 nan 8.240 nan 0.000 0.472 41 R N 0.203 120.647 120.500 -0.094 0.000 2.781 41 R HA 0.850 5.191 4.340 0.001 0.000 0.269 41 R C -1.833 174.355 176.300 -0.187 0.000 1.025 41 R CA -1.115 54.917 56.100 -0.113 0.000 0.914 41 R CB 1.771 32.028 30.300 -0.071 0.000 1.236 41 R HN 0.280 nan 8.270 nan 0.000 0.465 42 A N 1.090 123.779 122.820 -0.218 0.000 2.574 42 A HA 0.774 5.094 4.320 0.001 0.000 0.297 42 A C -1.414 176.115 177.584 -0.093 0.000 1.062 42 A CA -0.778 51.055 52.037 -0.340 0.000 0.686 42 A CB 2.210 20.566 19.000 -1.073 0.000 1.285 42 A HN 0.773 nan 8.150 nan 0.000 0.403 43 R N 1.177 121.703 120.500 0.044 0.000 2.535 43 R HA 0.558 4.899 4.340 0.001 0.000 0.274 43 R C 0.642 177.105 176.300 0.272 0.000 1.090 43 R CA 0.681 56.886 56.100 0.174 0.000 0.930 43 R CB 1.327 31.701 30.300 0.122 0.000 1.223 43 R HN 2.609 nan 8.270 nan 0.000 0.441 44 G N 1.912 110.868 108.800 0.259 0.000 2.602 44 G HA2 -0.389 3.571 3.960 0.001 0.000 0.310 44 G HA3 -0.389 3.571 3.960 0.001 0.000 0.310 44 G C 0.532 175.527 174.900 0.158 0.000 1.183 44 G CA 0.817 46.035 45.100 0.196 0.000 0.979 44 G HN 1.360 nan 8.290 nan 0.000 0.545 45 V N -3.038 116.837 119.914 -0.065 0.000 3.542 45 V HA 0.606 4.727 4.120 0.001 0.000 0.296 45 V C 0.439 176.288 176.094 -0.408 0.000 1.364 45 V CA 0.286 62.419 62.300 -0.279 0.000 1.118 45 V CB -0.593 30.933 31.823 -0.495 0.000 0.972 45 V HN 0.552 nan 8.190 nan 0.000 0.430 46 W N 0.357 121.685 121.300 0.046 0.000 2.606 46 W HA 0.813 5.474 4.660 0.001 0.000 0.332 46 W C -0.504 175.920 176.519 -0.158 0.000 1.052 46 W CA -0.875 56.441 57.345 -0.049 0.000 1.223 46 W CB 1.702 31.137 29.460 -0.043 0.000 1.383 46 W HN -0.009 nan 8.180 nan 0.000 0.524 47 L N 2.223 123.485 121.223 0.064 0.000 2.322 47 L HA 0.573 4.914 4.340 0.001 0.000 0.269 47 L C -0.440 176.414 176.870 -0.027 0.000 1.012 47 L CA -1.056 53.724 54.840 -0.099 0.000 0.815 47 L CB 1.366 43.325 42.059 -0.166 0.000 1.295 47 L HN 0.436 nan 8.230 nan 0.000 0.438 48 N N -0.207 118.450 118.700 -0.071 0.000 2.284 48 N HA 0.381 5.121 4.740 0.001 0.000 0.300 48 N C -1.568 173.908 175.510 -0.057 0.000 1.047 48 N CA -0.870 52.149 53.050 -0.052 0.000 0.821 48 N CB 1.937 40.393 38.487 -0.052 0.000 1.337 48 N HN 0.642 nan 8.380 nan 0.000 0.482 49 D N -0.700 119.676 120.400 -0.040 0.000 2.487 49 D HA 0.147 4.788 4.640 0.001 0.000 0.262 49 D C 0.882 177.171 176.300 -0.019 0.000 1.130 49 D CA -0.690 53.294 54.000 -0.027 0.000 1.038 49 D CB 0.401 41.191 40.800 -0.016 0.000 1.142 49 D HN 0.401 nan 8.370 nan 0.000 0.575 50 S N -1.225 114.471 115.700 -0.008 0.000 2.507 50 S HA -0.127 4.344 4.470 0.001 0.000 0.235 50 S C 1.007 175.604 174.600 -0.006 0.000 0.988 50 S CA 0.458 58.655 58.200 -0.005 0.000 0.944 50 S CB -0.378 62.825 63.200 0.005 0.000 0.762 50 S HN 0.479 nan 8.310 nan 0.000 0.526 51 E N 0.882 121.078 120.200 -0.006 0.000 2.474 51 E HA 0.206 4.557 4.350 0.001 0.000 0.194 51 E C 1.323 177.914 176.600 -0.015 0.000 1.041 51 E CA 0.554 56.950 56.400 -0.008 0.000 0.874 51 E CB 0.019 29.718 29.700 -0.003 0.000 0.914 51 E HN 0.709 nan 8.360 nan 0.000 0.498 52 G N 2.118 110.906 108.800 -0.021 0.000 2.137 52 G HA2 -0.213 3.748 3.960 0.001 0.000 0.237 52 G HA3 -0.213 3.748 3.960 0.001 0.000 0.237 52 G C -0.001 174.879 174.900 -0.033 0.000 1.002 52 G CA -0.069 45.013 45.100 -0.029 0.000 0.702 52 G HN 0.095 nan 8.290 nan 0.000 0.515 53 E N 0.231 120.415 120.200 -0.027 0.000 2.398 53 E HA 0.359 4.710 4.350 0.001 0.000 0.263 53 E C 0.405 176.988 176.600 -0.028 0.000 1.046 53 E CA -0.106 56.279 56.400 -0.026 0.000 0.908 53 E CB 1.058 30.748 29.700 -0.017 0.000 0.963 53 E HN 0.489 nan 8.360 nan 0.000 0.431 54 E N 2.019 122.201 120.200 -0.029 0.000 2.109 54 E HA 0.333 4.684 4.350 0.001 0.000 0.278 54 E C -1.101 175.563 176.600 0.106 0.000 0.954 54 E CA -0.277 56.114 56.400 -0.015 0.000 0.779 54 E CB 0.257 29.864 29.700 -0.154 0.000 1.093 54 E HN 0.318 nan 8.360 nan 0.000 0.401 55 I N 4.511 125.189 120.570 0.180 0.000 2.433 55 I HA 0.246 4.417 4.170 0.001 0.000 0.292 55 I C -0.899 175.338 176.117 0.200 0.000 1.001 55 I CA -1.296 60.078 61.300 0.124 0.000 1.119 55 I CB 1.582 39.556 38.000 -0.042 0.000 1.289 55 I HN 0.454 nan 8.210 nan 0.000 0.438 56 L N 6.114 127.374 121.223 0.060 0.000 2.295 56 L HA 0.277 4.617 4.340 0.001 0.000 0.288 56 L C -0.084 176.626 176.870 -0.267 0.000 1.079 56 L CA 0.094 54.758 54.840 -0.293 0.000 0.830 56 L CB 0.174 42.037 42.059 -0.325 0.000 1.200 56 L HN 0.444 nan 8.230 nan 0.000 0.438 57 D N 4.248 124.494 120.400 -0.257 0.000 2.470 57 D HA 0.212 4.853 4.640 0.001 0.000 0.226 57 D C 0.866 177.048 176.300 -0.197 0.000 1.196 57 D CA 0.277 54.170 54.000 -0.178 0.000 0.979 57 D CB 0.937 41.719 40.800 -0.030 0.000 1.059 57 D HN 0.652 nan 8.370 nan 0.000 0.515 58 A N 3.866 126.553 122.820 -0.223 0.000 2.235 58 A HA 0.006 4.327 4.320 0.001 0.000 0.208 58 A C 1.497 178.932 177.584 -0.248 0.000 1.172 58 A CA 0.341 52.244 52.037 -0.222 0.000 0.786 58 A CB -0.102 18.771 19.000 -0.211 0.000 0.804 58 A HN 0.507 nan 8.150 nan 0.000 0.479 59 M N -1.774 117.678 119.600 -0.246 0.000 2.333 59 M HA 0.329 4.810 4.480 0.001 0.000 0.257 59 M C 0.973 177.129 176.300 -0.240 0.000 1.078 59 M CA 0.465 55.569 55.300 -0.327 0.000 1.005 59 M CB -0.560 31.833 32.600 -0.344 0.000 1.444 59 M HN 0.766 nan 8.290 nan 0.000 0.496 60 A N 1.225 123.957 122.820 -0.146 0.000 2.362 60 A HA 0.026 4.346 4.320 0.001 0.000 0.290 60 A C 1.348 178.890 177.584 -0.071 0.000 1.441 60 A CA 1.387 53.356 52.037 -0.113 0.000 0.743 60 A CB -2.069 16.860 19.000 -0.118 0.000 1.125 60 A HN 1.043 nan 8.150 nan 0.000 0.378 61 G N -1.439 107.381 108.800 0.034 0.000 4.026 61 G HA2 -0.044 3.917 3.960 0.001 0.000 0.309 61 G HA3 -0.044 3.917 3.960 0.001 0.000 0.309 61 G C 0.247 175.159 174.900 0.021 0.000 1.411 61 G CA 0.730 45.879 45.100 0.081 0.000 1.037 61 G HN 2.133 nan 8.290 nan 0.000 0.687 62 L N -0.129 121.122 121.223 0.046 0.000 2.511 62 L HA 0.570 4.911 4.340 0.001 0.000 0.252 62 L C -0.363 176.689 176.870 0.302 0.000 1.542 62 L CA -0.136 54.765 54.840 0.101 0.000 0.822 62 L CB -0.258 41.901 42.059 0.166 0.000 1.050 62 L HN 0.902 nan 8.230 nan 0.000 0.516 63 W N 0.491 121.772 121.300 -0.031 0.000 4.141 63 W HA -0.342 4.319 4.660 0.001 0.000 0.336 63 W C 1.339 177.850 176.519 -0.014 0.000 1.258 63 W CA 0.911 58.238 57.345 -0.031 0.000 0.747 63 W CB -2.195 27.250 29.460 -0.024 0.000 2.338 63 W HN 0.657 nan 8.180 nan 0.000 1.410 64 C N -5.963 113.429 119.300 0.153 0.000 4.049 64 C HA 0.498 4.958 4.460 0.001 0.000 0.493 64 C C 0.967 175.971 174.990 0.022 0.000 1.535 64 C CA 0.390 59.472 59.018 0.108 0.000 2.218 64 C CB -0.416 27.394 27.740 0.116 0.000 3.323 64 C HN -0.034 nan 8.230 nan 0.000 0.654 65 V N 4.427 124.296 119.914 -0.075 0.000 2.071 65 V HA 0.187 4.308 4.120 0.001 0.000 0.254 65 V C 0.749 176.763 176.094 -0.133 0.000 1.456 65 V CA 0.538 62.727 62.300 -0.186 0.000 1.383 65 V CB -0.871 30.595 31.823 -0.594 0.000 1.433 65 V HN 0.464 nan 8.190 nan 0.000 0.499 66 N N 2.639 121.316 118.700 -0.039 0.000 2.188 66 N HA -0.083 4.658 4.740 0.001 0.000 0.184 66 N C 1.654 177.137 175.510 -0.044 0.000 1.018 66 N CA 1.401 54.436 53.050 -0.026 0.000 0.858 66 N CB -0.119 38.380 38.487 0.020 0.000 0.989 66 N HN 0.810 nan 8.380 nan 0.000 0.426 67 I N -2.823 117.723 120.570 -0.041 0.000 3.735 67 I HA 0.314 4.485 4.170 0.001 0.000 0.310 67 I C 0.729 176.824 176.117 -0.038 0.000 1.270 67 I CA -0.093 61.178 61.300 -0.048 0.000 1.207 67 I CB -0.729 37.228 38.000 -0.072 0.000 1.013 67 I HN -0.010 nan 8.210 nan 0.000 0.452 68 G N 0.949 109.703 108.800 -0.076 0.000 2.781 68 G HA2 -0.253 3.707 3.960 0.001 0.000 0.683 68 G HA3 -0.253 3.707 3.960 0.001 0.000 0.683 68 G C -0.684 174.190 174.900 -0.043 0.000 1.390 68 G CA -0.513 44.527 45.100 -0.101 0.000 0.850 68 G HN 0.353 nan 8.290 nan 0.000 0.557 69 Y N 0.153 120.501 120.300 0.080 0.000 2.281 69 Y HA 0.410 4.960 4.550 0.001 0.000 0.337 69 Y C 1.833 177.812 175.900 0.131 0.000 1.304 69 Y CA 1.076 59.227 58.100 0.085 0.000 1.465 69 Y CB 0.963 39.423 38.460 0.000 0.000 1.350 69 Y HN 2.096 nan 8.280 nan 0.000 0.575 70 G N 0.703 109.694 108.800 0.318 0.000 2.143 70 G HA2 -0.256 3.705 3.960 0.001 0.000 0.248 70 G HA3 -0.256 3.705 3.960 0.001 0.000 0.248 70 G C 0.020 175.035 174.900 0.192 0.000 0.991 70 G CA -0.585 44.642 45.100 0.212 0.000 0.689 70 G HN 0.348 nan 8.290 nan 0.000 0.522 71 R N 0.891 121.548 120.500 0.261 0.000 2.891 71 R HA 0.275 4.616 4.340 0.001 0.000 0.248 71 R C 0.653 177.015 176.300 0.103 0.000 1.439 71 R CA -0.523 55.643 56.100 0.111 0.000 1.288 71 R CB 0.221 30.502 30.300 -0.031 0.000 1.212 71 R HN 0.223 nan 8.270 nan 0.000 0.605 72 D N 1.262 121.720 120.400 0.096 0.000 2.309 72 D HA -0.126 4.515 4.640 0.001 0.000 0.212 72 D C 1.004 177.326 176.300 0.038 0.000 0.968 72 D CA 0.913 54.963 54.000 0.083 0.000 0.882 72 D CB 0.416 41.254 40.800 0.063 0.000 0.918 72 D HN 0.387 nan 8.370 nan 0.000 0.503 73 E N -0.095 120.106 120.200 0.003 0.000 2.171 73 E HA -0.159 4.192 4.350 0.001 0.000 0.197 73 E C 1.721 178.299 176.600 -0.036 0.000 0.997 73 E CA 0.575 56.962 56.400 -0.021 0.000 0.810 73 E CB -0.120 29.555 29.700 -0.041 0.000 0.738 73 E HN 0.220 nan 8.360 nan 0.000 0.467 74 L N -0.201 120.984 121.223 -0.065 0.000 2.179 74 L HA 0.046 4.387 4.340 0.001 0.000 0.208 74 L C 2.119 179.003 176.870 0.023 0.000 1.096 74 L CA 1.356 56.148 54.840 -0.080 0.000 0.779 74 L CB -0.740 41.151 42.059 -0.280 0.000 0.922 74 L HN 0.111 nan 8.230 nan 0.000 0.443 75 A N -0.609 122.254 122.820 0.071 0.000 1.930 75 A HA -0.204 4.117 4.320 0.001 0.000 0.217 75 A C 2.306 179.912 177.584 0.035 0.000 1.175 75 A CA 1.592 53.673 52.037 0.073 0.000 0.627 75 A CB -0.398 18.650 19.000 0.079 0.000 0.815 75 A HN 0.368 nan 8.150 nan 0.000 0.443 76 E N -0.001 120.212 120.200 0.022 0.000 2.077 76 E HA -0.114 4.237 4.350 0.001 0.000 0.193 76 E C 1.803 178.405 176.600 0.003 0.000 0.989 76 E CA 1.607 58.013 56.400 0.011 0.000 0.800 76 E CB -0.421 29.282 29.700 0.006 0.000 0.746 76 E HN 0.217 nan 8.360 nan 0.000 0.452 77 V N 0.760 120.671 119.914 -0.004 0.000 2.343 77 V HA -0.241 3.880 4.120 0.001 0.000 0.247 77 V C 2.345 178.436 176.094 -0.004 0.000 1.051 77 V CA 1.771 64.065 62.300 -0.010 0.000 1.036 77 V CB -0.893 30.917 31.823 -0.023 0.000 0.654 77 V HN 0.462 nan 8.190 nan 0.000 0.451 78 A N 0.006 122.830 122.820 0.007 0.000 1.877 78 A HA -0.141 4.180 4.320 0.001 0.000 0.216 78 A C 2.439 180.030 177.584 0.012 0.000 1.186 78 A CA 2.172 54.217 52.037 0.014 0.000 0.620 78 A CB -0.867 18.151 19.000 0.030 0.000 0.822 78 A HN 0.567 nan 8.150 nan 0.000 0.443 79 A N -0.276 122.551 122.820 0.012 0.000 1.902 79 A HA -0.192 4.129 4.320 0.001 0.000 0.217 79 A C 2.274 179.860 177.584 0.003 0.000 1.181 79 A CA 1.879 53.921 52.037 0.009 0.000 0.623 79 A CB -0.537 18.469 19.000 0.010 0.000 0.818 79 A HN 0.588 nan 8.150 nan 0.000 0.443 80 R N -0.908 119.592 120.500 -0.001 0.000 2.081 80 R HA -0.223 4.118 4.340 0.001 0.000 0.235 80 R C 2.353 178.645 176.300 -0.012 0.000 1.131 80 R CA 1.982 58.078 56.100 -0.006 0.000 0.960 80 R CB -0.294 30.002 30.300 -0.007 0.000 0.856 80 R HN 0.502 nan 8.270 nan 0.000 0.436 81 Q N 0.622 120.412 119.800 -0.016 0.000 2.084 81 Q HA -0.094 4.246 4.340 0.001 0.000 0.202 81 Q C 2.032 178.016 176.000 -0.026 0.000 0.978 81 Q CA 2.068 57.852 55.803 -0.031 0.000 0.844 81 Q CB -0.150 28.563 28.738 -0.041 0.000 0.898 81 Q HN 0.412 nan 8.270 nan 0.000 0.426 82 M N -0.674 118.923 119.600 -0.005 0.000 2.213 82 M HA -0.154 4.326 4.480 0.001 0.000 0.263 82 M C 2.087 178.389 176.300 0.004 0.000 1.062 82 M CA 1.511 56.817 55.300 0.009 0.000 1.105 82 M CB -0.113 32.500 32.600 0.022 0.000 1.385 82 M HN 0.134 nan 8.290 nan 0.000 0.417 83 R N -0.412 120.087 120.500 -0.001 0.000 2.073 83 R HA -0.132 4.208 4.340 0.001 0.000 0.229 83 R C 2.127 178.422 176.300 -0.008 0.000 1.120 83 R CA 1.249 57.348 56.100 -0.001 0.000 0.967 83 R CB -0.182 30.117 30.300 -0.002 0.000 0.862 83 R HN 0.245 nan 8.270 nan 0.000 0.436 84 E N 0.484 120.674 120.200 -0.017 0.000 2.016 84 E HA -0.071 4.279 4.350 0.001 0.000 0.190 84 E C -0.291 176.289 176.600 -0.032 0.000 0.985 84 E CA 0.985 57.371 56.400 -0.024 0.000 0.802 84 E CB 0.292 29.974 29.700 -0.030 0.000 0.762 84 E HN 0.038 nan 8.360 nan 0.000 0.448 85 L N 0.614 121.808 121.223 -0.049 0.000 2.595 85 L HA 0.340 4.680 4.340 0.001 0.000 0.259 85 L C -2.471 174.346 176.870 -0.088 0.000 1.033 85 L CA -1.161 53.639 54.840 -0.065 0.000 0.901 85 L CB 2.059 44.059 42.059 -0.098 0.000 1.151 85 L HN -0.062 nan 8.230 nan 0.000 0.453 86 P HA -0.024 nan 4.420 nan 0.000 0.225 86 P C -0.611 176.679 177.300 -0.018 0.000 1.156 86 P CA 0.854 63.960 63.100 0.009 0.000 0.787 86 P CB 0.272 32.013 31.700 0.068 0.000 0.802 87 Y N -1.143 119.065 120.300 -0.153 0.000 2.480 87 Y HA 0.560 5.110 4.550 0.001 0.000 0.329 87 Y C -1.901 173.993 175.900 -0.011 0.000 1.127 87 Y CA -1.443 56.529 58.100 -0.214 0.000 1.037 87 Y CB 1.008 39.433 38.460 -0.057 0.000 1.320 87 Y HN -0.257 nan 8.280 nan 0.000 0.446 88 Y N 4.381 124.013 120.300 -1.114 0.000 2.609 88 Y HA 0.397 4.947 4.550 0.001 0.000 0.336 88 Y C -1.108 174.157 175.900 -1.058 0.000 1.129 88 Y CA -1.185 56.362 58.100 -0.920 0.000 1.040 88 Y CB 1.415 39.696 38.460 -0.298 0.000 1.310 88 Y HN 0.799 nan 8.280 nan 0.000 0.460 89 N N -0.899 116.857 118.700 -1.574 0.000 2.493 89 N HA 0.306 5.047 4.740 0.001 0.000 0.275 89 N C -0.093 175.221 175.510 -0.327 0.000 1.186 89 N CA 0.157 52.728 53.050 -0.797 0.000 0.978 89 N CB 1.314 39.260 38.487 -0.902 0.000 1.184 89 N HN 0.573 nan 8.380 nan 0.000 0.487 90 T N -3.237 111.299 114.554 -0.029 0.000 3.134 90 T HA 0.252 4.603 4.350 0.001 0.000 0.260 90 T C 0.447 175.184 174.700 0.061 0.000 1.027 90 T CA -0.246 61.847 62.100 -0.011 0.000 0.913 90 T CB -0.895 67.923 68.868 -0.084 0.000 1.046 90 T HN 0.493 nan 8.240 nan 0.000 0.553 91 F N 0.167 119.989 119.950 -0.213 0.000 2.530 91 F HA 0.354 4.882 4.527 0.002 0.000 0.292 91 F C 0.771 176.679 175.800 0.181 0.000 1.109 91 F CA -0.312 57.643 58.000 -0.074 0.000 1.450 91 F CB 0.276 39.177 39.000 -0.165 0.000 1.114 91 F HN 0.169 nan 8.300 nan 0.000 0.560 92 F N 1.680 121.751 119.950 0.203 0.000 2.974 92 F HA 0.245 4.772 4.527 0.001 0.000 0.292 92 F C 0.552 176.424 175.800 0.119 0.000 1.209 92 F CA -1.109 56.982 58.000 0.152 0.000 1.366 92 F CB -1.328 37.769 39.000 0.162 0.000 1.033 92 F HN -0.093 nan 8.300 nan 0.000 0.516 93 K N 0.015 120.571 120.400 0.260 0.000 3.035 93 K HA -0.195 4.126 4.320 0.001 0.000 0.262 93 K C 0.092 176.783 176.600 0.151 0.000 1.024 93 K CA 0.958 57.339 56.287 0.156 0.000 0.748 93 K CB -1.955 30.617 32.500 0.120 0.000 1.247 93 K HN 0.514 nan 8.250 nan 0.000 0.482 94 T N -3.592 111.064 114.554 0.170 0.000 2.916 94 T HA 0.674 5.025 4.350 0.001 0.000 0.292 94 T C -0.134 174.609 174.700 0.071 0.000 1.055 94 T CA -0.575 61.623 62.100 0.163 0.000 1.009 94 T CB 2.816 71.887 68.868 0.339 0.000 1.118 94 T HN 0.109 nan 8.240 nan 0.000 0.497 95 T N -0.180 114.392 114.554 0.030 0.000 2.681 95 T HA 0.690 5.041 4.350 0.001 0.000 0.296 95 T C -1.904 172.746 174.700 -0.083 0.000 1.157 95 T CA -0.636 61.398 62.100 -0.110 0.000 1.025 95 T CB 1.181 69.986 68.868 -0.106 0.000 1.441 95 T HN 1.155 nan 8.240 nan 0.000 0.504 96 H N -1.639 117.428 119.070 -0.005 0.000 2.977 96 H HA 0.673 5.230 4.556 0.001 0.000 0.350 96 H C 0.648 175.958 175.328 -0.031 0.000 1.238 96 H CA -0.698 55.332 56.048 -0.030 0.000 1.124 96 H CB 0.301 30.028 29.762 -0.058 0.000 1.866 96 H HN 0.206 nan 8.280 nan 0.000 0.550 97 V N 0.646 120.656 119.914 0.160 0.000 2.358 97 V HA -0.079 4.042 4.120 0.001 0.000 0.246 97 V C -1.045 175.116 176.094 0.113 0.000 1.047 97 V CA 1.805 64.157 62.300 0.088 0.000 1.035 97 V CB -1.522 30.328 31.823 0.046 0.000 0.658 97 V HN 0.659 nan 8.190 nan 0.000 0.452 98 P HA -0.182 nan 4.420 nan 0.000 0.216 98 P C 1.722 179.078 177.300 0.093 0.000 1.153 98 P CA 2.085 65.248 63.100 0.106 0.000 0.858 98 P CB -0.138 31.574 31.700 0.020 0.000 0.789 99 A N -0.788 122.107 122.820 0.125 0.000 1.902 99 A HA -0.184 4.136 4.320 0.001 0.000 0.217 99 A C 2.204 179.830 177.584 0.070 0.000 1.181 99 A CA 1.471 53.461 52.037 -0.079 0.000 0.623 99 A CB -1.595 17.207 19.000 -0.329 0.000 0.818 99 A HN 0.107 nan 8.150 nan 0.000 0.443 100 I N -0.230 120.361 120.570 0.035 0.000 2.127 100 I HA -0.306 3.865 4.170 0.001 0.000 0.241 100 I C 2.994 179.150 176.117 0.065 0.000 1.075 100 I CA 1.277 62.607 61.300 0.049 0.000 1.334 100 I CB -0.441 37.572 38.000 0.022 0.000 1.040 100 I HN 0.357 nan 8.210 nan 0.000 0.405 101 A N 0.557 123.410 122.820 0.054 0.000 1.898 101 A HA -0.193 4.128 4.320 0.001 0.000 0.216 101 A C 2.247 179.870 177.584 0.066 0.000 1.181 101 A CA 1.480 53.544 52.037 0.045 0.000 0.620 101 A CB -0.765 18.253 19.000 0.030 0.000 0.819 101 A HN 0.388 nan 8.150 nan 0.000 0.442 102 L N -0.276 121.003 121.223 0.095 0.000 2.056 102 L HA -0.001 4.340 4.340 0.001 0.000 0.207 102 L C 2.646 179.657 176.870 0.235 0.000 1.078 102 L CA 2.165 57.092 54.840 0.146 0.000 0.749 102 L CB -0.791 41.342 42.059 0.122 0.000 0.901 102 L HN 0.324 nan 8.230 nan 0.000 0.433 103 A N -1.095 121.914 122.820 0.315 0.000 1.902 103 A HA -0.261 4.060 4.320 0.001 0.000 0.217 103 A C 2.317 179.939 177.584 0.063 0.000 1.181 103 A CA 1.743 53.903 52.037 0.205 0.000 0.623 103 A CB -0.763 18.336 19.000 0.165 0.000 0.818 103 A HN 0.647 nan 8.150 nan 0.000 0.443 104 Q N -0.201 119.627 119.800 0.047 0.000 2.124 104 Q HA -0.247 4.094 4.340 0.001 0.000 0.202 104 Q C 2.076 178.070 176.000 -0.011 0.000 0.977 104 Q CA 2.139 57.940 55.803 -0.003 0.000 0.850 104 Q CB -0.128 28.609 28.738 -0.002 0.000 0.901 104 Q HN 0.620 nan 8.270 nan 0.000 0.429 105 K N 0.278 120.686 120.400 0.013 0.000 2.057 105 K HA -0.074 4.247 4.320 0.001 0.000 0.206 105 K C 2.182 178.771 176.600 -0.019 0.000 1.050 105 K CA 0.913 57.192 56.287 -0.013 0.000 0.935 105 K CB -0.230 32.270 32.500 0.000 0.000 0.715 105 K HN 0.222 nan 8.250 nan 0.000 0.439 106 L N 0.254 121.506 121.223 0.048 0.000 2.042 106 L HA -0.163 4.177 4.340 0.001 0.000 0.210 106 L C 2.536 179.399 176.870 -0.011 0.000 1.076 106 L CA 1.329 56.217 54.840 0.080 0.000 0.749 106 L CB -0.670 41.480 42.059 0.152 0.000 0.893 106 L HN 0.302 nan 8.230 nan 0.000 0.432 107 A N -0.254 122.536 122.820 -0.051 0.000 1.902 107 A HA -0.268 4.052 4.320 0.001 0.000 0.217 107 A C 2.298 179.822 177.584 -0.099 0.000 1.181 107 A CA 1.920 53.896 52.037 -0.101 0.000 0.623 107 A CB -0.533 18.386 19.000 -0.135 0.000 0.818 107 A HN 0.495 nan 8.150 nan 0.000 0.443 108 E N -0.156 119.990 120.200 -0.089 0.000 2.077 108 E HA -0.155 4.196 4.350 0.001 0.000 0.193 108 E C 1.853 178.373 176.600 -0.133 0.000 0.989 108 E CA 1.166 57.507 56.400 -0.098 0.000 0.800 108 E CB -0.186 29.460 29.700 -0.090 0.000 0.746 108 E HN 0.640 nan 8.360 nan 0.000 0.452 109 L N 0.632 121.745 121.223 -0.184 0.000 2.240 109 L HA 0.079 4.420 4.340 0.001 0.000 0.211 109 L C 1.229 178.079 176.870 -0.034 0.000 1.106 109 L CA 0.113 54.772 54.840 -0.301 0.000 0.793 109 L CB -0.214 41.502 42.059 -0.571 0.000 0.927 109 L HN 0.064 nan 8.230 nan 0.000 0.446 110 A N 1.026 123.819 122.820 -0.044 0.000 2.388 110 A HA 0.431 4.752 4.320 0.001 0.000 0.257 110 A C -2.094 175.415 177.584 -0.125 0.000 1.095 110 A CA -1.134 50.795 52.037 -0.179 0.000 0.791 110 A CB -0.269 18.531 19.000 -0.333 0.000 1.029 110 A HN -0.053 nan 8.150 nan 0.000 0.489 111 P HA 0.413 nan 4.420 nan 0.000 0.276 111 P C 0.886 178.125 177.300 -0.103 0.000 1.261 111 P CA 1.057 64.112 63.100 -0.075 0.000 0.800 111 P CB 0.520 32.187 31.700 -0.055 0.000 1.066 112 G N 1.932 110.688 108.800 -0.073 0.000 2.582 112 G HA2 -0.267 3.694 3.960 0.001 0.000 0.288 112 G HA3 -0.267 3.694 3.960 0.001 0.000 0.288 112 G C 0.042 174.898 174.900 -0.073 0.000 1.247 112 G CA 0.720 45.776 45.100 -0.074 0.000 0.972 112 G HN 0.746 nan 8.290 nan 0.000 0.557 113 D N 0.499 120.856 120.400 -0.071 0.000 2.722 113 D HA 0.271 4.911 4.640 0.001 0.000 0.239 113 D C 0.835 177.107 176.300 -0.047 0.000 1.249 113 D CA -0.332 53.638 54.000 -0.051 0.000 0.830 113 D CB -0.491 40.294 40.800 -0.025 0.000 1.025 113 D HN 0.485 nan 8.370 nan 0.000 0.486 114 L N 1.031 122.200 121.223 -0.090 0.000 2.448 114 L HA 0.210 4.551 4.340 0.001 0.000 0.278 114 L C 0.705 177.510 176.870 -0.108 0.000 1.201 114 L CA -0.199 54.581 54.840 -0.101 0.000 1.036 114 L CB -0.089 41.861 42.059 -0.181 0.000 1.325 114 L HN -0.047 nan 8.230 nan 0.000 0.441 115 N N 0.003 118.653 118.700 -0.084 0.000 2.159 115 N HA 0.136 4.877 4.740 0.001 0.000 0.217 115 N C -0.132 175.080 175.510 -0.497 0.000 1.223 115 N CA 0.030 52.913 53.050 -0.278 0.000 0.896 115 N CB 0.682 38.960 38.487 -0.348 0.000 1.064 115 N HN 0.480 nan 8.380 nan 0.000 0.518 116 H N -0.379 118.647 119.070 -0.074 0.000 2.690 116 H HA 0.510 5.067 4.556 0.001 0.000 0.368 116 H C -0.762 174.500 175.328 -0.108 0.000 1.150 116 H CA -0.620 55.384 56.048 -0.074 0.000 1.174 116 H CB 2.693 32.425 29.762 -0.050 0.000 1.684 116 H HN -0.325 nan 8.280 nan 0.000 0.538 117 V N 3.069 122.944 119.914 -0.065 0.000 2.588 117 V HA 0.204 4.325 4.120 0.001 0.000 0.304 117 V C -0.750 175.159 176.094 -0.309 0.000 1.042 117 V CA -0.785 61.357 62.300 -0.264 0.000 0.877 117 V CB 2.109 33.604 31.823 -0.548 0.000 0.996 117 V HN 0.573 nan 8.190 nan 0.000 0.425 118 F N 4.913 124.699 119.950 -0.273 0.000 2.388 118 F HA 0.708 5.235 4.527 0.001 0.000 0.358 118 F C -0.436 175.290 175.800 -0.124 0.000 1.122 118 F CA -0.576 57.346 58.000 -0.131 0.000 1.056 118 F CB 0.774 39.814 39.000 0.067 0.000 1.155 118 F HN 0.365 nan 8.300 nan 0.000 0.461 119 F N 4.158 124.113 119.950 0.008 0.000 2.371 119 F HA 0.690 5.218 4.527 0.001 0.000 0.329 119 F C 0.523 176.533 175.800 0.350 0.000 1.107 119 F CA -0.158 57.938 58.000 0.161 0.000 1.137 119 F CB 1.089 40.128 39.000 0.065 0.000 1.214 119 F HN 0.554 nan 8.300 nan 0.000 0.536 120 A N 0.741 123.900 122.820 0.565 0.000 2.535 120 A HA 0.640 4.961 4.320 0.001 0.000 0.296 120 A C 0.774 178.514 177.584 0.260 0.000 1.248 120 A CA -0.077 52.239 52.037 0.465 0.000 0.686 120 A CB 0.408 19.669 19.000 0.434 0.000 1.315 120 A HN 0.793 nan 8.150 nan 0.000 0.460 121 G N -1.502 107.339 108.800 0.068 0.000 2.603 121 G HA2 0.481 4.442 3.960 0.001 0.000 0.214 121 G HA3 0.481 4.442 3.960 0.001 0.000 0.214 121 G C 0.672 175.615 174.900 0.071 0.000 1.140 121 G CA 1.234 46.376 45.100 0.069 0.000 0.800 121 G HN 1.905 nan 8.290 nan 0.000 0.533 122 G N -2.004 106.843 108.800 0.078 0.000 2.341 122 G HA2 0.431 4.392 3.960 0.001 0.000 0.299 122 G HA3 0.431 4.392 3.960 0.001 0.000 0.299 122 G C 0.721 175.694 174.900 0.122 0.000 1.274 122 G CA 0.286 45.448 45.100 0.103 0.000 0.853 122 G HN 0.465 nan 8.290 nan 0.000 0.493 123 G N -0.073 108.808 108.800 0.135 0.000 2.394 123 G HA2 0.084 4.044 3.960 0.001 0.000 0.215 123 G HA3 0.084 4.044 3.960 0.001 0.000 0.215 123 G C 1.922 176.899 174.900 0.129 0.000 1.165 123 G CA 2.120 47.308 45.100 0.147 0.000 0.784 123 G HN 0.779 nan 8.290 nan 0.000 0.535 124 S N 0.700 116.469 115.700 0.115 0.000 2.353 124 S HA -0.119 4.351 4.470 0.001 0.000 0.222 124 S C 2.112 176.767 174.600 0.093 0.000 1.035 124 S CA 1.446 59.703 58.200 0.095 0.000 1.025 124 S CB -0.319 62.938 63.200 0.095 0.000 0.902 124 S HN 0.543 nan 8.310 nan 0.000 0.440 125 E N 0.981 121.209 120.200 0.046 0.000 2.118 125 E HA -0.137 4.214 4.350 0.001 0.000 0.195 125 E C 2.269 179.005 176.600 0.225 0.000 0.992 125 E CA 1.007 57.409 56.400 0.003 0.000 0.804 125 E CB -0.225 29.221 29.700 -0.422 0.000 0.741 125 E HN 0.524 nan 8.360 nan 0.000 0.458 126 A N 1.322 124.262 122.820 0.201 0.000 1.968 126 A HA -0.139 4.182 4.320 0.001 0.000 0.217 126 A C 1.844 179.527 177.584 0.165 0.000 1.169 126 A CA 1.029 53.214 52.037 0.246 0.000 0.638 126 A CB -0.204 18.925 19.000 0.216 0.000 0.812 126 A HN 0.117 nan 8.150 nan 0.000 0.446 127 N N 0.314 119.088 118.700 0.123 0.000 2.270 127 N HA -0.097 4.644 4.740 0.001 0.000 0.181 127 N C 0.951 176.496 175.510 0.057 0.000 1.016 127 N CA 1.412 54.498 53.050 0.061 0.000 0.870 127 N CB -0.352 38.161 38.487 0.044 0.000 0.979 127 N HN 0.484 nan 8.380 nan 0.000 0.431 128 D N -0.364 120.110 120.400 0.122 0.000 2.117 128 D HA -0.073 4.568 4.640 0.001 0.000 0.197 128 D C 1.702 178.019 176.300 0.029 0.000 0.987 128 D CA 1.222 55.299 54.000 0.128 0.000 0.829 128 D CB -0.283 40.664 40.800 0.244 0.000 0.961 128 D HN 0.173 nan 8.370 nan 0.000 0.460 129 T N 0.824 115.427 114.554 0.082 0.000 2.665 129 T HA -0.181 4.170 4.350 0.001 0.000 0.268 129 T C 1.573 176.165 174.700 -0.180 0.000 1.035 129 T CA 1.325 63.301 62.100 -0.207 0.000 1.151 129 T CB -0.341 68.555 68.868 0.047 0.000 0.862 129 T HN 0.132 nan 8.240 nan 0.000 0.438 130 N N 1.088 119.744 118.700 -0.074 0.000 2.120 130 N HA 0.013 4.753 4.740 0.001 0.000 0.188 130 N C 1.917 177.372 175.510 -0.092 0.000 1.024 130 N CA 0.940 53.936 53.050 -0.090 0.000 0.852 130 N CB -0.533 37.916 38.487 -0.063 0.000 1.003 130 N HN 0.397 nan 8.380 nan 0.000 0.424 131 I N 1.105 121.635 120.570 -0.067 0.000 2.179 131 I HA -0.244 3.927 4.170 0.001 0.000 0.242 131 I C 2.328 178.421 176.117 -0.040 0.000 1.088 131 I CA 1.143 62.417 61.300 -0.043 0.000 1.357 131 I CB -0.148 37.838 38.000 -0.023 0.000 1.051 131 I HN 0.098 nan 8.210 nan 0.000 0.409 132 R N 0.029 120.484 120.500 -0.074 0.000 2.092 132 R HA -0.154 4.187 4.340 0.001 0.000 0.231 132 R C 2.314 178.626 176.300 0.019 0.000 1.119 132 R CA 1.425 57.507 56.100 -0.030 0.000 0.970 132 R CB -0.301 29.905 30.300 -0.156 0.000 0.864 132 R HN 0.400 nan 8.270 nan 0.000 0.440 133 M N 1.001 120.534 119.600 -0.111 0.000 2.156 133 M HA -0.130 4.350 4.480 0.001 0.000 0.264 133 M C 2.238 178.396 176.300 -0.236 0.000 1.067 133 M CA 1.530 56.615 55.300 -0.358 0.000 1.131 133 M CB 0.110 32.439 32.600 -0.452 0.000 1.368 133 M HN 0.095 nan 8.290 nan 0.000 0.416 134 V N -1.354 118.476 119.914 -0.141 0.000 2.427 134 V HA -0.181 3.940 4.120 0.001 0.000 0.248 134 V C 2.076 178.222 176.094 0.087 0.000 1.051 134 V CA 1.727 63.978 62.300 -0.082 0.000 1.048 134 V CB -1.134 30.680 31.823 -0.017 0.000 0.666 134 V HN 0.474 nan 8.190 nan 0.000 0.456 135 R N 0.457 121.012 120.500 0.092 0.000 2.073 135 R HA -0.044 4.297 4.340 0.001 0.000 0.229 135 R C 2.538 178.900 176.300 0.102 0.000 1.120 135 R CA 1.905 58.092 56.100 0.146 0.000 0.967 135 R CB -0.908 29.446 30.300 0.090 0.000 0.862 135 R HN 0.572 nan 8.270 nan 0.000 0.436 136 T N 0.612 115.185 114.554 0.032 0.000 2.720 136 T HA -0.223 4.128 4.350 0.001 0.000 0.268 136 T C 1.436 176.089 174.700 -0.077 0.000 1.037 136 T CA 1.487 63.581 62.100 -0.010 0.000 1.144 136 T CB -0.430 68.426 68.868 -0.020 0.000 0.864 136 T HN 0.319 nan 8.240 nan 0.000 0.444 137 Y N 0.365 120.497 120.300 -0.279 0.000 2.114 137 Y HA -0.252 4.299 4.550 0.001 0.000 0.282 137 Y C 1.977 177.675 175.900 -0.337 0.000 1.165 137 Y CA 1.285 59.143 58.100 -0.405 0.000 1.148 137 Y CB -0.576 37.518 38.460 -0.609 0.000 0.972 137 Y HN 0.293 nan 8.280 nan 0.000 0.504 138 W N 0.662 121.923 121.300 -0.066 0.000 2.402 138 W HA -0.129 4.531 4.660 0.001 0.000 0.286 138 W C 2.492 178.912 176.519 -0.165 0.000 1.221 138 W CA 1.154 58.409 57.345 -0.151 0.000 1.257 138 W CB -0.300 29.155 29.460 -0.008 0.000 1.120 138 W HN 0.134 nan 8.180 nan 0.000 0.551 139 Q N 0.126 119.968 119.800 0.071 0.000 2.084 139 Q HA -0.195 4.146 4.340 0.001 0.000 0.202 139 Q C 1.749 177.714 176.000 -0.058 0.000 0.978 139 Q CA 1.380 57.191 55.803 0.013 0.000 0.844 139 Q CB -0.511 28.234 28.738 0.012 0.000 0.898 139 Q HN 0.261 nan 8.270 nan 0.000 0.426 140 N N 0.324 118.941 118.700 -0.138 0.000 2.396 140 N HA -0.080 4.661 4.740 0.001 0.000 0.180 140 N C 1.008 176.387 175.510 -0.217 0.000 1.028 140 N CA 0.833 53.776 53.050 -0.177 0.000 0.893 140 N CB 0.112 38.465 38.487 -0.223 0.000 0.967 140 N HN 0.113 nan 8.380 nan 0.000 0.440 141 K N -0.305 119.928 120.400 -0.278 0.000 2.487 141 K HA 0.167 4.487 4.320 0.001 0.000 0.192 141 K C 0.778 177.341 176.600 -0.061 0.000 1.027 141 K CA 0.389 56.544 56.287 -0.220 0.000 1.054 141 K CB 0.221 32.550 32.500 -0.285 0.000 0.824 141 K HN 0.236 nan 8.250 nan 0.000 0.510 142 G N 1.912 110.690 108.800 -0.037 0.000 2.132 142 G HA2 -0.260 3.701 3.960 0.001 0.000 0.234 142 G HA3 -0.260 3.701 3.960 0.001 0.000 0.234 142 G C -0.077 174.834 174.900 0.018 0.000 0.989 142 G CA -0.160 44.935 45.100 -0.008 0.000 0.676 142 G HN 0.413 nan 8.290 nan 0.000 0.522 143 Q N -0.167 119.668 119.800 0.057 0.000 2.773 143 Q HA 0.228 4.569 4.340 0.001 0.000 0.373 143 Q C -1.690 174.339 176.000 0.049 0.000 0.940 143 Q CA -1.560 54.270 55.803 0.045 0.000 1.015 143 Q CB 1.717 30.483 28.738 0.047 0.000 1.349 143 Q HN 0.329 nan 8.270 nan 0.000 0.413 144 P HA -0.175 nan 4.420 nan 0.000 0.228 144 P C 0.719 178.023 177.300 0.007 0.000 1.151 144 P CA 1.008 64.126 63.100 0.029 0.000 0.770 144 P CB 0.460 32.169 31.700 0.014 0.000 0.786 145 E N 0.293 120.479 120.200 -0.023 0.000 2.208 145 E HA -0.048 4.302 4.350 0.001 0.000 0.193 145 E C 0.377 176.929 176.600 -0.079 0.000 0.988 145 E CA 0.380 56.752 56.400 -0.048 0.000 0.828 145 E CB 0.046 29.707 29.700 -0.064 0.000 0.763 145 E HN 0.256 nan 8.360 nan 0.000 0.478 146 K N 1.286 121.614 120.400 -0.120 0.000 2.228 146 K HA 0.015 4.336 4.320 0.001 0.000 0.284 146 K C 0.547 177.100 176.600 -0.079 0.000 1.088 146 K CA 0.402 56.554 56.287 -0.226 0.000 0.941 146 K CB 0.822 32.958 32.500 -0.608 0.000 1.158 146 K HN 0.136 nan 8.250 nan 0.000 0.438 147 T N -2.877 111.645 114.554 -0.054 0.000 2.969 147 T HA 0.070 4.420 4.350 0.001 0.000 0.258 147 T C 0.655 175.355 174.700 -0.001 0.000 0.962 147 T CA -0.224 61.880 62.100 0.005 0.000 0.903 147 T CB 0.269 69.140 68.868 0.005 0.000 1.177 147 T HN 0.093 nan 8.240 nan 0.000 0.511 148 V N 2.796 122.690 119.914 -0.033 0.000 2.555 148 V HA 0.410 4.531 4.120 0.001 0.000 0.286 148 V C 0.021 176.113 176.094 -0.003 0.000 1.044 148 V CA -0.470 61.816 62.300 -0.024 0.000 1.026 148 V CB 0.744 32.537 31.823 -0.050 0.000 0.981 148 V HN 0.438 nan 8.190 nan 0.000 0.480 149 I N 5.896 126.467 120.570 0.002 0.000 2.362 149 I HA 0.444 4.615 4.170 0.001 0.000 0.289 149 I C -0.251 175.869 176.117 0.006 0.000 0.994 149 I CA -0.273 61.030 61.300 0.005 0.000 1.158 149 I CB 1.534 39.519 38.000 -0.025 0.000 1.315 149 I HN 0.438 nan 8.210 nan 0.000 0.451 150 I N 5.398 126.018 120.570 0.084 0.000 2.353 150 I HA 0.383 4.554 4.170 0.001 0.000 0.293 150 I C 0.394 176.590 176.117 0.132 0.000 0.992 150 I CA 0.257 61.660 61.300 0.172 0.000 1.268 150 I CB 1.673 39.859 38.000 0.310 0.000 1.387 150 I HN 0.591 nan 8.210 nan 0.000 0.478 151 S N 5.587 121.304 115.700 0.028 0.000 3.144 151 S HA 0.674 5.144 4.470 0.001 0.000 0.325 151 S C -0.910 173.809 174.600 0.198 0.000 1.161 151 S CA -0.750 57.454 58.200 0.007 0.000 0.920 151 S CB 1.563 64.725 63.200 -0.064 0.000 1.340 151 S HN 0.605 nan 8.310 nan 0.000 0.681 152 R N 0.636 121.320 120.500 0.307 0.000 2.725 152 R HA 0.447 4.788 4.340 0.001 0.000 0.277 152 R C -1.214 175.290 176.300 0.341 0.000 0.987 152 R CA -0.919 55.373 56.100 0.321 0.000 0.901 152 R CB 1.617 32.073 30.300 0.260 0.000 1.207 152 R HN 0.486 nan 8.270 nan 0.000 0.463 153 K N 1.610 122.141 120.400 0.219 0.000 2.485 153 K HA -0.081 4.240 4.320 0.001 0.000 0.277 153 K C 0.442 177.097 176.600 0.092 0.000 0.990 153 K CA 0.397 56.746 56.287 0.104 0.000 0.994 153 K CB 0.118 32.658 32.500 0.067 0.000 0.906 153 K HN 0.640 nan 8.250 nan 0.000 0.488 154 N N -0.322 118.407 118.700 0.049 0.000 2.828 154 N HA -0.215 4.525 4.740 0.001 0.000 0.248 154 N C -0.879 174.659 175.510 0.048 0.000 1.044 154 N CA 1.005 54.081 53.050 0.044 0.000 0.851 154 N CB -0.878 37.641 38.487 0.053 0.000 1.136 154 N HN 0.695 nan 8.380 nan 0.000 0.572 155 A N -0.296 122.559 122.820 0.058 0.000 2.366 155 A HA 0.473 4.794 4.320 0.001 0.000 0.249 155 A C -0.314 177.220 177.584 -0.084 0.000 1.084 155 A CA 0.096 52.109 52.037 -0.039 0.000 0.794 155 A CB 0.290 19.291 19.000 0.002 0.000 1.034 155 A HN 0.453 nan 8.150 nan 0.000 0.491 156 Y N 0.331 120.388 120.300 -0.405 0.000 2.346 156 Y HA 0.481 5.031 4.550 0.001 0.000 0.332 156 Y C 0.142 175.762 175.900 -0.466 0.000 0.985 156 Y CA -0.477 57.438 58.100 -0.308 0.000 1.112 156 Y CB 1.433 39.766 38.460 -0.212 0.000 1.170 156 Y HN 0.781 nan 8.280 nan 0.000 0.447 157 H N 3.536 122.324 119.070 -0.471 0.000 3.233 157 H HA 0.479 5.036 4.556 0.001 0.000 0.263 157 H C 0.679 175.838 175.328 -0.280 0.000 1.168 157 H CA 0.476 56.382 56.048 -0.236 0.000 1.159 157 H CB 1.175 30.876 29.762 -0.102 0.000 1.593 157 H HN 0.879 nan 8.280 nan 0.000 0.580 158 G N 0.189 108.631 108.800 -0.597 0.000 2.315 158 G HA2 -0.091 3.869 3.960 0.001 0.000 0.296 158 G HA3 -0.091 3.869 3.960 0.001 0.000 0.296 158 G C -0.286 174.504 174.900 -0.183 0.000 1.289 158 G CA 0.017 44.980 45.100 -0.228 0.000 0.996 158 G HN 0.055 nan 8.290 nan 0.000 0.487 159 S N -0.675 115.070 115.700 0.074 0.000 2.960 159 S HA 0.405 4.876 4.470 0.001 0.000 0.256 159 S C 1.092 175.750 174.600 0.097 0.000 1.017 159 S CA 1.321 59.610 58.200 0.148 0.000 1.144 159 S CB -0.580 62.813 63.200 0.321 0.000 1.109 159 S HN 1.759 nan 8.310 nan 0.000 0.638 160 T N -0.611 113.992 114.554 0.081 0.000 2.726 160 T HA 0.348 4.699 4.350 0.001 0.000 0.294 160 T C 1.612 176.356 174.700 0.072 0.000 1.013 160 T CA -0.167 61.979 62.100 0.077 0.000 0.996 160 T CB 0.460 69.381 68.868 0.089 0.000 1.016 160 T HN -0.061 nan 8.240 nan 0.000 0.529 161 V N 1.375 121.331 119.914 0.070 0.000 2.287 161 V HA -0.140 3.981 4.120 0.001 0.000 0.248 161 V C 3.071 179.208 176.094 0.072 0.000 1.053 161 V CA 2.395 64.735 62.300 0.068 0.000 1.027 161 V CB -1.641 30.217 31.823 0.058 0.000 0.646 161 V HN 1.072 nan 8.190 nan 0.000 0.447 162 A N -1.185 121.677 122.820 0.069 0.000 1.968 162 A HA -0.130 4.191 4.320 0.001 0.000 0.217 162 A C 2.463 180.085 177.584 0.064 0.000 1.169 162 A CA 1.820 53.893 52.037 0.061 0.000 0.638 162 A CB -0.491 18.543 19.000 0.055 0.000 0.812 162 A HN 0.467 nan 8.150 nan 0.000 0.446 163 S N 0.019 115.758 115.700 0.065 0.000 2.387 163 S HA -0.086 4.385 4.470 0.001 0.000 0.226 163 S C 2.281 176.913 174.600 0.052 0.000 1.026 163 S CA 1.286 59.518 58.200 0.054 0.000 0.972 163 S CB -0.225 63.000 63.200 0.041 0.000 0.814 163 S HN 0.631 nan 8.310 nan 0.000 0.477 164 S N 1.784 117.524 115.700 0.066 0.000 2.374 164 S HA -0.137 4.334 4.470 0.001 0.000 0.227 164 S C 2.199 176.945 174.600 0.245 0.000 1.037 164 S CA 1.120 59.391 58.200 0.117 0.000 1.024 164 S CB -0.483 62.800 63.200 0.139 0.000 0.861 164 S HN 0.618 nan 8.310 nan 0.000 0.456 165 A N 1.488 124.419 122.820 0.185 0.000 1.898 165 A HA 0.008 4.329 4.320 0.001 0.000 0.216 165 A C 2.106 179.839 177.584 0.249 0.000 1.181 165 A CA 1.121 53.250 52.037 0.153 0.000 0.620 165 A CB -0.740 18.296 19.000 0.060 0.000 0.819 165 A HN 0.460 nan 8.150 nan 0.000 0.442 166 L N -0.170 121.167 121.223 0.190 0.000 2.079 166 L HA -0.076 4.265 4.340 0.001 0.000 0.210 166 L C 1.923 179.081 176.870 0.479 0.000 1.081 166 L CA 0.435 55.400 54.840 0.208 0.000 0.752 166 L CB -1.208 40.879 42.059 0.046 0.000 0.896 166 L HN 0.475 nan 8.230 nan 0.000 0.433 167 G N -0.882 108.152 108.800 0.390 0.000 2.667 167 G HA2 0.308 4.269 3.960 0.001 0.000 0.250 167 G HA3 0.308 4.269 3.960 0.001 0.000 0.250 167 G C 0.544 175.645 174.900 0.335 0.000 1.212 167 G CA 0.133 45.378 45.100 0.241 0.000 0.874 167 G HN 0.294 nan 8.290 nan 0.000 0.561 168 G N -0.141 108.728 108.800 0.115 0.000 4.222 168 G HA2 0.387 4.348 3.960 0.001 0.000 0.301 168 G HA3 0.387 4.348 3.960 0.001 0.000 0.301 168 G C 0.262 175.042 174.900 -0.200 0.000 1.171 168 G CA -0.428 44.656 45.100 -0.026 0.000 0.937 168 G HN 0.300 nan 8.290 nan 0.000 0.557 169 M N 1.621 121.000 119.600 -0.369 0.000 2.055 169 M HA 0.388 4.869 4.480 0.001 0.000 0.347 169 M C 1.369 177.362 176.300 -0.512 0.000 1.123 169 M CA -1.405 53.727 55.300 -0.280 0.000 1.035 169 M CB 0.751 33.320 32.600 -0.050 0.000 1.484 169 M HN 0.152 nan 8.290 nan 0.000 0.428 170 A N 3.422 126.059 122.820 -0.306 0.000 1.927 170 A HA -0.114 4.207 4.320 0.001 0.000 0.220 170 A C 2.009 179.538 177.584 -0.090 0.000 1.185 170 A CA 2.452 54.387 52.037 -0.170 0.000 0.639 170 A CB -1.045 17.928 19.000 -0.045 0.000 0.820 170 A HN 0.907 nan 8.150 nan 0.000 0.451 171 G N -1.050 107.718 108.800 -0.054 0.000 2.432 171 G HA2 -0.162 3.798 3.960 0.001 0.000 0.219 171 G HA3 -0.162 3.798 3.960 0.001 0.000 0.219 171 G C 1.592 176.499 174.900 0.012 0.000 1.135 171 G CA 1.174 46.276 45.100 0.002 0.000 0.767 171 G HN 0.524 nan 8.290 nan 0.000 0.550 172 M N -0.588 119.003 119.600 -0.015 0.000 2.193 172 M HA 0.083 4.564 4.480 0.001 0.000 0.265 172 M C 2.246 178.596 176.300 0.083 0.000 1.071 172 M CA 0.987 56.306 55.300 0.033 0.000 1.140 172 M CB -0.454 32.194 32.600 0.079 0.000 1.369 172 M HN 0.306 nan 8.290 nan 0.000 0.423 173 H N 0.305 119.398 119.070 0.038 0.000 2.353 173 H HA -0.122 4.435 4.556 0.001 0.000 0.298 173 H C 2.174 177.514 175.328 0.021 0.000 1.103 173 H CA 1.077 57.139 56.048 0.024 0.000 1.293 173 H CB -0.116 29.647 29.762 0.001 0.000 1.372 173 H HN 0.466 nan 8.280 nan 0.000 0.501 174 A N 0.774 123.673 122.820 0.130 0.000 2.172 174 A HA -0.114 4.207 4.320 0.001 0.000 0.216 174 A C 1.147 178.763 177.584 0.054 0.000 1.154 174 A CA 0.880 52.963 52.037 0.076 0.000 0.701 174 A CB 0.006 19.036 19.000 0.050 0.000 0.789 174 A HN 0.465 nan 8.150 nan 0.000 0.465 175 Q N -0.374 119.458 119.800 0.052 0.000 2.842 175 Q HA 0.346 4.686 4.340 0.001 0.000 0.323 175 Q C 0.062 176.085 176.000 0.038 0.000 1.111 175 Q CA -0.012 55.809 55.803 0.030 0.000 1.047 175 Q CB 0.453 29.194 28.738 0.004 0.000 1.280 175 Q HN 0.412 nan 8.270 nan 0.000 0.475 176 S N 0.410 116.138 115.700 0.046 0.000 3.614 176 S HA -0.186 4.285 4.470 0.001 0.000 0.360 176 S C 0.502 175.140 174.600 0.063 0.000 1.023 176 S CA 0.686 58.914 58.200 0.046 0.000 1.114 176 S CB -1.028 62.192 63.200 0.033 0.000 0.907 176 S HN 0.844 nan 8.310 nan 0.000 0.470 177 G N 0.823 109.682 108.800 0.098 0.000 4.125 177 G HA2 0.533 4.493 3.960 0.001 0.000 0.301 177 G HA3 0.533 4.493 3.960 0.001 0.000 0.301 177 G C -0.310 174.666 174.900 0.126 0.000 1.273 177 G CA -0.282 44.904 45.100 0.142 0.000 1.095 177 G HN 0.526 nan 8.290 nan 0.000 0.582 178 L N 0.774 122.028 121.223 0.053 0.000 2.388 178 L HA 0.723 5.063 4.340 0.001 0.000 0.264 178 L C -0.455 176.422 176.870 0.011 0.000 0.998 178 L CA -1.303 53.532 54.840 -0.007 0.000 0.817 178 L CB 2.632 44.672 42.059 -0.032 0.000 1.338 178 L HN 0.241 nan 8.230 nan 0.000 0.414 179 I N -0.813 119.759 120.570 0.003 0.000 2.894 179 I HA 0.667 4.838 4.170 0.001 0.000 0.302 179 I C -2.658 173.463 176.117 0.006 0.000 1.188 179 I CA -2.225 59.082 61.300 0.012 0.000 1.014 179 I CB 2.082 40.094 38.000 0.021 0.000 1.242 179 I HN 0.285 nan 8.210 nan 0.000 0.430 180 P HA 0.182 nan 4.420 nan 0.000 0.268 180 P C -0.961 176.344 177.300 0.008 0.000 1.208 180 P CA 0.429 63.535 63.100 0.009 0.000 0.777 180 P CB 0.195 31.901 31.700 0.009 0.000 0.875 181 D N -1.277 119.129 120.400 0.010 0.000 2.775 181 D HA -0.105 4.535 4.640 0.001 0.000 0.235 181 D C -0.807 175.495 176.300 0.003 0.000 1.120 181 D CA 0.668 54.672 54.000 0.007 0.000 0.708 181 D CB -1.606 39.194 40.800 0.000 0.000 1.084 181 D HN 0.029 nan 8.370 nan 0.000 0.434 182 V N 0.819 120.734 119.914 0.002 0.000 2.540 182 V HA 0.438 4.559 4.120 0.001 0.000 0.302 182 V C 0.184 176.267 176.094 -0.017 0.000 1.035 182 V CA -0.701 61.572 62.300 -0.045 0.000 0.873 182 V CB 2.669 34.444 31.823 -0.079 0.000 0.992 182 V HN 0.266 nan 8.190 nan 0.000 0.428 183 H N 3.425 122.390 119.070 -0.174 0.000 2.637 183 H HA 0.586 5.143 4.556 0.001 0.000 0.363 183 H C -1.539 173.672 175.328 -0.194 0.000 1.131 183 H CA -0.603 55.387 56.048 -0.097 0.000 1.183 183 H CB 1.893 31.633 29.762 -0.038 0.000 1.637 183 H HN 0.792 nan 8.280 nan 0.000 0.531 184 H N 4.573 123.387 119.070 -0.426 0.000 2.505 184 H HA 0.280 4.837 4.556 0.001 0.000 0.338 184 H C 0.488 175.696 175.328 -0.202 0.000 1.057 184 H CA -0.548 55.403 56.048 -0.161 0.000 1.202 184 H CB 1.554 31.282 29.762 -0.057 0.000 1.466 184 H HN 0.515 nan 8.280 nan 0.000 0.499 185 I N -0.944 119.698 120.570 0.120 0.000 3.204 185 I HA 0.466 4.637 4.170 0.001 0.000 0.313 185 I C 0.013 176.205 176.117 0.124 0.000 1.082 185 I CA -1.226 60.141 61.300 0.112 0.000 1.033 185 I CB 1.088 39.171 38.000 0.137 0.000 1.304 185 I HN 0.360 nan 8.210 nan 0.000 0.536 186 N N 1.931 120.683 118.700 0.087 0.000 2.482 186 N HA 0.091 4.832 4.740 0.001 0.000 0.260 186 N C -0.773 174.783 175.510 0.077 0.000 1.236 186 N CA -0.203 52.892 53.050 0.076 0.000 0.938 186 N CB 0.816 39.334 38.487 0.051 0.000 1.128 186 N HN 0.628 nan 8.380 nan 0.000 0.448 187 Q N 0.928 120.776 119.800 0.079 0.000 2.327 187 Q HA 0.349 4.690 4.340 0.001 0.000 0.254 187 Q C -2.274 173.736 176.000 0.016 0.000 0.952 187 Q CA -1.520 54.313 55.803 0.050 0.000 0.884 187 Q CB 0.676 29.462 28.738 0.080 0.000 1.224 187 Q HN 0.323 nan 8.270 nan 0.000 0.422 188 P HA 0.022 nan 4.420 nan 0.000 0.218 188 P C -1.039 176.446 177.300 0.309 0.000 1.793 188 P CA -0.065 62.970 63.100 -0.107 0.000 0.941 188 P CB -0.203 31.060 31.700 -0.728 0.000 1.919 189 N N 0.787 119.727 118.700 0.400 0.000 2.558 189 N HA 0.011 4.752 4.740 0.001 0.000 0.233 189 N C 0.645 176.281 175.510 0.209 0.000 1.038 189 N CA -0.652 52.581 53.050 0.304 0.000 0.934 189 N CB -0.005 38.601 38.487 0.199 0.000 1.175 189 N HN 0.168 nan 8.380 nan 0.000 0.512 190 W N 5.386 126.681 121.300 -0.007 0.000 2.355 190 W HA -0.066 4.594 4.660 0.001 0.000 0.309 190 W C 1.827 178.181 176.519 -0.276 0.000 1.206 190 W CA 0.921 57.944 57.345 -0.537 0.000 1.284 190 W CB -0.365 28.922 29.460 -0.289 0.000 1.145 190 W HN 0.627 nan 8.180 nan 0.000 0.502 191 W N 1.238 122.456 121.300 -0.137 0.000 2.318 191 W HA -0.321 4.340 4.660 0.001 0.000 0.313 191 W C 1.885 178.159 176.519 -0.409 0.000 1.221 191 W CA 3.238 60.411 57.345 -0.286 0.000 1.266 191 W CB -1.015 28.459 29.460 0.025 0.000 1.150 191 W HN 0.053 nan 8.180 nan 0.000 0.496 192 A N -0.121 122.622 122.820 -0.129 0.000 1.984 192 A HA -0.063 4.258 4.320 0.001 0.000 0.214 192 A C 1.606 179.025 177.584 -0.276 0.000 1.173 192 A CA 1.328 53.270 52.037 -0.158 0.000 0.673 192 A CB -0.370 18.673 19.000 0.072 0.000 0.830 192 A HN 0.443 nan 8.150 nan 0.000 0.453 193 E N -1.244 118.767 120.200 -0.314 0.000 2.641 193 E HA 0.136 4.486 4.350 0.001 0.000 0.224 193 E C 1.370 177.729 176.600 -0.403 0.000 0.951 193 E CA 0.303 56.573 56.400 -0.216 0.000 1.102 193 E CB 0.570 30.307 29.700 0.062 0.000 1.091 193 E HN 0.484 nan 8.360 nan 0.000 0.507 194 G N 0.997 109.214 108.800 -0.971 0.000 2.712 194 G HA2 0.165 4.126 3.960 0.001 0.000 0.212 194 G HA3 0.165 4.126 3.960 0.001 0.000 0.212 194 G C 1.052 175.616 174.900 -0.560 0.000 1.142 194 G CA 0.373 44.737 45.100 -1.227 0.000 0.789 194 G HN 0.381 nan 8.290 nan 0.000 0.535 195 G N 0.950 109.448 108.800 -0.504 0.000 2.651 195 G HA2 -0.356 3.605 3.960 0.001 0.000 0.315 195 G HA3 -0.356 3.605 3.960 0.001 0.000 0.315 195 G C 0.650 175.400 174.900 -0.249 0.000 1.258 195 G CA 0.636 45.553 45.100 -0.304 0.000 1.002 195 G HN 0.278 nan 8.290 nan 0.000 0.551 196 D N 1.247 121.596 120.400 -0.085 0.000 2.369 196 D HA 0.188 4.829 4.640 0.001 0.000 0.211 196 D C 1.484 177.849 176.300 0.108 0.000 1.077 196 D CA 0.042 54.045 54.000 0.005 0.000 0.842 196 D CB 0.013 40.813 40.800 0.000 0.000 0.947 196 D HN 0.406 nan 8.370 nan 0.000 0.509 197 M N 0.980 120.665 119.600 0.142 0.000 2.252 197 M HA -0.037 4.443 4.480 0.001 0.000 0.329 197 M C 0.487 176.991 176.300 0.341 0.000 1.101 197 M CA 0.153 55.595 55.300 0.236 0.000 1.117 197 M CB 0.310 33.096 32.600 0.311 0.000 1.563 197 M HN -0.169 nan 8.290 nan 0.000 0.445 198 D N 3.251 123.779 120.400 0.213 0.000 2.455 198 D HA 0.062 4.703 4.640 0.001 0.000 0.241 198 D C -1.812 174.537 176.300 0.081 0.000 1.138 198 D CA -1.109 52.956 54.000 0.109 0.000 0.877 198 D CB 0.951 41.790 40.800 0.065 0.000 1.187 198 D HN 0.200 nan 8.370 nan 0.000 0.451 199 P HA -0.174 nan 4.420 nan 0.000 0.216 199 P C 0.870 178.203 177.300 0.055 0.000 1.153 199 P CA 1.099 63.973 63.100 -0.376 0.000 0.858 199 P CB 0.158 31.415 31.700 -0.739 0.000 0.789 200 E N -0.399 119.812 120.200 0.018 0.000 2.106 200 E HA -0.162 4.188 4.350 0.001 0.000 0.192 200 E C 1.936 178.605 176.600 0.114 0.000 0.984 200 E CA 0.953 57.397 56.400 0.073 0.000 0.806 200 E CB -0.647 29.075 29.700 0.036 0.000 0.750 200 E HN 0.330 nan 8.360 nan 0.000 0.458 201 E N 0.222 120.497 120.200 0.126 0.000 2.106 201 E HA -0.129 4.222 4.350 0.001 0.000 0.192 201 E C 1.896 178.613 176.600 0.195 0.000 0.984 201 E CA 0.329 56.811 56.400 0.136 0.000 0.806 201 E CB -0.403 29.372 29.700 0.125 0.000 0.750 201 E HN 0.246 nan 8.360 nan 0.000 0.458 202 F N 1.339 121.366 119.950 0.128 0.000 2.102 202 F HA -0.115 4.413 4.527 0.001 0.000 0.298 202 F C 2.212 178.103 175.800 0.153 0.000 1.105 202 F CA 1.958 60.061 58.000 0.171 0.000 1.239 202 F CB -0.652 38.542 39.000 0.323 0.000 0.991 202 F HN 0.029 nan 8.300 nan 0.000 0.474 203 G N 1.010 109.911 108.800 0.168 0.000 2.476 203 G HA2 -0.283 3.678 3.960 0.001 0.000 0.218 203 G HA3 -0.283 3.678 3.960 0.001 0.000 0.218 203 G C 1.798 176.739 174.900 0.069 0.000 1.164 203 G CA 1.374 46.537 45.100 0.105 0.000 0.768 203 G HN 0.460 nan 8.290 nan 0.000 0.560 204 L N 0.507 121.756 121.223 0.042 0.000 2.017 204 L HA -0.045 4.296 4.340 0.001 0.000 0.208 204 L C 3.447 180.292 176.870 -0.043 0.000 1.073 204 L CA 1.058 55.898 54.840 -0.001 0.000 0.745 204 L CB -0.441 41.627 42.059 0.015 0.000 0.894 204 L HN 0.319 nan 8.230 nan 0.000 0.432 205 A N -0.331 122.458 122.820 -0.052 0.000 1.902 205 A HA -0.179 4.142 4.320 0.001 0.000 0.217 205 A C 2.389 179.898 177.584 -0.126 0.000 1.181 205 A CA 1.281 53.275 52.037 -0.073 0.000 0.623 205 A CB -0.388 18.588 19.000 -0.041 0.000 0.818 205 A HN 0.248 nan 8.150 nan 0.000 0.443 206 R N -0.520 119.849 120.500 -0.218 0.000 2.075 206 R HA -0.026 4.314 4.340 0.001 0.000 0.232 206 R C 2.454 178.760 176.300 0.010 0.000 1.126 206 R CA 1.323 57.319 56.100 -0.173 0.000 0.963 206 R CB -0.971 29.095 30.300 -0.389 0.000 0.858 206 R HN 0.526 nan 8.270 nan 0.000 0.435 207 A N 1.197 124.003 122.820 -0.024 0.000 1.902 207 A HA -0.159 4.161 4.320 0.001 0.000 0.217 207 A C 2.194 179.627 177.584 -0.250 0.000 1.181 207 A CA 1.237 53.077 52.037 -0.327 0.000 0.623 207 A CB -0.387 18.309 19.000 -0.507 0.000 0.818 207 A HN 0.221 nan 8.150 nan 0.000 0.443 208 R N -0.213 120.194 120.500 -0.155 0.000 2.193 208 R HA -0.097 4.244 4.340 0.001 0.000 0.229 208 R C 1.887 178.115 176.300 -0.120 0.000 1.110 208 R CA 1.195 57.221 56.100 -0.122 0.000 0.988 208 R CB -0.246 30.010 30.300 -0.074 0.000 0.871 208 R HN 0.678 nan 8.270 nan 0.000 0.458 209 E N 0.514 120.651 120.200 -0.105 0.000 2.171 209 E HA -0.241 4.110 4.350 0.001 0.000 0.197 209 E C 1.802 178.330 176.600 -0.119 0.000 0.997 209 E CA 0.992 57.345 56.400 -0.077 0.000 0.810 209 E CB -0.109 29.572 29.700 -0.033 0.000 0.738 209 E HN 0.157 nan 8.360 nan 0.000 0.467 210 L N 1.537 122.627 121.223 -0.221 0.000 2.017 210 L HA -0.219 4.122 4.340 0.001 0.000 0.208 210 L C 2.294 178.984 176.870 -0.300 0.000 1.073 210 L CA 2.093 56.735 54.840 -0.331 0.000 0.745 210 L CB -0.434 41.263 42.059 -0.604 0.000 0.894 210 L HN 0.043 nan 8.230 nan 0.000 0.432 211 E N -0.584 119.456 120.200 -0.267 0.000 2.077 211 E HA -0.275 4.075 4.350 0.001 0.000 0.193 211 E C 2.002 178.441 176.600 -0.269 0.000 0.989 211 E CA 1.633 57.853 56.400 -0.299 0.000 0.800 211 E CB -0.121 29.503 29.700 -0.125 0.000 0.746 211 E HN 0.658 nan 8.360 nan 0.000 0.452 212 E N 0.037 120.137 120.200 -0.167 0.000 2.110 212 E HA -0.189 4.162 4.350 0.001 0.000 0.193 212 E C 1.968 178.481 176.600 -0.145 0.000 0.988 212 E CA 1.074 57.401 56.400 -0.122 0.000 0.804 212 E CB -0.141 29.518 29.700 -0.069 0.000 0.745 212 E HN 0.398 nan 8.360 nan 0.000 0.458 213 A N 0.949 123.678 122.820 -0.153 0.000 1.873 213 A HA -0.170 4.150 4.320 0.001 0.000 0.215 213 A C 2.191 179.612 177.584 -0.271 0.000 1.186 213 A CA 1.110 53.030 52.037 -0.195 0.000 0.616 213 A CB -0.611 18.329 19.000 -0.099 0.000 0.823 213 A HN 0.146 nan 8.150 nan 0.000 0.442 214 I N -0.252 120.136 120.570 -0.305 0.000 2.163 214 I HA -0.298 3.873 4.170 0.001 0.000 0.243 214 I C 2.384 178.313 176.117 -0.314 0.000 1.085 214 I CA 1.351 62.433 61.300 -0.364 0.000 1.347 214 I CB -0.333 37.307 38.000 -0.600 0.000 1.044 214 I HN 0.297 nan 8.210 nan 0.000 0.408 215 L N 0.005 121.053 121.223 -0.291 0.000 2.093 215 L HA -0.188 4.152 4.340 0.001 0.000 0.208 215 L C 2.594 179.382 176.870 -0.137 0.000 1.085 215 L CA 1.101 55.834 54.840 -0.178 0.000 0.755 215 L CB -0.556 41.430 42.059 -0.121 0.000 0.904 215 L HN 0.221 nan 8.230 nan 0.000 0.435 216 E N 1.092 121.203 120.200 -0.149 0.000 2.031 216 E HA -0.215 4.135 4.350 0.001 0.000 0.193 216 E C 2.112 178.625 176.600 -0.145 0.000 0.994 216 E CA 1.604 57.926 56.400 -0.130 0.000 0.800 216 E CB -0.327 29.292 29.700 -0.136 0.000 0.752 216 E HN 0.379 nan 8.360 nan 0.000 0.447 217 L N -0.590 120.514 121.223 -0.198 0.000 2.217 217 L HA 0.142 4.482 4.340 0.001 0.000 0.211 217 L C 0.989 177.774 176.870 -0.140 0.000 1.107 217 L CA 0.501 55.231 54.840 -0.184 0.000 0.783 217 L CB -0.521 41.399 42.059 -0.233 0.000 0.919 217 L HN 0.376 nan 8.230 nan 0.000 0.442 218 G N 0.316 109.031 108.800 -0.141 0.000 3.338 218 G HA2 -0.194 3.766 3.960 0.001 0.000 0.686 218 G HA3 -0.194 3.766 3.960 0.001 0.000 0.686 218 G C 0.272 175.090 174.900 -0.137 0.000 1.053 218 G CA -0.011 45.020 45.100 -0.116 0.000 0.852 218 G HN 0.267 nan 8.290 nan 0.000 0.545 219 E N 1.627 121.756 120.200 -0.118 0.000 2.118 219 E HA -0.253 4.097 4.350 0.001 0.000 0.195 219 E C 2.414 178.917 176.600 -0.161 0.000 0.992 219 E CA 1.550 57.880 56.400 -0.118 0.000 0.804 219 E CB -0.108 29.595 29.700 0.005 0.000 0.741 219 E HN 0.679 nan 8.360 nan 0.000 0.458 220 N N 0.538 119.155 118.700 -0.138 0.000 2.519 220 N HA -0.194 4.547 4.740 0.001 0.000 0.186 220 N C 1.262 176.661 175.510 -0.185 0.000 1.062 220 N CA 0.849 53.801 53.050 -0.163 0.000 0.910 220 N CB -0.241 38.181 38.487 -0.108 0.000 0.958 220 N HN 0.248 nan 8.380 nan 0.000 0.445 221 R N -0.084 120.314 120.500 -0.170 0.000 2.335 221 R HA 0.263 4.604 4.340 0.001 0.000 0.210 221 R C -0.186 176.010 176.300 -0.173 0.000 0.892 221 R CA -0.087 55.921 56.100 -0.152 0.000 1.048 221 R CB 0.958 31.188 30.300 -0.116 0.000 1.067 221 R HN 0.023 nan 8.270 nan 0.000 0.524 222 V N 1.103 120.890 119.914 -0.213 0.000 2.407 222 V HA 0.225 4.345 4.120 0.001 0.000 0.278 222 V C 0.825 176.765 176.094 -0.257 0.000 1.037 222 V CA -0.010 62.180 62.300 -0.184 0.000 0.900 222 V CB 1.368 33.098 31.823 -0.156 0.000 0.983 222 V HN 0.212 nan 8.190 nan 0.000 0.459 223 A N 4.260 127.007 122.820 -0.122 0.000 1.901 223 A HA 0.780 5.100 4.320 0.001 0.000 0.210 223 A C 0.964 178.690 177.584 0.236 0.000 1.208 223 A CA 0.929 52.976 52.037 0.017 0.000 0.644 223 A CB 0.148 19.260 19.000 0.188 0.000 0.863 223 A HN 1.193 nan 8.150 nan 0.000 0.454 224 A N -1.949 120.955 122.820 0.139 0.000 2.610 224 A HA 0.598 4.919 4.320 0.001 0.000 0.291 224 A C -1.651 176.048 177.584 0.192 0.000 1.086 224 A CA -0.428 51.707 52.037 0.164 0.000 0.677 224 A CB 0.537 19.601 19.000 0.107 0.000 1.278 224 A HN 0.802 nan 8.150 nan 0.000 0.414 225 F N 1.085 121.068 119.950 0.055 0.000 2.482 225 F HA 0.770 5.298 4.527 0.001 0.000 0.331 225 F C -0.716 175.123 175.800 0.065 0.000 1.115 225 F CA -1.221 56.810 58.000 0.052 0.000 0.955 225 F CB 1.228 40.270 39.000 0.070 0.000 1.136 225 F HN 0.581 nan 8.300 nan 0.000 0.452 226 I N 5.578 125.762 120.570 -0.643 0.000 2.465 226 I HA 0.825 4.996 4.170 0.001 0.000 0.291 226 I C -1.503 174.205 176.117 -0.681 0.000 1.014 226 I CA -0.442 60.521 61.300 -0.562 0.000 1.093 226 I CB 1.333 39.048 38.000 -0.476 0.000 1.267 226 I HN 0.826 nan 8.210 nan 0.000 0.431 227 A N 5.668 128.320 122.820 -0.281 0.000 2.574 227 A HA 0.548 4.869 4.320 0.001 0.000 0.297 227 A C -1.334 176.429 177.584 0.299 0.000 1.062 227 A CA -0.684 51.403 52.037 0.082 0.000 0.686 227 A CB 1.336 20.453 19.000 0.195 0.000 1.285 227 A HN 0.725 nan 8.150 nan 0.000 0.403 228 E N 2.188 122.587 120.200 0.331 0.000 2.316 228 E HA 0.267 4.618 4.350 0.001 0.000 0.275 228 E C -1.762 175.044 176.600 0.344 0.000 1.029 228 E CA -1.525 55.019 56.400 0.239 0.000 0.871 228 E CB 0.942 30.713 29.700 0.118 0.000 1.022 228 E HN 0.374 nan 8.360 nan 0.000 0.418 229 P HA -0.163 nan 4.420 nan 0.000 0.215 229 P C -0.308 177.177 177.300 0.309 0.000 1.157 229 P CA 1.037 64.197 63.100 0.100 0.000 0.874 229 P CB 0.299 31.930 31.700 -0.115 0.000 0.790 230 V N -0.285 119.736 119.914 0.177 0.000 2.540 230 V HA 0.201 4.321 4.120 0.001 0.000 0.302 230 V C -0.106 176.040 176.094 0.086 0.000 1.035 230 V CA -0.853 61.542 62.300 0.159 0.000 0.873 230 V CB 1.622 33.506 31.823 0.101 0.000 0.992 230 V HN -0.092 nan 8.190 nan 0.000 0.428 231 Q N 2.269 122.122 119.800 0.088 0.000 2.271 231 Q HA 0.294 4.635 4.340 0.001 0.000 0.273 231 Q C 1.093 177.058 176.000 -0.058 0.000 1.051 231 Q CA 0.570 56.385 55.803 0.019 0.000 0.901 231 Q CB 1.274 30.038 28.738 0.044 0.000 1.174 231 Q HN 0.978 nan 8.270 nan 0.000 0.385 232 G N 1.652 110.321 108.800 -0.219 0.000 2.664 232 G HA2 -0.044 3.916 3.960 0.001 0.000 0.216 232 G HA3 -0.044 3.916 3.960 0.001 0.000 0.216 232 G C 1.130 175.823 174.900 -0.345 0.000 1.243 232 G CA 0.545 45.331 45.100 -0.524 0.000 0.859 232 G HN 0.664 nan 8.290 nan 0.000 0.574 233 A N 0.665 123.248 122.820 -0.394 0.000 2.070 233 A HA 0.192 4.512 4.320 0.001 0.000 0.220 233 A C 2.454 179.985 177.584 -0.088 0.000 1.159 233 A CA 1.869 53.774 52.037 -0.220 0.000 0.656 233 A CB -0.810 17.837 19.000 -0.588 0.000 0.800 233 A HN 0.627 nan 8.150 nan 0.000 0.453 234 G N -1.523 107.250 108.800 -0.046 0.000 2.708 234 G HA2 0.325 4.285 3.960 0.001 0.000 0.210 234 G HA3 0.325 4.285 3.960 0.001 0.000 0.210 234 G C 0.988 175.919 174.900 0.051 0.000 1.141 234 G CA 0.635 45.742 45.100 0.012 0.000 0.788 234 G HN 1.665 nan 8.290 nan 0.000 0.531 235 G N -1.170 107.681 108.800 0.084 0.000 2.186 235 G HA2 0.027 3.988 3.960 0.001 0.000 0.130 235 G HA3 0.027 3.988 3.960 0.001 0.000 0.130 235 G C 0.357 175.346 174.900 0.149 0.000 1.031 235 G CA -0.233 44.942 45.100 0.124 0.000 0.697 235 G HN 1.234 nan 8.290 nan 0.000 0.494 236 V N -0.058 119.958 119.914 0.169 0.000 5.957 236 V HA -0.245 3.876 4.120 0.001 0.000 0.225 236 V C 0.675 176.844 176.094 0.125 0.000 0.661 236 V CA 1.084 63.473 62.300 0.149 0.000 0.571 236 V CB -1.435 30.489 31.823 0.169 0.000 0.361 236 V HN 0.650 nan 8.190 nan 0.000 0.495 237 I N 2.644 123.281 120.570 0.111 0.000 2.301 237 I HA 0.323 4.493 4.170 0.001 0.000 0.292 237 I C 0.372 176.566 176.117 0.128 0.000 1.046 237 I CA -0.329 61.045 61.300 0.124 0.000 1.282 237 I CB 1.258 39.326 38.000 0.113 0.000 1.409 237 I HN 0.201 nan 8.210 nan 0.000 0.484 238 V N 6.466 126.467 119.914 0.146 0.000 2.364 238 V HA 0.440 4.560 4.120 0.001 0.000 0.272 238 V C 0.924 177.111 176.094 0.155 0.000 1.036 238 V CA -0.847 61.546 62.300 0.155 0.000 0.880 238 V CB 1.055 32.966 31.823 0.147 0.000 0.991 238 V HN 0.858 nan 8.190 nan 0.000 0.460 239 A N 7.846 130.745 122.820 0.132 0.000 2.498 239 A HA 0.502 4.823 4.320 0.001 0.000 0.239 239 A C -2.009 175.667 177.584 0.154 0.000 1.068 239 A CA -0.877 51.185 52.037 0.042 0.000 0.766 239 A CB -0.414 18.495 19.000 -0.152 0.000 1.003 239 A HN 0.707 nan 8.150 nan 0.000 0.497 240 P HA -0.036 nan 4.420 nan 0.000 0.266 240 P C 0.216 177.632 177.300 0.194 0.000 1.186 240 P CA 0.003 63.204 63.100 0.168 0.000 0.767 240 P CB 0.450 32.268 31.700 0.197 0.000 0.820 241 D N 0.663 121.157 120.400 0.156 0.000 2.178 241 D HA -0.136 4.505 4.640 0.001 0.000 0.201 241 D C 1.712 178.118 176.300 0.176 0.000 0.980 241 D CA 1.770 55.871 54.000 0.169 0.000 0.842 241 D CB -0.276 40.593 40.800 0.115 0.000 0.948 241 D HN 0.454 nan 8.370 nan 0.000 0.472 242 S N -0.246 115.542 115.700 0.145 0.000 2.474 242 S HA -0.197 4.274 4.470 0.001 0.000 0.235 242 S C 1.975 176.649 174.600 0.123 0.000 0.997 242 S CA 0.301 58.573 58.200 0.119 0.000 0.949 242 S CB -0.509 62.745 63.200 0.091 0.000 0.766 242 S HN 0.321 nan 8.310 nan 0.000 0.517 243 Y N 1.120 121.430 120.300 0.016 0.000 2.092 243 Y HA -0.035 4.515 4.550 0.001 0.000 0.282 243 Y C 1.992 177.820 175.900 -0.119 0.000 1.126 243 Y CA 1.386 59.422 58.100 -0.107 0.000 1.111 243 Y CB -0.859 37.492 38.460 -0.181 0.000 0.987 243 Y HN 0.252 nan 8.280 nan 0.000 0.489 244 W N 0.493 121.848 121.300 0.092 0.000 2.321 244 W HA -0.174 4.487 4.660 0.001 0.000 0.306 244 W C -0.475 176.017 176.519 -0.046 0.000 1.217 244 W CA 1.549 58.895 57.345 0.000 0.000 1.257 244 W CB -1.693 27.844 29.460 0.127 0.000 1.145 244 W HN 0.206 nan 8.180 nan 0.000 0.509 245 P HA -0.207 nan 4.420 nan 0.000 0.218 245 P C 1.135 178.454 177.300 0.031 0.000 1.149 245 P CA 1.884 65.052 63.100 0.114 0.000 0.817 245 P CB 0.009 31.764 31.700 0.091 0.000 0.785 246 E N -0.258 119.913 120.200 -0.048 0.000 2.072 246 E HA -0.127 4.224 4.350 0.001 0.000 0.190 246 E C 1.947 178.445 176.600 -0.171 0.000 0.982 246 E CA 0.937 57.272 56.400 -0.109 0.000 0.803 246 E CB -0.969 28.649 29.700 -0.136 0.000 0.755 246 E HN -0.043 nan 8.360 nan 0.000 0.453 247 I N 0.960 121.340 120.570 -0.316 0.000 2.118 247 I HA -0.281 3.890 4.170 0.001 0.000 0.241 247 I C 2.408 178.506 176.117 -0.030 0.000 1.070 247 I CA 1.546 62.664 61.300 -0.302 0.000 1.327 247 I CB -1.370 36.352 38.000 -0.463 0.000 1.034 247 I HN 0.311 nan 8.210 nan 0.000 0.405 248 Q N 1.074 120.932 119.800 0.096 0.000 2.084 248 Q HA -0.214 4.126 4.340 0.001 0.000 0.202 248 Q C 2.378 178.417 176.000 0.066 0.000 0.978 248 Q CA 1.752 57.631 55.803 0.126 0.000 0.844 248 Q CB -0.378 28.442 28.738 0.137 0.000 0.898 248 Q HN 0.359 nan 8.270 nan 0.000 0.426 249 R N -0.352 120.167 120.500 0.033 0.000 2.073 249 R HA -0.132 4.209 4.340 0.001 0.000 0.234 249 R C 2.213 178.533 176.300 0.033 0.000 1.134 249 R CA 1.715 57.827 56.100 0.021 0.000 0.952 249 R CB -0.440 29.863 30.300 0.004 0.000 0.850 249 R HN 0.402 nan 8.270 nan 0.000 0.433 250 I N 0.355 120.943 120.570 0.029 0.000 2.163 250 I HA -0.382 3.789 4.170 0.001 0.000 0.243 250 I C 2.473 178.691 176.117 0.168 0.000 1.085 250 I CA 1.251 62.611 61.300 0.102 0.000 1.347 250 I CB -0.262 37.733 38.000 -0.008 0.000 1.044 250 I HN 0.342 nan 8.210 nan 0.000 0.408 251 C N 0.324 119.688 119.300 0.107 0.000 2.432 251 C HA -0.122 4.339 4.460 0.001 0.000 0.280 251 C C 2.355 177.439 174.990 0.157 0.000 1.353 251 C CA 0.551 59.664 59.018 0.159 0.000 1.766 251 C CB -1.060 26.791 27.740 0.184 0.000 1.924 251 C HN 0.514 nan 8.230 nan 0.000 0.509 252 D N 0.562 121.023 120.400 0.101 0.000 2.137 252 D HA -0.097 4.543 4.640 0.001 0.000 0.202 252 D C 2.191 178.506 176.300 0.025 0.000 0.970 252 D CA 0.970 55.010 54.000 0.066 0.000 0.837 252 D CB -0.362 40.458 40.800 0.034 0.000 0.981 252 D HN 0.497 nan 8.370 nan 0.000 0.475 253 K N -0.790 119.596 120.400 -0.024 0.000 2.097 253 K HA -0.110 4.211 4.320 0.001 0.000 0.205 253 K C 0.072 176.476 176.600 -0.328 0.000 1.050 253 K CA 0.790 56.951 56.287 -0.209 0.000 0.938 253 K CB 0.141 32.442 32.500 -0.332 0.000 0.718 253 K HN 0.049 nan 8.250 nan 0.000 0.442 254 Y N 0.270 120.576 120.300 0.010 0.000 2.453 254 Y HA 0.154 4.705 4.550 0.001 0.000 0.326 254 Y C -0.240 175.681 175.900 0.034 0.000 1.186 254 Y CA -1.143 56.957 58.100 -0.001 0.000 1.200 254 Y CB 1.225 39.667 38.460 -0.030 0.000 1.247 254 Y HN -0.099 nan 8.280 nan 0.000 0.482 255 D N 3.020 123.520 120.400 0.166 0.000 2.619 255 D HA 0.230 4.871 4.640 0.001 0.000 0.224 255 D C -0.941 175.427 176.300 0.113 0.000 1.133 255 D CA 0.181 54.266 54.000 0.141 0.000 1.017 255 D CB -0.737 40.098 40.800 0.059 0.000 1.077 255 D HN 0.480 nan 8.370 nan 0.000 0.503 256 I N -1.755 118.948 120.570 0.222 0.000 2.865 256 I HA 0.481 4.652 4.170 0.001 0.000 0.302 256 I C -1.005 175.263 176.117 0.252 0.000 1.140 256 I CA -1.209 60.235 61.300 0.240 0.000 1.021 256 I CB 1.847 39.929 38.000 0.136 0.000 1.233 256 I HN -0.224 nan 8.210 nan 0.000 0.427 257 L N 4.085 125.440 121.223 0.220 0.000 2.350 257 L HA 0.435 4.776 4.340 0.001 0.000 0.275 257 L C -0.549 176.456 176.870 0.226 0.000 1.099 257 L CA -0.747 54.059 54.840 -0.057 0.000 0.808 257 L CB 1.523 43.441 42.059 -0.235 0.000 1.149 257 L HN 0.509 nan 8.230 nan 0.000 0.442 258 L N 4.781 126.284 121.223 0.466 0.000 2.272 258 L HA 0.510 4.850 4.340 0.001 0.000 0.289 258 L C -0.485 176.490 176.870 0.174 0.000 1.032 258 L CA 0.115 55.148 54.840 0.322 0.000 0.810 258 L CB 0.948 43.190 42.059 0.306 0.000 1.205 258 L HN 0.326 nan 8.230 nan 0.000 0.422 259 I N 5.364 125.977 120.570 0.072 0.000 2.339 259 I HA 0.578 4.748 4.170 0.001 0.000 0.290 259 I C 0.108 176.210 176.117 -0.026 0.000 0.994 259 I CA -0.636 60.655 61.300 -0.015 0.000 1.191 259 I CB 1.632 39.586 38.000 -0.077 0.000 1.343 259 I HN 0.759 nan 8.210 nan 0.000 0.458 260 A N 4.841 127.641 122.820 -0.033 0.000 2.249 260 A HA 0.301 4.622 4.320 0.001 0.000 0.314 260 A C -0.460 177.122 177.584 -0.004 0.000 1.290 260 A CA -0.514 51.505 52.037 -0.030 0.000 0.893 260 A CB 0.446 19.384 19.000 -0.103 0.000 1.165 260 A HN 0.700 nan 8.150 nan 0.000 0.530 261 D N 2.522 122.957 120.400 0.057 0.000 2.336 261 D HA 0.107 4.748 4.640 0.001 0.000 0.249 261 D C 0.210 176.568 176.300 0.096 0.000 1.213 261 D CA 0.141 54.205 54.000 0.106 0.000 0.870 261 D CB 0.748 41.697 40.800 0.248 0.000 1.076 261 D HN 0.507 nan 8.370 nan 0.000 0.483 262 E N 3.041 123.303 120.200 0.103 0.000 2.501 262 E HA 0.033 4.384 4.350 0.001 0.000 0.200 262 E C 1.800 178.499 176.600 0.164 0.000 1.016 262 E CA -0.073 56.406 56.400 0.133 0.000 0.921 262 E CB 0.789 30.609 29.700 0.200 0.000 1.034 262 E HN 0.346 nan 8.360 nan 0.000 0.468 263 V N 0.929 120.929 119.914 0.143 0.000 2.324 263 V HA -0.274 3.846 4.120 0.001 0.000 0.250 263 V C 2.115 178.269 176.094 0.100 0.000 1.060 263 V CA 1.745 64.135 62.300 0.149 0.000 1.042 263 V CB -0.256 31.644 31.823 0.129 0.000 0.650 263 V HN 0.298 nan 8.190 nan 0.000 0.450 264 I N -1.595 118.969 120.570 -0.010 0.000 2.556 264 I HA -0.120 4.051 4.170 0.001 0.000 0.251 264 I C 2.324 178.451 176.117 0.017 0.000 1.105 264 I CA 0.797 62.049 61.300 -0.082 0.000 1.436 264 I CB -0.254 37.492 38.000 -0.423 0.000 1.139 264 I HN 0.290 nan 8.210 nan 0.000 0.438 265 C N 1.484 120.790 119.300 0.010 0.000 2.422 265 C HA 0.041 4.501 4.460 0.001 0.000 0.286 265 C C 1.693 176.695 174.990 0.021 0.000 1.412 265 C CA -0.016 59.014 59.018 0.021 0.000 1.786 265 C CB -1.883 25.867 27.740 0.017 0.000 1.835 265 C HN 0.493 nan 8.230 nan 0.000 0.533 266 G N -1.442 107.400 108.800 0.070 0.000 2.527 266 G HA2 0.383 4.344 3.960 0.001 0.000 0.248 266 G HA3 0.383 4.344 3.960 0.001 0.000 0.248 266 G C -0.114 174.762 174.900 -0.040 0.000 1.231 266 G CA -0.084 44.974 45.100 -0.070 0.000 0.838 266 G HN 0.480 nan 8.290 nan 0.000 0.570 267 F N -0.459 119.352 119.950 -0.232 0.000 3.030 267 F HA -0.191 4.337 4.527 0.001 0.000 0.309 267 F C 1.676 177.368 175.800 -0.179 0.000 0.941 267 F CA 1.404 59.343 58.000 -0.101 0.000 1.082 267 F CB -1.445 37.583 39.000 0.046 0.000 1.113 267 F HN 1.619 nan 8.300 nan 0.000 0.716 268 G N -1.070 107.598 108.800 -0.220 0.000 2.213 268 G HA2 -0.382 3.579 3.960 0.001 0.000 0.226 268 G HA3 -0.382 3.579 3.960 0.001 0.000 0.226 268 G C 0.890 175.704 174.900 -0.143 0.000 0.992 268 G CA 0.428 45.368 45.100 -0.266 0.000 0.632 268 G HN 0.587 nan 8.290 nan 0.000 0.511 269 R N 1.513 121.971 120.500 -0.069 0.000 2.127 269 R HA -0.038 4.302 4.340 0.001 0.000 0.238 269 R C 2.574 178.855 176.300 -0.031 0.000 1.134 269 R CA 2.852 58.942 56.100 -0.017 0.000 0.975 269 R CB -0.741 29.585 30.300 0.043 0.000 0.865 269 R HN 0.733 nan 8.270 nan 0.000 0.447 270 T N -4.253 110.269 114.554 -0.052 0.000 3.105 270 T HA 0.327 4.678 4.350 0.001 0.000 0.253 270 T C 1.116 175.780 174.700 -0.059 0.000 1.047 270 T CA 0.217 62.294 62.100 -0.040 0.000 0.944 270 T CB 0.489 69.343 68.868 -0.023 0.000 1.016 270 T HN 0.376 nan 8.240 nan 0.000 0.544 271 G N 0.980 109.723 108.800 -0.095 0.000 2.175 271 G HA2 -0.199 3.761 3.960 0.001 0.000 0.244 271 G HA3 -0.199 3.761 3.960 0.001 0.000 0.244 271 G C -0.121 174.691 174.900 -0.146 0.000 0.982 271 G CA -0.165 44.867 45.100 -0.112 0.000 0.641 271 G HN 0.623 nan 8.290 nan 0.000 0.527 272 N N -1.749 116.855 118.700 -0.161 0.000 2.629 272 N HA 0.427 5.167 4.740 0.001 0.000 0.279 272 N C 0.727 176.068 175.510 -0.281 0.000 1.344 272 N CA -0.557 52.385 53.050 -0.180 0.000 0.789 272 N CB 0.639 39.094 38.487 -0.053 0.000 1.508 272 N HN 0.048 nan 8.380 nan 0.000 0.516 273 W N 0.239 121.396 121.300 -0.239 0.000 2.321 273 W HA -0.037 4.624 4.660 0.001 0.000 0.306 273 W C 0.153 176.004 176.519 -1.113 0.000 1.217 273 W CA 0.914 57.903 57.345 -0.593 0.000 1.257 273 W CB -0.054 29.111 29.460 -0.491 0.000 1.145 273 W HN 0.318 nan 8.180 nan 0.000 0.509 274 F N -1.687 118.270 119.950 0.012 0.000 2.588 274 F HA 0.418 4.946 4.527 0.001 0.000 0.310 274 F C 1.112 176.859 175.800 -0.089 0.000 1.082 274 F CA -0.783 57.161 58.000 -0.093 0.000 0.929 274 F CB 0.770 39.696 39.000 -0.124 0.000 1.254 274 F HN -0.234 nan 8.300 nan 0.000 0.455 275 G N -0.104 108.743 108.800 0.078 0.000 2.450 275 G HA2 -0.281 3.679 3.960 0.001 0.000 0.220 275 G HA3 -0.281 3.679 3.960 0.001 0.000 0.220 275 G C 1.679 176.531 174.900 -0.081 0.000 1.130 275 G CA 1.639 46.730 45.100 -0.015 0.000 0.760 275 G HN 0.759 nan 8.290 nan 0.000 0.557 276 T N -0.965 113.549 114.554 -0.067 0.000 2.803 276 T HA -0.168 4.182 4.350 0.001 0.000 0.269 276 T C 2.256 176.902 174.700 -0.089 0.000 1.052 276 T CA 1.936 63.943 62.100 -0.155 0.000 1.136 276 T CB -0.300 68.466 68.868 -0.171 0.000 0.864 276 T HN 0.447 nan 8.240 nan 0.000 0.467 277 Q N 0.310 120.117 119.800 0.012 0.000 2.083 277 Q HA -0.018 4.323 4.340 0.001 0.000 0.198 277 Q C 2.727 178.722 176.000 -0.008 0.000 0.969 277 Q CA 1.911 57.728 55.803 0.024 0.000 0.838 277 Q CB -0.406 28.387 28.738 0.093 0.000 0.900 277 Q HN 0.551 nan 8.270 nan 0.000 0.436 278 T N 0.650 115.193 114.554 -0.018 0.000 2.759 278 T HA -0.106 4.245 4.350 0.001 0.000 0.269 278 T C 1.440 176.120 174.700 -0.032 0.000 1.042 278 T CA 1.043 63.129 62.100 -0.022 0.000 1.140 278 T CB 0.001 68.855 68.868 -0.022 0.000 0.864 278 T HN 0.165 nan 8.240 nan 0.000 0.455 279 M N 0.192 119.732 119.600 -0.100 0.000 2.495 279 M HA 0.304 4.784 4.480 0.001 0.000 0.237 279 M C 1.635 177.890 176.300 -0.076 0.000 1.131 279 M CA 0.073 55.295 55.300 -0.129 0.000 1.032 279 M CB -1.034 31.285 32.600 -0.468 0.000 1.513 279 M HN 0.404 nan 8.290 nan 0.000 0.488 280 G N 3.151 111.914 108.800 -0.060 0.000 2.356 280 G HA2 -0.240 3.721 3.960 0.001 0.000 0.296 280 G HA3 -0.240 3.721 3.960 0.001 0.000 0.296 280 G C 0.163 175.038 174.900 -0.042 0.000 1.022 280 G CA 0.667 45.749 45.100 -0.030 0.000 0.961 280 G HN 0.636 nan 8.290 nan 0.000 0.510 281 I N -3.984 116.519 120.570 -0.112 0.000 2.924 281 I HA 0.856 5.027 4.170 0.001 0.000 0.316 281 I C 0.469 176.526 176.117 -0.098 0.000 1.014 281 I CA -1.791 59.452 61.300 -0.096 0.000 1.106 281 I CB 1.496 39.381 38.000 -0.192 0.000 1.311 281 I HN -0.065 nan 8.210 nan 0.000 0.502 282 R N 2.151 122.602 120.500 -0.082 0.000 2.651 282 R HA 0.402 4.743 4.340 0.001 0.000 0.282 282 R C -2.550 173.632 176.300 -0.197 0.000 1.565 282 R CA -1.517 54.504 56.100 -0.131 0.000 1.661 282 R CB 0.413 30.645 30.300 -0.114 0.000 1.189 282 R HN 0.520 nan 8.270 nan 0.000 0.621 283 P HA 0.047 nan 4.420 nan 0.000 0.272 283 P C -0.139 176.997 177.300 -0.274 0.000 1.223 283 P CA -0.153 62.849 63.100 -0.163 0.000 0.784 283 P CB 0.963 32.594 31.700 -0.115 0.000 0.923 284 H N 0.036 119.054 119.070 -0.086 0.000 2.512 284 H HA 0.280 4.836 4.556 0.001 0.000 0.279 284 H C 0.608 175.843 175.328 -0.155 0.000 0.999 284 H CA 0.813 56.779 56.048 -0.137 0.000 1.283 284 H CB -0.015 29.631 29.762 -0.193 0.000 1.421 284 H HN 0.257 nan 8.280 nan 0.000 0.554 285 I N 0.471 121.022 120.570 -0.031 0.000 2.722 285 I HA 0.274 4.445 4.170 0.001 0.000 0.295 285 I C -1.035 175.029 176.117 -0.089 0.000 1.161 285 I CA -0.631 60.625 61.300 -0.074 0.000 1.032 285 I CB 2.682 40.637 38.000 -0.075 0.000 1.244 285 I HN -0.043 nan 8.210 nan 0.000 0.421 286 M N 3.850 123.384 119.600 -0.110 0.000 2.253 286 M HA 0.381 4.862 4.480 0.001 0.000 0.314 286 M C -0.777 175.506 176.300 -0.029 0.000 1.019 286 M CA -0.565 54.668 55.300 -0.111 0.000 0.932 286 M CB 2.369 34.814 32.600 -0.258 0.000 1.606 286 M HN 0.493 nan 8.290 nan 0.000 0.430 287 T N 4.854 119.422 114.554 0.025 0.000 2.817 287 T HA 0.633 4.984 4.350 0.001 0.000 0.293 287 T C -0.160 174.636 174.700 0.160 0.000 0.964 287 T CA -0.451 61.704 62.100 0.091 0.000 1.085 287 T CB 0.109 69.034 68.868 0.095 0.000 0.921 287 T HN 0.613 nan 8.240 nan 0.000 0.502 288 I N -0.365 120.338 120.570 0.222 0.000 2.730 288 I HA 0.978 5.149 4.170 0.001 0.000 0.298 288 I C -0.298 176.003 176.117 0.306 0.000 1.089 288 I CA -1.254 60.256 61.300 0.349 0.000 1.041 288 I CB 2.005 40.315 38.000 0.517 0.000 1.235 288 I HN 0.777 nan 8.210 nan 0.000 0.423 289 A N 3.282 126.290 122.820 0.313 0.000 4.989 289 A HA 0.504 4.825 4.320 0.001 0.000 0.238 289 A C 0.223 177.915 177.584 0.181 0.000 0.962 289 A CA -0.082 52.081 52.037 0.211 0.000 0.608 289 A CB -0.097 19.009 19.000 0.177 0.000 1.893 289 A HN 0.861 nan 8.150 nan 0.000 0.923 290 K N -1.724 118.759 120.400 0.137 0.000 3.138 290 K HA -0.340 3.981 4.320 0.001 0.000 0.187 290 K C 1.475 178.123 176.600 0.081 0.000 0.767 290 K CA 2.315 58.676 56.287 0.124 0.000 0.521 290 K CB -1.628 30.966 32.500 0.157 0.000 0.757 290 K HN 1.532 nan 8.250 nan 0.000 0.792 291 G N 1.055 109.932 108.800 0.127 0.000 2.527 291 G HA2 -0.184 3.777 3.960 0.001 0.000 0.219 291 G HA3 -0.184 3.777 3.960 0.001 0.000 0.219 291 G C 1.247 175.990 174.900 -0.261 0.000 1.117 291 G CA 1.056 46.198 45.100 0.069 0.000 0.759 291 G HN 0.301 nan 8.290 nan 0.000 0.556 292 L N 1.914 122.836 121.223 -0.502 0.000 2.043 292 L HA -0.067 4.274 4.340 0.001 0.000 0.212 292 L C 2.451 179.058 176.870 -0.437 0.000 1.075 292 L CA 2.722 56.991 54.840 -0.953 0.000 0.752 292 L CB -0.291 41.513 42.059 -0.425 0.000 0.891 292 L HN 0.267 nan 8.230 nan 0.000 0.432 293 S N -3.482 112.105 115.700 -0.188 0.000 2.650 293 S HA 0.224 4.695 4.470 0.001 0.000 0.240 293 S C 0.794 175.397 174.600 0.005 0.000 1.007 293 S CA 0.194 58.345 58.200 -0.081 0.000 0.984 293 S CB -0.033 63.162 63.200 -0.008 0.000 0.910 293 S HN 0.339 nan 8.310 nan 0.000 0.509 294 S N 0.862 116.559 115.700 -0.006 0.000 3.419 294 S HA -0.178 4.293 4.470 0.001 0.000 0.350 294 S C 1.428 176.135 174.600 0.179 0.000 1.128 294 S CA 1.152 59.406 58.200 0.091 0.000 0.999 294 S CB -1.846 61.408 63.200 0.091 0.000 0.923 294 S HN 2.053 nan 8.310 nan 0.000 0.522 295 G N -1.305 107.567 108.800 0.120 0.000 2.184 295 G HA2 -0.417 3.543 3.960 0.001 0.000 0.264 295 G HA3 -0.417 3.543 3.960 0.001 0.000 0.264 295 G C 0.400 175.352 174.900 0.086 0.000 0.975 295 G CA 0.694 45.841 45.100 0.079 0.000 0.642 295 G HN 0.653 nan 8.290 nan 0.000 0.536 296 Y N 0.664 120.944 120.300 -0.032 0.000 2.421 296 Y HA 0.403 4.953 4.550 0.001 0.000 0.292 296 Y C 1.842 177.727 175.900 -0.026 0.000 1.136 296 Y CA 1.573 59.661 58.100 -0.020 0.000 1.255 296 Y CB 0.174 38.619 38.460 -0.024 0.000 0.991 296 Y HN 0.805 nan 8.280 nan 0.000 0.552 297 A N -0.640 122.248 122.820 0.112 0.000 2.520 297 A HA 0.612 4.933 4.320 0.001 0.000 0.298 297 A C -2.909 174.679 177.584 0.007 0.000 1.051 297 A CA -1.704 50.349 52.037 0.026 0.000 0.690 297 A CB 0.943 19.951 19.000 0.013 0.000 1.281 297 A HN -0.191 nan 8.150 nan 0.000 0.402 298 P HA 0.586 nan 4.420 nan 0.000 0.276 298 P C -0.745 176.558 177.300 0.004 0.000 1.253 298 P CA 0.294 63.385 63.100 -0.015 0.000 0.766 298 P CB 0.535 32.204 31.700 -0.051 0.000 0.845 299 I N 1.838 122.440 120.570 0.054 0.000 2.771 299 I HA 0.674 4.844 4.170 0.001 0.000 0.291 299 I C -0.956 175.249 176.117 0.147 0.000 1.527 299 I CA -0.304 61.058 61.300 0.103 0.000 1.024 299 I CB 1.841 39.888 38.000 0.079 0.000 1.388 299 I HN 0.540 nan 8.210 nan 0.000 0.447 300 G N 3.232 112.163 108.800 0.218 0.000 2.870 300 G HA2 0.909 4.870 3.960 0.001 0.000 0.299 300 G HA3 0.909 4.870 3.960 0.001 0.000 0.299 300 G C -0.886 174.216 174.900 0.337 0.000 1.324 300 G CA -0.402 44.846 45.100 0.247 0.000 0.808 300 G HN 1.215 nan 8.290 nan 0.000 0.535 301 G N -1.741 107.238 108.800 0.298 0.000 2.320 301 G HA2 0.544 4.505 3.960 0.001 0.000 0.296 301 G HA3 0.544 4.505 3.960 0.001 0.000 0.296 301 G C -1.464 173.558 174.900 0.204 0.000 1.306 301 G CA 0.071 45.339 45.100 0.281 0.000 0.836 301 G HN 1.223 nan 8.290 nan 0.000 0.517 302 S N -0.125 115.665 115.700 0.150 0.000 2.605 302 S HA 0.618 5.088 4.470 0.001 0.000 0.308 302 S C -0.203 174.408 174.600 0.018 0.000 1.113 302 S CA -0.468 57.785 58.200 0.089 0.000 1.049 302 S CB 1.143 64.398 63.200 0.093 0.000 1.001 302 S HN 0.583 nan 8.310 nan 0.000 0.480 303 I N 2.850 123.405 120.570 -0.025 0.000 2.353 303 I HA 0.500 4.671 4.170 0.001 0.000 0.293 303 I C -0.676 175.398 176.117 -0.071 0.000 0.992 303 I CA -0.777 60.481 61.300 -0.070 0.000 1.268 303 I CB 1.316 39.234 38.000 -0.137 0.000 1.387 303 I HN 0.232 nan 8.210 nan 0.000 0.478 304 V N 5.137 125.030 119.914 -0.035 0.000 2.638 304 V HA 0.214 4.335 4.120 0.001 0.000 0.306 304 V C 0.130 176.230 176.094 0.011 0.000 1.052 304 V CA -0.949 61.329 62.300 -0.037 0.000 0.885 304 V CB 1.816 33.614 31.823 -0.043 0.000 0.999 304 V HN 1.042 nan 8.190 nan 0.000 0.424 305 C N 2.083 121.365 119.300 -0.030 0.000 2.727 305 C HA 0.183 4.644 4.460 0.001 0.000 0.401 305 C C 1.785 176.793 174.990 0.030 0.000 1.294 305 C CA -0.072 58.946 59.018 0.001 0.000 2.134 305 C CB -0.003 27.717 27.740 -0.033 0.000 2.724 305 C HN 0.898 nan 8.230 nan 0.000 0.677 306 D N 0.759 121.208 120.400 0.081 0.000 2.133 306 D HA -0.191 4.450 4.640 0.001 0.000 0.192 306 D C 1.920 178.201 176.300 -0.031 0.000 1.001 306 D CA 2.529 56.565 54.000 0.059 0.000 0.844 306 D CB -0.421 40.429 40.800 0.084 0.000 0.944 306 D HN 0.960 nan 8.370 nan 0.000 0.447 307 E N 0.748 120.944 120.200 -0.007 0.000 2.047 307 E HA -0.121 4.230 4.350 0.001 0.000 0.191 307 E C 2.028 178.643 176.600 0.025 0.000 0.987 307 E CA 1.072 57.489 56.400 0.028 0.000 0.799 307 E CB -0.379 29.346 29.700 0.042 0.000 0.752 307 E HN 0.080 nan 8.360 nan 0.000 0.449 308 V N 1.171 121.010 119.914 -0.125 0.000 2.343 308 V HA -0.228 3.893 4.120 0.001 0.000 0.247 308 V C 2.496 178.488 176.094 -0.171 0.000 1.051 308 V CA 1.868 64.010 62.300 -0.263 0.000 1.036 308 V CB -1.068 30.454 31.823 -0.502 0.000 0.654 308 V HN 0.507 nan 8.190 nan 0.000 0.451 309 A N -0.403 122.283 122.820 -0.222 0.000 1.902 309 A HA -0.305 4.016 4.320 0.001 0.000 0.217 309 A C 2.118 179.563 177.584 -0.232 0.000 1.181 309 A CA 2.329 54.180 52.037 -0.310 0.000 0.623 309 A CB -0.870 17.728 19.000 -0.669 0.000 0.818 309 A HN 0.741 nan 8.150 nan 0.000 0.443 310 H N -0.338 118.585 119.070 -0.245 0.000 2.319 310 H HA -0.091 4.465 4.556 0.001 0.000 0.299 310 H C 1.810 177.071 175.328 -0.113 0.000 1.092 310 H CA 2.154 58.111 56.048 -0.152 0.000 1.302 310 H CB -0.215 29.486 29.762 -0.102 0.000 1.373 310 H HN 0.129 nan 8.280 nan 0.000 0.497 311 V N 0.637 120.470 119.914 -0.135 0.000 2.358 311 V HA -0.198 3.923 4.120 0.001 0.000 0.246 311 V C 2.488 178.444 176.094 -0.229 0.000 1.047 311 V CA 1.452 63.630 62.300 -0.204 0.000 1.035 311 V CB -0.404 31.329 31.823 -0.150 0.000 0.658 311 V HN 0.463 nan 8.190 nan 0.000 0.452 312 I N 1.214 121.664 120.570 -0.201 0.000 2.361 312 I HA -0.147 4.024 4.170 0.001 0.000 0.251 312 I C 2.497 178.494 176.117 -0.201 0.000 1.133 312 I CA 1.910 63.049 61.300 -0.268 0.000 1.413 312 I CB -1.630 36.121 38.000 -0.413 0.000 1.073 312 I HN 0.423 nan 8.210 nan 0.000 0.424 313 G N 0.529 109.211 108.800 -0.198 0.000 2.598 313 G HA2 -0.184 3.777 3.960 0.001 0.000 0.215 313 G HA3 -0.184 3.777 3.960 0.001 0.000 0.215 313 G C 1.686 176.493 174.900 -0.154 0.000 1.131 313 G CA 0.048 45.061 45.100 -0.145 0.000 0.785 313 G HN 0.365 nan 8.290 nan 0.000 0.539 314 K N -0.610 119.662 120.400 -0.213 0.000 2.365 314 K HA 0.069 4.390 4.320 0.001 0.000 0.199 314 K C 0.177 176.718 176.600 -0.098 0.000 1.045 314 K CA 0.500 56.673 56.287 -0.188 0.000 0.962 314 K CB 0.224 32.590 32.500 -0.222 0.000 0.759 314 K HN 0.208 nan 8.250 nan 0.000 0.469 315 D N -0.636 119.724 120.400 -0.066 0.000 2.677 315 D HA 0.086 4.727 4.640 0.001 0.000 0.298 315 D C -1.222 175.093 176.300 0.025 0.000 1.250 315 D CA -0.526 53.462 54.000 -0.020 0.000 0.888 315 D CB 1.300 42.087 40.800 -0.021 0.000 1.397 315 D HN -0.221 nan 8.370 nan 0.000 0.461 316 E N 0.486 120.713 120.200 0.044 0.000 2.465 316 E HA 0.077 4.427 4.350 0.001 0.000 0.260 316 E C -0.494 176.198 176.600 0.153 0.000 0.980 316 E CA 0.312 56.759 56.400 0.078 0.000 0.927 316 E CB 0.253 29.983 29.700 0.050 0.000 0.934 316 E HN 0.210 nan 8.360 nan 0.000 0.459 317 F N 4.588 124.532 119.950 -0.010 0.000 2.359 317 F HA 0.230 4.758 4.527 0.002 0.000 0.369 317 F C -0.081 175.723 175.800 0.006 0.000 1.084 317 F CA -1.272 56.718 58.000 -0.017 0.000 1.096 317 F CB 0.347 39.332 39.000 -0.026 0.000 1.335 317 F HN 0.129 nan 8.300 nan 0.000 0.457 318 N N 5.178 123.763 118.700 -0.191 0.000 3.103 318 N HA 0.023 4.764 4.740 0.001 0.000 0.305 318 N C -1.013 174.283 175.510 -0.356 0.000 1.232 318 N CA 0.248 53.175 53.050 -0.205 0.000 1.190 318 N CB -0.530 37.908 38.487 -0.082 0.000 1.461 318 N HN 0.703 nan 8.380 nan 0.000 0.538 319 H N -0.950 117.706 119.070 -0.690 0.000 3.046 319 H HA 0.658 5.215 4.556 0.001 0.000 0.363 319 H C -0.360 174.651 175.328 -0.529 0.000 1.203 319 H CA -0.314 55.262 56.048 -0.788 0.000 1.169 319 H CB 1.579 30.454 29.762 -1.479 0.000 1.851 319 H HN 0.379 nan 8.280 nan 0.000 0.546 320 G N 1.547 109.590 108.800 -1.262 0.000 2.350 320 G HA2 0.268 4.229 3.960 0.001 0.000 0.305 320 G HA3 0.268 4.229 3.960 0.001 0.000 0.305 320 G C -2.419 172.080 174.900 -0.669 0.000 1.479 320 G CA -0.970 43.643 45.100 -0.812 0.000 0.949 320 G HN 0.418 nan 8.290 nan 0.000 0.651 321 Y N 0.030 120.411 120.300 0.135 0.000 2.446 321 Y HA 0.546 5.096 4.550 0.001 0.000 0.345 321 Y C 1.898 178.007 175.900 0.349 0.000 0.984 321 Y CA -0.006 58.223 58.100 0.215 0.000 1.058 321 Y CB 2.075 40.638 38.460 0.171 0.000 1.220 321 Y HN 0.608 nan 8.280 nan 0.000 0.455 322 T N 0.578 115.258 114.554 0.210 0.000 2.653 322 T HA -0.273 4.078 4.350 0.001 0.000 0.267 322 T C 1.009 175.770 174.700 0.101 0.000 1.037 322 T CA 2.167 64.171 62.100 -0.160 0.000 1.159 322 T CB -0.399 68.095 68.868 -0.623 0.000 0.859 322 T HN 0.579 nan 8.240 nan 0.000 0.449 323 Y N 1.387 121.877 120.300 0.317 0.000 2.490 323 Y HA 0.375 4.926 4.550 0.001 0.000 0.281 323 Y C 1.379 177.491 175.900 0.353 0.000 1.174 323 Y CA -1.167 57.149 58.100 0.359 0.000 1.295 323 Y CB -0.675 37.914 38.460 0.215 0.000 1.062 323 Y HN 0.005 nan 8.280 nan 0.000 0.522 324 S N 0.535 116.533 115.700 0.498 0.000 2.596 324 S HA 0.255 4.725 4.470 0.001 0.000 0.298 324 S C 1.352 176.114 174.600 0.271 0.000 1.255 324 S CA 1.002 59.440 58.200 0.397 0.000 1.083 324 S CB -0.308 63.055 63.200 0.271 0.000 0.837 324 S HN 0.818 nan 8.310 nan 0.000 0.499 325 G N 2.235 111.121 108.800 0.142 0.000 2.148 325 G HA2 -0.269 3.692 3.960 0.001 0.000 0.254 325 G HA3 -0.269 3.692 3.960 0.001 0.000 0.254 325 G C 0.121 175.051 174.900 0.050 0.000 0.981 325 G CA 0.177 45.165 45.100 -0.187 0.000 0.670 325 G HN 0.924 nan 8.290 nan 0.000 0.528 326 H N 1.979 121.104 119.070 0.093 0.000 3.223 326 H HA 0.006 4.563 4.556 0.001 0.000 0.287 326 H C -0.461 174.825 175.328 -0.069 0.000 0.910 326 H CA 0.315 56.427 56.048 0.106 0.000 1.406 326 H CB 1.152 30.977 29.762 0.105 0.000 1.377 326 H HN 0.244 nan 8.280 nan 0.000 0.556 327 P HA -0.133 nan 4.420 nan 0.000 0.219 327 P C 1.626 178.814 177.300 -0.186 0.000 1.150 327 P CA 0.592 63.347 63.100 -0.575 0.000 0.814 327 P CB 0.404 31.472 31.700 -1.054 0.000 0.787 328 V N 0.998 120.916 119.914 0.007 0.000 2.323 328 V HA -0.159 3.962 4.120 0.001 0.000 0.244 328 V C 2.862 179.012 176.094 0.093 0.000 1.041 328 V CA 2.147 64.505 62.300 0.096 0.000 1.025 328 V CB -1.757 30.180 31.823 0.189 0.000 0.656 328 V HN 0.082 nan 8.190 nan 0.000 0.451 329 A N 0.138 123.063 122.820 0.175 0.000 1.933 329 A HA -0.104 4.217 4.320 0.001 0.000 0.218 329 A C 2.399 179.985 177.584 0.003 0.000 1.175 329 A CA 2.073 54.136 52.037 0.044 0.000 0.628 329 A CB -0.739 18.267 19.000 0.010 0.000 0.814 329 A HN 0.565 nan 8.150 nan 0.000 0.444 330 A N -0.227 122.579 122.820 -0.023 0.000 1.930 330 A HA 0.199 4.520 4.320 0.001 0.000 0.217 330 A C 2.469 180.025 177.584 -0.048 0.000 1.175 330 A CA 1.929 53.913 52.037 -0.088 0.000 0.627 330 A CB -0.891 18.017 19.000 -0.154 0.000 0.815 330 A HN 1.012 nan 8.150 nan 0.000 0.443 331 A N -0.608 122.190 122.820 -0.037 0.000 1.930 331 A HA 0.057 4.378 4.320 0.001 0.000 0.217 331 A C 2.204 179.770 177.584 -0.031 0.000 1.175 331 A CA 1.614 53.632 52.037 -0.030 0.000 0.627 331 A CB -0.808 18.172 19.000 -0.033 0.000 0.815 331 A HN 0.345 nan 8.150 nan 0.000 0.443 332 V N -0.068 119.831 119.914 -0.025 0.000 2.295 332 V HA -0.253 3.867 4.120 0.001 0.000 0.246 332 V C 3.066 179.123 176.094 -0.063 0.000 1.049 332 V CA 1.940 64.218 62.300 -0.036 0.000 1.024 332 V CB -1.211 30.611 31.823 -0.001 0.000 0.648 332 V HN 0.605 nan 8.190 nan 0.000 0.447 333 A N -0.323 122.467 122.820 -0.050 0.000 1.902 333 A HA -0.213 4.107 4.320 0.001 0.000 0.217 333 A C 2.171 179.719 177.584 -0.059 0.000 1.181 333 A CA 2.145 54.141 52.037 -0.069 0.000 0.623 333 A CB -0.568 18.400 19.000 -0.052 0.000 0.818 333 A HN 0.463 nan 8.150 nan 0.000 0.443 334 L N -0.297 120.906 121.223 -0.034 0.000 2.056 334 L HA -0.117 4.224 4.340 0.001 0.000 0.207 334 L C 2.287 179.140 176.870 -0.027 0.000 1.078 334 L CA 2.623 57.453 54.840 -0.017 0.000 0.749 334 L CB -0.459 41.596 42.059 -0.006 0.000 0.901 334 L HN 0.474 nan 8.230 nan 0.000 0.433 335 E N -0.232 119.940 120.200 -0.046 0.000 2.110 335 E HA -0.265 4.085 4.350 0.001 0.000 0.193 335 E C 2.012 178.562 176.600 -0.083 0.000 0.988 335 E CA 1.528 57.892 56.400 -0.060 0.000 0.804 335 E CB -0.364 29.291 29.700 -0.075 0.000 0.745 335 E HN 0.597 nan 8.360 nan 0.000 0.458 336 N N -0.174 118.456 118.700 -0.117 0.000 2.036 336 N HA -0.166 4.575 4.740 0.001 0.000 0.195 336 N C 1.730 177.226 175.510 -0.024 0.000 1.037 336 N CA 2.013 54.986 53.050 -0.127 0.000 0.855 336 N CB -0.306 38.086 38.487 -0.158 0.000 1.033 336 N HN 0.247 nan 8.380 nan 0.000 0.423 337 L N -0.071 121.159 121.223 0.012 0.000 2.083 337 L HA -0.125 4.216 4.340 0.001 0.000 0.209 337 L C 2.719 179.669 176.870 0.134 0.000 1.083 337 L CA 1.083 55.996 54.840 0.122 0.000 0.752 337 L CB -0.536 41.561 42.059 0.063 0.000 0.899 337 L HN 0.302 nan 8.230 nan 0.000 0.433 338 R N 0.917 121.449 120.500 0.054 0.000 2.081 338 R HA -0.159 4.182 4.340 0.001 0.000 0.235 338 R C 2.303 178.637 176.300 0.057 0.000 1.131 338 R CA 1.488 57.618 56.100 0.050 0.000 0.960 338 R CB -0.208 30.101 30.300 0.015 0.000 0.856 338 R HN 0.309 nan 8.270 nan 0.000 0.436 339 I N 0.928 121.513 120.570 0.025 0.000 2.179 339 I HA -0.320 3.851 4.170 0.001 0.000 0.242 339 I C 2.314 178.456 176.117 0.042 0.000 1.088 339 I CA 1.196 62.501 61.300 0.008 0.000 1.357 339 I CB -0.268 37.706 38.000 -0.043 0.000 1.051 339 I HN 0.218 nan 8.210 nan 0.000 0.409 340 L N 0.363 121.637 121.223 0.086 0.000 2.043 340 L HA -0.273 4.068 4.340 0.001 0.000 0.212 340 L C 2.621 179.575 176.870 0.140 0.000 1.075 340 L CA 1.731 56.627 54.840 0.093 0.000 0.752 340 L CB -0.524 41.645 42.059 0.184 0.000 0.891 340 L HN 0.333 nan 8.230 nan 0.000 0.432 341 E N 0.070 120.455 120.200 0.308 0.000 2.033 341 E HA -0.192 4.159 4.350 0.001 0.000 0.189 341 E C 2.012 178.706 176.600 0.156 0.000 0.979 341 E CA 0.977 57.576 56.400 0.332 0.000 0.802 341 E CB 0.094 30.011 29.700 0.361 0.000 0.763 341 E HN 0.457 nan 8.360 nan 0.000 0.449 342 E N 0.072 120.335 120.200 0.105 0.000 2.274 342 E HA -0.111 4.240 4.350 0.001 0.000 0.194 342 E C 1.220 177.843 176.600 0.038 0.000 0.996 342 E CA 0.658 57.095 56.400 0.062 0.000 0.840 342 E CB 0.173 29.898 29.700 0.043 0.000 0.772 342 E HN 0.328 nan 8.360 nan 0.000 0.491 343 E N 0.458 120.675 120.200 0.028 0.000 2.463 343 E HA 0.059 4.410 4.350 0.001 0.000 0.193 343 E C -0.615 175.984 176.600 -0.001 0.000 1.041 343 E CA -0.213 56.189 56.400 0.004 0.000 0.879 343 E CB 0.013 29.704 29.700 -0.016 0.000 0.997 343 E HN 0.210 nan 8.360 nan 0.000 0.478 344 N N 1.005 119.714 118.700 0.014 0.000 2.725 344 N HA -0.196 4.544 4.740 0.001 0.000 0.251 344 N C 0.616 176.114 175.510 -0.020 0.000 1.031 344 N CA 0.009 53.060 53.050 0.002 0.000 0.720 344 N CB -0.517 37.978 38.487 0.013 0.000 0.930 344 N HN 0.207 nan 8.380 nan 0.000 0.543 345 I N -0.425 120.115 120.570 -0.051 0.000 2.286 345 I HA -0.227 3.943 4.170 0.001 0.000 0.248 345 I C 2.196 178.266 176.117 -0.078 0.000 1.115 345 I CA 1.321 62.589 61.300 -0.052 0.000 1.392 345 I CB -0.732 37.216 38.000 -0.087 0.000 1.065 345 I HN 0.449 nan 8.210 nan 0.000 0.418 346 L N 0.236 121.337 121.223 -0.204 0.000 2.083 346 L HA -0.213 4.127 4.340 0.001 0.000 0.209 346 L C 2.229 179.017 176.870 -0.136 0.000 1.083 346 L CA 1.208 55.896 54.840 -0.253 0.000 0.752 346 L CB -0.671 41.124 42.059 -0.440 0.000 0.899 346 L HN 0.197 nan 8.230 nan 0.000 0.433 347 D N -0.920 119.433 120.400 -0.077 0.000 2.117 347 D HA -0.220 4.420 4.640 0.001 0.000 0.197 347 D C 1.969 178.257 176.300 -0.020 0.000 0.987 347 D CA 1.389 55.367 54.000 -0.038 0.000 0.829 347 D CB -0.207 40.588 40.800 -0.009 0.000 0.961 347 D HN 0.390 nan 8.370 nan 0.000 0.460 348 H N 0.678 119.705 119.070 -0.071 0.000 2.319 348 H HA -0.099 4.458 4.556 0.001 0.000 0.299 348 H C 1.967 177.258 175.328 -0.062 0.000 1.092 348 H CA 1.803 57.815 56.048 -0.061 0.000 1.302 348 H CB -0.304 29.421 29.762 -0.061 0.000 1.373 348 H HN -0.089 nan 8.280 nan 0.000 0.497 349 V N 0.831 120.664 119.914 -0.135 0.000 2.255 349 V HA -0.282 3.839 4.120 0.001 0.000 0.247 349 V C 2.575 178.568 176.094 -0.168 0.000 1.051 349 V CA 2.464 64.659 62.300 -0.174 0.000 1.018 349 V CB -0.483 31.273 31.823 -0.111 0.000 0.641 349 V HN 0.430 nan 8.190 nan 0.000 0.445 350 R N 0.111 120.535 120.500 -0.127 0.000 2.092 350 R HA -0.075 4.266 4.340 0.001 0.000 0.231 350 R C 2.040 178.290 176.300 -0.084 0.000 1.119 350 R CA 1.539 57.583 56.100 -0.093 0.000 0.970 350 R CB -0.271 29.983 30.300 -0.076 0.000 0.864 350 R HN 0.526 nan 8.270 nan 0.000 0.440 351 N N -0.833 117.808 118.700 -0.098 0.000 2.415 351 N HA 0.006 4.747 4.740 0.001 0.000 0.174 351 N C 1.405 176.860 175.510 -0.091 0.000 1.048 351 N CA 0.728 53.734 53.050 -0.073 0.000 0.895 351 N CB 0.619 39.077 38.487 -0.048 0.000 1.036 351 N HN 0.003 nan 8.380 nan 0.000 0.449 352 V N 0.133 119.935 119.914 -0.187 0.000 3.097 352 V HA 0.293 4.413 4.120 0.001 0.000 0.223 352 V C 2.075 178.037 176.094 -0.220 0.000 1.199 352 V CA 0.921 63.092 62.300 -0.215 0.000 1.260 352 V CB -0.766 30.880 31.823 -0.296 0.000 1.155 352 V HN 0.123 nan 8.190 nan 0.000 0.509 353 A N 0.414 122.984 122.820 -0.417 0.000 1.855 353 A HA -0.013 4.308 4.320 0.001 0.000 0.215 353 A C 2.314 179.868 177.584 -0.049 0.000 1.191 353 A CA 2.259 54.167 52.037 -0.215 0.000 0.613 353 A CB -0.924 17.926 19.000 -0.250 0.000 0.829 353 A HN 0.602 nan 8.150 nan 0.000 0.442 354 A N 0.145 122.916 122.820 -0.082 0.000 1.877 354 A HA -0.016 4.305 4.320 0.001 0.000 0.216 354 A C 0.253 177.841 177.584 0.007 0.000 1.186 354 A CA 1.849 53.866 52.037 -0.032 0.000 0.620 354 A CB -1.681 17.287 19.000 -0.053 0.000 0.822 354 A HN 0.449 nan 8.150 nan 0.000 0.443 355 P HA -0.157 nan 4.420 nan 0.000 0.216 355 P C 1.391 178.724 177.300 0.056 0.000 1.153 355 P CA 1.169 64.285 63.100 0.026 0.000 0.848 355 P CB -0.165 31.548 31.700 0.022 0.000 0.787 356 Y N 0.015 120.288 120.300 -0.045 0.000 2.163 356 Y HA -0.140 4.411 4.550 0.001 0.000 0.288 356 Y C 2.199 178.083 175.900 -0.026 0.000 1.136 356 Y CA 1.092 59.167 58.100 -0.041 0.000 1.147 356 Y CB -0.988 37.447 38.460 -0.041 0.000 0.987 356 Y HN -0.238 nan 8.280 nan 0.000 0.509 357 L N 1.169 122.491 121.223 0.165 0.000 2.012 357 L HA -0.214 4.126 4.340 0.001 0.000 0.210 357 L C 2.431 179.376 176.870 0.125 0.000 1.073 357 L CA 2.200 57.137 54.840 0.161 0.000 0.748 357 L CB -1.000 41.153 42.059 0.157 0.000 0.891 357 L HN 0.244 nan 8.230 nan 0.000 0.431 358 K N -0.784 119.662 120.400 0.076 0.000 2.044 358 K HA -0.263 4.058 4.320 0.001 0.000 0.210 358 K C 2.206 178.842 176.600 0.060 0.000 1.049 358 K CA 1.839 58.182 56.287 0.093 0.000 0.927 358 K CB -0.323 32.205 32.500 0.048 0.000 0.713 358 K HN 0.431 nan 8.250 nan 0.000 0.443 359 E N 1.017 121.184 120.200 -0.055 0.000 2.077 359 E HA -0.196 4.155 4.350 0.001 0.000 0.193 359 E C 1.729 178.217 176.600 -0.187 0.000 0.989 359 E CA 1.410 57.737 56.400 -0.122 0.000 0.800 359 E CB 0.122 29.710 29.700 -0.186 0.000 0.746 359 E HN 0.309 nan 8.360 nan 0.000 0.452 360 K N -0.216 119.985 120.400 -0.333 0.000 2.103 360 K HA -0.117 4.204 4.320 0.001 0.000 0.204 360 K C 2.059 178.520 176.600 -0.232 0.000 1.052 360 K CA 0.856 56.803 56.287 -0.567 0.000 0.945 360 K CB -0.347 31.389 32.500 -1.272 0.000 0.722 360 K HN 0.337 nan 8.250 nan 0.000 0.443 361 W N 2.556 123.844 121.300 -0.020 0.000 2.354 361 W HA -0.188 4.473 4.660 0.001 0.000 0.315 361 W C 1.340 177.917 176.519 0.097 0.000 1.206 361 W CA 1.564 59.051 57.345 0.237 0.000 1.290 361 W CB 0.040 29.622 29.460 0.203 0.000 1.152 361 W HN 0.143 nan 8.180 nan 0.000 0.489 362 E N 0.157 120.450 120.200 0.155 0.000 2.204 362 E HA -0.142 4.209 4.350 0.001 0.000 0.194 362 E C 2.170 178.741 176.600 -0.047 0.000 0.989 362 E CA 0.964 57.393 56.400 0.048 0.000 0.824 362 E CB -0.347 29.403 29.700 0.083 0.000 0.756 362 E HN 0.197 nan 8.360 nan 0.000 0.477 363 A N 0.926 123.706 122.820 -0.067 0.000 2.172 363 A HA -0.076 4.245 4.320 0.001 0.000 0.216 363 A C 1.981 179.514 177.584 -0.085 0.000 1.154 363 A CA 0.535 52.524 52.037 -0.080 0.000 0.701 363 A CB -0.433 18.502 19.000 -0.109 0.000 0.789 363 A HN 0.159 nan 8.150 nan 0.000 0.465 364 L N 0.071 121.208 121.223 -0.144 0.000 2.456 364 L HA -0.112 4.228 4.340 0.001 0.000 0.224 364 L C 2.564 179.363 176.870 -0.119 0.000 1.148 364 L CA 1.397 56.133 54.840 -0.172 0.000 0.825 364 L CB -0.604 41.200 42.059 -0.425 0.000 0.937 364 L HN 0.615 nan 8.230 nan 0.000 0.450 365 T N -3.779 110.714 114.554 -0.102 0.000 3.098 365 T HA -0.123 4.228 4.350 0.001 0.000 0.266 365 T C 1.224 175.919 174.700 -0.009 0.000 1.145 365 T CA 0.859 62.927 62.100 -0.052 0.000 1.092 365 T CB -0.438 68.410 68.868 -0.033 0.000 0.908 365 T HN 0.452 nan 8.240 nan 0.000 0.526 366 D N -0.379 120.017 120.400 -0.007 0.000 2.355 366 D HA -0.096 4.545 4.640 0.001 0.000 0.218 366 D C 0.699 177.002 176.300 0.005 0.000 1.004 366 D CA -0.028 53.970 54.000 -0.002 0.000 0.880 366 D CB -0.770 40.022 40.800 -0.013 0.000 0.911 366 D HN 0.516 nan 8.370 nan 0.000 0.528 367 H N 0.644 119.684 119.070 -0.049 0.000 2.582 367 H HA 0.134 4.691 4.556 0.001 0.000 0.345 367 H C -1.702 173.613 175.328 -0.021 0.000 1.104 367 H CA -1.474 54.551 56.048 -0.039 0.000 1.390 367 H CB 1.894 31.620 29.762 -0.059 0.000 1.461 367 H HN -0.209 nan 8.280 nan 0.000 0.551 368 P HA -0.150 nan 4.420 nan 0.000 0.219 368 P C 1.347 178.716 177.300 0.115 0.000 1.146 368 P CA 0.612 63.669 63.100 -0.071 0.000 0.808 368 P CB 0.367 31.972 31.700 -0.158 0.000 0.779 369 L N -1.930 119.500 121.223 0.345 0.000 2.492 369 L HA 0.035 4.376 4.340 0.001 0.000 0.223 369 L C 0.531 177.495 176.870 0.156 0.000 1.132 369 L CA 0.727 55.725 54.840 0.265 0.000 0.850 369 L CB -0.486 41.725 42.059 0.254 0.000 0.966 369 L HN -0.252 nan 8.230 nan 0.000 0.454 370 V N -0.078 119.906 119.914 0.117 0.000 2.348 370 V HA 0.385 4.505 4.120 0.001 0.000 0.270 370 V C 1.367 177.425 176.094 -0.060 0.000 1.037 370 V CA 0.160 62.445 62.300 -0.025 0.000 0.872 370 V CB 0.656 32.424 31.823 -0.091 0.000 1.002 370 V HN 0.322 nan 8.190 nan 0.000 0.464 371 G N 4.702 113.402 108.800 -0.167 0.000 2.459 371 G HA2 0.117 4.077 3.960 0.001 0.000 0.213 371 G HA3 0.117 4.077 3.960 0.001 0.000 0.213 371 G C 0.362 174.980 174.900 -0.470 0.000 1.155 371 G CA 0.534 45.513 45.100 -0.201 0.000 0.811 371 G HN 0.749 nan 8.290 nan 0.000 0.534 372 E N -1.903 117.907 120.200 -0.649 0.000 2.412 372 E HA 0.679 5.029 4.350 0.001 0.000 0.279 372 E C -1.511 174.949 176.600 -0.233 0.000 0.984 372 E CA -1.159 55.014 56.400 -0.379 0.000 0.788 372 E CB 1.783 31.232 29.700 -0.419 0.000 1.277 372 E HN 0.184 nan 8.360 nan 0.000 0.455 373 A N 2.299 125.077 122.820 -0.071 0.000 2.411 373 A HA 0.573 4.894 4.320 0.001 0.000 0.285 373 A C -1.177 176.560 177.584 0.255 0.000 1.129 373 A CA -0.956 51.100 52.037 0.032 0.000 0.736 373 A CB 0.980 19.861 19.000 -0.198 0.000 1.186 373 A HN 0.367 nan 8.150 nan 0.000 0.445 374 K N 1.554 122.186 120.400 0.387 0.000 2.259 374 K HA 0.775 5.096 4.320 0.001 0.000 0.249 374 K C -1.238 175.493 176.600 0.219 0.000 0.942 374 K CA -0.464 55.981 56.287 0.263 0.000 0.816 374 K CB 2.688 35.298 32.500 0.184 0.000 1.155 374 K HN 0.781 nan 8.250 nan 0.000 0.428 375 I N 0.187 120.826 120.570 0.114 0.000 2.743 375 I HA 0.277 4.448 4.170 0.001 0.000 0.292 375 I C -1.781 174.347 176.117 0.018 0.000 1.343 375 I CA -0.816 60.473 61.300 -0.020 0.000 1.038 375 I CB 1.964 39.914 38.000 -0.083 0.000 1.311 375 I HN 0.233 nan 8.210 nan 0.000 0.426 376 V N 7.760 127.671 119.914 -0.005 0.000 2.482 376 V HA 0.704 4.824 4.120 0.001 0.000 0.295 376 V C 0.845 176.929 176.094 -0.017 0.000 1.026 376 V CA 0.460 62.768 62.300 0.013 0.000 0.856 376 V CB 0.572 32.419 31.823 0.039 0.000 1.001 376 V HN 1.181 nan 8.190 nan 0.000 0.424 377 G N 5.486 114.273 108.800 -0.022 0.000 2.646 377 G HA2 -0.289 3.672 3.960 0.001 0.000 0.324 377 G HA3 -0.289 3.672 3.960 0.001 0.000 0.324 377 G C 0.481 175.347 174.900 -0.056 0.000 1.195 377 G CA 0.982 46.059 45.100 -0.039 0.000 0.976 377 G HN 0.588 nan 8.290 nan 0.000 0.546 378 M N 1.656 121.223 119.600 -0.056 0.000 2.685 378 M HA 0.407 4.888 4.480 0.001 0.000 0.355 378 M C 0.535 176.786 176.300 -0.082 0.000 1.197 378 M CA 0.301 55.556 55.300 -0.074 0.000 0.947 378 M CB -0.201 32.367 32.600 -0.053 0.000 1.346 378 M HN 0.652 nan 8.290 nan 0.000 0.516 379 M N 0.051 119.607 119.600 -0.073 0.000 2.326 379 M HA 0.945 5.426 4.480 0.001 0.000 0.306 379 M C -1.112 175.080 176.300 -0.179 0.000 1.054 379 M CA -0.614 54.664 55.300 -0.037 0.000 0.922 379 M CB 2.475 35.170 32.600 0.158 0.000 1.632 379 M HN -0.013 nan 8.290 nan 0.000 0.436 380 A N 2.027 124.636 122.820 -0.351 0.000 2.539 380 A HA 0.932 5.253 4.320 0.001 0.000 0.296 380 A C -0.845 176.560 177.584 -0.298 0.000 1.073 380 A CA -0.503 51.178 52.037 -0.594 0.000 0.700 380 A CB 1.942 19.930 19.000 -1.687 0.000 1.296 380 A HN 1.046 nan 8.150 nan 0.000 0.405 381 S N 0.207 115.969 115.700 0.105 0.000 2.595 381 S HA 0.852 5.322 4.470 0.001 0.000 0.281 381 S C -0.624 174.318 174.600 0.569 0.000 1.117 381 S CA -0.549 57.860 58.200 0.347 0.000 0.873 381 S CB 1.257 64.569 63.200 0.187 0.000 1.108 381 S HN 1.578 nan 8.310 nan 0.000 0.477 382 I N -0.968 119.807 120.570 0.341 0.000 2.545 382 I HA 0.872 5.043 4.170 0.001 0.000 0.292 382 I C -0.316 175.759 176.117 -0.070 0.000 1.040 382 I CA -1.452 59.866 61.300 0.030 0.000 1.068 382 I CB 1.698 39.584 38.000 -0.191 0.000 1.251 382 I HN 0.804 nan 8.210 nan 0.000 0.424 383 A N 7.479 130.147 122.820 -0.254 0.000 2.289 383 A HA 0.712 5.033 4.320 0.001 0.000 0.298 383 A C -0.315 177.160 177.584 -0.181 0.000 1.208 383 A CA -0.562 51.295 52.037 -0.299 0.000 0.845 383 A CB 0.494 19.025 19.000 -0.782 0.000 1.125 383 A HN 0.775 nan 8.150 nan 0.000 0.517 384 L N 2.089 123.333 121.223 0.035 0.000 2.312 384 L HA 0.651 4.992 4.340 0.001 0.000 0.281 384 L C 0.550 177.644 176.870 0.373 0.000 1.070 384 L CA -0.249 54.707 54.840 0.193 0.000 0.805 384 L CB 1.562 43.755 42.059 0.223 0.000 1.174 384 L HN 0.746 nan 8.230 nan 0.000 0.434 385 T N 2.260 116.963 114.554 0.249 0.000 2.923 385 T HA 0.458 4.808 4.350 0.001 0.000 0.311 385 T C -2.329 172.179 174.700 -0.320 0.000 1.183 385 T CA -1.192 60.842 62.100 -0.109 0.000 1.020 385 T CB 2.229 71.186 68.868 0.148 0.000 1.165 385 T HN 0.401 nan 8.240 nan 0.000 0.482 386 P HA 0.233 nan 4.420 nan 0.000 0.245 386 P C -0.135 177.062 177.300 -0.172 0.000 1.203 386 P CA 0.265 63.126 63.100 -0.398 0.000 0.792 386 P CB 0.248 31.625 31.700 -0.539 0.000 0.997 387 N N 0.288 118.898 118.700 -0.150 0.000 2.629 387 N HA 0.110 4.850 4.740 0.001 0.000 0.277 387 N C 0.550 176.048 175.510 -0.020 0.000 1.188 387 N CA -0.214 52.795 53.050 -0.069 0.000 0.835 387 N CB 1.108 39.543 38.487 -0.087 0.000 1.420 387 N HN -0.286 nan 8.380 nan 0.000 0.542 388 K N 0.988 121.416 120.400 0.047 0.000 2.211 388 K HA -0.003 4.317 4.320 0.001 0.000 0.203 388 K C 1.596 178.224 176.600 0.047 0.000 1.050 388 K CA 1.273 57.641 56.287 0.135 0.000 0.945 388 K CB 0.192 32.794 32.500 0.170 0.000 0.732 388 K HN 0.507 nan 8.250 nan 0.000 0.451 389 A N 1.515 124.335 122.820 -0.001 0.000 1.972 389 A HA -0.131 4.189 4.320 0.001 0.000 0.219 389 A C 1.981 179.512 177.584 -0.087 0.000 1.169 389 A CA 1.924 53.945 52.037 -0.028 0.000 0.635 389 A CB -0.259 18.726 19.000 -0.025 0.000 0.810 389 A HN 0.345 nan 8.150 nan 0.000 0.446 390 S N -1.859 113.764 115.700 -0.127 0.000 2.593 390 S HA 0.274 4.745 4.470 0.001 0.000 0.236 390 S C 0.446 174.849 174.600 -0.328 0.000 0.991 390 S CA -0.054 58.030 58.200 -0.193 0.000 0.963 390 S CB -0.107 63.002 63.200 -0.151 0.000 0.865 390 S HN 0.508 nan 8.310 nan 0.000 0.488 391 R N 0.803 121.067 120.500 -0.393 0.000 3.322 391 R HA -0.161 4.180 4.340 0.001 0.000 0.253 391 R C 0.313 176.364 176.300 -0.416 0.000 0.987 391 R CA 0.543 56.205 56.100 -0.730 0.000 0.666 391 R CB -2.770 26.575 30.300 -1.592 0.000 1.072 391 R HN 0.661 nan 8.270 nan 0.000 0.447 392 A N 1.626 124.323 122.820 -0.206 0.000 2.498 392 A HA 0.223 4.544 4.320 0.001 0.000 0.239 392 A C 0.778 178.282 177.584 -0.133 0.000 1.068 392 A CA 0.020 51.949 52.037 -0.181 0.000 0.766 392 A CB 0.455 19.341 19.000 -0.190 0.000 1.003 392 A HN 0.236 nan 8.150 nan 0.000 0.497 393 K N 1.339 121.680 120.400 -0.097 0.000 2.098 393 K HA 0.379 4.700 4.320 0.001 0.000 0.257 393 K C -0.875 175.676 176.600 -0.081 0.000 0.999 393 K CA -0.311 55.969 56.287 -0.011 0.000 0.924 393 K CB 0.453 32.982 32.500 0.049 0.000 1.028 393 K HN 0.473 nan 8.250 nan 0.000 0.466 394 F N 0.410 120.392 119.950 0.054 0.000 2.459 394 F HA 0.045 4.573 4.527 0.001 0.000 0.346 394 F C 1.644 177.459 175.800 0.025 0.000 1.128 394 F CA 0.239 58.263 58.000 0.039 0.000 1.268 394 F CB 0.633 39.659 39.000 0.043 0.000 1.161 394 F HN 0.714 nan 8.300 nan 0.000 0.583 395 A N 1.472 124.410 122.820 0.198 0.000 2.066 395 A HA -0.017 4.304 4.320 0.001 0.000 0.218 395 A C 1.146 178.795 177.584 0.108 0.000 1.157 395 A CA 0.796 52.901 52.037 0.113 0.000 0.670 395 A CB -0.968 18.078 19.000 0.076 0.000 0.804 395 A HN 0.657 nan 8.150 nan 0.000 0.453 396 S N 0.660 116.440 115.700 0.135 0.000 2.593 396 S HA 0.242 4.712 4.470 0.001 0.000 0.269 396 S C -0.120 174.524 174.600 0.073 0.000 1.334 396 S CA -0.778 57.467 58.200 0.075 0.000 1.015 396 S CB 0.359 63.581 63.200 0.037 0.000 0.912 396 S HN 0.394 nan 8.310 nan 0.000 0.541 397 E N 2.030 122.254 120.200 0.041 0.000 2.708 397 E HA 0.018 4.369 4.350 0.001 0.000 0.260 397 E C -2.224 174.409 176.600 0.056 0.000 0.937 397 E CA -0.822 55.602 56.400 0.040 0.000 0.953 397 E CB -0.567 29.143 29.700 0.017 0.000 0.915 397 E HN 0.401 nan 8.360 nan 0.000 0.487 398 P HA -0.069 nan 4.420 nan 0.000 0.260 398 P C 0.817 178.174 177.300 0.096 0.000 1.172 398 P CA 1.253 64.413 63.100 0.099 0.000 0.760 398 P CB 0.392 32.149 31.700 0.095 0.000 0.773 399 G N 2.186 111.053 108.800 0.112 0.000 2.307 399 G HA2 -0.275 3.685 3.960 0.001 0.000 0.210 399 G HA3 -0.275 3.685 3.960 0.001 0.000 0.210 399 G C 1.269 176.196 174.900 0.045 0.000 1.005 399 G CA 0.391 45.594 45.100 0.172 0.000 0.634 399 G HN 0.432 nan 8.290 nan 0.000 0.496 400 T N 1.348 115.892 114.554 -0.018 0.000 2.652 400 T HA -0.080 4.270 4.350 0.001 0.000 0.267 400 T C 2.317 176.933 174.700 -0.140 0.000 1.039 400 T CA 1.784 63.838 62.100 -0.076 0.000 1.153 400 T CB -0.142 68.678 68.868 -0.079 0.000 0.863 400 T HN 0.255 nan 8.240 nan 0.000 0.428 401 I N 1.370 121.787 120.570 -0.254 0.000 2.286 401 I HA 0.040 4.210 4.170 0.001 0.000 0.245 401 I C 2.740 178.700 176.117 -0.263 0.000 1.104 401 I CA 0.983 62.048 61.300 -0.391 0.000 1.397 401 I CB -1.084 36.381 38.000 -0.892 0.000 1.072 401 I HN 0.307 nan 8.210 nan 0.000 0.417 402 G N -0.797 107.893 108.800 -0.182 0.000 2.446 402 G HA2 -0.356 3.605 3.960 0.001 0.000 0.217 402 G HA3 -0.356 3.605 3.960 0.001 0.000 0.217 402 G C 1.828 176.371 174.900 -0.596 0.000 1.168 402 G CA 0.938 45.924 45.100 -0.190 0.000 0.771 402 G HN 0.383 nan 8.290 nan 0.000 0.551 403 Y N 1.165 120.938 120.300 -0.879 0.000 2.165 403 Y HA -0.107 4.444 4.550 0.001 0.000 0.286 403 Y C 2.652 178.308 175.900 -0.408 0.000 1.155 403 Y CA 1.453 59.090 58.100 -0.771 0.000 1.164 403 Y CB -0.147 38.043 38.460 -0.451 0.000 0.978 403 Y HN 0.189 nan 8.280 nan 0.000 0.513 404 I N -1.268 119.182 120.570 -0.201 0.000 2.208 404 I HA -0.398 3.773 4.170 0.001 0.000 0.245 404 I C 2.803 178.780 176.117 -0.233 0.000 1.097 404 I CA 1.477 62.666 61.300 -0.185 0.000 1.363 404 I CB -0.618 37.305 38.000 -0.128 0.000 1.051 404 I HN 0.421 nan 8.210 nan 0.000 0.413 405 C N 0.846 120.007 119.300 -0.232 0.000 2.466 405 C HA -0.100 4.360 4.460 0.001 0.000 0.278 405 C C 3.068 177.947 174.990 -0.185 0.000 1.288 405 C CA 0.659 59.571 59.018 -0.178 0.000 1.722 405 C CB -0.935 26.718 27.740 -0.146 0.000 2.017 405 C HN 0.394 nan 8.230 nan 0.000 0.488 406 R N 0.760 121.098 120.500 -0.270 0.000 2.096 406 R HA -0.112 4.228 4.340 0.001 0.000 0.240 406 R C 2.127 178.236 176.300 -0.318 0.000 1.139 406 R CA 1.704 57.645 56.100 -0.264 0.000 0.952 406 R CB -0.649 29.409 30.300 -0.404 0.000 0.854 406 R HN 0.619 nan 8.270 nan 0.000 0.436 407 E N 0.054 119.957 120.200 -0.496 0.000 2.118 407 E HA -0.176 4.175 4.350 0.001 0.000 0.195 407 E C 2.034 178.549 176.600 -0.142 0.000 0.992 407 E CA 0.826 56.996 56.400 -0.384 0.000 0.804 407 E CB -0.103 29.356 29.700 -0.402 0.000 0.741 407 E HN 0.166 nan 8.360 nan 0.000 0.458 408 R N 0.356 120.784 120.500 -0.120 0.000 2.075 408 R HA -0.052 4.288 4.340 0.001 0.000 0.232 408 R C 2.543 178.843 176.300 0.000 0.000 1.126 408 R CA 0.732 56.801 56.100 -0.052 0.000 0.963 408 R CB -1.425 28.838 30.300 -0.061 0.000 0.858 408 R HN 0.252 nan 8.270 nan 0.000 0.435 409 C N 0.242 119.556 119.300 0.023 0.000 2.413 409 C HA -0.089 4.372 4.460 0.001 0.000 0.276 409 C C 2.608 177.675 174.990 0.127 0.000 1.236 409 C CA 0.413 59.471 59.018 0.065 0.000 1.735 409 C CB -1.181 26.614 27.740 0.092 0.000 2.031 409 C HN 0.289 nan 8.230 nan 0.000 0.474 410 F N 1.681 121.572 119.950 -0.098 0.000 2.171 410 F HA -0.054 4.473 4.527 0.001 0.000 0.300 410 F C 2.523 178.289 175.800 -0.058 0.000 1.090 410 F CA 1.270 59.224 58.000 -0.077 0.000 1.293 410 F CB -1.120 37.825 39.000 -0.091 0.000 1.013 410 F HN 0.176 nan 8.300 nan 0.000 0.486 411 A N -0.353 122.541 122.820 0.125 0.000 2.015 411 A HA -0.138 4.183 4.320 0.001 0.000 0.219 411 A C 1.764 179.365 177.584 0.028 0.000 1.163 411 A CA 1.408 53.478 52.037 0.054 0.000 0.646 411 A CB -0.631 18.383 19.000 0.022 0.000 0.806 411 A HN 0.312 nan 8.150 nan 0.000 0.448 412 N N 0.911 119.624 118.700 0.022 0.000 2.362 412 N HA -0.024 4.717 4.740 0.001 0.000 0.204 412 N C -0.488 175.023 175.510 0.002 0.000 1.166 412 N CA 0.170 53.226 53.050 0.010 0.000 0.831 412 N CB -0.158 38.332 38.487 0.005 0.000 1.008 412 N HN 0.359 nan 8.380 nan 0.000 0.472 413 N N 0.285 118.976 118.700 -0.015 0.000 2.740 413 N HA -0.202 4.538 4.740 0.001 0.000 0.248 413 N C -1.004 174.465 175.510 -0.068 0.000 1.062 413 N CA 0.513 53.540 53.050 -0.039 0.000 0.704 413 N CB -1.337 37.156 38.487 0.011 0.000 0.968 413 N HN 0.311 nan 8.380 nan 0.000 0.547 414 L N 0.181 121.324 121.223 -0.132 0.000 2.409 414 L HA 0.571 4.912 4.340 0.001 0.000 0.272 414 L C -0.681 175.999 176.870 -0.317 0.000 0.980 414 L CA -0.714 54.023 54.840 -0.171 0.000 0.826 414 L CB 1.257 43.255 42.059 -0.101 0.000 1.268 414 L HN -0.000 nan 8.230 nan 0.000 0.407 415 I N 6.173 126.517 120.570 -0.376 0.000 2.291 415 I HA 0.366 4.536 4.170 0.001 0.000 0.292 415 I C -0.133 175.869 176.117 -0.191 0.000 1.064 415 I CA 0.168 61.198 61.300 -0.449 0.000 1.269 415 I CB 0.516 38.263 38.000 -0.421 0.000 1.418 415 I HN 0.775 nan 8.210 nan 0.000 0.485 416 M N 6.895 126.480 119.600 -0.026 0.000 2.386 416 M HA 0.437 4.918 4.480 0.001 0.000 0.293 416 M C -0.942 175.413 176.300 0.093 0.000 1.120 416 M CA -0.592 54.699 55.300 -0.016 0.000 0.909 416 M CB 2.775 35.365 32.600 -0.017 0.000 1.661 416 M HN 0.571 nan 8.290 nan 0.000 0.452 417 R N 2.097 122.599 120.500 0.003 0.000 2.758 417 R HA 0.556 4.896 4.340 0.001 0.000 0.265 417 R C -1.354 174.990 176.300 0.074 0.000 1.016 417 R CA -0.370 55.752 56.100 0.037 0.000 1.040 417 R CB 1.276 31.526 30.300 -0.084 0.000 1.152 417 R HN 0.971 nan 8.270 nan 0.000 0.503 418 H N -1.337 117.714 119.070 -0.032 0.000 2.621 418 H HA 0.615 5.172 4.556 0.001 0.000 0.360 418 H C -1.345 173.989 175.328 0.010 0.000 1.163 418 H CA -0.988 55.054 56.048 -0.010 0.000 1.194 418 H CB 1.947 31.699 29.762 -0.018 0.000 1.649 418 H HN 0.151 nan 8.280 nan 0.000 0.532 419 V N 3.518 123.405 119.914 -0.045 0.000 2.447 419 V HA 0.461 4.582 4.120 0.001 0.000 0.292 419 V C 1.127 177.252 176.094 0.052 0.000 1.021 419 V CA 0.028 62.280 62.300 -0.079 0.000 0.850 419 V CB 0.534 32.352 31.823 -0.009 0.000 1.005 419 V HN 1.368 nan 8.190 nan 0.000 0.426 420 G N 4.773 113.619 108.800 0.077 0.000 2.672 420 G HA2 -0.290 3.671 3.960 0.001 0.000 0.324 420 G HA3 -0.290 3.671 3.960 0.001 0.000 0.324 420 G C 0.305 175.334 174.900 0.215 0.000 1.286 420 G CA 0.869 46.062 45.100 0.156 0.000 1.004 420 G HN 0.671 nan 8.290 nan 0.000 0.548 421 D N 1.951 122.454 120.400 0.171 0.000 2.427 421 D HA 0.209 4.850 4.640 0.001 0.000 0.224 421 D C 1.089 177.472 176.300 0.137 0.000 1.157 421 D CA 0.174 54.267 54.000 0.156 0.000 0.828 421 D CB 0.117 41.054 40.800 0.227 0.000 0.974 421 D HN 0.376 nan 8.370 nan 0.000 0.498 422 R N 0.361 120.935 120.500 0.124 0.000 2.474 422 R HA 0.459 4.800 4.340 0.001 0.000 0.295 422 R C 0.208 176.572 176.300 0.107 0.000 0.980 422 R CA -0.659 55.496 56.100 0.092 0.000 0.934 422 R CB 1.533 31.885 30.300 0.087 0.000 1.101 422 R HN -0.155 nan 8.270 nan 0.000 0.469 423 M N 4.033 123.692 119.600 0.097 0.000 2.363 423 M HA 0.480 4.961 4.480 0.001 0.000 0.343 423 M C -0.083 176.307 176.300 0.149 0.000 1.165 423 M CA -0.815 54.549 55.300 0.107 0.000 1.046 423 M CB 1.160 33.801 32.600 0.069 0.000 1.648 423 M HN 0.613 nan 8.290 nan 0.000 0.452 424 I N 1.648 122.260 120.570 0.069 0.000 2.647 424 I HA 0.818 4.989 4.170 0.001 0.000 0.295 424 I C -0.786 175.226 176.117 -0.175 0.000 1.078 424 I CA -1.078 60.206 61.300 -0.027 0.000 1.048 424 I CB 2.234 40.202 38.000 -0.053 0.000 1.239 424 I HN 0.790 nan 8.210 nan 0.000 0.421 425 I N 1.311 121.687 120.570 -0.323 0.000 3.002 425 I HA 0.806 4.976 4.170 0.001 0.000 0.310 425 I C -0.321 175.528 176.117 -0.447 0.000 1.087 425 I CA -0.656 60.400 61.300 -0.406 0.000 1.017 425 I CB 2.318 40.081 38.000 -0.396 0.000 1.226 425 I HN 0.681 nan 8.210 nan 0.000 0.443 426 S N 3.777 119.235 115.700 -0.403 0.000 2.787 426 S HA 0.397 4.867 4.470 0.001 0.000 0.140 426 S C -2.800 171.678 174.600 -0.203 0.000 1.240 426 S CA -0.732 57.304 58.200 -0.273 0.000 1.163 426 S CB 0.231 63.208 63.200 -0.372 0.000 1.652 426 S HN 0.638 nan 8.310 nan 0.000 0.443 427 P HA 0.357 nan 4.420 nan 0.000 0.273 427 P C -2.814 174.423 177.300 -0.105 0.000 1.250 427 P CA -1.322 61.690 63.100 -0.148 0.000 0.793 427 P CB -0.668 30.954 31.700 -0.130 0.000 1.011 428 P HA 0.066 nan 4.420 nan 0.000 0.266 428 P C 1.212 178.482 177.300 -0.050 0.000 1.193 428 P CA 0.344 63.389 63.100 -0.091 0.000 0.770 428 P CB 0.157 31.792 31.700 -0.108 0.000 0.836 429 L N 2.653 123.856 121.223 -0.033 0.000 2.191 429 L HA -0.129 4.212 4.340 0.001 0.000 0.212 429 L C 1.926 178.841 176.870 0.075 0.000 1.103 429 L CA 1.241 56.084 54.840 0.003 0.000 0.769 429 L CB -0.774 41.274 42.059 -0.019 0.000 0.908 429 L HN 0.305 nan 8.230 nan 0.000 0.438 430 V N -2.450 117.467 119.914 0.005 0.000 3.510 430 V HA 0.046 4.167 4.120 0.001 0.000 0.270 430 V C 1.251 177.326 176.094 -0.032 0.000 1.201 430 V CA -0.216 62.039 62.300 -0.075 0.000 1.166 430 V CB -0.899 30.848 31.823 -0.126 0.000 0.825 430 V HN 0.221 nan 8.190 nan 0.000 0.484 431 I N 3.146 123.741 120.570 0.042 0.000 2.880 431 I HA 0.123 4.294 4.170 0.001 0.000 0.296 431 I C 1.000 177.203 176.117 0.143 0.000 1.220 431 I CA 0.821 62.142 61.300 0.034 0.000 1.435 431 I CB 0.917 38.911 38.000 -0.010 0.000 1.339 431 I HN 0.592 nan 8.210 nan 0.000 0.583 432 T N 3.758 118.353 114.554 0.070 0.000 2.927 432 T HA 0.435 4.786 4.350 0.001 0.000 0.281 432 T C -1.871 172.812 174.700 -0.029 0.000 0.998 432 T CA -1.639 60.501 62.100 0.066 0.000 1.019 432 T CB 1.422 70.305 68.868 0.026 0.000 1.061 432 T HN 0.381 nan 8.240 nan 0.000 0.518 433 P HA -0.110 nan 4.420 nan 0.000 0.216 433 P C 1.676 178.868 177.300 -0.180 0.000 1.153 433 P CA 1.721 64.504 63.100 -0.529 0.000 0.858 433 P CB -0.309 30.823 31.700 -0.946 0.000 0.789 434 A N -0.260 122.516 122.820 -0.073 0.000 1.908 434 A HA -0.264 4.057 4.320 0.001 0.000 0.218 434 A C 2.161 179.809 177.584 0.108 0.000 1.181 434 A CA 1.930 53.990 52.037 0.038 0.000 0.627 434 A CB -1.258 17.771 19.000 0.049 0.000 0.818 434 A HN 0.194 nan 8.150 nan 0.000 0.445 435 E N -0.449 119.806 120.200 0.091 0.000 2.072 435 E HA -0.096 4.254 4.350 0.001 0.000 0.191 435 E C 1.870 178.527 176.600 0.094 0.000 0.985 435 E CA 1.069 57.518 56.400 0.081 0.000 0.801 435 E CB -0.253 29.440 29.700 -0.012 0.000 0.750 435 E HN 0.692 nan 8.360 nan 0.000 0.452 436 I N 1.584 122.243 120.570 0.148 0.000 2.208 436 I HA -0.290 3.881 4.170 0.001 0.000 0.245 436 I C 1.789 178.162 176.117 0.426 0.000 1.097 436 I CA 1.008 62.491 61.300 0.305 0.000 1.363 436 I CB -0.251 37.988 38.000 0.399 0.000 1.051 436 I HN 0.070 nan 8.210 nan 0.000 0.413 437 D N 0.539 121.145 120.400 0.343 0.000 2.104 437 D HA -0.245 4.395 4.640 0.001 0.000 0.194 437 D C 2.049 178.508 176.300 0.265 0.000 0.994 437 D CA 1.423 55.602 54.000 0.299 0.000 0.830 437 D CB -0.256 40.675 40.800 0.219 0.000 0.959 437 D HN 0.293 nan 8.370 nan 0.000 0.452 438 E N 0.450 120.779 120.200 0.214 0.000 2.106 438 E HA -0.124 4.226 4.350 0.001 0.000 0.192 438 E C 2.087 178.774 176.600 0.146 0.000 0.984 438 E CA 0.627 57.140 56.400 0.188 0.000 0.806 438 E CB -0.322 29.522 29.700 0.240 0.000 0.750 438 E HN 0.235 nan 8.360 nan 0.000 0.458 439 M N -0.892 118.777 119.600 0.115 0.000 2.080 439 M HA -0.178 4.303 4.480 0.001 0.000 0.260 439 M C 1.458 177.733 176.300 -0.043 0.000 1.068 439 M CA 1.669 56.968 55.300 -0.002 0.000 1.109 439 M CB -0.178 32.396 32.600 -0.042 0.000 1.342 439 M HN 0.180 nan 8.290 nan 0.000 0.405 440 F N -0.604 119.388 119.950 0.069 0.000 2.234 440 F HA -0.159 4.368 4.527 0.001 0.000 0.299 440 F C 2.180 178.001 175.800 0.035 0.000 1.087 440 F CA 1.070 59.102 58.000 0.053 0.000 1.340 440 F CB -0.756 38.276 39.000 0.054 0.000 1.031 440 F HN -0.064 nan 8.300 nan 0.000 0.500 441 V N 0.322 120.353 119.914 0.194 0.000 2.287 441 V HA -0.314 3.806 4.120 0.001 0.000 0.248 441 V C 2.327 178.459 176.094 0.064 0.000 1.053 441 V CA 2.031 64.403 62.300 0.120 0.000 1.027 441 V CB -0.550 31.339 31.823 0.110 0.000 0.646 441 V HN 0.264 nan 8.190 nan 0.000 0.447 442 R N -0.472 120.051 120.500 0.039 0.000 2.092 442 R HA -0.020 4.321 4.340 0.001 0.000 0.231 442 R C 2.224 178.500 176.300 -0.040 0.000 1.119 442 R CA 1.384 57.486 56.100 0.002 0.000 0.970 442 R CB -0.394 29.905 30.300 -0.001 0.000 0.864 442 R HN 0.427 nan 8.270 nan 0.000 0.440 443 I N 0.695 121.211 120.570 -0.090 0.000 2.179 443 I HA -0.265 3.905 4.170 0.001 0.000 0.242 443 I C 2.526 178.574 176.117 -0.114 0.000 1.088 443 I CA 1.331 62.540 61.300 -0.151 0.000 1.357 443 I CB -0.192 37.619 38.000 -0.315 0.000 1.051 443 I HN 0.105 nan 8.210 nan 0.000 0.409 444 R N 0.713 121.189 120.500 -0.041 0.000 2.096 444 R HA -0.209 4.132 4.340 0.001 0.000 0.235 444 R C 2.262 178.570 176.300 0.014 0.000 1.127 444 R CA 1.352 57.455 56.100 0.004 0.000 0.968 444 R CB -0.460 29.890 30.300 0.083 0.000 0.861 444 R HN 0.300 nan 8.270 nan 0.000 0.440 445 K N 0.870 121.278 120.400 0.014 0.000 2.026 445 K HA -0.062 4.258 4.320 0.001 0.000 0.208 445 K C 2.071 178.669 176.600 -0.004 0.000 1.048 445 K CA 1.887 58.185 56.287 0.017 0.000 0.929 445 K CB -0.025 32.486 32.500 0.018 0.000 0.713 445 K HN -0.059 nan 8.250 nan 0.000 0.439 446 S N 0.899 116.579 115.700 -0.033 0.000 2.368 446 S HA -0.085 4.386 4.470 0.001 0.000 0.225 446 S C 1.830 176.385 174.600 -0.075 0.000 1.030 446 S CA 1.328 59.497 58.200 -0.051 0.000 0.999 446 S CB -0.326 62.838 63.200 -0.060 0.000 0.844 446 S HN 0.252 nan 8.310 nan 0.000 0.459 447 L N 1.333 122.475 121.223 -0.134 0.000 2.046 447 L HA -0.159 4.181 4.340 0.001 0.000 0.208 447 L C 2.158 179.015 176.870 -0.022 0.000 1.077 447 L CA 1.144 55.834 54.840 -0.251 0.000 0.747 447 L CB -0.630 41.020 42.059 -0.682 0.000 0.896 447 L HN 0.211 nan 8.230 nan 0.000 0.432 448 D N 0.003 120.472 120.400 0.114 0.000 2.084 448 D HA -0.182 4.459 4.640 0.001 0.000 0.194 448 D C 2.119 178.469 176.300 0.084 0.000 0.990 448 D CA 1.219 55.328 54.000 0.182 0.000 0.826 448 D CB -0.086 40.790 40.800 0.127 0.000 0.971 448 D HN 0.358 nan 8.370 nan 0.000 0.453 449 E N 0.623 120.845 120.200 0.037 0.000 2.077 449 E HA -0.123 4.227 4.350 0.001 0.000 0.193 449 E C 2.103 178.704 176.600 0.000 0.000 0.989 449 E CA 0.967 57.375 56.400 0.013 0.000 0.800 449 E CB -0.066 29.633 29.700 -0.002 0.000 0.746 449 E HN 0.189 nan 8.360 nan 0.000 0.452 450 A N 1.466 124.277 122.820 -0.015 0.000 1.883 450 A HA -0.296 4.025 4.320 0.001 0.000 0.217 450 A C 2.169 179.753 177.584 -0.000 0.000 1.186 450 A CA 1.765 53.781 52.037 -0.035 0.000 0.624 450 A CB -0.617 18.339 19.000 -0.072 0.000 0.822 450 A HN 0.242 nan 8.150 nan 0.000 0.444 451 Q N -0.566 119.267 119.800 0.056 0.000 2.096 451 Q HA -0.167 4.174 4.340 0.001 0.000 0.204 451 Q C 2.201 178.234 176.000 0.054 0.000 0.982 451 Q CA 1.693 57.550 55.803 0.091 0.000 0.850 451 Q CB -0.340 28.499 28.738 0.168 0.000 0.901 451 Q HN 0.608 nan 8.270 nan 0.000 0.422 452 A N 0.866 123.709 122.820 0.040 0.000 1.902 452 A HA -0.219 4.102 4.320 0.001 0.000 0.217 452 A C 1.795 179.388 177.584 0.014 0.000 1.181 452 A CA 1.635 53.686 52.037 0.025 0.000 0.623 452 A CB -0.501 18.511 19.000 0.019 0.000 0.818 452 A HN 0.531 nan 8.150 nan 0.000 0.443 453 E N -0.381 119.821 120.200 0.004 0.000 2.077 453 E HA -0.154 4.196 4.350 0.001 0.000 0.193 453 E C 1.907 178.502 176.600 -0.008 0.000 0.989 453 E CA 1.263 57.659 56.400 -0.008 0.000 0.800 453 E CB -0.306 29.380 29.700 -0.023 0.000 0.746 453 E HN 0.704 nan 8.360 nan 0.000 0.452 454 I N 1.325 121.890 120.570 -0.009 0.000 2.179 454 I HA -0.278 3.892 4.170 0.001 0.000 0.242 454 I C 2.262 178.399 176.117 0.034 0.000 1.088 454 I CA 1.332 62.629 61.300 -0.004 0.000 1.357 454 I CB -0.234 37.761 38.000 -0.008 0.000 1.051 454 I HN 0.082 nan 8.210 nan 0.000 0.409 455 E N 0.748 120.974 120.200 0.043 0.000 2.077 455 E HA -0.247 4.103 4.350 0.001 0.000 0.193 455 E C 2.196 178.813 176.600 0.028 0.000 0.989 455 E CA 1.206 57.632 56.400 0.043 0.000 0.800 455 E CB -0.055 29.668 29.700 0.038 0.000 0.746 455 E HN 0.384 nan 8.360 nan 0.000 0.452 456 K N 0.548 120.959 120.400 0.018 0.000 2.097 456 K HA -0.137 4.184 4.320 0.001 0.000 0.206 456 K C 1.878 178.484 176.600 0.010 0.000 1.049 456 K CA 1.080 57.374 56.287 0.012 0.000 0.933 456 K CB 0.062 32.566 32.500 0.007 0.000 0.717 456 K HN 0.100 nan 8.250 nan 0.000 0.442 457 Q N -0.542 119.263 119.800 0.009 0.000 2.365 457 Q HA 0.073 4.414 4.340 0.001 0.000 0.203 457 Q C 0.397 176.405 176.000 0.013 0.000 0.929 457 Q CA 0.318 56.124 55.803 0.005 0.000 0.948 457 Q CB 0.752 29.487 28.738 -0.005 0.000 1.043 457 Q HN 0.463 nan 8.270 nan 0.000 0.505 458 G N 1.207 110.021 108.800 0.023 0.000 2.273 458 G HA2 -0.266 3.695 3.960 0.001 0.000 0.280 458 G HA3 -0.266 3.695 3.960 0.001 0.000 0.280 458 G C 0.370 175.299 174.900 0.049 0.000 1.047 458 G CA 0.181 45.301 45.100 0.033 0.000 0.869 458 G HN 0.418 nan 8.290 nan 0.000 0.502 459 L N -0.781 120.478 121.223 0.059 0.000 2.640 459 L HA 0.329 4.670 4.340 0.001 0.000 0.230 459 L C 1.601 178.599 176.870 0.214 0.000 1.123 459 L CA -0.354 54.539 54.840 0.089 0.000 0.900 459 L CB 0.110 42.175 42.059 0.010 0.000 1.146 459 L HN 0.228 nan 8.230 nan 0.000 0.484 460 M N 1.911 121.627 119.600 0.194 0.000 3.596 460 M HA 0.106 4.587 4.480 0.001 0.000 0.212 460 M C -0.215 176.171 176.300 0.144 0.000 1.519 460 M CA 0.765 56.211 55.300 0.243 0.000 1.670 460 M CB -0.981 31.708 32.600 0.148 0.000 1.113 460 M HN 0.025 nan 8.290 nan 0.000 0.565 461 K N 0.477 120.983 120.400 0.177 0.000 2.471 461 K HA 0.416 4.736 4.320 0.001 0.000 0.252 461 K C -0.610 176.003 176.600 0.022 0.000 0.938 461 K CA -0.276 56.058 56.287 0.079 0.000 0.796 461 K CB 1.613 34.166 32.500 0.088 0.000 1.161 461 K HN 0.235 nan 8.250 nan 0.000 0.425 462 S N 2.145 117.815 115.700 -0.051 0.000 2.576 462 S HA 0.014 4.484 4.470 0.001 0.000 0.276 462 S C 0.047 174.626 174.600 -0.036 0.000 1.339 462 S CA -0.545 57.599 58.200 -0.092 0.000 1.039 462 S CB 1.134 64.276 63.200 -0.096 0.000 0.902 462 S HN 0.684 nan 8.310 nan 0.000 0.516 463 E N 0.000 120.179 120.200 -0.035 0.000 2.725 463 E HA 0.000 4.351 4.350 0.001 0.000 0.291 463 E CA 0.000 56.392 56.400 -0.013 0.000 0.976 463 E CB 0.000 29.699 29.700 -0.001 0.000 0.812 463 E HN 0.000 nan 8.360 nan 0.000 0.440