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 1kj9_1_B DATA FIRST_RESID 2 DATA SEQUENCE TLLGTALRPA ATRVMLLGSG ELGKEVAIEC QRLGVEVIAV DRYADAPAMH DATA SEQUENCE VAHRSHVINM LDGDALRRVV ELEKPHYIVP EIEAIATDML IQLEEEGLNV DATA SEQUENCE VPCARATKLT MNREGIRRLA AEELQLPTST YRFADSESLF REAVADIGYP DATA SEQUENCE CIVKPVMSSS GKGQTFIRSA EQLAQAWKYA QQGGXXXXGR VIVEGVVKFD DATA SEQUENCE FEITLLTVSA VDGVHFCAPV GHRQEDGDYR ESWQPQQMSP LALERAQEIA DATA SEQUENCE RKVVLALGGY GLFGVELFVC GDEVIFSEVS PRPHDTGMVT LISQDLSEFA DATA SEQUENCE LHVRAFLGLP VGGIRQYGPA ASAVILPQLT SQNVTFDNVQ NAVGADLQIR DATA SEQUENCE LFGKPEIDGS RRLGVALATA ESVVDAIERA KHAAGQVKVQ G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.706 174.700 0.011 0.000 1.109 2 T CA 0.000 62.114 62.100 0.024 0.000 1.349 2 T CB 0.000 68.879 68.868 0.018 0.000 0.612 3 L N 4.538 125.768 121.223 0.011 0.000 2.333 3 L HA 0.801 5.141 4.340 0.001 0.000 0.280 3 L C -1.537 175.328 176.870 -0.009 0.000 1.004 3 L CA -0.505 54.333 54.840 -0.003 0.000 0.820 3 L CB 0.914 42.967 42.059 -0.010 0.000 1.247 3 L HN 0.644 nan 8.230 nan 0.000 0.416 4 L N 5.225 126.443 121.223 -0.009 0.000 2.341 4 L HA 0.717 5.057 4.340 0.001 0.000 0.278 4 L C 0.771 177.634 176.870 -0.010 0.000 1.005 4 L CA -0.606 54.230 54.840 -0.007 0.000 0.818 4 L CB 1.678 43.737 42.059 -0.000 0.000 1.259 4 L HN 0.779 nan 8.230 nan 0.000 0.418 5 G N 1.394 110.185 108.800 -0.015 0.000 2.510 5 G HA2 0.459 4.420 3.960 0.001 0.000 0.280 5 G HA3 0.459 4.420 3.960 0.001 0.000 0.280 5 G C -0.581 174.322 174.900 0.004 0.000 1.386 5 G CA -0.253 44.843 45.100 -0.006 0.000 1.047 5 G HN 0.444 nan 8.290 nan 0.000 0.527 6 T N 0.608 115.164 114.554 0.003 0.000 2.771 6 T HA 0.575 4.926 4.350 0.001 0.000 0.281 6 T C 0.544 175.237 174.700 -0.012 0.000 0.982 6 T CA 0.069 62.171 62.100 0.004 0.000 0.978 6 T CB 1.248 70.119 68.868 0.004 0.000 0.930 6 T HN 0.833 nan 8.240 nan 0.000 0.447 7 A N 3.415 126.220 122.820 -0.024 0.000 2.561 7 A HA 0.403 4.723 4.320 0.001 0.000 0.234 7 A C 1.310 178.808 177.584 -0.144 0.000 1.055 7 A CA 0.156 52.118 52.037 -0.125 0.000 0.756 7 A CB -0.652 18.229 19.000 -0.200 0.000 0.986 7 A HN 1.173 nan 8.150 nan 0.000 0.505 8 L N -1.005 120.109 121.223 -0.182 0.000 5.060 8 L HA -0.197 4.144 4.340 0.001 0.000 0.408 8 L C 0.662 177.503 176.870 -0.048 0.000 0.917 8 L CA 0.893 55.665 54.840 -0.115 0.000 1.627 8 L CB -1.245 40.759 42.059 -0.091 0.000 1.732 8 L HN 0.787 nan 8.230 nan 0.000 0.611 9 R N 0.218 120.698 120.500 -0.034 0.000 2.596 9 R HA 0.410 4.751 4.340 0.001 0.000 0.267 9 R C -1.306 174.993 176.300 -0.001 0.000 1.026 9 R CA -2.237 53.856 56.100 -0.012 0.000 1.087 9 R CB -0.208 30.088 30.300 -0.006 0.000 1.132 9 R HN -0.243 nan 8.270 nan 0.000 0.531 10 P HA -0.084 nan 4.420 nan 0.000 0.216 10 P C 0.423 177.739 177.300 0.027 0.000 1.150 10 P CA 1.406 64.514 63.100 0.013 0.000 0.837 10 P CB 0.187 31.893 31.700 0.010 0.000 0.786 11 A N -1.170 121.662 122.820 0.021 0.000 2.370 11 A HA 0.506 4.827 4.320 0.001 0.000 0.238 11 A C 1.002 178.603 177.584 0.029 0.000 1.289 11 A CA -0.068 51.984 52.037 0.025 0.000 0.885 11 A CB -1.106 17.899 19.000 0.008 0.000 0.961 11 A HN 0.215 nan 8.150 nan 0.000 0.499 12 A N -0.006 122.839 122.820 0.043 0.000 2.507 12 A HA 0.421 4.741 4.320 0.001 0.000 0.235 12 A C 0.577 178.228 177.584 0.112 0.000 1.070 12 A CA 0.548 52.615 52.037 0.050 0.000 0.768 12 A CB -0.162 18.853 19.000 0.026 0.000 1.011 12 A HN 0.317 nan 8.150 nan 0.000 0.502 13 T N 2.924 117.521 114.554 0.073 0.000 2.743 13 T HA 0.429 4.779 4.350 0.001 0.000 0.293 13 T C 0.116 175.009 174.700 0.322 0.000 0.945 13 T CA -0.052 62.092 62.100 0.072 0.000 1.030 13 T CB 0.287 69.186 68.868 0.050 0.000 0.912 13 T HN 0.585 nan 8.240 nan 0.000 0.483 14 R N 2.268 123.177 120.500 0.680 0.000 2.387 14 R HA 0.611 4.952 4.340 0.001 0.000 0.314 14 R C -1.083 175.423 176.300 0.344 0.000 0.958 14 R CA -0.683 55.629 56.100 0.352 0.000 0.846 14 R CB 1.642 32.011 30.300 0.115 0.000 1.147 14 R HN 0.351 nan 8.270 nan 0.000 0.447 15 V N 4.802 124.876 119.914 0.265 0.000 2.417 15 V HA 0.365 4.486 4.120 0.001 0.000 0.291 15 V C -0.167 176.005 176.094 0.129 0.000 1.024 15 V CA -0.676 61.760 62.300 0.227 0.000 0.861 15 V CB 1.702 33.666 31.823 0.234 0.000 0.985 15 V HN 0.731 nan 8.190 nan 0.000 0.436 16 M N 6.604 126.248 119.600 0.074 0.000 2.114 16 M HA 0.562 5.043 4.480 0.001 0.000 0.332 16 M C -1.533 174.781 176.300 0.022 0.000 1.014 16 M CA -0.438 54.891 55.300 0.047 0.000 0.956 16 M CB 0.946 33.557 32.600 0.019 0.000 1.551 16 M HN 0.502 nan 8.290 nan 0.000 0.427 17 L N 6.502 127.745 121.223 0.033 0.000 2.265 17 L HA 0.383 4.723 4.340 0.001 0.000 0.288 17 L C -0.766 176.108 176.870 0.008 0.000 1.058 17 L CA -0.457 54.395 54.840 0.018 0.000 0.809 17 L CB 0.885 42.959 42.059 0.025 0.000 1.179 17 L HN 0.735 nan 8.230 nan 0.000 0.429 18 L N 4.531 125.753 121.223 -0.002 0.000 2.314 18 L HA 0.570 4.910 4.340 0.001 0.000 0.275 18 L C 0.363 177.229 176.870 -0.006 0.000 1.068 18 L CA -0.382 54.455 54.840 -0.005 0.000 0.894 18 L CB 0.665 42.718 42.059 -0.010 0.000 1.275 18 L HN 0.893 nan 8.230 nan 0.000 0.432 19 G N 1.178 109.972 108.800 -0.011 0.000 3.326 19 G HA2 -0.121 3.839 3.960 0.001 0.000 0.681 19 G HA3 -0.121 3.839 3.960 0.001 0.000 0.681 19 G C -0.257 174.623 174.900 -0.033 0.000 1.255 19 G CA -0.826 44.265 45.100 -0.015 0.000 0.976 19 G HN 0.378 nan 8.290 nan 0.000 0.563 20 S N 1.245 116.910 115.700 -0.058 0.000 2.581 20 S HA 0.554 5.024 4.470 0.001 0.000 0.245 20 S C 1.270 175.816 174.600 -0.089 0.000 1.115 20 S CA 0.197 58.347 58.200 -0.083 0.000 1.093 20 S CB 0.666 63.797 63.200 -0.115 0.000 0.853 20 S HN 1.338 nan 8.310 nan 0.000 0.479 21 G N 1.957 110.711 108.800 -0.077 0.000 2.535 21 G HA2 0.229 4.189 3.960 0.001 0.000 0.282 21 G HA3 0.229 4.189 3.960 0.001 0.000 0.282 21 G C 0.991 175.745 174.900 -0.243 0.000 1.350 21 G CA -0.404 44.631 45.100 -0.108 0.000 1.039 21 G HN 0.379 nan 8.290 nan 0.000 0.509 22 E N -0.546 119.398 120.200 -0.425 0.000 2.209 22 E HA -0.155 4.196 4.350 0.001 0.000 0.196 22 E C 2.265 178.527 176.600 -0.564 0.000 0.993 22 E CA 0.928 56.886 56.400 -0.737 0.000 0.819 22 E CB -0.307 28.332 29.700 -1.767 0.000 0.745 22 E HN 0.483 nan 8.360 nan 0.000 0.477 23 L N 0.653 121.656 121.223 -0.366 0.000 2.044 23 L HA 0.026 4.367 4.340 0.001 0.000 0.205 23 L C 2.802 179.506 176.870 -0.278 0.000 1.075 23 L CA 1.186 55.862 54.840 -0.273 0.000 0.747 23 L CB -0.922 41.159 42.059 0.036 0.000 0.903 23 L HN 0.246 nan 8.230 nan 0.000 0.435 24 G N 0.126 108.829 108.800 -0.161 0.000 2.442 24 G HA2 -0.294 3.666 3.960 0.001 0.000 0.219 24 G HA3 -0.294 3.666 3.960 0.001 0.000 0.219 24 G C 1.691 176.504 174.900 -0.144 0.000 1.141 24 G CA 0.745 45.788 45.100 -0.094 0.000 0.763 24 G HN 0.265 nan 8.290 nan 0.000 0.554 25 K N 0.147 120.411 120.400 -0.226 0.000 2.063 25 K HA -0.119 4.201 4.320 0.001 0.000 0.208 25 K C 2.345 178.801 176.600 -0.240 0.000 1.048 25 K CA 1.392 57.551 56.287 -0.213 0.000 0.928 25 K CB -0.051 32.306 32.500 -0.237 0.000 0.713 25 K HN 0.190 nan 8.250 nan 0.000 0.442 26 E N 0.201 120.136 120.200 -0.442 0.000 2.152 26 E HA -0.110 4.241 4.350 0.001 0.000 0.192 26 E C 2.078 178.565 176.600 -0.188 0.000 0.983 26 E CA 0.753 56.871 56.400 -0.470 0.000 0.818 26 E CB 0.024 29.093 29.700 -1.051 0.000 0.758 26 E HN 0.140 nan 8.360 nan 0.000 0.467 27 V N 1.695 121.550 119.914 -0.098 0.000 2.343 27 V HA -0.244 3.877 4.120 0.001 0.000 0.247 27 V C 2.481 178.620 176.094 0.075 0.000 1.051 27 V CA 1.720 64.092 62.300 0.120 0.000 1.036 27 V CB -0.835 31.125 31.823 0.229 0.000 0.654 27 V HN 0.223 nan 8.190 nan 0.000 0.451 28 A N 0.096 122.927 122.820 0.018 0.000 1.883 28 A HA -0.225 4.095 4.320 0.001 0.000 0.217 28 A C 2.191 179.777 177.584 0.004 0.000 1.186 28 A CA 2.148 54.196 52.037 0.018 0.000 0.624 28 A CB -0.609 18.383 19.000 -0.015 0.000 0.822 28 A HN 0.500 nan 8.150 nan 0.000 0.444 29 I N -0.296 120.259 120.570 -0.025 0.000 2.163 29 I HA -0.254 3.916 4.170 0.001 0.000 0.243 29 I C 2.430 178.549 176.117 0.005 0.000 1.085 29 I CA 1.470 62.759 61.300 -0.019 0.000 1.347 29 I CB -0.349 37.630 38.000 -0.034 0.000 1.044 29 I HN 0.317 nan 8.210 nan 0.000 0.408 30 E N 0.083 120.295 120.200 0.020 0.000 2.150 30 E HA -0.180 4.170 4.350 0.001 0.000 0.193 30 E C 2.364 178.967 176.600 0.006 0.000 0.985 30 E CA 1.126 57.539 56.400 0.021 0.000 0.814 30 E CB -0.482 29.245 29.700 0.044 0.000 0.752 30 E HN 0.545 nan 8.360 nan 0.000 0.466 31 C N 1.107 120.426 119.300 0.031 0.000 2.453 31 C HA -0.069 4.391 4.460 0.001 0.000 0.277 31 C C 2.618 177.643 174.990 0.057 0.000 1.262 31 C CA 0.367 59.413 59.018 0.047 0.000 1.718 31 C CB -0.613 27.194 27.740 0.112 0.000 2.031 31 C HN 0.441 nan 8.230 nan 0.000 0.480 32 Q N 0.510 120.342 119.800 0.053 0.000 2.181 32 Q HA -0.158 4.183 4.340 0.001 0.000 0.205 32 Q C 2.176 178.200 176.000 0.040 0.000 0.980 32 Q CA 1.308 57.144 55.803 0.054 0.000 0.862 32 Q CB -0.423 28.313 28.738 -0.004 0.000 0.905 32 Q HN 0.669 nan 8.270 nan 0.000 0.429 33 R N 0.042 120.555 120.500 0.021 0.000 2.237 33 R HA -0.004 4.336 4.340 0.001 0.000 0.219 33 R C 1.574 177.880 176.300 0.011 0.000 1.080 33 R CA 0.549 56.657 56.100 0.013 0.000 0.995 33 R CB 0.069 30.372 30.300 0.006 0.000 0.875 33 R HN 0.178 nan 8.270 nan 0.000 0.462 34 L N -0.964 120.266 121.223 0.012 0.000 2.728 34 L HA 0.304 4.644 4.340 0.001 0.000 0.238 34 L C 0.862 177.748 176.870 0.027 0.000 1.143 34 L CA -0.044 54.799 54.840 0.005 0.000 0.937 34 L CB 0.830 42.876 42.059 -0.022 0.000 1.225 34 L HN 0.285 nan 8.230 nan 0.000 0.507 35 G N 0.872 109.703 108.800 0.052 0.000 2.179 35 G HA2 -0.251 3.709 3.960 0.001 0.000 0.257 35 G HA3 -0.251 3.709 3.960 0.001 0.000 0.257 35 G C 0.177 175.127 174.900 0.084 0.000 1.010 35 G CA 0.187 45.331 45.100 0.073 0.000 0.736 35 G HN 0.145 nan 8.290 nan 0.000 0.513 36 V N 0.284 120.260 119.914 0.104 0.000 2.583 36 V HA 0.332 4.453 4.120 0.001 0.000 0.287 36 V C 0.913 177.119 176.094 0.186 0.000 1.051 36 V CA -0.392 61.981 62.300 0.122 0.000 1.010 36 V CB 1.751 33.645 31.823 0.118 0.000 0.988 36 V HN 0.464 nan 8.190 nan 0.000 0.478 37 E N 3.404 123.674 120.200 0.116 0.000 2.290 37 E HA 0.334 4.685 4.350 0.001 0.000 0.277 37 E C -1.190 175.554 176.600 0.240 0.000 1.035 37 E CA -0.289 56.133 56.400 0.036 0.000 0.873 37 E CB 1.057 30.694 29.700 -0.104 0.000 1.029 37 E HN 0.507 nan 8.360 nan 0.000 0.419 38 V N 6.391 126.592 119.914 0.477 0.000 2.448 38 V HA 0.345 4.465 4.120 0.001 0.000 0.295 38 V C -0.359 175.860 176.094 0.209 0.000 1.025 38 V CA -0.746 61.718 62.300 0.273 0.000 0.859 38 V CB 1.332 33.260 31.823 0.174 0.000 0.988 38 V HN 0.554 nan 8.190 nan 0.000 0.431 39 I N 4.318 124.974 120.570 0.142 0.000 2.354 39 I HA 0.656 4.826 4.170 0.001 0.000 0.286 39 I C 0.449 176.619 176.117 0.088 0.000 1.007 39 I CA -0.127 61.244 61.300 0.118 0.000 1.167 39 I CB 1.703 39.787 38.000 0.141 0.000 1.320 39 I HN 0.669 nan 8.210 nan 0.000 0.458 40 A N 6.542 129.392 122.820 0.050 0.000 2.260 40 A HA 0.811 5.131 4.320 0.001 0.000 0.308 40 A C -0.463 177.132 177.584 0.018 0.000 1.254 40 A CA -0.480 51.569 52.037 0.020 0.000 0.874 40 A CB 0.659 19.652 19.000 -0.012 0.000 1.153 40 A HN 0.444 nan 8.150 nan 0.000 0.527 41 V N 3.177 123.103 119.914 0.020 0.000 2.555 41 V HA 0.617 4.738 4.120 0.001 0.000 0.302 41 V C -0.385 175.692 176.094 -0.028 0.000 1.038 41 V CA -0.460 61.854 62.300 0.023 0.000 0.887 41 V CB 1.782 33.633 31.823 0.045 0.000 0.991 41 V HN 1.031 nan 8.190 nan 0.000 0.434 42 D N 1.361 121.730 120.400 -0.051 0.000 2.692 42 D HA 0.322 4.962 4.640 0.001 0.000 0.303 42 D C 0.257 176.536 176.300 -0.036 0.000 1.278 42 D CA -0.598 53.352 54.000 -0.083 0.000 0.852 42 D CB 2.037 42.696 40.800 -0.236 0.000 1.375 42 D HN 0.540 nan 8.370 nan 0.000 0.453 43 R N -0.115 120.406 120.500 0.034 0.000 2.317 43 R HA 0.196 4.536 4.340 0.001 0.000 0.208 43 R C -0.034 176.376 176.300 0.184 0.000 0.914 43 R CA 0.135 56.298 56.100 0.104 0.000 1.060 43 R CB -0.284 30.092 30.300 0.126 0.000 1.015 43 R HN 0.353 nan 8.270 nan 0.000 0.498 44 Y N -2.884 117.431 120.300 0.025 0.000 2.571 44 Y HA 0.775 5.324 4.550 -0.002 0.000 0.341 44 Y C -0.884 175.035 175.900 0.032 0.000 1.076 44 Y CA -1.926 56.190 58.100 0.027 0.000 1.029 44 Y CB 0.984 39.461 38.460 0.027 0.000 1.308 44 Y HN -0.038 nan 8.280 nan 0.000 0.461 45 A N 1.746 124.607 122.820 0.069 0.000 2.371 45 A HA 0.453 4.773 4.320 0.001 0.000 0.257 45 A C 0.038 177.630 177.584 0.014 0.000 1.089 45 A CA 0.330 52.361 52.037 -0.009 0.000 0.794 45 A CB -0.416 18.607 19.000 0.038 0.000 1.029 45 A HN 0.989 nan 8.150 nan 0.000 0.488 46 D N -1.322 119.059 120.400 -0.032 0.000 2.870 46 D HA -0.161 4.479 4.640 0.001 0.000 0.228 46 D C 0.404 176.811 176.300 0.180 0.000 1.147 46 D CA 1.376 55.416 54.000 0.067 0.000 0.757 46 D CB -2.050 38.804 40.800 0.089 0.000 1.091 46 D HN 1.105 nan 8.370 nan 0.000 0.429 47 A N 0.100 122.839 122.820 -0.136 0.000 2.483 47 A HA 0.365 4.685 4.320 0.001 0.000 0.238 47 A C -0.804 176.787 177.584 0.010 0.000 1.070 47 A CA -0.562 51.349 52.037 -0.211 0.000 0.770 47 A CB 0.350 18.997 19.000 -0.588 0.000 1.008 47 A HN -0.059 nan 8.150 nan 0.000 0.497 48 P HA -0.304 nan 4.420 nan 0.000 0.219 48 P C 1.612 178.839 177.300 -0.122 0.000 1.161 48 P CA 2.906 65.879 63.100 -0.213 0.000 0.909 48 P CB 0.045 31.645 31.700 -0.167 0.000 0.793 49 A N -1.404 121.364 122.820 -0.087 0.000 2.019 49 A HA -0.186 4.135 4.320 0.001 0.000 0.219 49 A C 2.128 179.710 177.584 -0.004 0.000 1.164 49 A CA 1.864 53.867 52.037 -0.058 0.000 0.644 49 A CB -1.433 17.527 19.000 -0.066 0.000 0.805 49 A HN 0.163 nan 8.150 nan 0.000 0.449 50 M N -1.313 118.302 119.600 0.025 0.000 2.296 50 M HA -0.127 4.353 4.480 0.001 0.000 0.265 50 M C 1.828 178.171 176.300 0.071 0.000 1.064 50 M CA 1.152 56.467 55.300 0.025 0.000 1.109 50 M CB -0.650 31.942 32.600 -0.013 0.000 1.396 50 M HN 0.533 nan 8.290 nan 0.000 0.430 51 H N -0.416 118.620 119.070 -0.057 0.000 2.421 51 H HA -0.063 4.494 4.556 0.000 0.000 0.298 51 H C 1.808 177.101 175.328 -0.059 0.000 1.087 51 H CA 1.619 57.641 56.048 -0.043 0.000 1.330 51 H CB 0.172 29.921 29.762 -0.020 0.000 1.388 51 H HN 0.395 nan 8.280 nan 0.000 0.526 52 V N -1.832 118.120 119.914 0.064 0.000 3.376 52 V HA 0.531 4.651 4.120 0.001 0.000 0.313 52 V C 0.856 176.892 176.094 -0.096 0.000 1.393 52 V CA -0.096 62.189 62.300 -0.025 0.000 1.125 52 V CB -0.163 31.643 31.823 -0.028 0.000 1.037 52 V HN 0.229 nan 8.190 nan 0.000 0.440 53 A N -0.274 122.495 122.820 -0.084 0.000 2.256 53 A HA 0.674 4.994 4.320 0.001 0.000 0.318 53 A C 0.760 178.236 177.584 -0.180 0.000 1.103 53 A CA -0.147 51.825 52.037 -0.108 0.000 0.860 53 A CB 0.463 19.446 19.000 -0.028 0.000 1.182 53 A HN 0.478 nan 8.150 nan 0.000 0.501 54 H N -0.203 118.871 119.070 0.005 0.000 2.395 54 H HA 0.078 4.634 4.556 0.000 0.000 0.299 54 H C 0.944 176.257 175.328 -0.024 0.000 1.070 54 H CA 1.929 57.977 56.048 -0.001 0.000 1.356 54 H CB 0.116 29.887 29.762 0.014 0.000 1.401 54 H HN 0.668 nan 8.280 nan 0.000 0.524 55 R N -0.686 119.858 120.500 0.073 0.000 2.728 55 R HA 0.502 4.843 4.340 0.001 0.000 0.274 55 R C -1.498 174.742 176.300 -0.100 0.000 1.030 55 R CA -0.559 55.520 56.100 -0.035 0.000 0.876 55 R CB 1.484 31.756 30.300 -0.047 0.000 1.259 55 R HN 0.131 nan 8.270 nan 0.000 0.468 56 S N -0.163 115.390 115.700 -0.244 0.000 2.638 56 S HA 0.645 5.116 4.470 0.001 0.000 0.274 56 S C -1.187 173.082 174.600 -0.552 0.000 1.157 56 S CA -0.909 57.137 58.200 -0.256 0.000 0.826 56 S CB 1.965 65.080 63.200 -0.142 0.000 1.139 56 S HN 0.736 nan 8.310 nan 0.000 0.474 57 H N -0.645 118.408 119.070 -0.028 0.000 2.894 57 H HA 0.542 5.099 4.556 0.001 0.000 0.367 57 H C -1.457 173.848 175.328 -0.038 0.000 1.144 57 H CA -0.620 55.412 56.048 -0.026 0.000 1.180 57 H CB 1.997 31.748 29.762 -0.019 0.000 1.758 57 H HN 0.525 nan 8.280 nan 0.000 0.541 58 V N 5.173 125.139 119.914 0.086 0.000 2.347 58 V HA 0.366 4.487 4.120 0.001 0.000 0.280 58 V C 0.491 176.617 176.094 0.053 0.000 1.021 58 V CA -0.388 61.935 62.300 0.039 0.000 0.847 58 V CB 0.666 32.501 31.823 0.020 0.000 0.990 58 V HN 0.581 nan 8.190 nan 0.000 0.444 59 I N 1.530 122.125 120.570 0.040 0.000 3.279 59 I HA 0.669 4.840 4.170 0.001 0.000 0.315 59 I C -0.754 175.380 176.117 0.028 0.000 1.225 59 I CA -1.082 60.236 61.300 0.030 0.000 0.947 59 I CB 2.507 40.515 38.000 0.014 0.000 1.293 59 I HN 0.385 nan 8.210 nan 0.000 0.468 60 N N 2.684 121.397 118.700 0.021 0.000 2.469 60 N HA 0.367 5.107 4.740 0.001 0.000 0.239 60 N C 0.261 175.778 175.510 0.012 0.000 1.053 60 N CA -0.390 52.673 53.050 0.021 0.000 0.937 60 N CB 0.683 39.181 38.487 0.018 0.000 1.163 60 N HN 0.779 nan 8.380 nan 0.000 0.509 61 M N 2.561 122.169 119.600 0.015 0.000 2.629 61 M HA -0.083 4.397 4.480 0.001 0.000 0.257 61 M C 1.020 177.322 176.300 0.002 0.000 1.071 61 M CA 1.051 56.355 55.300 0.006 0.000 1.077 61 M CB 0.029 32.633 32.600 0.007 0.000 1.423 61 M HN 0.469 nan 8.290 nan 0.000 0.508 62 L N -0.738 120.488 121.223 0.005 0.000 2.509 62 L HA 0.041 4.381 4.340 0.001 0.000 0.222 62 L C 0.670 177.540 176.870 -0.001 0.000 1.123 62 L CA -0.040 54.801 54.840 0.002 0.000 0.856 62 L CB -0.107 41.955 42.059 0.005 0.000 0.985 62 L HN 0.100 nan 8.230 nan 0.000 0.456 63 D N 0.449 120.849 120.400 -0.001 0.000 2.393 63 D HA 0.110 4.750 4.640 0.001 0.000 0.232 63 D C 1.312 177.605 176.300 -0.010 0.000 1.192 63 D CA 0.043 54.040 54.000 -0.004 0.000 0.882 63 D CB 1.569 42.368 40.800 -0.003 0.000 1.038 63 D HN 0.094 nan 8.370 nan 0.000 0.499 64 G N 3.639 112.433 108.800 -0.011 0.000 2.469 64 G HA2 -0.307 3.653 3.960 0.001 0.000 0.219 64 G HA3 -0.307 3.653 3.960 0.001 0.000 0.219 64 G C 1.186 176.074 174.900 -0.020 0.000 1.150 64 G CA 0.536 45.626 45.100 -0.016 0.000 0.763 64 G HN 0.500 nan 8.290 nan 0.000 0.561 65 D N 0.970 121.359 120.400 -0.018 0.000 2.117 65 D HA -0.055 4.586 4.640 0.001 0.000 0.197 65 D C 2.846 179.130 176.300 -0.027 0.000 0.987 65 D CA 1.213 55.201 54.000 -0.021 0.000 0.829 65 D CB -0.420 40.370 40.800 -0.017 0.000 0.961 65 D HN 0.329 nan 8.370 nan 0.000 0.460 66 A N 0.971 123.777 122.820 -0.024 0.000 1.902 66 A HA -0.158 4.162 4.320 0.001 0.000 0.217 66 A C 2.186 179.745 177.584 -0.041 0.000 1.181 66 A CA 1.005 53.025 52.037 -0.028 0.000 0.623 66 A CB -0.733 18.257 19.000 -0.016 0.000 0.818 66 A HN 0.218 nan 8.150 nan 0.000 0.443 67 L N 0.037 121.239 121.223 -0.035 0.000 1.994 67 L HA -0.154 4.186 4.340 0.001 0.000 0.208 67 L C 2.527 179.365 176.870 -0.054 0.000 1.071 67 L CA 2.553 57.368 54.840 -0.042 0.000 0.745 67 L CB -0.659 41.381 42.059 -0.031 0.000 0.892 67 L HN 0.508 nan 8.230 nan 0.000 0.431 68 R N -0.636 119.836 120.500 -0.047 0.000 2.091 68 R HA -0.173 4.167 4.340 0.001 0.000 0.238 68 R C 2.377 178.639 176.300 -0.062 0.000 1.136 68 R CA 1.592 57.662 56.100 -0.051 0.000 0.959 68 R CB -0.206 30.069 30.300 -0.041 0.000 0.856 68 R HN 0.388 nan 8.270 nan 0.000 0.437 69 R N -0.044 120.418 120.500 -0.062 0.000 2.083 69 R HA -0.123 4.217 4.340 0.001 0.000 0.237 69 R C 2.382 178.615 176.300 -0.111 0.000 1.137 69 R CA 1.631 57.687 56.100 -0.073 0.000 0.951 69 R CB -0.719 29.544 30.300 -0.062 0.000 0.851 69 R HN 0.159 nan 8.270 nan 0.000 0.434 70 V N 0.817 120.647 119.914 -0.141 0.000 2.358 70 V HA -0.192 3.928 4.120 0.001 0.000 0.246 70 V C 2.280 178.266 176.094 -0.180 0.000 1.047 70 V CA 1.521 63.682 62.300 -0.232 0.000 1.035 70 V CB -0.052 31.610 31.823 -0.267 0.000 0.658 70 V HN 0.116 nan 8.190 nan 0.000 0.452 71 V N 0.134 119.976 119.914 -0.120 0.000 2.255 71 V HA -0.300 3.821 4.120 0.001 0.000 0.247 71 V C 2.435 178.471 176.094 -0.097 0.000 1.051 71 V CA 2.621 64.862 62.300 -0.097 0.000 1.018 71 V CB -0.750 31.026 31.823 -0.078 0.000 0.641 71 V HN 0.650 nan 8.190 nan 0.000 0.445 72 E N -0.354 119.793 120.200 -0.088 0.000 2.153 72 E HA -0.247 4.103 4.350 0.001 0.000 0.194 72 E C 2.088 178.640 176.600 -0.080 0.000 0.988 72 E CA 1.343 57.697 56.400 -0.078 0.000 0.811 72 E CB -0.221 29.442 29.700 -0.063 0.000 0.746 72 E HN 0.452 nan 8.360 nan 0.000 0.466 73 L N 1.138 122.303 121.223 -0.096 0.000 2.093 73 L HA -0.115 4.225 4.340 0.001 0.000 0.208 73 L C 1.744 178.570 176.870 -0.072 0.000 1.085 73 L CA 1.780 56.568 54.840 -0.088 0.000 0.755 73 L CB 0.049 42.033 42.059 -0.125 0.000 0.904 73 L HN -0.070 nan 8.230 nan 0.000 0.435 74 E N 0.162 120.310 120.200 -0.087 0.000 2.415 74 E HA -0.004 4.347 4.350 0.001 0.000 0.197 74 E C 0.066 176.613 176.600 -0.089 0.000 1.007 74 E CA 0.086 56.451 56.400 -0.057 0.000 0.890 74 E CB 0.115 29.797 29.700 -0.031 0.000 0.891 74 E HN 0.450 nan 8.360 nan 0.000 0.496 75 K N 1.370 121.703 120.400 -0.112 0.000 3.730 75 K HA -0.160 4.160 4.320 0.001 0.000 0.276 75 K C -2.506 173.936 176.600 -0.263 0.000 0.904 75 K CA 0.169 56.358 56.287 -0.164 0.000 0.741 75 K CB -1.251 31.158 32.500 -0.151 0.000 1.542 75 K HN 0.184 nan 8.250 nan 0.000 0.446 76 P HA 0.065 nan 4.420 nan 0.000 0.276 76 P C -0.045 177.056 177.300 -0.330 0.000 1.244 76 P CA -0.117 62.850 63.100 -0.221 0.000 0.801 76 P CB 0.557 32.210 31.700 -0.078 0.000 1.006 77 H N -0.910 118.102 119.070 -0.096 0.000 2.562 77 H HA 0.181 4.738 4.556 0.001 0.000 0.267 77 H C -0.208 174.736 175.328 -0.639 0.000 0.959 77 H CA 0.905 56.760 56.048 -0.321 0.000 1.204 77 H CB -0.110 29.468 29.762 -0.307 0.000 1.430 77 H HN 0.383 nan 8.280 nan 0.000 0.545 78 Y N -0.283 120.037 120.300 0.033 0.000 2.470 78 Y HA 0.410 4.960 4.550 -0.000 0.000 0.341 78 Y C -0.968 174.841 175.900 -0.152 0.000 1.021 78 Y CA -1.075 56.962 58.100 -0.105 0.000 1.025 78 Y CB 1.788 40.103 38.460 -0.241 0.000 1.266 78 Y HN -0.153 nan 8.280 nan 0.000 0.448 79 I N 3.807 124.359 120.570 -0.030 0.000 2.382 79 I HA 0.442 4.612 4.170 0.001 0.000 0.285 79 I C -1.036 175.015 176.117 -0.110 0.000 1.007 79 I CA -0.806 60.459 61.300 -0.060 0.000 1.142 79 I CB 1.299 39.268 38.000 -0.053 0.000 1.289 79 I HN 0.289 nan 8.210 nan 0.000 0.453 80 V N 8.437 128.282 119.914 -0.116 0.000 2.304 80 V HA 0.354 4.474 4.120 0.001 0.000 0.278 80 V C -2.310 173.768 176.094 -0.026 0.000 1.018 80 V CA -1.736 60.492 62.300 -0.119 0.000 0.814 80 V CB 1.040 32.747 31.823 -0.193 0.000 1.021 80 V HN 0.502 nan 8.190 nan 0.000 0.440 81 P HA 0.264 nan 4.420 nan 0.000 0.279 81 P C 0.433 177.734 177.300 0.001 0.000 1.239 81 P CA -0.112 62.984 63.100 -0.007 0.000 0.789 81 P CB 1.470 33.163 31.700 -0.013 0.000 0.933 82 E N 2.105 122.301 120.200 -0.007 0.000 2.413 82 E HA 0.087 4.437 4.350 0.001 0.000 0.203 82 E C 0.451 177.033 176.600 -0.031 0.000 0.957 82 E CA 0.240 56.630 56.400 -0.016 0.000 0.950 82 E CB 0.267 29.958 29.700 -0.016 0.000 0.957 82 E HN 0.484 nan 8.360 nan 0.000 0.497 83 I N -3.488 117.068 120.570 -0.022 0.000 3.174 83 I HA 0.370 4.541 4.170 0.001 0.000 0.313 83 I C 0.736 176.844 176.117 -0.015 0.000 1.155 83 I CA -0.902 60.385 61.300 -0.022 0.000 0.977 83 I CB 1.882 39.876 38.000 -0.010 0.000 1.248 83 I HN -0.299 nan 8.210 nan 0.000 0.453 84 E N 1.670 121.862 120.200 -0.013 0.000 2.107 84 E HA 0.038 4.389 4.350 0.001 0.000 0.191 84 E C 1.174 177.773 176.600 -0.002 0.000 0.982 84 E CA 0.825 57.222 56.400 -0.006 0.000 0.809 84 E CB 0.129 29.826 29.700 -0.005 0.000 0.756 84 E HN 0.755 nan 8.360 nan 0.000 0.459 85 A N 1.554 124.374 122.820 -0.001 0.000 3.076 85 A HA 0.213 4.534 4.320 0.001 0.000 0.269 85 A C -0.181 177.405 177.584 0.003 0.000 1.916 85 A CA 0.523 52.561 52.037 0.002 0.000 1.492 85 A CB -0.805 18.199 19.000 0.006 0.000 1.000 85 A HN 0.129 nan 8.150 nan 0.000 0.615 86 I N -0.376 120.194 120.570 0.000 0.000 2.994 86 I HA 0.432 4.602 4.170 0.001 0.000 0.306 86 I C 0.547 176.662 176.117 -0.003 0.000 1.195 86 I CA -0.783 60.516 61.300 -0.002 0.000 1.001 86 I CB 2.177 40.174 38.000 -0.005 0.000 1.244 86 I HN 0.268 nan 8.210 nan 0.000 0.437 87 A N 2.344 125.161 122.820 -0.005 0.000 2.899 87 A HA 0.133 4.454 4.320 0.001 0.000 0.287 87 A C 1.340 178.918 177.584 -0.009 0.000 1.715 87 A CA 0.406 52.439 52.037 -0.007 0.000 1.393 87 A CB -0.586 18.409 19.000 -0.009 0.000 1.070 87 A HN 0.868 nan 8.150 nan 0.000 0.587 88 T N 0.830 115.380 114.554 -0.006 0.000 2.849 88 T HA -0.154 4.196 4.350 0.001 0.000 0.270 88 T C 1.387 176.082 174.700 -0.008 0.000 1.066 88 T CA 2.198 64.295 62.100 -0.006 0.000 1.130 88 T CB -0.419 68.448 68.868 -0.002 0.000 0.864 88 T HN 0.637 nan 8.240 nan 0.000 0.481 89 D N 0.552 120.947 120.400 -0.008 0.000 2.117 89 D HA -0.063 4.578 4.640 0.001 0.000 0.197 89 D C 1.898 178.190 176.300 -0.013 0.000 0.987 89 D CA 0.943 54.937 54.000 -0.010 0.000 0.829 89 D CB -0.361 40.434 40.800 -0.009 0.000 0.961 89 D HN 0.348 nan 8.370 nan 0.000 0.460 90 M N 0.220 119.811 119.600 -0.015 0.000 2.296 90 M HA -0.006 4.475 4.480 0.001 0.000 0.265 90 M C 1.784 178.071 176.300 -0.022 0.000 1.064 90 M CA 0.948 56.236 55.300 -0.019 0.000 1.109 90 M CB -0.409 32.179 32.600 -0.020 0.000 1.396 90 M HN -0.032 nan 8.290 nan 0.000 0.430 91 L N -1.215 119.997 121.223 -0.019 0.000 2.056 91 L HA -0.204 4.136 4.340 0.001 0.000 0.207 91 L C 2.259 179.116 176.870 -0.021 0.000 1.078 91 L CA 1.020 55.847 54.840 -0.022 0.000 0.749 91 L CB -0.728 41.321 42.059 -0.018 0.000 0.901 91 L HN 0.231 nan 8.230 nan 0.000 0.433 92 I N -0.656 119.904 120.570 -0.016 0.000 2.179 92 I HA -0.293 3.877 4.170 0.001 0.000 0.242 92 I C 2.772 178.877 176.117 -0.019 0.000 1.088 92 I CA 1.171 62.462 61.300 -0.016 0.000 1.357 92 I CB -0.269 37.723 38.000 -0.012 0.000 1.051 92 I HN 0.262 nan 8.210 nan 0.000 0.409 93 Q N 0.455 120.243 119.800 -0.020 0.000 2.030 93 Q HA -0.161 4.179 4.340 0.001 0.000 0.204 93 Q C 2.324 178.307 176.000 -0.027 0.000 0.986 93 Q CA 1.862 57.652 55.803 -0.022 0.000 0.843 93 Q CB -0.616 28.109 28.738 -0.022 0.000 0.904 93 Q HN 0.478 nan 8.270 nan 0.000 0.420 94 L N 0.384 121.589 121.223 -0.031 0.000 2.079 94 L HA -0.197 4.144 4.340 0.001 0.000 0.210 94 L C 2.458 179.304 176.870 -0.040 0.000 1.081 94 L CA 1.497 56.314 54.840 -0.038 0.000 0.752 94 L CB -0.402 41.631 42.059 -0.043 0.000 0.896 94 L HN 0.333 nan 8.230 nan 0.000 0.433 95 E N 0.257 120.436 120.200 -0.035 0.000 2.106 95 E HA -0.255 4.096 4.350 0.001 0.000 0.192 95 E C 2.042 178.622 176.600 -0.033 0.000 0.984 95 E CA 1.093 57.471 56.400 -0.036 0.000 0.806 95 E CB 0.090 29.773 29.700 -0.029 0.000 0.750 95 E HN 0.462 nan 8.360 nan 0.000 0.458 96 E N 0.088 120.271 120.200 -0.028 0.000 2.153 96 E HA -0.174 4.177 4.350 0.001 0.000 0.194 96 E C 1.183 177.766 176.600 -0.028 0.000 0.988 96 E CA 1.045 57.429 56.400 -0.025 0.000 0.811 96 E CB 0.138 29.825 29.700 -0.022 0.000 0.746 96 E HN 0.339 nan 8.360 nan 0.000 0.466 97 E N -1.213 118.968 120.200 -0.031 0.000 2.476 97 E HA 0.092 4.442 4.350 0.001 0.000 0.191 97 E C 0.826 177.403 176.600 -0.038 0.000 1.064 97 E CA 0.326 56.706 56.400 -0.033 0.000 0.866 97 E CB 0.767 30.446 29.700 -0.035 0.000 0.952 97 E HN 0.343 nan 8.360 nan 0.000 0.492 98 G N 0.887 109.662 108.800 -0.041 0.000 2.184 98 G HA2 -0.224 3.737 3.960 0.001 0.000 0.206 98 G HA3 -0.224 3.737 3.960 0.001 0.000 0.206 98 G C 0.045 174.908 174.900 -0.062 0.000 0.995 98 G CA -0.522 44.550 45.100 -0.047 0.000 0.651 98 G HN 0.091 nan 8.290 nan 0.000 0.511 99 L N 0.968 122.152 121.223 -0.065 0.000 2.395 99 L HA 0.402 4.742 4.340 0.001 0.000 0.269 99 L C 0.830 177.650 176.870 -0.084 0.000 1.133 99 L CA -0.389 54.401 54.840 -0.083 0.000 0.812 99 L CB 1.029 43.040 42.059 -0.079 0.000 1.125 99 L HN 0.309 nan 8.230 nan 0.000 0.452 100 N N 1.156 119.786 118.700 -0.117 0.000 2.437 100 N HA 0.335 5.075 4.740 0.001 0.000 0.243 100 N C -1.337 174.138 175.510 -0.058 0.000 1.041 100 N CA -0.481 52.509 53.050 -0.100 0.000 0.940 100 N CB 0.781 39.151 38.487 -0.194 0.000 1.133 100 N HN 0.272 nan 8.380 nan 0.000 0.506 101 V N 4.139 124.031 119.914 -0.036 0.000 2.394 101 V HA 0.234 4.354 4.120 0.001 0.000 0.282 101 V C 0.141 176.219 176.094 -0.025 0.000 1.031 101 V CA -0.734 61.545 62.300 -0.036 0.000 0.881 101 V CB 1.517 33.323 31.823 -0.029 0.000 0.982 101 V HN 0.345 nan 8.190 nan 0.000 0.451 102 V N 8.664 128.538 119.914 -0.067 0.000 2.432 102 V HA 0.243 4.364 4.120 0.001 0.000 0.275 102 V C -1.149 174.929 176.094 -0.026 0.000 1.043 102 V CA -0.959 61.295 62.300 -0.076 0.000 0.925 102 V CB 1.561 33.204 31.823 -0.299 0.000 0.985 102 V HN 0.794 nan 8.190 nan 0.000 0.466 103 P HA 0.048 nan 4.420 nan 0.000 0.221 103 P C 0.244 177.584 177.300 0.067 0.000 1.155 103 P CA 0.685 63.824 63.100 0.065 0.000 0.812 103 P CB 0.248 32.026 31.700 0.129 0.000 0.801 104 C N -4.440 114.892 119.300 0.053 0.000 3.302 104 C HA 0.788 5.249 4.460 0.001 0.000 0.347 104 C C 1.665 176.670 174.990 0.025 0.000 1.218 104 C CA -0.283 58.754 59.018 0.031 0.000 1.234 104 C CB 0.751 28.508 27.740 0.028 0.000 1.551 104 C HN 0.176 nan 8.230 nan 0.000 0.501 105 A N 1.181 124.006 122.820 0.008 0.000 1.933 105 A HA -0.085 4.235 4.320 0.001 0.000 0.218 105 A C 2.355 179.947 177.584 0.015 0.000 1.175 105 A CA 1.945 53.985 52.037 0.005 0.000 0.628 105 A CB -0.668 18.328 19.000 -0.007 0.000 0.814 105 A HN 1.048 nan 8.150 nan 0.000 0.444 106 R N -0.119 120.392 120.500 0.018 0.000 2.091 106 R HA -0.139 4.201 4.340 0.001 0.000 0.238 106 R C 2.226 178.551 176.300 0.042 0.000 1.136 106 R CA 1.653 57.766 56.100 0.022 0.000 0.959 106 R CB -0.507 29.803 30.300 0.018 0.000 0.856 106 R HN 0.396 nan 8.270 nan 0.000 0.437 107 A N 0.468 123.329 122.820 0.069 0.000 1.908 107 A HA -0.217 4.104 4.320 0.001 0.000 0.218 107 A C 2.299 179.936 177.584 0.088 0.000 1.181 107 A CA 2.312 54.418 52.037 0.115 0.000 0.627 107 A CB -1.145 17.972 19.000 0.194 0.000 0.818 107 A HN 0.724 nan 8.150 nan 0.000 0.445 108 T N -1.769 112.817 114.554 0.052 0.000 2.812 108 T HA -0.151 4.200 4.350 0.001 0.000 0.264 108 T C 1.884 176.601 174.700 0.029 0.000 1.042 108 T CA 1.702 63.821 62.100 0.032 0.000 1.140 108 T CB -0.275 68.600 68.868 0.012 0.000 0.870 108 T HN 0.476 nan 8.240 nan 0.000 0.445 109 K N 1.135 121.549 120.400 0.024 0.000 2.032 109 K HA 0.051 4.372 4.320 0.001 0.000 0.209 109 K C 2.358 178.971 176.600 0.022 0.000 1.048 109 K CA 1.304 57.601 56.287 0.017 0.000 0.927 109 K CB -0.708 31.798 32.500 0.010 0.000 0.712 109 K HN 0.406 nan 8.250 nan 0.000 0.441 110 L N 0.613 121.855 121.223 0.031 0.000 2.079 110 L HA -0.173 4.168 4.340 0.001 0.000 0.210 110 L C 2.447 179.347 176.870 0.051 0.000 1.081 110 L CA 1.913 56.774 54.840 0.034 0.000 0.752 110 L CB -0.770 41.313 42.059 0.040 0.000 0.896 110 L HN 0.541 nan 8.230 nan 0.000 0.433 111 T N -3.241 111.352 114.554 0.065 0.000 3.081 111 T HA -0.041 4.310 4.350 0.001 0.000 0.255 111 T C 1.475 176.207 174.700 0.053 0.000 1.113 111 T CA 0.535 62.681 62.100 0.077 0.000 1.082 111 T CB -0.115 68.814 68.868 0.102 0.000 0.939 111 T HN 0.342 nan 8.240 nan 0.000 0.506 112 M N 0.156 119.778 119.600 0.037 0.000 2.556 112 M HA 0.381 4.862 4.480 0.001 0.000 0.245 112 M C 0.344 176.660 176.300 0.027 0.000 1.128 112 M CA 0.322 55.637 55.300 0.025 0.000 1.069 112 M CB -0.146 32.463 32.600 0.015 0.000 1.469 112 M HN 0.028 nan 8.290 nan 0.000 0.494 113 N N 1.065 119.784 118.700 0.033 0.000 2.461 113 N HA 0.306 5.047 4.740 0.001 0.000 0.284 113 N C -0.067 175.477 175.510 0.055 0.000 1.049 113 N CA -0.215 52.855 53.050 0.035 0.000 0.889 113 N CB 1.190 39.682 38.487 0.008 0.000 1.365 113 N HN 0.275 nan 8.380 nan 0.000 0.499 114 R N 1.891 122.454 120.500 0.105 0.000 2.139 114 R HA -0.140 4.200 4.340 0.001 0.000 0.243 114 R C 1.048 177.466 176.300 0.196 0.000 1.145 114 R CA 1.295 57.501 56.100 0.176 0.000 0.976 114 R CB 0.184 30.626 30.300 0.236 0.000 0.866 114 R HN 0.649 nan 8.270 nan 0.000 0.449 115 E N -0.033 120.180 120.200 0.020 0.000 2.150 115 E HA -0.117 4.233 4.350 0.001 0.000 0.193 115 E C 2.062 178.542 176.600 -0.200 0.000 0.985 115 E CA 0.984 57.123 56.400 -0.435 0.000 0.814 115 E CB -0.044 29.261 29.700 -0.659 0.000 0.752 115 E HN 0.519 nan 8.360 nan 0.000 0.466 116 G N 1.135 109.890 108.800 -0.076 0.000 2.454 116 G HA2 -0.232 3.729 3.960 0.001 0.000 0.214 116 G HA3 -0.232 3.729 3.960 0.001 0.000 0.214 116 G C 1.526 176.428 174.900 0.004 0.000 1.217 116 G CA 0.500 45.578 45.100 -0.036 0.000 0.799 116 G HN 0.221 nan 8.290 nan 0.000 0.538 117 I N 0.600 121.197 120.570 0.046 0.000 2.226 117 I HA -0.036 4.135 4.170 0.001 0.000 0.245 117 I C 2.603 178.774 176.117 0.090 0.000 1.100 117 I CA 1.459 62.808 61.300 0.082 0.000 1.374 117 I CB -0.187 37.902 38.000 0.147 0.000 1.057 117 I HN 0.115 nan 8.210 nan 0.000 0.413 118 R N 0.902 121.461 120.500 0.097 0.000 2.073 118 R HA -0.100 4.240 4.340 0.001 0.000 0.234 118 R C 2.399 178.700 176.300 0.002 0.000 1.134 118 R CA 1.785 57.909 56.100 0.040 0.000 0.952 118 R CB -0.523 29.772 30.300 -0.008 0.000 0.850 118 R HN 0.337 nan 8.270 nan 0.000 0.433 119 R N -0.226 120.298 120.500 0.040 0.000 2.075 119 R HA -0.098 4.242 4.340 0.001 0.000 0.232 119 R C 2.218 178.536 176.300 0.029 0.000 1.126 119 R CA 1.417 57.558 56.100 0.068 0.000 0.963 119 R CB -0.684 29.636 30.300 0.034 0.000 0.858 119 R HN 0.193 nan 8.270 nan 0.000 0.435 120 L N 0.875 122.096 121.223 -0.003 0.000 1.990 120 L HA -0.187 4.154 4.340 0.001 0.000 0.213 120 L C 2.226 179.054 176.870 -0.070 0.000 1.072 120 L CA 2.248 57.069 54.840 -0.032 0.000 0.755 120 L CB -0.739 41.296 42.059 -0.040 0.000 0.889 120 L HN 0.146 nan 8.230 nan 0.000 0.432 121 A N -0.601 122.154 122.820 -0.107 0.000 1.855 121 A HA -0.035 4.285 4.320 0.001 0.000 0.215 121 A C 2.418 179.945 177.584 -0.096 0.000 1.191 121 A CA 2.063 53.970 52.037 -0.215 0.000 0.613 121 A CB -1.296 17.472 19.000 -0.387 0.000 0.829 121 A HN 0.622 nan 8.150 nan 0.000 0.442 122 A N -0.396 122.426 122.820 0.003 0.000 1.872 122 A HA -0.064 4.256 4.320 0.001 0.000 0.214 122 A C 1.951 179.591 177.584 0.093 0.000 1.187 122 A CA 1.581 53.672 52.037 0.090 0.000 0.614 122 A CB -0.427 18.693 19.000 0.199 0.000 0.826 122 A HN 0.625 nan 8.150 nan 0.000 0.442 123 E N -0.634 119.622 120.200 0.093 0.000 2.021 123 E HA -0.077 4.273 4.350 0.001 0.000 0.191 123 E C 2.083 178.700 176.600 0.028 0.000 0.971 123 E CA 0.785 57.230 56.400 0.075 0.000 0.825 123 E CB -0.256 29.499 29.700 0.092 0.000 0.788 123 E HN 0.630 nan 8.360 nan 0.000 0.460 124 E N 0.859 121.065 120.200 0.010 0.000 2.033 124 E HA -0.200 4.151 4.350 0.001 0.000 0.199 124 E C 2.068 178.652 176.600 -0.027 0.000 1.011 124 E CA 1.254 57.648 56.400 -0.012 0.000 0.815 124 E CB -0.037 29.649 29.700 -0.024 0.000 0.755 124 E HN 0.147 nan 8.360 nan 0.000 0.451 125 L N -0.225 120.969 121.223 -0.049 0.000 2.395 125 L HA -0.025 4.315 4.340 0.001 0.000 0.218 125 L C 0.461 177.301 176.870 -0.050 0.000 1.130 125 L CA 0.129 54.926 54.840 -0.071 0.000 0.826 125 L CB 0.053 42.035 42.059 -0.129 0.000 0.941 125 L HN 0.141 nan 8.230 nan 0.000 0.451 126 Q N 0.028 119.814 119.800 -0.023 0.000 2.502 126 Q HA -0.151 4.189 4.340 0.001 0.000 0.273 126 Q C -0.441 175.556 176.000 -0.004 0.000 1.127 126 Q CA 0.854 56.656 55.803 -0.001 0.000 0.952 126 Q CB -2.140 26.596 28.738 -0.003 0.000 1.333 126 Q HN 0.455 nan 8.270 nan 0.000 0.494 127 L N 0.877 122.088 121.223 -0.020 0.000 2.399 127 L HA 0.489 4.830 4.340 0.001 0.000 0.265 127 L C -1.699 175.205 176.870 0.056 0.000 1.089 127 L CA -2.027 52.805 54.840 -0.013 0.000 0.802 127 L CB 0.464 42.462 42.059 -0.102 0.000 1.180 127 L HN -0.173 nan 8.230 nan 0.000 0.454 128 P HA 0.177 nan 4.420 nan 0.000 0.276 128 P C -0.726 176.682 177.300 0.179 0.000 1.253 128 P CA -0.182 62.988 63.100 0.117 0.000 0.766 128 P CB 0.872 32.630 31.700 0.096 0.000 0.845 129 T N -0.885 113.784 114.554 0.192 0.000 2.841 129 T HA 0.575 4.925 4.350 0.001 0.000 0.296 129 T C 0.121 174.951 174.700 0.217 0.000 1.166 129 T CA -0.722 61.510 62.100 0.220 0.000 1.007 129 T CB 0.834 69.829 68.868 0.213 0.000 1.253 129 T HN 0.287 nan 8.240 nan 0.000 0.511 130 S N 1.021 116.853 115.700 0.221 0.000 2.598 130 S HA 0.441 4.911 4.470 0.001 0.000 0.256 130 S C 0.750 175.497 174.600 0.245 0.000 1.350 130 S CA -0.087 58.230 58.200 0.196 0.000 0.984 130 S CB -0.443 62.862 63.200 0.175 0.000 0.930 130 S HN 1.322 nan 8.310 nan 0.000 0.577 131 T N -0.942 113.710 114.554 0.164 0.000 2.828 131 T HA 0.564 4.914 4.350 0.001 0.000 0.290 131 T C -0.414 174.414 174.700 0.213 0.000 1.019 131 T CA -0.413 61.770 62.100 0.137 0.000 1.031 131 T CB -0.020 68.844 68.868 -0.006 0.000 1.001 131 T HN 1.151 nan 8.240 nan 0.000 0.531 132 Y N -2.293 117.964 120.300 -0.072 0.000 2.741 132 Y HA 0.808 5.357 4.550 -0.001 0.000 0.339 132 Y C -1.015 174.769 175.900 -0.195 0.000 1.226 132 Y CA -1.736 56.268 58.100 -0.160 0.000 1.072 132 Y CB 1.221 39.568 38.460 -0.189 0.000 1.331 132 Y HN 0.838 nan 8.280 nan 0.000 0.453 133 R N 0.680 121.052 120.500 -0.214 0.000 2.594 133 R HA 0.617 4.957 4.340 0.001 0.000 0.265 133 R C -2.300 173.818 176.300 -0.304 0.000 1.070 133 R CA -0.567 55.396 56.100 -0.229 0.000 0.909 133 R CB 1.652 31.850 30.300 -0.170 0.000 1.243 133 R HN 0.625 nan 8.270 nan 0.000 0.455 134 F N 1.343 121.373 119.950 0.134 0.000 2.432 134 F HA 0.856 5.382 4.527 -0.002 0.000 0.329 134 F C 0.419 176.294 175.800 0.123 0.000 1.076 134 F CA -0.407 57.680 58.000 0.146 0.000 1.018 134 F CB 2.149 41.236 39.000 0.145 0.000 1.201 134 F HN 0.551 nan 8.300 nan 0.000 0.489 135 A N 0.956 123.982 122.820 0.343 0.000 2.589 135 A HA 0.540 4.861 4.320 0.001 0.000 0.296 135 A C -1.061 176.707 177.584 0.306 0.000 1.062 135 A CA -0.768 51.430 52.037 0.269 0.000 0.686 135 A CB 1.140 20.287 19.000 0.246 0.000 1.282 135 A HN 0.714 nan 8.150 nan 0.000 0.404 136 D N -0.113 120.424 120.400 0.228 0.000 2.433 136 D HA 0.254 4.894 4.640 0.001 0.000 0.211 136 D C 0.387 176.819 176.300 0.219 0.000 1.114 136 D CA 0.750 54.892 54.000 0.238 0.000 0.837 136 D CB 0.328 41.223 40.800 0.159 0.000 0.984 136 D HN 0.655 nan 8.370 nan 0.000 0.505 137 S N -1.256 114.481 115.700 0.062 0.000 2.556 137 S HA 0.316 4.786 4.470 0.001 0.000 0.271 137 S C 0.624 174.899 174.600 -0.542 0.000 1.135 137 S CA -0.875 57.200 58.200 -0.209 0.000 0.858 137 S CB 2.474 65.606 63.200 -0.114 0.000 1.114 137 S HN -0.073 nan 8.310 nan 0.000 0.468 138 E N 1.818 121.369 120.200 -1.082 0.000 2.147 138 E HA -0.201 4.150 4.350 0.001 0.000 0.199 138 E C 1.498 177.903 176.600 -0.324 0.000 1.005 138 E CA 2.169 57.970 56.400 -0.998 0.000 0.810 138 E CB -0.307 28.820 29.700 -0.955 0.000 0.736 138 E HN 0.703 nan 8.360 nan 0.000 0.460 139 S N 0.631 116.177 115.700 -0.256 0.000 2.354 139 S HA -0.196 4.274 4.470 0.001 0.000 0.219 139 S C 1.990 176.541 174.600 -0.081 0.000 1.035 139 S CA 1.481 59.606 58.200 -0.125 0.000 1.037 139 S CB -0.508 62.635 63.200 -0.095 0.000 0.956 139 S HN 0.235 nan 8.310 nan 0.000 0.428 140 L N 0.320 121.502 121.223 -0.068 0.000 2.079 140 L HA -0.086 4.254 4.340 0.001 0.000 0.210 140 L C 2.276 179.148 176.870 0.004 0.000 1.081 140 L CA 1.380 56.210 54.840 -0.018 0.000 0.752 140 L CB -0.702 41.369 42.059 0.019 0.000 0.896 140 L HN 0.196 nan 8.230 nan 0.000 0.433 141 F N 0.826 120.702 119.950 -0.124 0.000 2.026 141 F HA -0.268 4.261 4.527 0.003 0.000 0.296 141 F C 2.818 178.582 175.800 -0.060 0.000 1.133 141 F CA 1.709 59.680 58.000 -0.048 0.000 1.188 141 F CB -0.310 38.667 39.000 -0.040 0.000 0.968 141 F HN -0.192 nan 8.300 nan 0.000 0.476 142 R N 0.402 120.932 120.500 0.050 0.000 2.119 142 R HA -0.207 4.133 4.340 0.001 0.000 0.246 142 R C 2.425 178.635 176.300 -0.151 0.000 1.146 142 R CA 1.947 58.025 56.100 -0.036 0.000 0.962 142 R CB -0.453 29.861 30.300 0.023 0.000 0.863 142 R HN 0.370 nan 8.270 nan 0.000 0.442 143 E N -0.334 119.794 120.200 -0.120 0.000 2.017 143 E HA -0.199 4.151 4.350 0.001 0.000 0.193 143 E C 1.921 178.416 176.600 -0.175 0.000 0.997 143 E CA 1.439 57.769 56.400 -0.117 0.000 0.804 143 E CB -0.258 29.396 29.700 -0.078 0.000 0.757 143 E HN 0.429 nan 8.360 nan 0.000 0.448 144 A N 0.916 123.606 122.820 -0.215 0.000 1.883 144 A HA -0.174 4.146 4.320 0.001 0.000 0.217 144 A C 2.559 179.931 177.584 -0.352 0.000 1.186 144 A CA 1.738 53.622 52.037 -0.254 0.000 0.624 144 A CB -0.895 17.969 19.000 -0.226 0.000 0.822 144 A HN 0.176 nan 8.150 nan 0.000 0.444 145 V N -0.241 119.351 119.914 -0.537 0.000 2.568 145 V HA -0.263 3.858 4.120 0.001 0.000 0.253 145 V C 2.904 178.727 176.094 -0.451 0.000 1.072 145 V CA 1.828 63.780 62.300 -0.579 0.000 1.084 145 V CB -1.024 30.351 31.823 -0.746 0.000 0.676 145 V HN 0.643 nan 8.190 nan 0.000 0.469 146 A N -0.821 121.810 122.820 -0.315 0.000 2.014 146 A HA -0.178 4.142 4.320 0.001 0.000 0.218 146 A C 2.010 179.488 177.584 -0.177 0.000 1.163 146 A CA 1.688 53.602 52.037 -0.204 0.000 0.652 146 A CB -0.361 18.562 19.000 -0.129 0.000 0.808 146 A HN 0.508 nan 8.150 nan 0.000 0.449 147 D N -0.617 119.668 120.400 -0.190 0.000 2.213 147 D HA -0.009 4.632 4.640 0.001 0.000 0.205 147 D C 1.799 177.998 176.300 -0.168 0.000 0.961 147 D CA 0.512 54.419 54.000 -0.155 0.000 0.853 147 D CB 0.032 40.748 40.800 -0.140 0.000 0.967 147 D HN 0.257 nan 8.370 nan 0.000 0.496 148 I N 0.107 120.545 120.570 -0.220 0.000 2.193 148 I HA 0.128 4.298 4.170 0.001 0.000 0.240 148 I C 1.628 177.620 176.117 -0.209 0.000 1.084 148 I CA 1.307 62.480 61.300 -0.211 0.000 1.365 148 I CB -1.221 36.634 38.000 -0.242 0.000 1.064 148 I HN 0.109 nan 8.210 nan 0.000 0.410 149 G N -0.741 107.877 108.800 -0.303 0.000 2.549 149 G HA2 -0.185 3.776 3.960 0.001 0.000 0.404 149 G HA3 -0.185 3.776 3.960 0.001 0.000 0.404 149 G C -1.071 173.593 174.900 -0.393 0.000 1.292 149 G CA -0.701 44.232 45.100 -0.279 0.000 0.935 149 G HN 0.118 nan 8.290 nan 0.000 0.512 150 Y N 0.986 121.238 120.300 -0.080 0.000 2.420 150 Y HA 0.658 5.209 4.550 0.001 0.000 0.334 150 Y C -1.025 174.835 175.900 -0.068 0.000 1.094 150 Y CA -1.214 56.836 58.100 -0.084 0.000 1.126 150 Y CB 1.314 39.747 38.460 -0.044 0.000 1.217 150 Y HN 0.635 nan 8.280 nan 0.000 0.462 151 P HA 0.586 nan 4.420 nan 0.000 0.284 151 P C -1.090 176.017 177.300 -0.323 0.000 1.292 151 P CA -0.591 62.497 63.100 -0.020 0.000 0.800 151 P CB 1.071 32.755 31.700 -0.027 0.000 1.188 152 C N -2.283 116.700 119.300 -0.528 0.000 3.311 152 C HA 0.780 5.241 4.460 0.001 0.000 0.325 152 C C -1.201 173.510 174.990 -0.464 0.000 1.352 152 C CA -0.839 57.899 59.018 -0.467 0.000 1.308 152 C CB 0.044 27.570 27.740 -0.357 0.000 1.619 152 C HN 0.416 nan 8.230 nan 0.000 0.469 153 I N 1.420 121.832 120.570 -0.264 0.000 2.441 153 I HA 0.680 4.850 4.170 0.001 0.000 0.295 153 I C -0.159 175.960 176.117 0.004 0.000 0.994 153 I CA -0.495 60.746 61.300 -0.100 0.000 1.144 153 I CB 1.791 39.790 38.000 -0.001 0.000 1.314 153 I HN 0.707 nan 8.210 nan 0.000 0.445 154 V N 6.850 126.820 119.914 0.094 0.000 2.448 154 V HA 0.613 4.734 4.120 0.001 0.000 0.295 154 V C -0.851 175.300 176.094 0.095 0.000 1.025 154 V CA -0.396 62.007 62.300 0.171 0.000 0.859 154 V CB 1.471 33.547 31.823 0.422 0.000 0.988 154 V HN 0.778 nan 8.190 nan 0.000 0.431 155 K N 7.161 127.603 120.400 0.071 0.000 2.426 155 K HA 0.644 4.964 4.320 0.001 0.000 0.251 155 K C -2.938 173.665 176.600 0.005 0.000 0.941 155 K CA -1.998 54.297 56.287 0.013 0.000 0.808 155 K CB 2.046 34.561 32.500 0.024 0.000 1.265 155 K HN 0.296 nan 8.250 nan 0.000 0.432 156 P HA -0.087 nan 4.420 nan 0.000 0.271 156 P C 0.903 178.223 177.300 0.033 0.000 1.244 156 P CA -0.470 62.600 63.100 -0.051 0.000 0.793 156 P CB 0.425 32.061 31.700 -0.106 0.000 0.984 157 V N -2.925 117.031 119.914 0.070 0.000 3.406 157 V HA 0.184 4.304 4.120 0.001 0.000 0.263 157 V C 0.894 177.030 176.094 0.070 0.000 1.172 157 V CA 1.213 63.590 62.300 0.127 0.000 1.140 157 V CB -0.944 30.996 31.823 0.194 0.000 0.784 157 V HN 0.297 nan 8.190 nan 0.000 0.467 158 M N 2.435 122.050 119.600 0.026 0.000 2.746 158 M HA 0.475 4.956 4.480 0.001 0.000 0.209 158 M C -0.494 175.796 176.300 -0.016 0.000 1.077 158 M CA 0.077 55.381 55.300 0.007 0.000 0.695 158 M CB 1.326 33.927 32.600 0.002 0.000 1.416 158 M HN 0.469 nan 8.290 nan 0.000 0.459 159 S N -0.022 115.670 115.700 -0.013 0.000 2.570 159 S HA 0.913 5.383 4.470 0.001 0.000 0.286 159 S C -0.356 174.235 174.600 -0.016 0.000 1.099 159 S CA -0.720 57.460 58.200 -0.033 0.000 0.913 159 S CB 2.479 65.647 63.200 -0.054 0.000 1.085 159 S HN 0.506 nan 8.310 nan 0.000 0.480 160 S N 0.038 115.726 115.700 -0.020 0.000 2.656 160 S HA 0.713 5.184 4.470 0.001 0.000 0.273 160 S C 0.241 174.838 174.600 -0.005 0.000 1.168 160 S CA 0.175 58.368 58.200 -0.012 0.000 0.817 160 S CB 0.810 64.000 63.200 -0.017 0.000 1.146 160 S HN 2.122 nan 8.310 nan 0.000 0.475 161 S N -0.021 115.679 115.700 -0.000 0.000 3.350 161 S HA -0.159 4.311 4.470 0.001 0.000 0.341 161 S C 1.547 176.170 174.600 0.038 0.000 1.176 161 S CA 2.251 60.462 58.200 0.017 0.000 0.972 161 S CB -1.869 61.340 63.200 0.015 0.000 0.953 161 S HN 2.769 nan 8.310 nan 0.000 0.565 162 G N -0.393 108.429 108.800 0.036 0.000 2.234 162 G HA2 -0.337 3.623 3.960 0.001 0.000 0.260 162 G HA3 -0.337 3.623 3.960 0.001 0.000 0.260 162 G C -0.033 174.873 174.900 0.009 0.000 0.987 162 G CA 0.612 45.742 45.100 0.050 0.000 0.625 162 G HN 0.858 nan 8.290 nan 0.000 0.532 163 K N 0.527 120.920 120.400 -0.011 0.000 2.477 163 K HA 0.325 4.645 4.320 0.001 0.000 0.275 163 K C 1.498 177.940 176.600 -0.262 0.000 1.054 163 K CA 1.178 57.424 56.287 -0.068 0.000 1.135 163 K CB -0.109 32.369 32.500 -0.037 0.000 0.854 163 K HN 1.527 nan 8.250 nan 0.000 0.484 164 G N 1.882 110.282 108.800 -0.666 0.000 2.153 164 G HA2 -0.334 3.626 3.960 0.001 0.000 0.252 164 G HA3 -0.334 3.626 3.960 0.001 0.000 0.252 164 G C -0.014 174.390 174.900 -0.826 0.000 0.994 164 G CA 0.300 44.660 45.100 -1.234 0.000 0.698 164 G HN 0.616 nan 8.290 nan 0.000 0.521 165 Q N -0.383 119.166 119.800 -0.417 0.000 2.204 165 Q HA 0.752 5.092 4.340 0.001 0.000 0.254 165 Q C -0.524 175.563 176.000 0.146 0.000 0.981 165 Q CA -0.226 55.535 55.803 -0.070 0.000 0.897 165 Q CB 1.335 30.094 28.738 0.036 0.000 1.273 165 Q HN 0.212 nan 8.270 nan 0.000 0.464 166 T N 1.901 116.567 114.554 0.185 0.000 3.105 166 T HA 0.279 4.630 4.350 0.001 0.000 0.321 166 T C -1.672 173.180 174.700 0.254 0.000 1.135 166 T CA -0.499 61.760 62.100 0.264 0.000 1.053 166 T CB 0.468 69.502 68.868 0.277 0.000 1.133 166 T HN 0.479 nan 8.240 nan 0.000 0.463 167 F N 4.041 124.078 119.950 0.146 0.000 2.411 167 F HA 0.652 5.179 4.527 0.000 0.000 0.355 167 F C -0.567 175.322 175.800 0.149 0.000 1.117 167 F CA -0.795 57.281 58.000 0.127 0.000 1.139 167 F CB 0.295 39.355 39.000 0.101 0.000 1.120 167 F HN 0.433 nan 8.300 nan 0.000 0.493 168 I N 7.732 128.294 120.570 -0.014 0.000 2.354 168 I HA 0.354 4.525 4.170 0.001 0.000 0.286 168 I C 0.361 176.636 176.117 0.263 0.000 1.007 168 I CA -0.332 61.071 61.300 0.173 0.000 1.167 168 I CB 1.622 39.742 38.000 0.198 0.000 1.320 168 I HN 0.653 nan 8.210 nan 0.000 0.458 169 R N 3.024 123.723 120.500 0.332 0.000 2.254 169 R HA 0.215 4.556 4.340 0.001 0.000 0.193 169 R C 0.332 176.518 176.300 -0.190 0.000 0.929 169 R CA 0.072 56.321 56.100 0.247 0.000 1.038 169 R CB 0.292 30.723 30.300 0.219 0.000 1.009 169 R HN 0.651 nan 8.270 nan 0.000 0.512 170 S N -0.916 114.730 115.700 -0.090 0.000 2.549 170 S HA 0.600 5.070 4.470 0.001 0.000 0.280 170 S C 0.654 175.251 174.600 -0.004 0.000 1.109 170 S CA -0.480 57.528 58.200 -0.321 0.000 0.905 170 S CB 2.199 65.287 63.200 -0.187 0.000 1.081 170 S HN 0.047 nan 8.310 nan 0.000 0.477 171 A N 1.573 124.357 122.820 -0.061 0.000 1.986 171 A HA -0.104 4.216 4.320 0.001 0.000 0.220 171 A C 1.756 179.415 177.584 0.124 0.000 1.171 171 A CA 2.133 54.256 52.037 0.143 0.000 0.640 171 A CB -1.171 17.890 19.000 0.102 0.000 0.811 171 A HN 0.941 nan 8.150 nan 0.000 0.451 172 E N -0.145 120.096 120.200 0.068 0.000 2.118 172 E HA -0.240 4.110 4.350 0.001 0.000 0.195 172 E C 2.129 178.792 176.600 0.105 0.000 0.992 172 E CA 1.661 58.104 56.400 0.071 0.000 0.804 172 E CB -0.311 29.413 29.700 0.040 0.000 0.741 172 E HN 0.781 nan 8.360 nan 0.000 0.458 173 Q N -0.038 119.843 119.800 0.134 0.000 2.077 173 Q HA -0.197 4.143 4.340 0.001 0.000 0.206 173 Q C 1.933 178.048 176.000 0.191 0.000 0.989 173 Q CA 1.296 57.196 55.803 0.162 0.000 0.853 173 Q CB -0.271 28.585 28.738 0.197 0.000 0.907 173 Q HN 0.182 nan 8.270 nan 0.000 0.418 174 L N 0.648 122.020 121.223 0.249 0.000 2.198 174 L HA -0.349 3.992 4.340 0.001 0.000 0.218 174 L C 2.183 179.179 176.870 0.210 0.000 1.084 174 L CA 2.072 57.092 54.840 0.299 0.000 0.779 174 L CB -1.464 40.794 42.059 0.333 0.000 0.890 174 L HN 0.235 nan 8.230 nan 0.000 0.439 175 A N -0.882 122.032 122.820 0.157 0.000 1.841 175 A HA -0.288 4.032 4.320 0.001 0.000 0.216 175 A C 2.244 179.908 177.584 0.133 0.000 1.199 175 A CA 1.960 54.074 52.037 0.128 0.000 0.621 175 A CB -0.604 18.452 19.000 0.093 0.000 0.835 175 A HN 0.554 nan 8.150 nan 0.000 0.445 176 Q N -0.530 119.337 119.800 0.112 0.000 1.975 176 Q HA -0.130 4.211 4.340 0.001 0.000 0.205 176 Q C 2.471 178.538 176.000 0.111 0.000 0.990 176 Q CA 1.506 57.364 55.803 0.093 0.000 0.845 176 Q CB -0.581 28.209 28.738 0.086 0.000 0.913 176 Q HN 0.650 nan 8.270 nan 0.000 0.420 177 A N 1.977 124.880 122.820 0.138 0.000 1.873 177 A HA -0.278 4.042 4.320 0.001 0.000 0.219 177 A C 1.817 179.354 177.584 -0.078 0.000 1.269 177 A CA 1.930 54.030 52.037 0.105 0.000 0.671 177 A CB -1.734 17.389 19.000 0.205 0.000 0.842 177 A HN 0.782 nan 8.150 nan 0.000 0.460 178 W N 0.517 121.594 121.300 -0.372 0.000 2.317 178 W HA -0.223 4.441 4.660 0.006 0.000 0.318 178 W C 2.170 178.576 176.519 -0.188 0.000 1.227 178 W CA 2.398 59.462 57.345 -0.468 0.000 1.269 178 W CB -0.381 28.821 29.460 -0.430 0.000 1.155 178 W HN 0.421 nan 8.180 nan 0.000 0.484 179 K N -0.578 119.750 120.400 -0.119 0.000 2.103 179 K HA -0.276 4.045 4.320 0.001 0.000 0.207 179 K C 2.204 178.755 176.600 -0.081 0.000 1.048 179 K CA 1.832 58.047 56.287 -0.119 0.000 0.930 179 K CB -0.864 31.652 32.500 0.027 0.000 0.716 179 K HN 0.291 nan 8.250 nan 0.000 0.444 180 Y N 0.198 120.389 120.300 -0.182 0.000 2.200 180 Y HA -0.204 4.349 4.550 0.005 0.000 0.290 180 Y C 1.880 177.663 175.900 -0.194 0.000 1.137 180 Y CA 0.706 58.723 58.100 -0.138 0.000 1.163 180 Y CB 0.041 38.460 38.460 -0.068 0.000 0.988 180 Y HN 0.112 nan 8.280 nan 0.000 0.518 181 A N -0.381 122.249 122.820 -0.317 0.000 2.259 181 A HA -0.191 4.129 4.320 0.001 0.000 0.212 181 A C 1.626 178.940 177.584 -0.449 0.000 1.178 181 A CA 1.560 53.329 52.037 -0.447 0.000 0.734 181 A CB -0.400 18.303 19.000 -0.495 0.000 0.774 181 A HN 0.573 nan 8.150 nan 0.000 0.481 182 Q N -2.004 117.569 119.800 -0.379 0.000 2.391 182 Q HA 0.133 4.474 4.340 0.001 0.000 0.243 182 Q C 1.934 177.855 176.000 -0.132 0.000 0.874 182 Q CA 0.819 56.451 55.803 -0.285 0.000 0.950 182 Q CB -0.118 28.423 28.738 -0.329 0.000 1.103 182 Q HN 0.739 nan 8.270 nan 0.000 0.544 183 Q N 0.003 119.779 119.800 -0.041 0.000 1.985 183 Q HA -0.089 4.251 4.340 0.001 0.000 0.207 183 Q C 0.562 176.565 176.000 0.004 0.000 0.996 183 Q CA 1.733 57.582 55.803 0.077 0.000 0.851 183 Q CB -0.487 28.499 28.738 0.413 0.000 0.921 183 Q HN 0.352 nan 8.270 nan 0.000 0.418 184 G N -1.833 106.915 108.800 -0.087 0.000 2.522 184 G HA2 0.516 4.476 3.960 0.001 0.000 0.304 184 G HA3 0.516 4.476 3.960 0.001 0.000 0.304 184 G C -0.312 174.513 174.900 -0.124 0.000 1.210 184 G CA -0.102 44.933 45.100 -0.109 0.000 0.960 184 G HN 0.707 nan 8.290 nan 0.000 0.497 191 R N -0.397 120.146 120.500 0.072 0.000 2.854 191 R HA 0.857 5.198 4.340 0.001 0.000 0.271 191 R C -0.453 175.945 176.300 0.163 0.000 0.994 191 R CA -0.954 55.247 56.100 0.167 0.000 0.945 191 R CB 2.932 33.335 30.300 0.171 0.000 1.194 191 R HN 0.521 nan 8.270 nan 0.000 0.476 192 V N -1.285 118.793 119.914 0.273 0.000 3.181 192 V HA 0.716 4.837 4.120 0.001 0.000 0.307 192 V C -1.223 175.031 176.094 0.266 0.000 1.310 192 V CA -0.932 61.517 62.300 0.248 0.000 1.067 192 V CB 2.238 34.206 31.823 0.242 0.000 1.081 192 V HN 0.796 nan 8.190 nan 0.000 0.453 193 I N 0.771 121.409 120.570 0.112 0.000 2.545 193 I HA 0.778 4.949 4.170 0.001 0.000 0.292 193 I C -1.462 174.629 176.117 -0.045 0.000 1.040 193 I CA -0.927 60.281 61.300 -0.154 0.000 1.068 193 I CB 2.128 39.959 38.000 -0.283 0.000 1.251 193 I HN 0.624 nan 8.210 nan 0.000 0.424 194 V N 6.558 126.398 119.914 -0.123 0.000 2.376 194 V HA 0.454 4.574 4.120 0.001 0.000 0.287 194 V C -0.405 175.624 176.094 -0.108 0.000 1.015 194 V CA -0.546 61.692 62.300 -0.102 0.000 0.834 194 V CB 1.215 32.919 31.823 -0.199 0.000 1.001 194 V HN 0.705 nan 8.190 nan 0.000 0.428 195 E N 2.456 122.613 120.200 -0.071 0.000 2.202 195 E HA 0.622 4.972 4.350 0.001 0.000 0.272 195 E C 0.457 177.015 176.600 -0.071 0.000 0.951 195 E CA -0.568 55.816 56.400 -0.027 0.000 0.813 195 E CB 2.175 31.888 29.700 0.022 0.000 1.151 195 E HN 0.808 nan 8.360 nan 0.000 0.398 196 G N 0.617 109.395 108.800 -0.038 0.000 2.636 196 G HA2 0.252 4.212 3.960 0.001 0.000 0.246 196 G HA3 0.252 4.212 3.960 0.001 0.000 0.246 196 G C -0.415 174.454 174.900 -0.053 0.000 1.216 196 G CA -0.434 44.628 45.100 -0.063 0.000 0.854 196 G HN 0.290 nan 8.290 nan 0.000 0.572 197 V N 0.938 120.808 119.914 -0.073 0.000 2.407 197 V HA 0.244 4.365 4.120 0.001 0.000 0.278 197 V C 0.222 176.291 176.094 -0.041 0.000 1.037 197 V CA -0.520 61.752 62.300 -0.048 0.000 0.900 197 V CB 1.472 33.278 31.823 -0.029 0.000 0.983 197 V HN 0.465 nan 8.190 nan 0.000 0.459 198 V N 5.259 125.128 119.914 -0.076 0.000 2.432 198 V HA 0.346 4.466 4.120 0.001 0.000 0.275 198 V C 0.194 176.172 176.094 -0.192 0.000 1.043 198 V CA -0.730 61.515 62.300 -0.090 0.000 0.925 198 V CB 1.538 33.302 31.823 -0.098 0.000 0.985 198 V HN 0.821 nan 8.190 nan 0.000 0.466 199 K N 6.407 126.708 120.400 -0.166 0.000 2.290 199 K HA 0.394 4.714 4.320 0.001 0.000 0.250 199 K C -0.491 175.967 176.600 -0.237 0.000 1.092 199 K CA -0.377 55.727 56.287 -0.305 0.000 1.006 199 K CB -0.153 32.222 32.500 -0.209 0.000 1.549 199 K HN 0.466 nan 8.250 nan 0.000 0.436 200 F N -0.067 119.791 119.950 -0.152 0.000 2.368 200 F HA 0.425 4.952 4.527 0.000 0.000 0.315 200 F C 0.790 176.520 175.800 -0.117 0.000 1.145 200 F CA -0.708 57.209 58.000 -0.137 0.000 1.095 200 F CB 0.645 39.570 39.000 -0.125 0.000 1.286 200 F HN 0.225 nan 8.300 nan 0.000 0.530 201 D N 0.098 120.533 120.400 0.059 0.000 2.183 201 D HA 0.080 4.720 4.640 0.001 0.000 0.205 201 D C -0.149 176.331 176.300 0.300 0.000 0.962 201 D CA 1.588 55.615 54.000 0.045 0.000 0.849 201 D CB 0.055 40.815 40.800 -0.066 0.000 0.978 201 D HN 0.484 nan 8.370 nan 0.000 0.488 202 F N -1.430 118.792 119.950 0.454 0.000 2.770 202 F HA 0.483 5.010 4.527 0.000 0.000 0.313 202 F C -0.926 174.875 175.800 0.002 0.000 1.154 202 F CA -1.274 56.927 58.000 0.336 0.000 0.923 202 F CB 1.248 40.366 39.000 0.197 0.000 1.301 202 F HN -0.429 nan 8.300 nan 0.000 0.449 203 E N 1.730 121.940 120.200 0.018 0.000 2.212 203 E HA 0.779 5.129 4.350 0.001 0.000 0.270 203 E C -0.971 175.504 176.600 -0.208 0.000 0.956 203 E CA -1.119 55.109 56.400 -0.287 0.000 0.825 203 E CB 2.914 32.344 29.700 -0.451 0.000 1.167 203 E HN 0.674 nan 8.360 nan 0.000 0.400 204 I N -2.377 118.068 120.570 -0.210 0.000 3.095 204 I HA 0.574 4.744 4.170 0.001 0.000 0.310 204 I C -0.931 175.083 176.117 -0.172 0.000 1.196 204 I CA -0.770 60.423 61.300 -0.180 0.000 0.985 204 I CB 2.608 40.577 38.000 -0.052 0.000 1.250 204 I HN 0.207 nan 8.210 nan 0.000 0.446 205 T N 4.253 118.707 114.554 -0.168 0.000 2.809 205 T HA 0.503 4.853 4.350 0.001 0.000 0.284 205 T C -0.834 173.756 174.700 -0.184 0.000 0.992 205 T CA -0.228 61.718 62.100 -0.257 0.000 0.957 205 T CB 1.370 69.971 68.868 -0.446 0.000 0.942 205 T HN 0.484 nan 8.240 nan 0.000 0.439 206 L N 5.250 126.392 121.223 -0.136 0.000 2.272 206 L HA 0.493 4.833 4.340 0.001 0.000 0.284 206 L C -0.689 176.188 176.870 0.011 0.000 1.045 206 L CA -0.568 54.242 54.840 -0.050 0.000 0.842 206 L CB 0.082 42.117 42.059 -0.041 0.000 1.224 206 L HN 0.608 nan 8.230 nan 0.000 0.430 207 L N 5.210 126.434 121.223 0.001 0.000 2.485 207 L HA 0.290 4.631 4.340 0.001 0.000 0.279 207 L C 0.082 177.019 176.870 0.112 0.000 1.124 207 L CA 0.179 55.029 54.840 0.016 0.000 0.888 207 L CB -0.069 41.956 42.059 -0.056 0.000 1.217 207 L HN 0.567 nan 8.230 nan 0.000 0.464 208 T N 2.793 117.439 114.554 0.153 0.000 2.786 208 T HA 0.330 4.680 4.350 0.001 0.000 0.283 208 T C -0.354 174.428 174.700 0.138 0.000 0.992 208 T CA -0.394 61.788 62.100 0.137 0.000 0.954 208 T CB 2.162 71.146 68.868 0.195 0.000 0.934 208 T HN 0.237 nan 8.240 nan 0.000 0.440 209 V N 3.576 123.507 119.914 0.029 0.000 2.394 209 V HA 0.647 4.767 4.120 0.001 0.000 0.282 209 V C -0.113 176.008 176.094 0.044 0.000 1.031 209 V CA -0.303 62.050 62.300 0.088 0.000 0.881 209 V CB 1.633 33.477 31.823 0.035 0.000 0.982 209 V HN 0.881 nan 8.190 nan 0.000 0.451 210 S N 5.726 121.532 115.700 0.178 0.000 2.438 210 S HA 0.861 5.331 4.470 0.001 0.000 0.316 210 S C -0.168 174.495 174.600 0.105 0.000 1.084 210 S CA 0.240 58.527 58.200 0.145 0.000 1.107 210 S CB 0.767 64.123 63.200 0.259 0.000 0.981 210 S HN 1.322 nan 8.310 nan 0.000 0.466 211 A N 3.678 126.419 122.820 -0.132 0.000 2.504 211 A HA 0.694 5.014 4.320 0.001 0.000 0.285 211 A C 0.934 178.071 177.584 -0.746 0.000 1.261 211 A CA -0.395 51.281 52.037 -0.601 0.000 0.741 211 A CB 0.296 19.096 19.000 -0.333 0.000 1.327 211 A HN 0.954 nan 8.150 nan 0.000 0.441 212 V N 0.685 120.074 119.914 -0.875 0.000 2.469 212 V HA -0.143 3.977 4.120 0.001 0.000 0.251 212 V C 1.275 177.294 176.094 -0.125 0.000 1.064 212 V CA 2.971 65.047 62.300 -0.374 0.000 1.066 212 V CB -0.670 31.028 31.823 -0.209 0.000 0.667 212 V HN 0.910 nan 8.190 nan 0.000 0.461 213 D N -1.485 118.846 120.400 -0.115 0.000 2.395 213 D HA 0.378 5.019 4.640 0.001 0.000 0.226 213 D C 0.786 177.082 176.300 -0.006 0.000 1.146 213 D CA 0.794 54.781 54.000 -0.022 0.000 0.830 213 D CB 0.112 40.920 40.800 0.013 0.000 0.958 213 D HN 0.668 nan 8.370 nan 0.000 0.501 214 G N -0.718 108.051 108.800 -0.052 0.000 2.500 214 G HA2 -0.126 3.834 3.960 0.001 0.000 0.209 214 G HA3 -0.126 3.834 3.960 0.001 0.000 0.209 214 G C -1.092 173.715 174.900 -0.155 0.000 1.283 214 G CA -0.381 44.659 45.100 -0.100 0.000 0.960 214 G HN 0.284 nan 8.290 nan 0.000 0.528 215 V N 1.401 121.135 119.914 -0.299 0.000 2.427 215 V HA 0.689 4.809 4.120 0.001 0.000 0.286 215 V C 0.071 175.718 176.094 -0.745 0.000 1.034 215 V CA -0.327 61.723 62.300 -0.417 0.000 0.893 215 V CB 1.301 32.881 31.823 -0.406 0.000 0.982 215 V HN 0.817 nan 8.190 nan 0.000 0.452 216 H N 3.450 122.219 119.070 -0.502 0.000 2.747 216 H HA 0.706 5.262 4.556 0.001 0.000 0.371 216 H C -1.151 173.822 175.328 -0.591 0.000 1.161 216 H CA -0.399 55.365 56.048 -0.474 0.000 1.167 216 H CB 1.866 31.502 29.762 -0.211 0.000 1.732 216 H HN 0.515 nan 8.280 nan 0.000 0.544 217 F N 0.114 120.118 119.950 0.090 0.000 2.522 217 F HA 0.456 4.983 4.527 -0.000 0.000 0.324 217 F C -0.087 175.721 175.800 0.013 0.000 1.077 217 F CA -0.797 57.222 58.000 0.031 0.000 0.944 217 F CB 1.279 40.281 39.000 0.003 0.000 1.175 217 F HN 0.373 nan 8.300 nan 0.000 0.468 218 C N 1.600 121.010 119.300 0.184 0.000 2.382 218 C HA 0.738 5.199 4.460 0.001 0.000 0.363 218 C C 0.643 175.674 174.990 0.067 0.000 1.213 218 C CA -0.827 58.233 59.018 0.071 0.000 2.363 218 C CB 0.796 28.540 27.740 0.006 0.000 2.397 218 C HN 0.910 nan 8.230 nan 0.000 0.573 219 A N 3.753 126.585 122.820 0.021 0.000 2.498 219 A HA 0.420 4.741 4.320 0.001 0.000 0.239 219 A C -2.053 175.522 177.584 -0.015 0.000 1.068 219 A CA -0.539 51.503 52.037 0.007 0.000 0.766 219 A CB -0.531 18.470 19.000 0.001 0.000 1.003 219 A HN 0.752 nan 8.150 nan 0.000 0.497 220 P HA 0.104 nan 4.420 nan 0.000 0.264 220 P C -0.633 176.616 177.300 -0.085 0.000 1.183 220 P CA 0.243 63.311 63.100 -0.054 0.000 0.763 220 P CB 0.365 32.042 31.700 -0.039 0.000 0.807 221 V N 4.099 123.931 119.914 -0.136 0.000 2.350 221 V HA 0.503 4.624 4.120 0.001 0.000 0.276 221 V C 1.128 177.003 176.094 -0.365 0.000 1.028 221 V CA -0.155 62.013 62.300 -0.220 0.000 0.860 221 V CB 1.104 32.807 31.823 -0.200 0.000 0.990 221 V HN 0.765 nan 8.190 nan 0.000 0.453 222 G N 3.408 111.776 108.800 -0.720 0.000 2.477 222 G HA2 0.722 4.682 3.960 0.001 0.000 0.304 222 G HA3 0.722 4.682 3.960 0.001 0.000 0.304 222 G C -0.827 173.089 174.900 -1.640 0.000 1.175 222 G CA -0.292 44.160 45.100 -1.080 0.000 0.907 222 G HN 1.058 nan 8.290 nan 0.000 0.509 223 H N -2.184 116.152 119.070 -1.222 0.000 2.967 223 H HA 0.693 5.249 4.556 0.001 0.000 0.318 223 H C -1.003 174.253 175.328 -0.120 0.000 1.375 223 H CA -1.118 54.420 56.048 -0.849 0.000 1.132 223 H CB 1.384 30.948 29.762 -0.329 0.000 1.848 223 H HN 0.599 nan 8.280 nan 0.000 0.524 224 R N 1.632 122.361 120.500 0.381 0.000 2.439 224 R HA 0.322 4.663 4.340 0.001 0.000 0.310 224 R C -1.205 175.327 176.300 0.386 0.000 0.955 224 R CA -0.779 55.579 56.100 0.431 0.000 0.853 224 R CB 1.260 31.834 30.300 0.458 0.000 1.171 224 R HN 0.701 nan 8.270 nan 0.000 0.449 225 Q N 2.394 122.405 119.800 0.352 0.000 2.226 225 Q HA 0.309 4.649 4.340 0.001 0.000 0.256 225 Q C -0.999 175.116 176.000 0.193 0.000 0.962 225 Q CA -0.486 55.481 55.803 0.274 0.000 0.887 225 Q CB 2.509 31.418 28.738 0.284 0.000 1.282 225 Q HN 0.638 nan 8.270 nan 0.000 0.449 226 E N 1.445 121.730 120.200 0.142 0.000 2.343 226 E HA 0.070 4.421 4.350 0.001 0.000 0.288 226 E C -1.378 175.273 176.600 0.085 0.000 0.907 226 E CA -0.199 56.263 56.400 0.104 0.000 0.792 226 E CB 0.800 30.551 29.700 0.085 0.000 1.275 226 E HN 0.572 nan 8.360 nan 0.000 0.402 227 D N 3.479 123.928 120.400 0.082 0.000 2.723 227 D HA -0.191 4.449 4.640 0.001 0.000 0.236 227 D C 0.651 177.003 176.300 0.086 0.000 1.138 227 D CA 2.283 56.329 54.000 0.077 0.000 0.676 227 D CB -1.255 39.579 40.800 0.057 0.000 1.069 227 D HN 1.018 nan 8.370 nan 0.000 0.430 228 G N -0.199 108.663 108.800 0.104 0.000 2.166 228 G HA2 -0.302 3.658 3.960 0.001 0.000 0.260 228 G HA3 -0.302 3.658 3.960 0.001 0.000 0.260 228 G C -0.070 174.885 174.900 0.091 0.000 0.986 228 G CA 0.547 45.709 45.100 0.103 0.000 0.683 228 G HN 0.573 nan 8.290 nan 0.000 0.527 229 D N -0.601 119.853 120.400 0.091 0.000 2.375 229 D HA 0.466 5.106 4.640 0.001 0.000 0.247 229 D C 0.440 176.808 176.300 0.113 0.000 1.061 229 D CA -0.550 53.499 54.000 0.082 0.000 0.834 229 D CB 1.162 41.983 40.800 0.035 0.000 1.247 229 D HN 0.308 nan 8.370 nan 0.000 0.489 230 Y N 1.870 122.182 120.300 0.020 0.000 2.397 230 Y HA 0.244 4.794 4.550 -0.000 0.000 0.335 230 Y C 0.704 176.650 175.900 0.076 0.000 1.213 230 Y CA -0.049 58.071 58.100 0.033 0.000 1.391 230 Y CB 0.861 39.283 38.460 -0.063 0.000 1.293 230 Y HN 0.159 nan 8.280 nan 0.000 0.557 231 R N 2.042 122.506 120.500 -0.060 0.000 2.167 231 R HA 0.271 4.611 4.340 0.001 0.000 0.195 231 R C -0.537 175.703 176.300 -0.100 0.000 1.027 231 R CA 0.339 56.352 56.100 -0.145 0.000 1.114 231 R CB -0.215 30.107 30.300 0.037 0.000 1.075 231 R HN 0.851 nan 8.270 nan 0.000 0.538 232 E N -0.198 120.147 120.200 0.242 0.000 2.367 232 E HA 0.432 4.783 4.350 0.001 0.000 0.273 232 E C -1.156 175.794 176.600 0.583 0.000 0.903 232 E CA -0.553 56.104 56.400 0.429 0.000 0.764 232 E CB 2.438 32.420 29.700 0.470 0.000 1.252 232 E HN 0.088 nan 8.360 nan 0.000 0.446 233 S N 0.276 116.283 115.700 0.511 0.000 2.595 233 S HA 0.878 5.349 4.470 0.001 0.000 0.281 233 S C -1.554 173.199 174.600 0.254 0.000 1.117 233 S CA -1.055 57.195 58.200 0.083 0.000 0.873 233 S CB 0.981 64.133 63.200 -0.081 0.000 1.108 233 S HN 0.648 nan 8.310 nan 0.000 0.477 234 W N -0.096 121.261 121.300 0.095 0.000 3.074 234 W HA 0.804 5.466 4.660 0.002 0.000 0.332 234 W C -1.427 175.102 176.519 0.016 0.000 1.253 234 W CA -0.766 56.611 57.345 0.054 0.000 1.180 234 W CB 1.043 30.526 29.460 0.038 0.000 1.445 234 W HN 0.909 nan 8.180 nan 0.000 0.573 235 Q N 1.936 121.888 119.800 0.253 0.000 2.353 235 Q HA 0.444 4.785 4.340 0.001 0.000 0.275 235 Q C -2.868 173.212 176.000 0.133 0.000 1.029 235 Q CA -1.983 53.896 55.803 0.126 0.000 0.848 235 Q CB 3.618 32.383 28.738 0.044 0.000 1.390 235 Q HN 0.266 nan 8.270 nan 0.000 0.401 236 P HA 0.117 nan 4.420 nan 0.000 0.286 236 P C -1.370 175.991 177.300 0.101 0.000 1.261 236 P CA -0.455 62.684 63.100 0.065 0.000 0.821 236 P CB 1.140 32.861 31.700 0.034 0.000 1.013 237 Q N 1.683 121.516 119.800 0.055 0.000 2.304 237 Q HA 0.063 4.404 4.340 0.001 0.000 0.260 237 Q C -0.079 175.885 176.000 -0.060 0.000 0.965 237 Q CA 0.165 55.985 55.803 0.027 0.000 0.898 237 Q CB 0.369 29.038 28.738 -0.115 0.000 1.196 237 Q HN 0.326 nan 8.270 nan 0.000 0.402 238 Q N 4.970 124.710 119.800 -0.100 0.000 2.286 238 Q HA 0.363 4.703 4.340 0.001 0.000 0.267 238 Q C -1.002 174.955 176.000 -0.071 0.000 1.028 238 Q CA 0.098 55.856 55.803 -0.074 0.000 0.901 238 Q CB 0.245 28.945 28.738 -0.063 0.000 1.183 238 Q HN 0.797 nan 8.270 nan 0.000 0.392 239 M N 0.784 120.416 119.600 0.053 0.000 2.644 239 M HA 0.453 4.934 4.480 0.001 0.000 0.273 239 M C -0.642 175.727 176.300 0.115 0.000 1.253 239 M CA -1.134 54.279 55.300 0.189 0.000 0.852 239 M CB 1.626 34.405 32.600 0.298 0.000 1.708 239 M HN 0.484 nan 8.290 nan 0.000 0.471 240 S N -0.389 115.381 115.700 0.117 0.000 2.585 240 S HA 0.406 4.876 4.470 0.001 0.000 0.273 240 S C -2.146 172.479 174.600 0.042 0.000 1.339 240 S CA -0.844 57.396 58.200 0.067 0.000 1.028 240 S CB 0.284 63.519 63.200 0.058 0.000 0.906 240 S HN 0.618 nan 8.310 nan 0.000 0.528 241 P HA -0.085 nan 4.420 nan 0.000 0.218 241 P C 1.588 178.889 177.300 0.001 0.000 1.148 241 P CA 0.426 63.532 63.100 0.010 0.000 0.822 241 P CB -0.066 31.640 31.700 0.010 0.000 0.784 242 L N 0.018 121.246 121.223 0.008 0.000 2.017 242 L HA -0.070 4.271 4.340 0.001 0.000 0.208 242 L C 2.320 179.188 176.870 -0.004 0.000 1.073 242 L CA 2.075 56.916 54.840 0.001 0.000 0.745 242 L CB -1.662 40.402 42.059 0.008 0.000 0.894 242 L HN -0.107 nan 8.230 nan 0.000 0.432 243 A N -0.734 122.093 122.820 0.011 0.000 1.883 243 A HA -0.219 4.102 4.320 0.001 0.000 0.217 243 A C 2.246 179.822 177.584 -0.014 0.000 1.186 243 A CA 1.998 54.041 52.037 0.010 0.000 0.624 243 A CB -1.061 17.967 19.000 0.048 0.000 0.822 243 A HN 0.469 nan 8.150 nan 0.000 0.444 244 L N 0.035 121.248 121.223 -0.016 0.000 2.046 244 L HA -0.134 4.207 4.340 0.001 0.000 0.208 244 L C 2.221 179.018 176.870 -0.121 0.000 1.077 244 L CA 2.571 57.372 54.840 -0.064 0.000 0.747 244 L CB -0.753 41.276 42.059 -0.051 0.000 0.896 244 L HN 0.602 nan 8.230 nan 0.000 0.432 245 E N -0.709 119.441 120.200 -0.083 0.000 2.058 245 E HA -0.277 4.074 4.350 0.001 0.000 0.194 245 E C 2.368 178.907 176.600 -0.101 0.000 0.997 245 E CA 1.363 57.709 56.400 -0.091 0.000 0.801 245 E CB -0.049 29.624 29.700 -0.046 0.000 0.746 245 E HN 0.440 nan 8.360 nan 0.000 0.450 246 R N -0.232 120.226 120.500 -0.070 0.000 2.081 246 R HA -0.123 4.217 4.340 0.001 0.000 0.235 246 R C 2.354 178.605 176.300 -0.082 0.000 1.131 246 R CA 1.143 57.208 56.100 -0.058 0.000 0.960 246 R CB -0.257 30.024 30.300 -0.031 0.000 0.856 246 R HN 0.164 nan 8.270 nan 0.000 0.436 247 A N 0.880 123.636 122.820 -0.107 0.000 1.902 247 A HA -0.232 4.088 4.320 0.001 0.000 0.217 247 A C 2.020 179.469 177.584 -0.225 0.000 1.181 247 A CA 1.314 53.272 52.037 -0.131 0.000 0.623 247 A CB -0.422 18.500 19.000 -0.130 0.000 0.818 247 A HN 0.346 nan 8.150 nan 0.000 0.443 248 Q N -0.641 118.924 119.800 -0.392 0.000 2.084 248 Q HA -0.210 4.131 4.340 0.001 0.000 0.202 248 Q C 2.034 177.894 176.000 -0.234 0.000 0.978 248 Q CA 1.634 57.000 55.803 -0.728 0.000 0.844 248 Q CB -0.190 27.959 28.738 -0.982 0.000 0.898 248 Q HN 0.773 nan 8.270 nan 0.000 0.426 249 E N 0.545 120.667 120.200 -0.130 0.000 2.038 249 E HA -0.206 4.145 4.350 0.001 0.000 0.195 249 E C 1.983 178.566 176.600 -0.029 0.000 1.000 249 E CA 1.099 57.476 56.400 -0.039 0.000 0.803 249 E CB -0.119 29.557 29.700 -0.040 0.000 0.750 249 E HN 0.341 nan 8.360 nan 0.000 0.448 250 I N 0.954 121.497 120.570 -0.045 0.000 2.163 250 I HA -0.319 3.851 4.170 0.001 0.000 0.243 250 I C 2.569 178.668 176.117 -0.031 0.000 1.085 250 I CA 1.098 62.375 61.300 -0.039 0.000 1.347 250 I CB -0.381 37.616 38.000 -0.004 0.000 1.044 250 I HN 0.117 nan 8.210 nan 0.000 0.408 251 A N 0.853 123.683 122.820 0.016 0.000 1.883 251 A HA -0.289 4.032 4.320 0.001 0.000 0.217 251 A C 2.423 180.051 177.584 0.074 0.000 1.186 251 A CA 2.183 54.274 52.037 0.090 0.000 0.624 251 A CB -0.773 18.341 19.000 0.189 0.000 0.822 251 A HN 0.410 nan 8.150 nan 0.000 0.444 252 R N 0.060 120.651 120.500 0.152 0.000 2.080 252 R HA -0.191 4.149 4.340 0.001 0.000 0.236 252 R C 2.143 178.412 176.300 -0.052 0.000 1.137 252 R CA 2.039 58.179 56.100 0.066 0.000 0.943 252 R CB -0.330 30.047 30.300 0.127 0.000 0.846 252 R HN 0.525 nan 8.270 nan 0.000 0.431 253 K N 0.008 120.377 120.400 -0.053 0.000 2.044 253 K HA -0.147 4.173 4.320 0.001 0.000 0.210 253 K C 2.145 178.658 176.600 -0.146 0.000 1.049 253 K CA 1.847 58.079 56.287 -0.093 0.000 0.927 253 K CB -0.343 32.104 32.500 -0.088 0.000 0.713 253 K HN 0.107 nan 8.250 nan 0.000 0.443 254 V N 1.823 121.629 119.914 -0.181 0.000 2.270 254 V HA -0.224 3.897 4.120 0.001 0.000 0.245 254 V C 2.570 178.511 176.094 -0.254 0.000 1.043 254 V CA 1.918 64.078 62.300 -0.233 0.000 1.014 254 V CB -0.583 31.090 31.823 -0.251 0.000 0.645 254 V HN 0.281 nan 8.190 nan 0.000 0.447 255 V N -1.159 118.548 119.914 -0.345 0.000 2.343 255 V HA -0.232 3.888 4.120 0.001 0.000 0.247 255 V C 2.184 178.013 176.094 -0.441 0.000 1.051 255 V CA 2.055 63.940 62.300 -0.693 0.000 1.036 255 V CB -0.828 30.405 31.823 -0.983 0.000 0.654 255 V HN 0.463 nan 8.190 nan 0.000 0.451 256 L N 0.469 121.544 121.223 -0.248 0.000 2.141 256 L HA -0.008 4.333 4.340 0.001 0.000 0.209 256 L C 3.019 179.822 176.870 -0.111 0.000 1.094 256 L CA 1.511 56.265 54.840 -0.143 0.000 0.763 256 L CB -0.849 41.151 42.059 -0.098 0.000 0.908 256 L HN 0.468 nan 8.230 nan 0.000 0.437 257 A N -0.003 122.743 122.820 -0.124 0.000 1.929 257 A HA -0.097 4.224 4.320 0.001 0.000 0.216 257 A C 2.219 179.767 177.584 -0.060 0.000 1.176 257 A CA 1.088 53.072 52.037 -0.088 0.000 0.628 257 A CB -0.449 18.491 19.000 -0.100 0.000 0.816 257 A HN 0.345 nan 8.150 nan 0.000 0.444 258 L N -1.109 120.072 121.223 -0.070 0.000 2.109 258 L HA 0.171 4.512 4.340 0.001 0.000 0.207 258 L C 1.454 178.360 176.870 0.059 0.000 1.086 258 L CA 0.604 55.457 54.840 0.021 0.000 0.760 258 L CB -0.946 41.177 42.059 0.108 0.000 0.910 258 L HN 0.627 nan 8.230 nan 0.000 0.437 259 G N -0.820 107.993 108.800 0.021 0.000 2.787 259 G HA2 0.218 4.178 3.960 0.001 0.000 0.685 259 G HA3 0.218 4.178 3.960 0.001 0.000 0.685 259 G C 0.101 175.095 174.900 0.156 0.000 1.437 259 G CA -0.440 44.689 45.100 0.048 0.000 0.872 259 G HN 0.835 nan 8.290 nan 0.000 0.566 260 G N -1.066 107.775 108.800 0.068 0.000 2.712 260 G HA2 0.310 4.271 3.960 0.001 0.000 0.686 260 G HA3 0.310 4.271 3.960 0.001 0.000 0.686 260 G C -0.472 174.575 174.900 0.244 0.000 1.321 260 G CA 0.146 45.277 45.100 0.052 0.000 0.813 260 G HN 1.844 nan 8.290 nan 0.000 0.599 261 Y N 0.606 121.020 120.300 0.191 0.000 2.304 261 Y HA 0.658 5.209 4.550 0.001 0.000 0.328 261 Y C 1.239 177.253 175.900 0.190 0.000 1.123 261 Y CA -0.002 58.215 58.100 0.195 0.000 1.218 261 Y CB 1.403 39.943 38.460 0.132 0.000 1.207 261 Y HN 1.692 nan 8.280 nan 0.000 0.495 262 G N 1.295 110.341 108.800 0.410 0.000 0.000 262 G HA2 0.282 4.242 3.960 0.001 0.000 0.000 262 G HA3 0.282 4.242 3.960 0.001 0.000 0.000 262 G C -2.415 172.693 174.900 0.347 0.000 0.000 262 G CA -1.184 44.086 45.100 0.283 0.000 0.000 262 G HN 0.614 nan 8.290 nan 0.000 0.000 263 L N 0.104 121.576 121.223 0.416 0.000 2.275 263 L HA 0.841 5.182 4.340 0.001 0.000 0.288 263 L C -1.113 175.720 176.870 -0.061 0.000 1.046 263 L CA -0.745 54.201 54.840 0.175 0.000 0.805 263 L CB 0.526 42.614 42.059 0.048 0.000 1.193 263 L HN 0.373 nan 8.230 nan 0.000 0.426 264 F N 2.685 122.656 119.950 0.036 0.000 2.469 264 F HA 0.589 5.116 4.527 -0.000 0.000 0.332 264 F C 0.882 176.680 175.800 -0.004 0.000 1.103 264 F CA -0.774 57.244 58.000 0.029 0.000 0.979 264 F CB 1.904 40.941 39.000 0.061 0.000 1.137 264 F HN 0.488 nan 8.300 nan 0.000 0.463 265 G N 2.421 111.307 108.800 0.143 0.000 2.607 265 G HA2 0.486 4.447 3.960 0.001 0.000 0.332 265 G HA3 0.486 4.447 3.960 0.001 0.000 0.332 265 G C -1.103 173.795 174.900 -0.003 0.000 1.046 265 G CA -0.445 44.660 45.100 0.008 0.000 1.099 265 G HN 0.456 nan 8.290 nan 0.000 0.451 266 V N 3.320 123.233 119.914 -0.002 0.000 2.389 266 V HA 0.142 4.263 4.120 0.001 0.000 0.264 266 V C 0.355 176.357 176.094 -0.152 0.000 1.049 266 V CA -0.396 61.914 62.300 0.017 0.000 0.932 266 V CB 0.641 32.527 31.823 0.105 0.000 1.011 266 V HN 0.691 nan 8.190 nan 0.000 0.475 267 E N 5.839 125.882 120.200 -0.261 0.000 2.194 267 E HA 0.600 4.950 4.350 0.001 0.000 0.284 267 E C -0.865 175.405 176.600 -0.549 0.000 1.035 267 E CA -0.236 55.924 56.400 -0.400 0.000 0.836 267 E CB 1.268 30.731 29.700 -0.394 0.000 1.070 267 E HN 0.522 nan 8.360 nan 0.000 0.401 268 L N 2.331 123.241 121.223 -0.522 0.000 2.359 268 L HA 0.577 4.918 4.340 0.001 0.000 0.256 268 L C -0.945 175.552 176.870 -0.622 0.000 1.026 268 L CA -1.090 53.429 54.840 -0.535 0.000 0.828 268 L CB 1.211 43.132 42.059 -0.230 0.000 1.406 268 L HN 0.393 nan 8.230 nan 0.000 0.413 269 F N 0.349 120.162 119.950 -0.227 0.000 2.495 269 F HA 0.677 5.204 4.527 -0.001 0.000 0.327 269 F C -0.187 175.483 175.800 -0.217 0.000 1.103 269 F CA -1.062 56.745 58.000 -0.321 0.000 0.949 269 F CB 1.981 40.835 39.000 -0.243 0.000 1.142 269 F HN -0.109 nan 8.300 nan 0.000 0.457 270 V N 1.758 121.582 119.914 -0.150 0.000 2.487 270 V HA 0.466 4.586 4.120 0.001 0.000 0.298 270 V C -0.903 175.005 176.094 -0.310 0.000 1.028 270 V CA -0.801 61.314 62.300 -0.308 0.000 0.860 270 V CB 1.570 32.985 31.823 -0.681 0.000 0.991 270 V HN 0.909 nan 8.190 nan 0.000 0.427 271 C N 4.340 123.557 119.300 -0.139 0.000 2.386 271 C HA 0.823 5.283 4.460 0.001 0.000 0.318 271 C C 1.265 176.219 174.990 -0.060 0.000 1.128 271 C CA -0.099 58.870 59.018 -0.082 0.000 1.438 271 C CB -0.239 27.497 27.740 -0.007 0.000 1.987 271 C HN 1.404 nan 8.230 nan 0.000 0.426 272 G N 3.840 112.606 108.800 -0.056 0.000 2.591 272 G HA2 -0.258 3.703 3.960 0.001 0.000 0.298 272 G HA3 -0.258 3.703 3.960 0.001 0.000 0.298 272 G C 0.308 175.207 174.900 -0.002 0.000 1.195 272 G CA 0.977 46.075 45.100 -0.005 0.000 0.989 272 G HN 0.589 nan 8.290 nan 0.000 0.551 273 D N 2.131 122.536 120.400 0.007 0.000 2.349 273 D HA 0.233 4.873 4.640 0.001 0.000 0.214 273 D C 0.540 176.841 176.300 0.002 0.000 1.063 273 D CA 0.446 54.452 54.000 0.011 0.000 0.847 273 D CB 0.273 41.082 40.800 0.015 0.000 0.933 273 D HN 0.388 nan 8.370 nan 0.000 0.513 274 E N 0.624 120.821 120.200 -0.004 0.000 2.249 274 E HA 0.361 4.711 4.350 0.001 0.000 0.280 274 E C -0.079 176.519 176.600 -0.002 0.000 1.016 274 E CA -0.645 55.756 56.400 0.003 0.000 0.830 274 E CB 2.470 32.178 29.700 0.014 0.000 1.081 274 E HN -0.197 nan 8.360 nan 0.000 0.395 275 V N 3.531 123.451 119.914 0.010 0.000 2.656 275 V HA 0.449 4.570 4.120 0.001 0.000 0.307 275 V C -0.212 175.912 176.094 0.050 0.000 1.051 275 V CA -0.844 61.462 62.300 0.011 0.000 0.893 275 V CB 1.573 33.390 31.823 -0.011 0.000 0.999 275 V HN 0.464 nan 8.190 nan 0.000 0.426 276 I N 4.192 124.808 120.570 0.077 0.000 2.406 276 I HA 0.409 4.579 4.170 0.001 0.000 0.290 276 I C -0.376 175.779 176.117 0.063 0.000 0.999 276 I CA -0.267 61.110 61.300 0.129 0.000 1.124 276 I CB 1.580 39.725 38.000 0.241 0.000 1.289 276 I HN 0.595 nan 8.210 nan 0.000 0.441 277 F N 5.194 125.118 119.950 -0.043 0.000 2.484 277 F HA 0.267 4.793 4.527 -0.001 0.000 0.360 277 F C 1.220 176.941 175.800 -0.132 0.000 1.101 277 F CA 0.724 58.659 58.000 -0.107 0.000 1.251 277 F CB 1.177 40.138 39.000 -0.065 0.000 1.132 277 F HN 0.587 nan 8.300 nan 0.000 0.570 278 S N 3.014 118.050 115.700 -1.106 0.000 2.942 278 S HA 0.262 4.732 4.470 0.001 0.000 0.220 278 S C -0.327 173.601 174.600 -1.120 0.000 0.945 278 S CA 0.512 58.174 58.200 -0.898 0.000 0.851 278 S CB -0.228 62.355 63.200 -1.028 0.000 0.820 278 S HN 0.856 nan 8.310 nan 0.000 0.624 279 E N -0.921 118.495 120.200 -1.307 0.000 2.402 279 E HA 0.618 4.969 4.350 0.001 0.000 0.270 279 E C -1.715 174.654 176.600 -0.386 0.000 1.131 279 E CA -0.999 54.949 56.400 -0.752 0.000 0.884 279 E CB 1.486 31.040 29.700 -0.244 0.000 1.564 279 E HN 0.229 nan 8.360 nan 0.000 0.456 280 V N 0.795 120.734 119.914 0.041 0.000 2.891 280 V HA 0.559 4.680 4.120 0.001 0.000 0.304 280 V C -1.549 174.646 176.094 0.168 0.000 1.171 280 V CA 0.035 62.434 62.300 0.164 0.000 0.943 280 V CB 2.233 34.268 31.823 0.354 0.000 1.037 280 V HN 0.914 nan 8.190 nan 0.000 0.427 281 S N 6.853 122.651 115.700 0.163 0.000 2.475 281 S HA 0.591 5.062 4.470 0.001 0.000 0.281 281 S C -2.398 172.240 174.600 0.062 0.000 1.198 281 S CA -1.433 56.827 58.200 0.100 0.000 1.063 281 S CB 1.483 64.732 63.200 0.081 0.000 0.972 281 S HN 0.746 nan 8.310 nan 0.000 0.486 282 P HA 0.189 nan 4.420 nan 0.000 0.226 282 P C -0.336 176.724 177.300 -0.401 0.000 1.758 282 P CA -0.124 62.819 63.100 -0.262 0.000 0.896 282 P CB -0.776 30.878 31.700 -0.077 0.000 1.784 283 R N -2.577 117.712 120.500 -0.352 0.000 2.829 283 R HA 0.467 4.807 4.340 0.001 0.000 0.284 283 R C -3.474 172.609 176.300 -0.362 0.000 1.006 283 R CA -2.074 53.756 56.100 -0.449 0.000 0.844 283 R CB -0.777 29.360 30.300 -0.272 0.000 1.309 283 R HN -0.301 nan 8.270 nan 0.000 0.494 284 P HA -0.011 nan 4.420 nan 0.000 0.267 284 P C -1.060 176.175 177.300 -0.108 0.000 1.200 284 P CA 0.251 63.185 63.100 -0.278 0.000 0.772 284 P CB 0.302 31.840 31.700 -0.271 0.000 0.855 285 H N 2.727 121.675 119.070 -0.203 0.000 2.492 285 H HA 0.088 4.645 4.556 0.001 0.000 0.345 285 H C 0.733 175.956 175.328 -0.176 0.000 1.136 285 H CA -0.433 55.512 56.048 -0.172 0.000 1.202 285 H CB 1.437 31.087 29.762 -0.188 0.000 1.524 285 H HN 0.402 nan 8.280 nan 0.000 0.506 286 D N 2.147 122.373 120.400 -0.289 0.000 2.158 286 D HA -0.230 4.411 4.640 0.001 0.000 0.197 286 D C 1.621 177.705 176.300 -0.360 0.000 0.995 286 D CA 2.126 56.025 54.000 -0.168 0.000 0.846 286 D CB -0.803 39.964 40.800 -0.056 0.000 0.941 286 D HN 0.641 nan 8.370 nan 0.000 0.456 287 T N -2.858 111.410 114.554 -0.477 0.000 2.881 287 T HA -0.018 4.333 4.350 0.001 0.000 0.270 287 T C 2.116 176.598 174.700 -0.364 0.000 1.068 287 T CA 1.174 62.800 62.100 -0.790 0.000 1.131 287 T CB -1.109 67.402 68.868 -0.594 0.000 0.871 287 T HN 0.293 nan 8.240 nan 0.000 0.479 288 G N 0.551 109.235 108.800 -0.192 0.000 2.776 288 G HA2 0.097 4.057 3.960 0.001 0.000 0.209 288 G HA3 0.097 4.057 3.960 0.001 0.000 0.209 288 G C 1.349 176.192 174.900 -0.094 0.000 1.145 288 G CA -0.007 44.993 45.100 -0.167 0.000 0.791 288 G HN 0.484 nan 8.290 nan 0.000 0.530 289 M N -0.015 119.598 119.600 0.021 0.000 2.446 289 M HA -0.039 4.441 4.480 0.001 0.000 0.263 289 M C 2.526 178.928 176.300 0.170 0.000 1.066 289 M CA 0.564 55.991 55.300 0.212 0.000 1.087 289 M CB -0.073 32.713 32.600 0.309 0.000 1.406 289 M HN 0.192 nan 8.290 nan 0.000 0.459 290 V N 0.768 120.740 119.914 0.096 0.000 2.469 290 V HA -0.244 3.877 4.120 0.001 0.000 0.251 290 V C 2.344 178.490 176.094 0.086 0.000 1.064 290 V CA 2.537 64.901 62.300 0.107 0.000 1.066 290 V CB -0.712 31.163 31.823 0.087 0.000 0.667 290 V HN 0.693 nan 8.190 nan 0.000 0.461 291 T N -2.059 112.515 114.554 0.034 0.000 3.025 291 T HA -0.130 4.221 4.350 0.001 0.000 0.270 291 T C 1.697 176.442 174.700 0.075 0.000 1.126 291 T CA 1.577 63.684 62.100 0.012 0.000 1.105 291 T CB -0.614 68.207 68.868 -0.079 0.000 0.884 291 T HN 0.510 nan 8.240 nan 0.000 0.522 292 L N -0.644 120.665 121.223 0.145 0.000 2.362 292 L HA 0.289 4.630 4.340 0.001 0.000 0.219 292 L C 2.331 179.289 176.870 0.146 0.000 1.134 292 L CA 0.963 55.910 54.840 0.178 0.000 0.807 292 L CB -0.238 41.948 42.059 0.212 0.000 0.927 292 L HN 0.347 nan 8.230 nan 0.000 0.447 293 I N -2.121 118.534 120.570 0.141 0.000 4.471 293 I HA -0.073 4.098 4.170 0.001 0.000 0.326 293 I C 2.182 178.419 176.117 0.200 0.000 1.300 293 I CA 0.420 61.810 61.300 0.149 0.000 1.237 293 I CB 0.501 38.575 38.000 0.124 0.000 1.195 293 I HN 0.137 nan 8.210 nan 0.000 0.427 294 S N -0.312 115.481 115.700 0.156 0.000 2.528 294 S HA 0.197 4.667 4.470 0.001 0.000 0.219 294 S C 0.658 175.269 174.600 0.017 0.000 0.985 294 S CA -0.096 58.186 58.200 0.137 0.000 0.914 294 S CB 0.042 63.290 63.200 0.079 0.000 0.776 294 S HN 0.458 nan 8.310 nan 0.000 0.526 295 Q N 0.301 120.080 119.800 -0.035 0.000 2.495 295 Q HA 0.276 4.617 4.340 0.001 0.000 0.287 295 Q C -0.358 175.520 176.000 -0.203 0.000 1.078 295 Q CA -0.433 55.182 55.803 -0.312 0.000 0.793 295 Q CB 1.565 30.200 28.738 -0.171 0.000 1.459 295 Q HN 0.261 nan 8.270 nan 0.000 0.422 296 D N 0.245 120.438 120.400 -0.346 0.000 2.144 296 D HA -0.086 4.554 4.640 0.001 0.000 0.200 296 D C 0.299 176.602 176.300 0.005 0.000 0.978 296 D CA 1.181 55.172 54.000 -0.017 0.000 0.833 296 D CB 0.190 40.981 40.800 -0.014 0.000 0.961 296 D HN 0.289 nan 8.370 nan 0.000 0.470 297 L N 1.585 122.773 121.223 -0.059 0.000 2.298 297 L HA 0.302 4.642 4.340 0.001 0.000 0.284 297 L C 0.486 177.332 176.870 -0.040 0.000 1.013 297 L CA -0.901 53.916 54.840 -0.039 0.000 0.824 297 L CB 1.796 43.814 42.059 -0.068 0.000 1.221 297 L HN -0.016 nan 8.230 nan 0.000 0.418 298 S N 0.692 116.396 115.700 0.006 0.000 2.600 298 S HA 0.055 4.526 4.470 0.001 0.000 0.265 298 S C 1.125 175.649 174.600 -0.126 0.000 1.325 298 S CA -0.142 58.054 58.200 -0.007 0.000 1.002 298 S CB 0.889 64.180 63.200 0.152 0.000 0.921 298 S HN 0.815 nan 8.310 nan 0.000 0.554 299 E N 0.691 120.685 120.200 -0.343 0.000 2.209 299 E HA -0.203 4.147 4.350 0.001 0.000 0.196 299 E C 1.140 177.472 176.600 -0.447 0.000 0.993 299 E CA 1.327 57.447 56.400 -0.466 0.000 0.819 299 E CB -0.688 28.631 29.700 -0.633 0.000 0.745 299 E HN 0.738 nan 8.360 nan 0.000 0.477 300 F N 1.802 121.756 119.950 0.005 0.000 2.163 300 F HA 0.109 4.635 4.527 -0.001 0.000 0.297 300 F C 2.716 178.531 175.800 0.023 0.000 1.094 300 F CA 0.816 58.833 58.000 0.028 0.000 1.290 300 F CB -0.744 38.264 39.000 0.014 0.000 1.017 300 F HN 0.114 nan 8.300 nan 0.000 0.483 301 A N 0.500 123.399 122.820 0.133 0.000 1.933 301 A HA -0.089 4.231 4.320 0.001 0.000 0.218 301 A C 2.230 179.790 177.584 -0.039 0.000 1.175 301 A CA 1.329 53.385 52.037 0.032 0.000 0.628 301 A CB -1.130 17.882 19.000 0.020 0.000 0.814 301 A HN 0.399 nan 8.150 nan 0.000 0.444 302 L N -1.701 119.499 121.223 -0.039 0.000 2.046 302 L HA -0.198 4.142 4.340 0.001 0.000 0.208 302 L C 2.650 179.503 176.870 -0.028 0.000 1.077 302 L CA 1.674 56.481 54.840 -0.056 0.000 0.747 302 L CB -0.637 41.387 42.059 -0.057 0.000 0.896 302 L HN 0.540 nan 8.230 nan 0.000 0.432 303 H N -0.366 118.649 119.070 -0.091 0.000 2.319 303 H HA -0.155 4.401 4.556 0.000 0.000 0.299 303 H C 2.098 177.295 175.328 -0.219 0.000 1.092 303 H CA 1.924 57.949 56.048 -0.039 0.000 1.302 303 H CB -0.136 29.666 29.762 0.067 0.000 1.373 303 H HN 0.004 nan 8.280 nan 0.000 0.497 304 V N 0.420 120.118 119.914 -0.360 0.000 2.307 304 V HA -0.219 3.901 4.120 0.001 0.000 0.245 304 V C 2.623 178.214 176.094 -0.838 0.000 1.045 304 V CA 2.002 63.716 62.300 -0.978 0.000 1.024 304 V CB -0.536 30.986 31.823 -0.503 0.000 0.651 304 V HN 0.312 nan 8.190 nan 0.000 0.449 305 R N 1.164 121.413 120.500 -0.419 0.000 2.094 305 R HA -0.191 4.149 4.340 0.001 0.000 0.239 305 R C 2.162 178.276 176.300 -0.310 0.000 1.137 305 R CA 2.230 58.147 56.100 -0.306 0.000 0.943 305 R CB -0.949 29.234 30.300 -0.195 0.000 0.850 305 R HN 0.435 nan 8.270 nan 0.000 0.433 306 A N 0.411 123.070 122.820 -0.268 0.000 1.858 306 A HA -0.135 4.185 4.320 0.001 0.000 0.216 306 A C 2.116 179.652 177.584 -0.080 0.000 1.190 306 A CA 1.673 53.597 52.037 -0.187 0.000 0.617 306 A CB -1.077 17.891 19.000 -0.053 0.000 0.827 306 A HN 0.626 nan 8.150 nan 0.000 0.443 307 F N 0.142 120.018 119.950 -0.124 0.000 2.269 307 F HA 0.025 4.554 4.527 0.003 0.000 0.301 307 F C 1.408 177.128 175.800 -0.134 0.000 1.082 307 F CA 0.983 58.916 58.000 -0.112 0.000 1.360 307 F CB -0.876 37.954 39.000 -0.283 0.000 1.041 307 F HN 0.089 nan 8.300 nan 0.000 0.512 308 L N 0.710 121.763 121.223 -0.283 0.000 2.610 308 L HA 0.236 4.577 4.340 0.001 0.000 0.232 308 L C 1.783 178.672 176.870 0.033 0.000 1.149 308 L CA 0.702 55.447 54.840 -0.158 0.000 0.872 308 L CB -1.066 40.815 42.059 -0.297 0.000 0.992 308 L HN 0.579 nan 8.230 nan 0.000 0.447 309 G N 0.526 109.360 108.800 0.057 0.000 2.137 309 G HA2 -0.256 3.704 3.960 0.001 0.000 0.237 309 G HA3 -0.256 3.704 3.960 0.001 0.000 0.237 309 G C 0.030 174.896 174.900 -0.056 0.000 1.002 309 G CA -0.157 44.988 45.100 0.076 0.000 0.702 309 G HN 0.234 nan 8.290 nan 0.000 0.515 310 L N 0.996 122.143 121.223 -0.127 0.000 2.360 310 L HA 0.575 4.916 4.340 0.001 0.000 0.271 310 L C -1.624 175.147 176.870 -0.164 0.000 1.057 310 L CA -2.508 52.256 54.840 -0.126 0.000 0.803 310 L CB 1.486 43.467 42.059 -0.131 0.000 1.207 310 L HN -0.068 nan 8.230 nan 0.000 0.445 311 P HA 0.092 nan 4.420 nan 0.000 0.279 311 P C 0.374 177.588 177.300 -0.142 0.000 1.239 311 P CA -0.335 62.686 63.100 -0.131 0.000 0.789 311 P CB 1.776 33.421 31.700 -0.092 0.000 0.933 312 V N 2.159 121.978 119.914 -0.159 0.000 2.379 312 V HA 0.047 4.167 4.120 0.001 0.000 0.243 312 V C 2.196 178.131 176.094 -0.266 0.000 1.035 312 V CA 2.288 64.466 62.300 -0.202 0.000 1.035 312 V CB -1.587 30.113 31.823 -0.204 0.000 0.673 312 V HN 0.945 nan 8.190 nan 0.000 0.457 313 G N -0.049 108.545 108.800 -0.343 0.000 3.548 313 G HA2 -0.163 3.797 3.960 0.001 0.000 0.224 313 G HA3 -0.163 3.797 3.960 0.001 0.000 0.224 313 G C 0.602 175.212 174.900 -0.484 0.000 1.351 313 G CA 0.257 45.163 45.100 -0.323 0.000 0.905 313 G HN 1.571 nan 8.290 nan 0.000 0.561 314 G N -1.109 107.446 108.800 -0.408 0.000 2.601 314 G HA2 0.641 4.601 3.960 0.001 0.000 0.291 314 G HA3 0.641 4.601 3.960 0.001 0.000 0.291 314 G C -1.602 173.167 174.900 -0.219 0.000 1.456 314 G CA -0.290 44.621 45.100 -0.315 0.000 0.804 314 G HN 0.935 nan 8.290 nan 0.000 0.499 315 I N 1.153 121.631 120.570 -0.153 0.000 2.447 315 I HA 0.442 4.613 4.170 0.001 0.000 0.287 315 I C -0.413 175.621 176.117 -0.137 0.000 1.023 315 I CA -0.997 60.223 61.300 -0.133 0.000 1.083 315 I CB 2.076 40.017 38.000 -0.098 0.000 1.245 315 I HN 0.122 nan 8.210 nan 0.000 0.434 316 R N 4.888 125.268 120.500 -0.198 0.000 2.312 316 R HA 0.420 4.761 4.340 0.001 0.000 0.311 316 R C -0.461 175.572 176.300 -0.446 0.000 1.004 316 R CA -0.653 55.289 56.100 -0.264 0.000 0.902 316 R CB 1.425 31.576 30.300 -0.249 0.000 1.073 316 R HN 0.537 nan 8.270 nan 0.000 0.457 317 Q N 2.545 122.155 119.800 -0.316 0.000 2.293 317 Q HA 0.219 4.559 4.340 0.001 0.000 0.261 317 Q C -0.733 175.162 176.000 -0.176 0.000 0.960 317 Q CA -0.419 55.226 55.803 -0.264 0.000 0.882 317 Q CB 1.230 29.912 28.738 -0.094 0.000 1.275 317 Q HN 0.662 nan 8.270 nan 0.000 0.445 318 Y N 2.034 122.347 120.300 0.021 0.000 2.801 318 Y HA 0.318 4.868 4.550 0.001 0.000 0.340 318 Y C 1.237 177.152 175.900 0.025 0.000 1.088 318 Y CA -0.001 58.112 58.100 0.021 0.000 1.444 318 Y CB 0.392 38.865 38.460 0.021 0.000 1.251 318 Y HN 0.924 nan 8.280 nan 0.000 0.522 319 G N 1.175 110.066 108.800 0.151 0.000 2.760 319 G HA2 -0.223 3.737 3.960 0.001 0.000 0.246 319 G HA3 -0.223 3.737 3.960 0.001 0.000 0.246 319 G C -2.976 171.982 174.900 0.096 0.000 1.359 319 G CA -1.549 43.613 45.100 0.103 0.000 0.861 319 G HN 0.101 nan 8.290 nan 0.000 0.541 320 P HA 0.444 nan 4.420 nan 0.000 0.261 320 P C 0.051 177.409 177.300 0.097 0.000 1.183 320 P CA 1.240 64.387 63.100 0.079 0.000 0.761 320 P CB 0.829 32.559 31.700 0.049 0.000 0.785 321 A N 2.508 125.403 122.820 0.125 0.000 2.556 321 A HA 0.897 5.218 4.320 0.001 0.000 0.294 321 A C -1.355 176.340 177.584 0.186 0.000 1.091 321 A CA -0.388 51.731 52.037 0.137 0.000 0.704 321 A CB 1.880 20.959 19.000 0.133 0.000 1.300 321 A HN 0.549 nan 8.150 nan 0.000 0.406 322 A N 0.031 122.960 122.820 0.182 0.000 2.606 322 A HA 0.904 5.224 4.320 0.001 0.000 0.293 322 A C -0.373 177.339 177.584 0.214 0.000 1.082 322 A CA 0.187 52.369 52.037 0.241 0.000 0.685 322 A CB 1.178 20.331 19.000 0.255 0.000 1.284 322 A HN 2.384 nan 8.150 nan 0.000 0.408 323 S N -0.095 115.763 115.700 0.263 0.000 2.568 323 S HA 0.905 5.376 4.470 0.001 0.000 0.293 323 S C -0.561 174.200 174.600 0.268 0.000 1.089 323 S CA -0.025 58.329 58.200 0.257 0.000 0.945 323 S CB 1.872 65.254 63.200 0.303 0.000 1.077 323 S HN 2.394 nan 8.310 nan 0.000 0.485 324 A N 2.081 125.004 122.820 0.172 0.000 2.429 324 A HA 0.658 4.978 4.320 0.001 0.000 0.289 324 A C -0.068 177.521 177.584 0.008 0.000 1.043 324 A CA -0.554 51.537 52.037 0.090 0.000 0.722 324 A CB 0.891 19.942 19.000 0.085 0.000 1.243 324 A HN 1.984 nan 8.150 nan 0.000 0.415 325 V N 0.801 120.649 119.914 -0.110 0.000 3.096 325 V HA 0.567 4.688 4.120 0.001 0.000 0.306 325 V C 0.117 176.166 176.094 -0.074 0.000 1.088 325 V CA -0.135 62.097 62.300 -0.113 0.000 1.129 325 V CB 0.566 32.245 31.823 -0.239 0.000 1.014 325 V HN 0.596 nan 8.190 nan 0.000 0.486 326 I N 4.166 124.690 120.570 -0.076 0.000 2.337 326 I HA 0.371 4.542 4.170 0.001 0.000 0.285 326 I C -0.455 175.645 176.117 -0.029 0.000 1.041 326 I CA -0.116 61.145 61.300 -0.065 0.000 1.199 326 I CB 1.214 39.145 38.000 -0.114 0.000 1.370 326 I HN 0.529 nan 8.210 nan 0.000 0.470 327 L N 9.971 131.185 121.223 -0.015 0.000 2.495 327 L HA 0.551 4.892 4.340 0.001 0.000 0.248 327 L C -2.151 174.723 176.870 0.007 0.000 1.229 327 L CA -1.292 53.549 54.840 0.002 0.000 0.942 327 L CB 0.416 42.464 42.059 -0.019 0.000 1.242 327 L HN 0.272 nan 8.230 nan 0.000 0.484 328 P HA 0.226 nan 4.420 nan 0.000 0.279 328 P C -1.412 175.891 177.300 0.004 0.000 1.282 328 P CA -0.505 62.600 63.100 0.009 0.000 0.788 328 P CB 0.974 32.681 31.700 0.011 0.000 1.139 329 Q N 0.516 120.312 119.800 -0.006 0.000 2.374 329 Q HA 0.587 4.928 4.340 0.001 0.000 0.250 329 Q C -1.173 174.817 176.000 -0.016 0.000 0.918 329 Q CA -0.530 55.268 55.803 -0.008 0.000 0.778 329 Q CB 0.643 29.378 28.738 -0.005 0.000 1.328 329 Q HN 0.560 nan 8.270 nan 0.000 0.445 330 L N -0.618 120.593 121.223 -0.020 0.000 3.119 330 L HA 0.713 5.054 4.340 0.001 0.000 0.283 330 L C -1.467 175.387 176.870 -0.027 0.000 1.028 330 L CA -0.933 53.891 54.840 -0.027 0.000 0.975 330 L CB 2.070 44.106 42.059 -0.038 0.000 1.543 330 L HN 0.226 nan 8.230 nan 0.000 0.390 331 T N 0.983 115.519 114.554 -0.030 0.000 2.809 331 T HA 0.730 5.080 4.350 0.001 0.000 0.284 331 T C -0.767 173.913 174.700 -0.033 0.000 0.992 331 T CA -0.417 61.666 62.100 -0.028 0.000 0.957 331 T CB 1.215 70.069 68.868 -0.023 0.000 0.942 331 T HN 0.812 nan 8.240 nan 0.000 0.439 332 S N 2.342 118.021 115.700 -0.034 0.000 2.565 332 S HA 0.336 4.806 4.470 0.001 0.000 0.274 332 S C -1.072 173.512 174.600 -0.027 0.000 1.144 332 S CA -0.611 57.566 58.200 -0.038 0.000 0.849 332 S CB 1.671 64.835 63.200 -0.060 0.000 1.103 332 S HN 0.660 nan 8.310 nan 0.000 0.455 333 Q N 1.631 121.419 119.800 -0.021 0.000 2.135 333 Q HA 0.361 4.702 4.340 0.001 0.000 0.222 333 Q C -0.540 175.458 176.000 -0.003 0.000 0.808 333 Q CA -0.135 55.665 55.803 -0.004 0.000 1.049 333 Q CB 0.531 29.271 28.738 0.003 0.000 1.168 333 Q HN 0.450 nan 8.270 nan 0.000 0.483 334 N N 0.238 118.923 118.700 -0.025 0.000 2.639 334 N HA 0.093 4.834 4.740 0.001 0.000 0.265 334 N C -1.447 174.015 175.510 -0.080 0.000 1.689 334 N CA -0.001 53.031 53.050 -0.030 0.000 0.813 334 N CB 0.929 39.400 38.487 -0.026 0.000 1.353 334 N HN -0.148 nan 8.380 nan 0.000 0.510 335 V N 1.246 121.092 119.914 -0.114 0.000 2.655 335 V HA 0.334 4.454 4.120 0.001 0.000 0.300 335 V C 0.938 176.798 176.094 -0.391 0.000 1.044 335 V CA 0.166 62.296 62.300 -0.283 0.000 1.095 335 V CB 0.927 32.552 31.823 -0.330 0.000 0.952 335 V HN 0.587 nan 8.190 nan 0.000 0.485 336 T N 1.612 115.861 114.554 -0.508 0.000 2.916 336 T HA 0.774 5.125 4.350 0.001 0.000 0.292 336 T C -1.055 173.261 174.700 -0.639 0.000 1.055 336 T CA -0.607 61.253 62.100 -0.400 0.000 1.009 336 T CB 1.638 70.416 68.868 -0.149 0.000 1.118 336 T HN 0.189 nan 8.240 nan 0.000 0.497 337 F N 1.011 120.946 119.950 -0.025 0.000 2.496 337 F HA 0.528 5.055 4.527 -0.000 0.000 0.341 337 F C 0.092 175.875 175.800 -0.028 0.000 1.134 337 F CA -0.925 57.054 58.000 -0.034 0.000 0.968 337 F CB 1.631 40.603 39.000 -0.048 0.000 1.205 337 F HN 0.583 nan 8.300 nan 0.000 0.436 338 D N 0.996 121.449 120.400 0.090 0.000 2.385 338 D HA 0.260 4.900 4.640 0.001 0.000 0.254 338 D C 0.505 176.833 176.300 0.047 0.000 1.053 338 D CA -0.197 53.834 54.000 0.052 0.000 0.992 338 D CB 1.111 41.919 40.800 0.013 0.000 1.145 338 D HN 0.526 nan 8.370 nan 0.000 0.523 339 N N 0.247 118.965 118.700 0.030 0.000 2.782 339 N HA -0.194 4.547 4.740 0.001 0.000 0.251 339 N C 0.709 176.232 175.510 0.022 0.000 1.101 339 N CA 0.911 53.974 53.050 0.021 0.000 0.764 339 N CB -1.131 37.362 38.487 0.011 0.000 1.122 339 N HN 0.148 nan 8.380 nan 0.000 0.561 340 V N 0.760 120.691 119.914 0.029 0.000 2.469 340 V HA -0.314 3.806 4.120 0.001 0.000 0.251 340 V C 2.591 178.691 176.094 0.011 0.000 1.064 340 V CA 2.289 64.599 62.300 0.016 0.000 1.066 340 V CB -0.507 31.325 31.823 0.015 0.000 0.667 340 V HN 0.680 nan 8.190 nan 0.000 0.461 341 Q N 0.305 120.114 119.800 0.015 0.000 2.297 341 Q HA -0.220 4.120 4.340 0.001 0.000 0.208 341 Q C 1.179 177.192 176.000 0.021 0.000 0.981 341 Q CA 1.690 57.502 55.803 0.015 0.000 0.876 341 Q CB -0.648 28.099 28.738 0.015 0.000 0.921 341 Q HN 0.626 nan 8.270 nan 0.000 0.446 342 N N 0.116 118.831 118.700 0.025 0.000 2.268 342 N HA 0.231 4.972 4.740 0.001 0.000 0.204 342 N C 0.227 175.765 175.510 0.047 0.000 1.124 342 N CA 0.694 53.769 53.050 0.041 0.000 0.838 342 N CB 1.035 39.548 38.487 0.044 0.000 0.994 342 N HN 0.405 nan 8.380 nan 0.000 0.489 343 A N -0.098 122.738 122.820 0.027 0.000 2.508 343 A HA 0.265 4.586 4.320 0.001 0.000 0.250 343 A C 0.481 178.078 177.584 0.021 0.000 1.208 343 A CA -0.162 51.888 52.037 0.022 0.000 0.960 343 A CB 0.341 19.337 19.000 -0.007 0.000 1.099 343 A HN 0.024 nan 8.150 nan 0.000 0.542 344 V N -4.203 115.724 119.914 0.021 0.000 3.040 344 V HA 1.031 5.152 4.120 0.001 0.000 0.312 344 V C -0.034 176.071 176.094 0.019 0.000 1.115 344 V CA 0.042 62.352 62.300 0.015 0.000 0.998 344 V CB 1.286 33.111 31.823 0.003 0.000 1.042 344 V HN 1.232 nan 8.190 nan 0.000 0.433 345 G N 0.643 109.453 108.800 0.016 0.000 2.360 345 G HA2 0.665 4.625 3.960 0.001 0.000 0.276 345 G HA3 0.665 4.625 3.960 0.001 0.000 0.276 345 G C -0.329 174.576 174.900 0.009 0.000 1.256 345 G CA -0.140 44.967 45.100 0.012 0.000 0.890 345 G HN 1.947 nan 8.290 nan 0.000 0.486 346 A N -0.047 122.776 122.820 0.005 0.000 2.520 346 A HA 0.479 4.800 4.320 0.001 0.000 0.245 346 A C 0.781 178.369 177.584 0.007 0.000 1.072 346 A CA 1.270 53.309 52.037 0.002 0.000 0.761 346 A CB -0.346 18.653 19.000 -0.002 0.000 1.004 346 A HN 1.360 nan 8.150 nan 0.000 0.499 347 D N -1.430 118.973 120.400 0.006 0.000 2.811 347 D HA -0.178 4.463 4.640 0.001 0.000 0.231 347 D C -0.516 175.800 176.300 0.028 0.000 1.157 347 D CA 1.725 55.734 54.000 0.015 0.000 0.716 347 D CB -1.222 39.587 40.800 0.014 0.000 1.077 347 D HN 0.531 nan 8.370 nan 0.000 0.428 348 L N 0.177 121.416 121.223 0.026 0.000 2.543 348 L HA 0.351 4.691 4.340 0.001 0.000 0.265 348 L C -1.187 175.699 176.870 0.027 0.000 0.945 348 L CA -0.172 54.688 54.840 0.034 0.000 0.869 348 L CB 1.884 43.963 42.059 0.034 0.000 1.294 348 L HN -0.023 nan 8.230 nan 0.000 0.405 349 Q N 4.643 124.461 119.800 0.030 0.000 2.495 349 Q HA 0.813 5.154 4.340 0.001 0.000 0.287 349 Q C -1.303 174.700 176.000 0.005 0.000 1.078 349 Q CA -0.902 54.911 55.803 0.017 0.000 0.793 349 Q CB 3.182 31.935 28.738 0.026 0.000 1.459 349 Q HN 0.699 nan 8.270 nan 0.000 0.422 350 I N -2.728 117.828 120.570 -0.023 0.000 2.828 350 I HA 0.716 4.886 4.170 0.001 0.000 0.302 350 I C -1.210 174.852 176.117 -0.092 0.000 1.101 350 I CA -1.059 60.202 61.300 -0.064 0.000 1.031 350 I CB 2.088 40.027 38.000 -0.101 0.000 1.231 350 I HN 0.293 nan 8.210 nan 0.000 0.427 351 R N 4.795 125.210 120.500 -0.143 0.000 2.599 351 R HA 0.701 5.042 4.340 0.001 0.000 0.295 351 R C -1.527 174.502 176.300 -0.451 0.000 0.963 351 R CA -0.809 55.190 56.100 -0.168 0.000 0.883 351 R CB 2.104 32.411 30.300 0.012 0.000 1.171 351 R HN 0.717 nan 8.270 nan 0.000 0.450 352 L N 3.600 124.562 121.223 -0.436 0.000 2.349 352 L HA 0.395 4.736 4.340 0.001 0.000 0.278 352 L C 0.501 177.174 176.870 -0.328 0.000 0.996 352 L CA -0.548 53.909 54.840 -0.638 0.000 0.825 352 L CB 1.145 42.762 42.059 -0.736 0.000 1.243 352 L HN 0.490 nan 8.230 nan 0.000 0.412 353 F N 1.227 121.066 119.950 -0.185 0.000 2.407 353 F HA 0.101 4.630 4.527 0.002 0.000 0.299 353 F C 1.935 177.613 175.800 -0.202 0.000 1.097 353 F CA 0.468 58.376 58.000 -0.154 0.000 1.422 353 F CB -0.574 38.363 39.000 -0.104 0.000 1.067 353 F HN 0.772 nan 8.300 nan 0.000 0.539 354 G N 0.206 109.011 108.800 0.008 0.000 2.141 354 G HA2 -0.314 3.647 3.960 0.001 0.000 0.242 354 G HA3 -0.314 3.647 3.960 0.001 0.000 0.242 354 G C 0.344 175.274 174.900 0.050 0.000 0.982 354 G CA -0.219 44.850 45.100 -0.051 0.000 0.662 354 G HN 0.360 nan 8.290 nan 0.000 0.527 355 K N 0.812 121.297 120.400 0.141 0.000 2.484 355 K HA 0.229 4.549 4.320 0.001 0.000 0.280 355 K C -0.684 176.033 176.600 0.194 0.000 1.013 355 K CA -0.521 55.881 56.287 0.193 0.000 1.029 355 K CB 1.199 33.813 32.500 0.191 0.000 0.902 355 K HN 0.129 nan 8.250 nan 0.000 0.481 356 P HA -0.170 nan 4.420 nan 0.000 0.221 356 P C -0.508 176.851 177.300 0.099 0.000 1.150 356 P CA 1.335 64.539 63.100 0.174 0.000 0.800 356 P CB 0.242 32.063 31.700 0.202 0.000 0.787 357 E N -1.756 118.482 120.200 0.064 0.000 2.439 357 E HA 0.630 4.981 4.350 0.001 0.000 0.279 357 E C -1.479 175.118 176.600 -0.005 0.000 1.077 357 E CA -1.104 55.307 56.400 0.018 0.000 0.849 357 E CB 1.132 30.832 29.700 0.000 0.000 1.408 357 E HN -0.061 nan 8.360 nan 0.000 0.457 358 I N 0.302 120.862 120.570 -0.017 0.000 2.827 358 I HA 0.449 4.619 4.170 0.001 0.000 0.298 358 I C -2.034 174.066 176.117 -0.028 0.000 1.235 358 I CA -0.504 60.783 61.300 -0.022 0.000 1.021 358 I CB 2.359 40.355 38.000 -0.006 0.000 1.259 358 I HN 0.730 nan 8.210 nan 0.000 0.427 359 D N 4.982 125.364 120.400 -0.029 0.000 2.934 359 D HA 0.582 5.223 4.640 0.001 0.000 0.249 359 D C -0.303 175.985 176.300 -0.021 0.000 1.293 359 D CA 0.915 54.899 54.000 -0.026 0.000 0.812 359 D CB 0.705 41.487 40.800 -0.030 0.000 1.439 359 D HN 1.073 nan 8.370 nan 0.000 0.555 360 G N 0.520 109.310 108.800 -0.016 0.000 2.295 360 G HA2 0.095 4.055 3.960 0.001 0.000 0.195 360 G HA3 0.095 4.055 3.960 0.001 0.000 0.195 360 G C -0.930 173.967 174.900 -0.005 0.000 1.269 360 G CA -0.315 44.778 45.100 -0.010 0.000 1.170 360 G HN 0.495 nan 8.290 nan 0.000 0.511 361 S N 0.108 115.808 115.700 0.001 0.000 2.465 361 S HA 0.681 5.152 4.470 0.001 0.000 0.279 361 S C 0.148 174.756 174.600 0.014 0.000 1.201 361 S CA 0.168 58.373 58.200 0.008 0.000 1.053 361 S CB 0.474 63.681 63.200 0.011 0.000 0.953 361 S HN 0.814 nan 8.310 nan 0.000 0.488 362 R N 3.190 123.704 120.500 0.024 0.000 2.604 362 R HA 0.319 4.659 4.340 0.001 0.000 0.270 362 R C -1.105 175.236 176.300 0.069 0.000 1.052 362 R CA -0.794 55.331 56.100 0.041 0.000 0.902 362 R CB 1.205 31.525 30.300 0.033 0.000 1.233 362 R HN 0.667 nan 8.270 nan 0.000 0.455 363 R N 4.712 125.274 120.500 0.104 0.000 2.288 363 R HA 0.163 4.504 4.340 0.001 0.000 0.330 363 R C 0.350 176.793 176.300 0.238 0.000 1.069 363 R CA 0.070 56.264 56.100 0.157 0.000 0.941 363 R CB 0.414 30.838 30.300 0.205 0.000 0.998 363 R HN 0.620 nan 8.270 nan 0.000 0.452 364 L N 2.965 124.250 121.223 0.104 0.000 2.513 364 L HA 0.318 4.659 4.340 0.001 0.000 0.222 364 L C 1.075 177.613 176.870 -0.552 0.000 1.096 364 L CA 0.236 55.096 54.840 0.033 0.000 0.857 364 L CB 0.485 42.658 42.059 0.190 0.000 1.026 364 L HN 0.785 nan 8.230 nan 0.000 0.469 365 G N -0.822 107.477 108.800 -0.836 0.000 2.489 365 G HA2 0.455 4.415 3.960 0.001 0.000 0.305 365 G HA3 0.455 4.415 3.960 0.001 0.000 0.305 365 G C -2.126 172.380 174.900 -0.657 0.000 1.311 365 G CA -0.269 43.993 45.100 -1.397 0.000 0.813 365 G HN -0.291 nan 8.290 nan 0.000 0.480 366 V N -0.810 118.855 119.914 -0.414 0.000 3.012 366 V HA 0.827 4.948 4.120 0.001 0.000 0.307 366 V C -0.640 175.426 176.094 -0.046 0.000 1.166 366 V CA 0.025 62.287 62.300 -0.063 0.000 0.974 366 V CB 1.801 33.739 31.823 0.193 0.000 1.040 366 V HN 2.030 nan 8.190 nan 0.000 0.428 367 A N 6.292 129.117 122.820 0.007 0.000 2.324 367 A HA 0.941 5.261 4.320 0.001 0.000 0.330 367 A C -1.228 176.403 177.584 0.078 0.000 1.165 367 A CA -0.571 51.480 52.037 0.023 0.000 0.813 367 A CB 1.002 20.013 19.000 0.019 0.000 1.197 367 A HN 0.878 nan 8.150 nan 0.000 0.484 368 L N 1.376 122.645 121.223 0.076 0.000 2.386 368 L HA 0.817 5.157 4.340 0.001 0.000 0.271 368 L C 0.092 177.014 176.870 0.087 0.000 0.993 368 L CA -0.408 54.493 54.840 0.101 0.000 0.819 368 L CB 2.142 44.263 42.059 0.103 0.000 1.294 368 L HN 0.865 nan 8.230 nan 0.000 0.414 369 A N 1.163 124.042 122.820 0.099 0.000 2.587 369 A HA 0.923 5.243 4.320 0.001 0.000 0.293 369 A C -0.654 176.983 177.584 0.088 0.000 1.087 369 A CA -0.478 51.609 52.037 0.082 0.000 0.692 369 A CB 2.146 21.192 19.000 0.076 0.000 1.291 369 A HN 0.636 nan 8.150 nan 0.000 0.407 370 T N -1.541 113.055 114.554 0.069 0.000 2.916 370 T HA 0.974 5.324 4.350 0.001 0.000 0.292 370 T C -0.234 174.494 174.700 0.047 0.000 1.055 370 T CA 0.007 62.149 62.100 0.069 0.000 1.009 370 T CB 1.706 70.618 68.868 0.074 0.000 1.118 370 T HN 2.461 nan 8.240 nan 0.000 0.497 371 A N 0.776 123.622 122.820 0.043 0.000 2.493 371 A HA 0.690 5.011 4.320 0.001 0.000 0.300 371 A C 0.327 177.924 177.584 0.022 0.000 1.152 371 A CA -0.612 51.439 52.037 0.024 0.000 0.643 371 A CB 0.306 19.315 19.000 0.015 0.000 1.316 371 A HN 0.653 nan 8.150 nan 0.000 0.469 372 E N 0.203 120.409 120.200 0.010 0.000 2.299 372 E HA 0.060 4.411 4.350 0.001 0.000 0.193 372 E C 0.632 177.234 176.600 0.004 0.000 0.998 372 E CA 1.389 57.793 56.400 0.008 0.000 0.851 372 E CB 0.106 29.807 29.700 0.002 0.000 0.795 372 E HN 0.697 nan 8.360 nan 0.000 0.492 373 S N -1.417 114.281 115.700 -0.004 0.000 2.569 373 S HA 0.346 4.816 4.470 0.001 0.000 0.280 373 S C 0.964 175.550 174.600 -0.023 0.000 1.111 373 S CA -0.781 57.409 58.200 -0.016 0.000 0.887 373 S CB 2.036 65.217 63.200 -0.032 0.000 1.095 373 S HN -0.186 nan 8.310 nan 0.000 0.476 374 V N 2.062 121.953 119.914 -0.038 0.000 2.392 374 V HA -0.141 3.979 4.120 0.001 0.000 0.249 374 V C 2.431 178.445 176.094 -0.133 0.000 1.059 374 V CA 2.033 64.298 62.300 -0.058 0.000 1.051 374 V CB -0.737 31.038 31.823 -0.079 0.000 0.658 374 V HN 0.789 nan 8.190 nan 0.000 0.455 375 V N 0.171 119.992 119.914 -0.154 0.000 2.287 375 V HA -0.292 3.829 4.120 0.001 0.000 0.248 375 V C 2.276 178.311 176.094 -0.098 0.000 1.053 375 V CA 2.441 64.642 62.300 -0.165 0.000 1.027 375 V CB -0.615 31.127 31.823 -0.135 0.000 0.646 375 V HN 0.579 nan 8.190 nan 0.000 0.447 376 D N -0.077 120.286 120.400 -0.061 0.000 2.144 376 D HA -0.097 4.544 4.640 0.001 0.000 0.199 376 D C 2.163 178.455 176.300 -0.014 0.000 0.984 376 D CA 1.485 55.464 54.000 -0.035 0.000 0.834 376 D CB -0.327 40.458 40.800 -0.025 0.000 0.955 376 D HN 0.455 nan 8.370 nan 0.000 0.465 377 A N 0.590 123.408 122.820 -0.003 0.000 1.877 377 A HA -0.137 4.183 4.320 0.001 0.000 0.216 377 A C 2.352 179.966 177.584 0.051 0.000 1.186 377 A CA 0.908 52.967 52.037 0.036 0.000 0.620 377 A CB -0.735 18.303 19.000 0.064 0.000 0.822 377 A HN 0.189 nan 8.150 nan 0.000 0.443 378 I N -0.407 120.175 120.570 0.020 0.000 2.163 378 I HA -0.287 3.884 4.170 0.001 0.000 0.243 378 I C 2.583 178.723 176.117 0.039 0.000 1.085 378 I CA 1.950 63.271 61.300 0.035 0.000 1.347 378 I CB -0.295 37.650 38.000 -0.092 0.000 1.044 378 I HN 0.511 nan 8.210 nan 0.000 0.408 379 E N 1.415 121.620 120.200 0.008 0.000 2.077 379 E HA -0.268 4.083 4.350 0.001 0.000 0.193 379 E C 2.243 178.882 176.600 0.065 0.000 0.989 379 E CA 1.494 57.911 56.400 0.028 0.000 0.800 379 E CB -0.238 29.460 29.700 -0.004 0.000 0.746 379 E HN 0.234 nan 8.360 nan 0.000 0.452 380 R N -0.273 120.255 120.500 0.047 0.000 2.083 380 R HA -0.129 4.211 4.340 0.001 0.000 0.237 380 R C 2.229 178.590 176.300 0.101 0.000 1.137 380 R CA 1.575 57.711 56.100 0.061 0.000 0.951 380 R CB -0.474 29.848 30.300 0.036 0.000 0.851 380 R HN 0.291 nan 8.270 nan 0.000 0.434 381 A N 1.042 123.919 122.820 0.094 0.000 1.855 381 A HA -0.169 4.152 4.320 0.001 0.000 0.215 381 A C 2.006 179.646 177.584 0.093 0.000 1.191 381 A CA 1.589 53.685 52.037 0.099 0.000 0.613 381 A CB -0.393 18.679 19.000 0.121 0.000 0.829 381 A HN 0.318 nan 8.150 nan 0.000 0.442 382 K N -1.462 118.996 120.400 0.097 0.000 2.032 382 K HA -0.244 4.077 4.320 0.001 0.000 0.209 382 K C 2.101 178.740 176.600 0.066 0.000 1.048 382 K CA 1.941 58.274 56.287 0.077 0.000 0.927 382 K CB -0.391 32.155 32.500 0.076 0.000 0.712 382 K HN 0.750 nan 8.250 nan 0.000 0.441 383 H N 0.278 119.358 119.070 0.016 0.000 2.319 383 H HA -0.109 4.447 4.556 0.001 0.000 0.299 383 H C 1.806 177.140 175.328 0.009 0.000 1.092 383 H CA 1.964 58.018 56.048 0.011 0.000 1.302 383 H CB -0.061 29.705 29.762 0.007 0.000 1.373 383 H HN 0.265 nan 8.280 nan 0.000 0.497 384 A N 0.873 123.754 122.820 0.102 0.000 1.877 384 A HA -0.127 4.194 4.320 0.001 0.000 0.216 384 A C 2.637 180.202 177.584 -0.031 0.000 1.186 384 A CA 1.870 53.933 52.037 0.043 0.000 0.620 384 A CB -1.483 17.557 19.000 0.067 0.000 0.822 384 A HN 0.632 nan 8.150 nan 0.000 0.443 385 A N -0.592 122.215 122.820 -0.021 0.000 1.908 385 A HA 0.065 4.385 4.320 0.001 0.000 0.218 385 A C 2.374 179.923 177.584 -0.058 0.000 1.181 385 A CA 2.003 54.018 52.037 -0.037 0.000 0.627 385 A CB -1.377 17.610 19.000 -0.022 0.000 0.818 385 A HN 0.839 nan 8.150 nan 0.000 0.445 386 G N -1.694 107.051 108.800 -0.093 0.000 2.509 386 G HA2 -0.096 3.865 3.960 0.001 0.000 0.218 386 G HA3 -0.096 3.865 3.960 0.001 0.000 0.218 386 G C 1.451 176.261 174.900 -0.150 0.000 1.124 386 G CA 0.695 45.722 45.100 -0.122 0.000 0.776 386 G HN 0.484 nan 8.290 nan 0.000 0.547 387 Q N -0.029 119.668 119.800 -0.171 0.000 2.331 387 Q HA 0.091 4.432 4.340 0.001 0.000 0.203 387 Q C 1.017 176.986 176.000 -0.051 0.000 0.944 387 Q CA 0.070 55.795 55.803 -0.131 0.000 0.892 387 Q CB 0.096 28.762 28.738 -0.121 0.000 0.983 387 Q HN 0.317 nan 8.270 nan 0.000 0.482 388 V N 2.887 122.784 119.914 -0.029 0.000 2.529 388 V HA -0.032 4.088 4.120 0.001 0.000 0.292 388 V C 0.447 176.561 176.094 0.033 0.000 1.028 388 V CA 0.435 62.748 62.300 0.023 0.000 1.074 388 V CB 0.245 32.093 31.823 0.043 0.000 0.958 388 V HN 0.054 nan 8.190 nan 0.000 0.481 389 K N 4.243 124.667 120.400 0.041 0.000 2.264 389 K HA 0.455 4.776 4.320 0.001 0.000 0.277 389 K C -0.856 175.742 176.600 -0.003 0.000 1.067 389 K CA -0.518 55.775 56.287 0.009 0.000 0.900 389 K CB 1.590 34.087 32.500 -0.006 0.000 1.124 389 K HN 0.482 nan 8.250 nan 0.000 0.469 390 V N 4.739 124.635 119.914 -0.029 0.000 2.389 390 V HA 0.077 4.198 4.120 0.001 0.000 0.264 390 V C 0.055 176.050 176.094 -0.166 0.000 1.049 390 V CA -0.431 61.790 62.300 -0.132 0.000 0.932 390 V CB 0.535 32.316 31.823 -0.069 0.000 1.011 390 V HN 0.701 nan 8.190 nan 0.000 0.475 391 Q N 2.744 122.402 119.800 -0.237 0.000 2.266 391 Q HA 0.682 5.022 4.340 0.001 0.000 0.261 391 Q C 0.400 176.286 176.000 -0.191 0.000 0.985 391 Q CA -0.478 55.222 55.803 -0.171 0.000 0.873 391 Q CB 2.410 31.066 28.738 -0.136 0.000 1.306 391 Q HN 0.821 nan 8.270 nan 0.000 0.447 392 G N 0.000 108.725 108.800 -0.125 0.000 5.446 392 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 392 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 392 G CA 0.000 45.037 45.100 -0.105 0.000 0.502 392 G HN 0.000 nan 8.290 nan 0.000 0.925