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 1wkv_1_B DATA FIRST_RESID 2 DATA SEQUENCE ALADISGYLD VLDSVRGFSY LENAREVLRS GEARcLGNPR SEPEYVKALY DATA SEQUENCE VIGASRIPVG DGcSHTLEEL GVFDISVPGE MVFPSPLDFF ERGKPTPLVR DATA SEQUENCE SRLQLPNGVR VWLKLEWYNP FSLSVKDRPA VEIISRLSRR VEKGSLVADA DATA SEQUENCE TSSNFGVALS AVARLYGYRA RVYLPGAAEE FGKLLPRLLG AQVIVDPEAP DATA SEQUENCE STVHLLPRVM KDSKNEGFVH VNQFYNDANF EAHMRGTARE IFVQSRRGGL DATA SEQUENCE ALRGVAGSLG TSGHMSAAAF YLQSVDPSIR AVLVQPAQGD SIPGIRRVET DATA SEQUENCE GMLWINMLDI SYTLAEVTLE EAMEAVVEVA RSDGLVIGPS GGAAVKALAK DATA SEQUENCE KAAEGDLEPG DYVVVVPDTG FKYLSLVQNA LEG 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.528 177.584 -0.093 0.000 1.274 2 A CA 0.000 52.101 52.037 0.107 0.000 0.836 2 A CB 0.000 19.043 19.000 0.072 0.000 0.831 3 L N 0.352 121.470 121.223 -0.175 0.000 2.334 3 L HA 0.853 5.193 4.340 0.000 0.000 0.273 3 L C 0.394 177.243 176.870 -0.034 0.000 1.013 3 L CA -0.575 54.169 54.840 -0.159 0.000 0.816 3 L CB 1.996 43.929 42.059 -0.210 0.000 1.278 3 L HN 1.084 nan 8.230 nan 0.000 0.431 4 A N 0.828 123.651 122.820 0.005 0.000 2.386 4 A HA 0.582 4.902 4.320 0.000 0.000 0.311 4 A C -1.224 176.423 177.584 0.105 0.000 1.068 4 A CA -0.736 51.352 52.037 0.086 0.000 0.743 4 A CB 1.032 20.141 19.000 0.182 0.000 1.258 4 A HN 0.652 nan 8.150 nan 0.000 0.429 5 D N 1.448 121.926 120.400 0.129 0.000 2.531 5 D HA -0.015 4.625 4.640 0.000 0.000 0.239 5 D C 1.167 177.602 176.300 0.226 0.000 1.144 5 D CA 0.365 54.447 54.000 0.136 0.000 0.869 5 D CB 0.720 41.586 40.800 0.108 0.000 1.160 5 D HN 0.483 nan 8.370 nan 0.000 0.484 6 I N 2.101 122.783 120.570 0.187 0.000 2.614 6 I HA -0.282 3.888 4.170 0.000 0.000 0.258 6 I C 2.083 178.354 176.117 0.256 0.000 1.189 6 I CA 0.752 62.197 61.300 0.240 0.000 1.462 6 I CB 0.111 38.215 38.000 0.173 0.000 1.092 6 I HN 0.369 nan 8.210 nan 0.000 0.442 7 S N 0.441 116.246 115.700 0.175 0.000 2.387 7 S HA -0.192 4.278 4.470 0.000 0.000 0.230 7 S C 2.042 176.682 174.600 0.067 0.000 1.035 7 S CA 1.289 59.556 58.200 0.112 0.000 1.014 7 S CB -1.453 61.800 63.200 0.088 0.000 0.836 7 S HN 0.525 nan 8.310 nan 0.000 0.466 8 G N -1.101 107.729 108.800 0.049 0.000 2.776 8 G HA2 0.128 4.088 3.960 0.000 0.000 0.209 8 G HA3 0.128 4.088 3.960 0.000 0.000 0.209 8 G C 0.484 175.173 174.900 -0.353 0.000 1.145 8 G CA 0.247 45.257 45.100 -0.150 0.000 0.791 8 G HN 0.673 nan 8.290 nan 0.000 0.530 9 Y N -0.943 119.361 120.300 0.007 0.000 2.588 9 Y HA 0.373 4.923 4.550 -0.000 0.000 0.247 9 Y C 1.867 177.745 175.900 -0.035 0.000 1.157 9 Y CA -0.501 57.599 58.100 -0.001 0.000 1.215 9 Y CB 0.500 38.972 38.460 0.021 0.000 1.245 9 Y HN 0.042 nan 8.280 nan 0.000 0.534 10 L N 0.160 121.411 121.223 0.046 0.000 2.610 10 L HA -0.058 4.282 4.340 0.000 0.000 0.232 10 L C 0.803 177.617 176.870 -0.093 0.000 1.149 10 L CA 0.523 55.321 54.840 -0.069 0.000 0.872 10 L CB -0.065 41.924 42.059 -0.117 0.000 0.992 10 L HN 0.174 nan 8.230 nan 0.000 0.447 11 D N -0.014 120.356 120.400 -0.049 0.000 2.309 11 D HA -0.142 4.498 4.640 0.000 0.000 0.212 11 D C 2.298 178.568 176.300 -0.049 0.000 0.968 11 D CA 1.182 55.153 54.000 -0.048 0.000 0.882 11 D CB -0.089 40.691 40.800 -0.032 0.000 0.918 11 D HN 0.329 nan 8.370 nan 0.000 0.503 12 V N -1.036 118.855 119.914 -0.039 0.000 2.469 12 V HA -0.238 3.882 4.120 0.000 0.000 0.251 12 V C 2.230 178.263 176.094 -0.102 0.000 1.064 12 V CA 1.203 63.475 62.300 -0.046 0.000 1.066 12 V CB -0.978 30.834 31.823 -0.019 0.000 0.667 12 V HN 0.169 nan 8.190 nan 0.000 0.461 13 L N 0.238 121.367 121.223 -0.156 0.000 2.127 13 L HA -0.139 4.201 4.340 0.000 0.000 0.211 13 L C 2.559 179.360 176.870 -0.115 0.000 1.089 13 L CA 1.917 56.648 54.840 -0.182 0.000 0.757 13 L CB -0.909 40.986 42.059 -0.272 0.000 0.899 13 L HN 0.356 nan 8.230 nan 0.000 0.434 14 D N -0.467 119.881 120.400 -0.087 0.000 2.149 14 D HA -0.111 4.529 4.640 0.000 0.000 0.201 14 D C 2.296 178.568 176.300 -0.047 0.000 0.972 14 D CA 1.749 55.715 54.000 -0.057 0.000 0.835 14 D CB 0.114 40.889 40.800 -0.042 0.000 0.966 14 D HN 0.396 nan 8.370 nan 0.000 0.476 15 S N -0.562 115.110 115.700 -0.047 0.000 2.514 15 S HA 0.096 4.567 4.470 0.000 0.000 0.223 15 S C 0.956 175.534 174.600 -0.038 0.000 1.046 15 S CA -0.375 57.805 58.200 -0.034 0.000 0.914 15 S CB 0.156 63.344 63.200 -0.020 0.000 0.807 15 S HN -0.093 nan 8.310 nan 0.000 0.497 16 V N 3.399 123.279 119.914 -0.058 0.000 2.572 16 V HA 0.376 4.496 4.120 0.000 0.000 0.291 16 V C 0.304 176.355 176.094 -0.072 0.000 1.039 16 V CA -0.084 62.178 62.300 -0.064 0.000 1.055 16 V CB 0.494 32.251 31.823 -0.110 0.000 0.969 16 V HN 0.421 nan 8.190 nan 0.000 0.482 17 R N 2.457 122.931 120.500 -0.045 0.000 2.912 17 R HA 0.802 5.142 4.340 0.000 0.000 0.262 17 R C 0.266 176.541 176.300 -0.041 0.000 1.057 17 R CA -0.157 55.908 56.100 -0.059 0.000 0.981 17 R CB 1.851 32.117 30.300 -0.057 0.000 1.201 17 R HN 1.076 nan 8.270 nan 0.000 0.484 18 G N 0.120 108.837 108.800 -0.140 0.000 2.796 18 G HA2 -0.251 3.709 3.960 0.000 0.000 0.571 18 G HA3 -0.251 3.709 3.960 0.000 0.000 0.571 18 G C -0.516 174.339 174.900 -0.074 0.000 1.370 18 G CA -0.536 44.443 45.100 -0.201 0.000 0.856 18 G HN 0.429 nan 8.290 nan 0.000 0.538 19 F N 1.138 121.143 119.950 0.093 0.000 2.653 19 F HA 0.249 4.776 4.527 -0.000 0.000 0.304 19 F C 2.555 178.299 175.800 -0.093 0.000 1.092 19 F CA 0.699 58.692 58.000 -0.011 0.000 1.279 19 F CB 0.389 39.315 39.000 -0.122 0.000 1.044 19 F HN 0.630 nan 8.300 nan 0.000 0.564 20 S N -0.194 115.616 115.700 0.183 0.000 2.423 20 S HA -0.270 4.200 4.470 0.000 0.000 0.231 20 S C 2.087 176.745 174.600 0.096 0.000 1.014 20 S CA 1.252 59.521 58.200 0.116 0.000 0.965 20 S CB -1.278 61.990 63.200 0.115 0.000 0.785 20 S HN 0.580 nan 8.310 nan 0.000 0.495 21 Y N 1.799 122.163 120.300 0.108 0.000 2.333 21 Y HA 0.167 4.717 4.550 -0.000 0.000 0.290 21 Y C 1.799 177.757 175.900 0.096 0.000 1.144 21 Y CA 0.478 58.637 58.100 0.098 0.000 1.228 21 Y CB -0.814 37.700 38.460 0.091 0.000 0.985 21 Y HN 0.187 nan 8.280 nan 0.000 0.542 22 L N 0.707 121.426 121.223 -0.840 0.000 2.265 22 L HA -0.157 4.183 4.340 0.000 0.000 0.215 22 L C 2.325 179.161 176.870 -0.057 0.000 1.117 22 L CA 1.399 55.912 54.840 -0.546 0.000 0.782 22 L CB -0.567 41.091 42.059 -0.669 0.000 0.914 22 L HN 0.348 nan 8.230 nan 0.000 0.441 23 E N 0.322 120.511 120.200 -0.019 0.000 2.118 23 E HA -0.226 4.124 4.350 0.000 0.000 0.195 23 E C 1.763 178.389 176.600 0.043 0.000 0.992 23 E CA 1.575 58.003 56.400 0.047 0.000 0.804 23 E CB -0.207 29.526 29.700 0.054 0.000 0.741 23 E HN 0.665 nan 8.360 nan 0.000 0.458 24 N N 0.620 119.348 118.700 0.047 0.000 2.171 24 N HA -0.093 4.647 4.740 0.000 0.000 0.184 24 N C 1.916 177.384 175.510 -0.069 0.000 1.021 24 N CA 0.785 53.853 53.050 0.030 0.000 0.854 24 N CB -0.088 38.428 38.487 0.048 0.000 0.994 24 N HN 0.070 nan 8.380 nan 0.000 0.426 25 A N 1.734 124.524 122.820 -0.049 0.000 1.883 25 A HA -0.194 4.126 4.320 0.000 0.000 0.217 25 A C 2.127 179.646 177.584 -0.107 0.000 1.186 25 A CA 1.478 53.471 52.037 -0.073 0.000 0.624 25 A CB -0.608 18.397 19.000 0.007 0.000 0.822 25 A HN 0.243 nan 8.150 nan 0.000 0.444 26 R N -0.404 120.073 120.500 -0.039 0.000 2.081 26 R HA -0.187 4.153 4.340 0.000 0.000 0.235 26 R C 2.099 178.307 176.300 -0.152 0.000 1.131 26 R CA 1.932 57.933 56.100 -0.165 0.000 0.960 26 R CB -0.258 29.940 30.300 -0.169 0.000 0.856 26 R HN 0.483 nan 8.270 nan 0.000 0.436 27 E N -0.055 120.097 120.200 -0.079 0.000 2.106 27 E HA -0.096 4.254 4.350 0.000 0.000 0.192 27 E C 1.801 178.368 176.600 -0.054 0.000 0.984 27 E CA 1.351 57.722 56.400 -0.049 0.000 0.806 27 E CB -0.092 29.613 29.700 0.008 0.000 0.750 27 E HN 0.211 nan 8.360 nan 0.000 0.458 28 V N 0.476 120.345 119.914 -0.074 0.000 2.343 28 V HA -0.206 3.914 4.120 0.000 0.000 0.247 28 V C 2.191 178.223 176.094 -0.103 0.000 1.051 28 V CA 1.281 63.537 62.300 -0.073 0.000 1.036 28 V CB -0.425 31.323 31.823 -0.125 0.000 0.654 28 V HN 0.290 nan 8.190 nan 0.000 0.451 29 L N -0.314 120.794 121.223 -0.193 0.000 2.109 29 L HA -0.053 4.287 4.340 0.000 0.000 0.207 29 L C 2.473 179.230 176.870 -0.187 0.000 1.086 29 L CA 1.717 56.393 54.840 -0.274 0.000 0.760 29 L CB -1.191 40.578 42.059 -0.483 0.000 0.910 29 L HN 0.276 nan 8.230 nan 0.000 0.437 30 R N -0.540 119.868 120.500 -0.153 0.000 2.062 30 R HA -0.127 4.213 4.340 0.000 0.000 0.231 30 R C 2.379 178.650 176.300 -0.049 0.000 1.136 30 R CA 1.713 57.751 56.100 -0.104 0.000 0.948 30 R CB -0.085 30.156 30.300 -0.100 0.000 0.845 30 R HN 0.493 nan 8.270 nan 0.000 0.430 31 S N -0.996 114.683 115.700 -0.034 0.000 2.453 31 S HA 0.036 4.506 4.470 0.000 0.000 0.231 31 S C 1.388 175.997 174.600 0.015 0.000 1.005 31 S CA 0.802 58.999 58.200 -0.005 0.000 0.949 31 S CB 0.015 63.218 63.200 0.005 0.000 0.774 31 S HN 0.639 nan 8.310 nan 0.000 0.510 32 G N 1.428 110.239 108.800 0.018 0.000 2.179 32 G HA2 -0.263 3.697 3.960 0.000 0.000 0.257 32 G HA3 -0.263 3.697 3.960 0.000 0.000 0.257 32 G C -0.239 174.705 174.900 0.074 0.000 1.010 32 G CA 0.524 45.664 45.100 0.067 0.000 0.736 32 G HN 1.081 nan 8.290 nan 0.000 0.513 33 E N -1.583 118.650 120.200 0.055 0.000 2.372 33 E HA 0.762 5.113 4.350 0.000 0.000 0.279 33 E C -0.525 176.123 176.600 0.079 0.000 0.946 33 E CA -0.668 55.773 56.400 0.068 0.000 0.769 33 E CB 1.349 31.076 29.700 0.046 0.000 1.230 33 E HN 1.237 nan 8.360 nan 0.000 0.442 34 A N 2.042 124.932 122.820 0.117 0.000 2.350 34 A HA 0.740 5.060 4.320 0.000 0.000 0.324 34 A C -0.658 177.040 177.584 0.191 0.000 1.118 34 A CA -1.016 51.137 52.037 0.194 0.000 0.783 34 A CB 0.849 19.961 19.000 0.188 0.000 1.236 34 A HN 0.671 nan 8.150 nan 0.000 0.457 35 R N 0.799 121.420 120.500 0.201 0.000 2.457 35 R HA 0.583 4.923 4.340 0.000 0.000 0.284 35 R C -0.602 175.719 176.300 0.036 0.000 1.024 35 R CA -0.363 55.776 56.100 0.065 0.000 1.025 35 R CB -0.078 30.221 30.300 -0.000 0.000 1.063 35 R HN 0.461 nan 8.270 nan 0.000 0.493 36 c N 3.055 121.666 118.600 0.019 0.000 2.634 36 c HA 0.131 4.701 4.570 0.000 0.000 0.417 36 c C 0.413 174.472 174.090 -0.051 0.000 1.334 36 c CA -0.263 56.084 56.329 0.029 0.000 1.829 36 c CB -0.925 41.608 42.510 0.038 0.000 2.665 36 c HN 0.594 nan 8.230 nan 0.000 0.614 37 L N 3.307 124.501 121.223 -0.049 0.000 2.295 37 L HA 0.427 4.767 4.340 0.000 0.000 0.285 37 L C 1.457 178.307 176.870 -0.033 0.000 1.035 37 L CA -0.069 54.719 54.840 -0.086 0.000 0.806 37 L CB 0.918 42.923 42.059 -0.090 0.000 1.214 37 L HN 0.942 nan 8.230 nan 0.000 0.426 38 G N 1.780 110.561 108.800 -0.032 0.000 2.505 38 G HA2 -0.203 3.757 3.960 0.000 0.000 0.214 38 G HA3 -0.203 3.757 3.960 0.000 0.000 0.214 38 G C 0.558 175.466 174.900 0.012 0.000 1.237 38 G CA 0.363 45.460 45.100 -0.006 0.000 0.802 38 G HN 0.579 nan 8.290 nan 0.000 0.549 39 N N 0.749 119.456 118.700 0.011 0.000 2.621 39 N HA 0.368 5.108 4.740 0.000 0.000 0.237 39 N C -1.836 173.697 175.510 0.038 0.000 0.997 39 N CA -2.355 50.718 53.050 0.037 0.000 0.918 39 N CB 2.040 40.549 38.487 0.037 0.000 1.122 39 N HN -0.135 nan 8.380 nan 0.000 0.510 40 P HA -0.074 nan 4.420 nan 0.000 0.218 40 P C 1.036 178.399 177.300 0.106 0.000 1.148 40 P CA 0.962 64.076 63.100 0.024 0.000 0.822 40 P CB 0.435 32.062 31.700 -0.121 0.000 0.784 41 R N -0.063 120.540 120.500 0.172 0.000 2.193 41 R HA -0.048 4.292 4.340 0.000 0.000 0.229 41 R C 2.041 178.395 176.300 0.089 0.000 1.110 41 R CA 1.626 57.818 56.100 0.153 0.000 0.988 41 R CB -0.925 29.450 30.300 0.125 0.000 0.871 41 R HN 0.278 nan 8.270 nan 0.000 0.458 42 S N -0.033 115.706 115.700 0.065 0.000 2.593 42 S HA 0.083 4.553 4.470 0.000 0.000 0.217 42 S C 0.036 174.661 174.600 0.042 0.000 0.966 42 S CA 0.022 58.249 58.200 0.044 0.000 0.914 42 S CB 0.244 63.462 63.200 0.029 0.000 0.776 42 S HN 0.193 nan 8.310 nan 0.000 0.523 43 E N 1.846 122.077 120.200 0.053 0.000 3.786 43 E HA 0.176 4.526 4.350 0.000 0.000 0.215 43 E C -2.220 174.446 176.600 0.110 0.000 1.188 43 E CA -1.527 54.913 56.400 0.066 0.000 1.248 43 E CB 0.894 30.607 29.700 0.021 0.000 1.260 43 E HN 0.342 nan 8.360 nan 0.000 0.426 44 P HA -0.147 nan 4.420 nan 0.000 0.218 44 P C 1.065 178.420 177.300 0.090 0.000 1.149 44 P CA 1.061 64.211 63.100 0.084 0.000 0.817 44 P CB 0.492 32.224 31.700 0.054 0.000 0.785 45 E N -1.169 119.104 120.200 0.121 0.000 2.110 45 E HA -0.197 4.153 4.350 0.000 0.000 0.193 45 E C 2.118 178.853 176.600 0.224 0.000 0.988 45 E CA 0.885 57.385 56.400 0.166 0.000 0.804 45 E CB -0.534 29.289 29.700 0.205 0.000 0.745 45 E HN 0.279 nan 8.360 nan 0.000 0.458 46 Y N 0.952 121.305 120.300 0.089 0.000 2.242 46 Y HA -0.202 4.348 4.550 0.000 0.000 0.291 46 Y C 2.157 178.097 175.900 0.066 0.000 1.137 46 Y CA 0.904 59.053 58.100 0.081 0.000 1.181 46 Y CB 0.026 38.513 38.460 0.046 0.000 0.989 46 Y HN -0.176 nan 8.280 nan 0.000 0.527 47 V N 0.449 120.468 119.914 0.176 0.000 2.343 47 V HA -0.317 3.803 4.120 0.000 0.000 0.247 47 V C 2.343 178.473 176.094 0.060 0.000 1.051 47 V CA 2.294 64.641 62.300 0.079 0.000 1.036 47 V CB -0.661 31.200 31.823 0.062 0.000 0.654 47 V HN 0.296 nan 8.190 nan 0.000 0.451 48 K N 0.417 120.839 120.400 0.037 0.000 2.057 48 K HA -0.180 4.140 4.320 0.000 0.000 0.207 48 K C 2.238 178.899 176.600 0.101 0.000 1.049 48 K CA 1.508 57.787 56.287 -0.013 0.000 0.931 48 K CB -0.405 31.944 32.500 -0.251 0.000 0.714 48 K HN 0.399 nan 8.250 nan 0.000 0.440 49 A N 1.455 124.384 122.820 0.181 0.000 1.903 49 A HA -0.202 4.118 4.320 0.000 0.000 0.219 49 A C 2.130 179.738 177.584 0.039 0.000 1.191 49 A CA 1.781 53.941 52.037 0.205 0.000 0.638 49 A CB -0.786 18.229 19.000 0.026 0.000 0.823 49 A HN 0.359 nan 8.150 nan 0.000 0.451 50 L N -2.409 118.789 121.223 -0.041 0.000 2.093 50 L HA -0.167 4.173 4.340 0.000 0.000 0.208 50 L C 2.603 179.507 176.870 0.056 0.000 1.085 50 L CA 1.690 56.509 54.840 -0.035 0.000 0.755 50 L CB -0.663 41.368 42.059 -0.048 0.000 0.904 50 L HN 0.619 nan 8.230 nan 0.000 0.435 51 Y N 0.305 120.599 120.300 -0.010 0.000 2.181 51 Y HA -0.214 4.336 4.550 -0.000 0.000 0.288 51 Y C 2.344 178.254 175.900 0.018 0.000 1.146 51 Y CA 1.541 59.645 58.100 0.008 0.000 1.164 51 Y CB -0.244 38.217 38.460 0.002 0.000 0.982 51 Y HN -0.162 nan 8.280 nan 0.000 0.515 52 V N 1.817 121.762 119.914 0.051 0.000 2.515 52 V HA -0.263 3.857 4.120 0.000 0.000 0.250 52 V C 2.309 178.372 176.094 -0.051 0.000 1.058 52 V CA 1.897 64.189 62.300 -0.014 0.000 1.064 52 V CB -0.789 31.170 31.823 0.227 0.000 0.675 52 V HN 0.678 nan 8.190 nan 0.000 0.461 53 I N -1.765 118.782 120.570 -0.037 0.000 3.251 53 I HA 0.382 4.552 4.170 0.000 0.000 0.277 53 I C 1.369 177.533 176.117 0.078 0.000 1.268 53 I CA 1.064 62.356 61.300 -0.014 0.000 1.449 53 I CB -0.077 37.785 38.000 -0.230 0.000 1.083 53 I HN 0.328 nan 8.210 nan 0.000 0.464 54 G N 1.414 110.184 108.800 -0.049 0.000 2.143 54 G HA2 -0.084 3.876 3.960 0.000 0.000 0.175 54 G HA3 -0.084 3.876 3.960 0.000 0.000 0.175 54 G C 0.305 175.184 174.900 -0.035 0.000 1.004 54 G CA -0.178 44.874 45.100 -0.080 0.000 0.671 54 G HN 0.841 nan 8.290 nan 0.000 0.512 55 A N 0.462 123.279 122.820 -0.005 0.000 2.425 55 A HA 0.706 5.026 4.320 0.000 0.000 0.249 55 A C 1.509 179.125 177.584 0.053 0.000 1.084 55 A CA 1.101 53.159 52.037 0.035 0.000 0.781 55 A CB 0.518 19.542 19.000 0.040 0.000 1.019 55 A HN 1.619 nan 8.150 nan 0.000 0.490 56 S N 1.428 117.164 115.700 0.061 0.000 2.524 56 S HA 0.265 4.735 4.470 0.000 0.000 0.215 56 S C 0.622 175.270 174.600 0.080 0.000 0.986 56 S CA -0.233 58.014 58.200 0.078 0.000 0.911 56 S CB 0.121 63.360 63.200 0.064 0.000 0.805 56 S HN 0.713 nan 8.310 nan 0.000 0.501 57 R N 0.705 121.241 120.500 0.060 0.000 2.771 57 R HA 0.699 5.039 4.340 0.000 0.000 0.274 57 R C -1.020 175.291 176.300 0.020 0.000 0.987 57 R CA -0.848 55.275 56.100 0.039 0.000 0.908 57 R CB 1.866 32.172 30.300 0.010 0.000 1.213 57 R HN 0.401 nan 8.270 nan 0.000 0.468 58 I N -1.110 119.450 120.570 -0.017 0.000 2.693 58 I HA 0.643 4.813 4.170 0.000 0.000 0.303 58 I C -2.546 173.564 176.117 -0.012 0.000 1.025 58 I CA -2.924 58.358 61.300 -0.032 0.000 1.086 58 I CB 2.369 40.277 38.000 -0.154 0.000 1.268 58 I HN 0.341 nan 8.210 nan 0.000 0.440 59 P HA 0.266 nan 4.420 nan 0.000 0.287 59 P C -0.904 176.451 177.300 0.091 0.000 1.281 59 P CA -0.218 62.977 63.100 0.159 0.000 0.781 59 P CB 1.706 33.588 31.700 0.303 0.000 0.903 60 V N 3.153 123.118 119.914 0.086 0.000 2.588 60 V HA 0.894 5.014 4.120 0.000 0.000 0.304 60 V C 0.539 176.680 176.094 0.078 0.000 1.042 60 V CA -0.050 62.283 62.300 0.054 0.000 0.877 60 V CB 1.358 33.207 31.823 0.042 0.000 0.996 60 V HN 1.042 nan 8.190 nan 0.000 0.425 61 G N 3.212 112.042 108.800 0.050 0.000 2.369 61 G HA2 0.218 4.178 3.960 0.000 0.000 0.295 61 G HA3 0.218 4.178 3.960 0.000 0.000 0.295 61 G C -2.173 172.737 174.900 0.017 0.000 1.298 61 G CA -0.761 44.365 45.100 0.043 0.000 0.940 61 G HN 0.507 nan 8.290 nan 0.000 0.536 62 D N 0.601 121.007 120.400 0.011 0.000 2.462 62 D HA 0.538 5.178 4.640 0.000 0.000 0.245 62 D C 0.988 177.282 176.300 -0.009 0.000 1.122 62 D CA 1.007 55.005 54.000 -0.004 0.000 0.864 62 D CB 1.005 41.803 40.800 -0.002 0.000 1.098 62 D HN 1.810 nan 8.370 nan 0.000 0.541 63 G N 1.722 110.509 108.800 -0.020 0.000 2.238 63 G HA2 -0.272 3.688 3.960 0.000 0.000 0.217 63 G HA3 -0.272 3.688 3.960 0.000 0.000 0.217 63 G C 0.761 175.636 174.900 -0.042 0.000 0.996 63 G CA 0.142 45.226 45.100 -0.027 0.000 0.632 63 G HN 0.671 nan 8.290 nan 0.000 0.503 64 c N 0.825 119.395 118.600 -0.048 0.000 2.411 64 c HA 0.983 5.553 4.570 0.000 0.000 0.358 64 c C 0.766 174.762 174.090 -0.156 0.000 1.349 64 c CA -0.015 56.250 56.329 -0.108 0.000 2.326 64 c CB 1.091 43.543 42.510 -0.097 0.000 2.166 64 c HN 1.935 nan 8.230 nan 0.000 0.609 65 S N -1.010 114.492 115.700 -0.330 0.000 2.565 65 S HA 0.665 5.135 4.470 0.000 0.000 0.269 65 S C -1.664 172.595 174.600 -0.569 0.000 1.153 65 S CA -0.629 57.400 58.200 -0.285 0.000 0.835 65 S CB 1.199 64.333 63.200 -0.110 0.000 1.122 65 S HN 1.021 nan 8.310 nan 0.000 0.462 66 H N 1.043 120.141 119.070 0.048 0.000 2.865 66 H HA 0.521 5.077 4.556 0.000 0.000 0.362 66 H C -0.120 175.241 175.328 0.055 0.000 1.114 66 H CA -0.234 55.842 56.048 0.046 0.000 1.208 66 H CB 1.869 31.660 29.762 0.048 0.000 1.727 66 H HN 0.991 nan 8.280 nan 0.000 0.534 67 T N -0.673 113.979 114.554 0.163 0.000 2.766 67 T HA 0.180 4.530 4.350 0.000 0.000 0.295 67 T C 1.925 176.720 174.700 0.158 0.000 1.024 67 T CA -0.775 61.399 62.100 0.124 0.000 1.018 67 T CB 0.740 69.657 68.868 0.081 0.000 1.002 67 T HN 0.459 nan 8.240 nan 0.000 0.532 68 L N -0.047 121.291 121.223 0.191 0.000 2.043 68 L HA -0.124 4.216 4.340 0.000 0.000 0.212 68 L C 3.162 180.225 176.870 0.323 0.000 1.075 68 L CA 1.608 56.618 54.840 0.283 0.000 0.752 68 L CB -0.696 41.647 42.059 0.473 0.000 0.891 68 L HN 0.774 nan 8.230 nan 0.000 0.432 69 E N 0.680 121.017 120.200 0.228 0.000 2.051 69 E HA -0.233 4.117 4.350 0.000 0.000 0.192 69 E C 2.015 178.684 176.600 0.115 0.000 0.991 69 E CA 1.505 57.983 56.400 0.129 0.000 0.799 69 E CB 0.026 29.672 29.700 -0.090 0.000 0.748 69 E HN 0.553 nan 8.360 nan 0.000 0.449 70 E N 0.040 120.299 120.200 0.097 0.000 2.204 70 E HA -0.110 4.240 4.350 0.000 0.000 0.194 70 E C 2.112 178.746 176.600 0.057 0.000 0.989 70 E CA 0.478 56.922 56.400 0.072 0.000 0.824 70 E CB -0.021 29.744 29.700 0.109 0.000 0.756 70 E HN 0.239 nan 8.360 nan 0.000 0.477 71 L N -0.546 120.735 121.223 0.097 0.000 2.552 71 L HA 0.087 4.427 4.340 0.000 0.000 0.227 71 L C 1.466 178.385 176.870 0.083 0.000 1.146 71 L CA 0.474 55.362 54.840 0.080 0.000 0.858 71 L CB -0.004 42.115 42.059 0.099 0.000 0.969 71 L HN 0.310 nan 8.230 nan 0.000 0.451 72 G N -0.866 107.999 108.800 0.108 0.000 2.157 72 G HA2 -0.275 3.685 3.960 0.000 0.000 0.248 72 G HA3 -0.275 3.685 3.960 0.000 0.000 0.248 72 G C 0.770 175.738 174.900 0.113 0.000 0.979 72 G CA 0.311 45.472 45.100 0.101 0.000 0.650 72 G HN 0.094 nan 8.290 nan 0.000 0.529 73 V N -0.366 119.640 119.914 0.153 0.000 2.392 73 V HA -0.088 4.032 4.120 0.000 0.000 0.249 73 V C 2.219 178.292 176.094 -0.036 0.000 1.059 73 V CA 2.425 64.771 62.300 0.078 0.000 1.051 73 V CB -0.540 31.353 31.823 0.117 0.000 0.658 73 V HN 0.407 nan 8.190 nan 0.000 0.455 74 F N -0.445 119.529 119.950 0.041 0.000 2.797 74 F HA 0.151 4.678 4.527 0.000 0.000 0.302 74 F C 0.976 176.759 175.800 -0.028 0.000 1.130 74 F CA 0.045 58.036 58.000 -0.014 0.000 1.387 74 F CB -0.222 38.755 39.000 -0.039 0.000 1.107 74 F HN 0.152 nan 8.300 nan 0.000 0.577 75 D N 1.217 121.691 120.400 0.122 0.000 3.008 75 D HA 0.101 4.741 4.640 0.000 0.000 0.242 75 D C 0.034 176.345 176.300 0.018 0.000 1.222 75 D CA 0.398 54.437 54.000 0.065 0.000 0.883 75 D CB -0.262 40.572 40.800 0.057 0.000 1.110 75 D HN 0.226 nan 8.370 nan 0.000 0.455 76 I N 0.562 121.127 120.570 -0.009 0.000 2.442 76 I HA 0.173 4.343 4.170 0.000 0.000 0.279 76 I C -0.733 175.363 176.117 -0.035 0.000 1.081 76 I CA -0.116 61.160 61.300 -0.041 0.000 1.197 76 I CB 0.256 38.202 38.000 -0.089 0.000 1.394 76 I HN -0.201 nan 8.210 nan 0.000 0.488 77 S N 5.192 120.885 115.700 -0.013 0.000 2.454 77 S HA 0.358 4.828 4.470 0.000 0.000 0.306 77 S C -0.454 174.150 174.600 0.007 0.000 1.100 77 S CA -0.420 57.775 58.200 -0.009 0.000 1.087 77 S CB 2.175 65.374 63.200 -0.001 0.000 1.019 77 S HN 0.405 nan 8.310 nan 0.000 0.480 78 V N 6.231 126.151 119.914 0.011 0.000 2.655 78 V HA 0.257 4.377 4.120 0.000 0.000 0.300 78 V C -1.881 174.239 176.094 0.044 0.000 1.044 78 V CA -1.707 60.630 62.300 0.062 0.000 1.095 78 V CB 0.615 32.480 31.823 0.070 0.000 0.952 78 V HN 0.709 nan 8.190 nan 0.000 0.485 79 P HA 0.128 nan 4.420 nan 0.000 0.268 79 P C 0.764 178.043 177.300 -0.036 0.000 1.205 79 P CA 0.205 63.285 63.100 -0.033 0.000 0.771 79 P CB 0.960 32.584 31.700 -0.127 0.000 0.858 80 G N 2.416 111.192 108.800 -0.041 0.000 2.470 80 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 80 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 80 G C 1.114 175.987 174.900 -0.045 0.000 1.121 80 G CA 0.334 45.415 45.100 -0.032 0.000 0.766 80 G HN 0.692 nan 8.290 nan 0.000 0.553 81 E N -0.518 119.631 120.200 -0.085 0.000 2.415 81 E HA 0.040 4.390 4.350 0.000 0.000 0.197 81 E C 0.980 177.495 176.600 -0.142 0.000 1.007 81 E CA 0.000 56.340 56.400 -0.101 0.000 0.890 81 E CB -0.171 29.460 29.700 -0.114 0.000 0.891 81 E HN 0.214 nan 8.360 nan 0.000 0.496 82 M N 0.796 120.271 119.600 -0.209 0.000 2.297 82 M HA -0.130 4.350 4.480 0.000 0.000 0.200 82 M C -0.989 175.019 176.300 -0.487 0.000 0.414 82 M CA 0.392 55.552 55.300 -0.233 0.000 0.449 82 M CB -2.181 30.464 32.600 0.075 0.000 1.436 82 M HN -0.040 nan 8.290 nan 0.000 0.912 83 V N 0.870 120.317 119.914 -0.778 0.000 2.459 83 V HA 0.664 4.784 4.120 0.000 0.000 0.295 83 V C -0.245 175.342 176.094 -0.844 0.000 1.029 83 V CA -0.334 61.621 62.300 -0.576 0.000 0.874 83 V CB 2.031 33.681 31.823 -0.287 0.000 0.985 83 V HN 0.276 nan 8.190 nan 0.000 0.438 84 F N 5.154 125.072 119.950 -0.054 0.000 2.539 84 F HA 0.479 5.006 4.527 0.000 0.000 0.328 84 F C -1.368 174.437 175.800 0.008 0.000 1.148 84 F CA -1.773 56.230 58.000 0.005 0.000 0.940 84 F CB 1.967 40.996 39.000 0.049 0.000 1.194 84 F HN 0.363 nan 8.300 nan 0.000 0.438 85 P HA 0.003 nan 4.420 nan 0.000 0.239 85 P C -0.215 177.152 177.300 0.111 0.000 1.184 85 P CA 0.642 63.799 63.100 0.095 0.000 0.760 85 P CB 0.348 32.087 31.700 0.064 0.000 0.884 86 S N -2.920 112.881 115.700 0.168 0.000 2.587 86 S HA 0.429 4.899 4.470 0.000 0.000 0.269 86 S C -2.749 171.984 174.600 0.222 0.000 1.154 86 S CA -1.154 57.136 58.200 0.149 0.000 0.824 86 S CB 1.573 64.835 63.200 0.104 0.000 1.118 86 S HN -0.344 nan 8.310 nan 0.000 0.462 87 P HA -0.008 nan 4.420 nan 0.000 0.215 87 P C 1.488 179.036 177.300 0.414 0.000 1.153 87 P CA 0.612 63.925 63.100 0.355 0.000 0.853 87 P CB 0.014 31.914 31.700 0.332 0.000 0.788 88 L N 0.103 121.495 121.223 0.281 0.000 2.093 88 L HA -0.152 4.188 4.340 0.000 0.000 0.208 88 L C 2.095 179.144 176.870 0.299 0.000 1.085 88 L CA 1.823 56.835 54.840 0.287 0.000 0.755 88 L CB -1.759 40.350 42.059 0.085 0.000 0.904 88 L HN 0.090 nan 8.230 nan 0.000 0.435 89 D N -1.207 119.343 120.400 0.249 0.000 2.144 89 D HA -0.267 4.373 4.640 0.000 0.000 0.199 89 D C 2.170 178.637 176.300 0.280 0.000 0.984 89 D CA 0.808 54.965 54.000 0.261 0.000 0.834 89 D CB 0.157 41.115 40.800 0.264 0.000 0.955 89 D HN 0.275 nan 8.370 nan 0.000 0.465 90 F N 1.086 121.041 119.950 0.009 0.000 2.146 90 F HA -0.112 4.414 4.527 -0.000 0.000 0.298 90 F C 1.909 177.480 175.800 -0.383 0.000 1.096 90 F CA 0.788 58.502 58.000 -0.476 0.000 1.275 90 F CB -1.156 37.573 39.000 -0.451 0.000 1.008 90 F HN -0.064 nan 8.300 nan 0.000 0.480 91 F N 1.427 121.153 119.950 -0.373 0.000 2.126 91 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 91 F C 2.165 177.823 175.800 -0.237 0.000 1.096 91 F CA 2.221 59.962 58.000 -0.433 0.000 1.255 91 F CB -0.597 38.318 39.000 -0.142 0.000 0.997 91 F HN 0.093 nan 8.300 nan 0.000 0.479 92 E N -0.209 119.892 120.200 -0.164 0.000 2.046 92 E HA -0.122 4.228 4.350 0.000 0.000 0.190 92 E C 2.195 178.687 176.600 -0.179 0.000 0.982 92 E CA 1.237 57.546 56.400 -0.151 0.000 0.800 92 E CB -0.087 29.679 29.700 0.109 0.000 0.756 92 E HN 0.401 nan 8.360 nan 0.000 0.449 93 R N -0.340 120.135 120.500 -0.042 0.000 2.282 93 R HA 0.114 4.454 4.340 0.000 0.000 0.195 93 R C 1.208 177.588 176.300 0.134 0.000 0.909 93 R CA 0.328 56.494 56.100 0.110 0.000 1.039 93 R CB 0.724 31.222 30.300 0.331 0.000 1.015 93 R HN -0.010 nan 8.270 nan 0.000 0.513 94 G N 1.648 110.357 108.800 -0.151 0.000 3.455 94 G HA2 0.071 4.031 3.960 0.000 0.000 0.250 94 G HA3 0.071 4.031 3.960 0.000 0.000 0.250 94 G C -0.224 174.522 174.900 -0.257 0.000 1.071 94 G CA 0.007 44.989 45.100 -0.197 0.000 1.812 94 G HN -0.083 nan 8.290 nan 0.000 0.643 95 K N -0.017 120.281 120.400 -0.170 0.000 2.482 95 K HA 0.455 4.775 4.320 0.000 0.000 0.257 95 K C -2.922 173.602 176.600 -0.128 0.000 0.969 95 K CA -1.983 54.179 56.287 -0.209 0.000 0.842 95 K CB 2.405 34.733 32.500 -0.287 0.000 1.359 95 K HN -0.128 nan 8.250 nan 0.000 0.441 96 P HA 0.062 nan 4.420 nan 0.000 0.274 96 P C -0.328 176.852 177.300 -0.200 0.000 1.237 96 P CA -0.193 62.798 63.100 -0.182 0.000 0.793 96 P CB 0.166 31.762 31.700 -0.172 0.000 0.977 97 T N -0.646 113.778 114.554 -0.217 0.000 2.903 97 T HA 0.227 4.577 4.350 0.000 0.000 0.314 97 T C -2.338 172.192 174.700 -0.283 0.000 1.078 97 T CA -1.355 60.599 62.100 -0.242 0.000 1.114 97 T CB -0.746 67.999 68.868 -0.205 0.000 0.987 97 T HN 0.190 nan 8.240 nan 0.000 0.548 98 P HA 0.337 nan 4.420 nan 0.000 0.271 98 P C -0.939 176.204 177.300 -0.261 0.000 1.216 98 P CA -0.628 62.237 63.100 -0.392 0.000 0.776 98 P CB 0.352 31.662 31.700 -0.651 0.000 0.881 99 L N 4.936 126.074 121.223 -0.143 0.000 2.316 99 L HA 0.461 4.801 4.340 0.000 0.000 0.280 99 L C -1.240 175.706 176.870 0.128 0.000 1.006 99 L CA -0.421 54.410 54.840 -0.016 0.000 0.836 99 L CB 1.406 43.439 42.059 -0.043 0.000 1.221 99 L HN 0.050 nan 8.230 nan 0.000 0.418 100 V N 4.751 124.753 119.914 0.146 0.000 2.531 100 V HA 0.527 4.647 4.120 0.000 0.000 0.301 100 V C -0.032 176.067 176.094 0.009 0.000 1.034 100 V CA -0.877 61.474 62.300 0.084 0.000 0.865 100 V CB 1.611 33.415 31.823 -0.031 0.000 0.995 100 V HN 0.712 nan 8.190 nan 0.000 0.424 101 R N 3.282 123.597 120.500 -0.309 0.000 2.449 101 R HA 0.285 4.625 4.340 0.000 0.000 0.296 101 R C 0.265 176.307 176.300 -0.429 0.000 1.047 101 R CA 0.675 56.239 56.100 -0.893 0.000 1.018 101 R CB 0.681 30.191 30.300 -1.316 0.000 0.962 101 R HN 0.837 nan 8.270 nan 0.000 0.428 102 S N 2.812 118.298 115.700 -0.357 0.000 2.616 102 S HA 0.286 4.756 4.470 0.000 0.000 0.277 102 S C 0.573 175.061 174.600 -0.185 0.000 1.234 102 S CA -0.643 57.447 58.200 -0.183 0.000 1.028 102 S CB 0.804 63.946 63.200 -0.096 0.000 0.988 102 S HN 0.739 nan 8.310 nan 0.000 0.522 103 R N 2.112 122.544 120.500 -0.112 0.000 2.317 103 R HA 0.244 4.584 4.340 0.000 0.000 0.208 103 R C 0.084 176.348 176.300 -0.060 0.000 0.914 103 R CA -0.182 55.865 56.100 -0.088 0.000 1.060 103 R CB -0.191 30.070 30.300 -0.063 0.000 1.015 103 R HN 0.560 nan 8.270 nan 0.000 0.498 104 L N 2.061 123.253 121.223 -0.051 0.000 2.593 104 L HA -0.109 4.231 4.340 0.000 0.000 0.287 104 L C 0.336 177.184 176.870 -0.036 0.000 1.243 104 L CA 0.702 55.522 54.840 -0.033 0.000 0.890 104 L CB 0.269 42.316 42.059 -0.021 0.000 1.134 104 L HN 0.007 nan 8.230 nan 0.000 0.502 105 Q N 3.442 123.227 119.800 -0.025 0.000 2.400 105 Q HA 0.435 4.775 4.340 0.000 0.000 0.255 105 Q C -1.289 174.699 176.000 -0.020 0.000 1.008 105 Q CA -0.361 55.428 55.803 -0.023 0.000 0.841 105 Q CB 1.133 29.860 28.738 -0.018 0.000 1.220 105 Q HN 0.360 nan 8.270 nan 0.000 0.474 106 L N 5.698 126.908 121.223 -0.023 0.000 2.334 106 L HA 0.684 5.024 4.340 0.000 0.000 0.272 106 L C -1.990 174.865 176.870 -0.026 0.000 1.020 106 L CA -1.945 52.877 54.840 -0.029 0.000 0.812 106 L CB 1.023 43.054 42.059 -0.047 0.000 1.264 106 L HN 0.635 nan 8.230 nan 0.000 0.439 107 P HA 0.196 nan 4.420 nan 0.000 0.274 107 P C -0.600 176.687 177.300 -0.022 0.000 1.246 107 P CA -0.195 62.893 63.100 -0.020 0.000 0.795 107 P CB 0.381 32.069 31.700 -0.018 0.000 1.006 108 N N -0.129 118.566 118.700 -0.008 0.000 2.754 108 N HA -0.171 4.569 4.740 0.000 0.000 0.248 108 N C 0.838 176.357 175.510 0.014 0.000 1.093 108 N CA 1.427 54.477 53.050 0.000 0.000 0.699 108 N CB -1.912 36.570 38.487 -0.007 0.000 1.016 108 N HN 0.974 nan 8.380 nan 0.000 0.552 109 G N -1.605 107.208 108.800 0.021 0.000 2.179 109 G HA2 -0.335 3.625 3.960 0.000 0.000 0.257 109 G HA3 -0.335 3.625 3.960 0.000 0.000 0.257 109 G C 0.094 175.041 174.900 0.078 0.000 1.010 109 G CA 0.368 45.497 45.100 0.048 0.000 0.736 109 G HN 0.471 nan 8.290 nan 0.000 0.513 110 V N 1.335 121.264 119.914 0.025 0.000 2.372 110 V HA 0.326 4.446 4.120 0.000 0.000 0.261 110 V C 1.075 177.207 176.094 0.063 0.000 1.055 110 V CA -0.176 62.122 62.300 -0.003 0.000 0.930 110 V CB 0.594 32.276 31.823 -0.235 0.000 1.031 110 V HN 0.404 nan 8.190 nan 0.000 0.479 111 R N 3.646 124.268 120.500 0.203 0.000 2.254 111 R HA 0.567 4.907 4.340 0.000 0.000 0.318 111 R C -0.856 175.588 176.300 0.239 0.000 1.031 111 R CA -0.551 55.651 56.100 0.170 0.000 0.905 111 R CB 1.688 32.119 30.300 0.218 0.000 1.050 111 R HN 0.493 nan 8.270 nan 0.000 0.456 112 V N 3.702 123.655 119.914 0.064 0.000 2.407 112 V HA 0.301 4.421 4.120 0.000 0.000 0.278 112 V C -0.703 175.367 176.094 -0.040 0.000 1.037 112 V CA -0.594 61.761 62.300 0.092 0.000 0.900 112 V CB 0.750 32.587 31.823 0.025 0.000 0.983 112 V HN 0.655 nan 8.190 nan 0.000 0.459 113 W N 4.566 125.898 121.300 0.053 0.000 2.736 113 W HA 0.733 5.394 4.660 0.000 0.000 0.335 113 W C -0.665 175.859 176.519 0.009 0.000 1.059 113 W CA -0.612 56.743 57.345 0.016 0.000 1.226 113 W CB 1.445 30.903 29.460 -0.002 0.000 1.416 113 W HN 0.300 nan 8.180 nan 0.000 0.505 114 L N 3.102 124.438 121.223 0.188 0.000 2.296 114 L HA 0.455 4.795 4.340 0.000 0.000 0.286 114 L C 0.057 176.955 176.870 0.045 0.000 1.023 114 L CA -1.063 53.839 54.840 0.102 0.000 0.812 114 L CB 1.393 43.494 42.059 0.070 0.000 1.223 114 L HN 0.327 nan 8.230 nan 0.000 0.421 115 K N 4.715 125.121 120.400 0.009 0.000 2.264 115 K HA 0.426 4.746 4.320 0.000 0.000 0.277 115 K C -0.760 175.766 176.600 -0.124 0.000 1.067 115 K CA -0.464 55.779 56.287 -0.073 0.000 0.900 115 K CB 0.586 33.040 32.500 -0.076 0.000 1.124 115 K HN 0.572 nan 8.250 nan 0.000 0.469 116 L N 5.340 126.414 121.223 -0.249 0.000 2.358 116 L HA 0.170 4.510 4.340 0.000 0.000 0.274 116 L C 0.818 177.526 176.870 -0.270 0.000 1.136 116 L CA -0.459 54.145 54.840 -0.394 0.000 0.970 116 L CB 0.589 42.134 42.059 -0.856 0.000 1.314 116 L HN 0.639 nan 8.230 nan 0.000 0.427 117 E N 1.876 122.023 120.200 -0.088 0.000 2.516 117 E HA -0.156 4.194 4.350 0.000 0.000 0.199 117 E C 1.502 178.158 176.600 0.094 0.000 1.069 117 E CA 0.532 56.923 56.400 -0.015 0.000 0.876 117 E CB 0.055 29.753 29.700 -0.005 0.000 0.843 117 E HN 0.842 nan 8.360 nan 0.000 0.530 118 W N -0.723 120.622 121.300 0.075 0.000 2.825 118 W HA -0.071 4.590 4.660 0.001 0.000 0.243 118 W C 0.792 177.235 176.519 -0.126 0.000 1.293 118 W CA 0.048 57.380 57.345 -0.021 0.000 1.403 118 W CB -0.881 28.540 29.460 -0.064 0.000 1.134 118 W HN -0.094 nan 8.180 nan 0.000 0.666 119 Y N 1.750 121.892 120.300 -0.264 0.000 2.529 119 Y HA 0.079 4.629 4.550 0.000 0.000 0.290 119 Y C 0.970 176.732 175.900 -0.229 0.000 1.177 119 Y CA 0.200 58.154 58.100 -0.245 0.000 1.305 119 Y CB -0.811 37.442 38.460 -0.344 0.000 1.047 119 Y HN -0.097 nan 8.280 nan 0.000 0.522 120 N N 2.138 120.784 118.700 -0.091 0.000 2.518 120 N HA -0.007 4.733 4.740 0.000 0.000 0.266 120 N C -1.675 173.678 175.510 -0.261 0.000 1.196 120 N CA -0.673 52.271 53.050 -0.176 0.000 0.947 120 N CB 0.900 39.373 38.487 -0.023 0.000 1.098 120 N HN 0.077 nan 8.380 nan 0.000 0.450 121 P HA -0.034 nan 4.420 nan 0.000 0.224 121 P C 0.667 177.776 177.300 -0.317 0.000 1.157 121 P CA 1.192 63.970 63.100 -0.537 0.000 0.799 121 P CB 0.248 31.375 31.700 -0.955 0.000 0.809 122 F N 1.214 121.175 119.950 0.019 0.000 2.287 122 F HA 0.065 4.592 4.527 -0.000 0.000 0.276 122 F C 2.612 178.423 175.800 0.019 0.000 1.047 122 F CA 1.316 59.324 58.000 0.013 0.000 1.194 122 F CB -1.774 37.215 39.000 -0.019 0.000 1.118 122 F HN -0.116 nan 8.300 nan 0.000 0.556 123 S N -0.092 115.735 115.700 0.212 0.000 2.593 123 S HA 0.134 4.604 4.470 0.000 0.000 0.217 123 S C 0.675 175.338 174.600 0.105 0.000 0.966 123 S CA -0.031 58.262 58.200 0.155 0.000 0.914 123 S CB -0.587 62.717 63.200 0.173 0.000 0.776 123 S HN 0.199 nan 8.310 nan 0.000 0.523 124 L N 1.765 123.029 121.223 0.068 0.000 3.678 124 L HA -0.164 4.176 4.340 0.000 0.000 0.425 124 L C 0.384 177.338 176.870 0.140 0.000 1.240 124 L CA 1.081 55.960 54.840 0.065 0.000 0.876 124 L CB -2.600 39.460 42.059 0.003 0.000 1.766 124 L HN 0.827 nan 8.230 nan 0.000 0.917 125 S N -3.968 111.820 115.700 0.147 0.000 2.615 125 S HA 0.568 5.039 4.470 0.000 0.000 0.269 125 S C 0.380 175.082 174.600 0.169 0.000 1.161 125 S CA -0.366 57.945 58.200 0.186 0.000 0.817 125 S CB 1.409 64.740 63.200 0.219 0.000 1.131 125 S HN 0.122 nan 8.310 nan 0.000 0.467 126 V N 1.750 121.765 119.914 0.169 0.000 2.660 126 V HA -0.111 4.009 4.120 0.000 0.000 0.257 126 V C 1.840 178.088 176.094 0.257 0.000 1.088 126 V CA 1.964 64.366 62.300 0.170 0.000 1.106 126 V CB -0.848 31.026 31.823 0.085 0.000 0.686 126 V HN 0.808 nan 8.190 nan 0.000 0.481 127 K N -0.273 120.288 120.400 0.268 0.000 2.439 127 K HA -0.064 4.256 4.320 0.000 0.000 0.197 127 K C 1.594 178.353 176.600 0.266 0.000 1.041 127 K CA 0.917 57.401 56.287 0.327 0.000 0.970 127 K CB -0.439 32.304 32.500 0.404 0.000 0.773 127 K HN 0.504 nan 8.250 nan 0.000 0.479 128 D N 1.093 121.614 120.400 0.202 0.000 2.149 128 D HA -0.122 4.518 4.640 0.000 0.000 0.198 128 D C 1.955 178.286 176.300 0.052 0.000 0.990 128 D CA 0.992 55.076 54.000 0.139 0.000 0.839 128 D CB 0.107 41.022 40.800 0.191 0.000 0.948 128 D HN 0.213 nan 8.370 nan 0.000 0.460 129 R N 0.345 120.944 120.500 0.166 0.000 2.062 129 R HA -0.049 4.291 4.340 0.000 0.000 0.231 129 R C -0.533 175.744 176.300 -0.038 0.000 1.136 129 R CA 1.296 57.481 56.100 0.141 0.000 0.948 129 R CB -1.480 28.821 30.300 0.002 0.000 0.845 129 R HN 0.302 nan 8.270 nan 0.000 0.430 130 P HA -0.128 nan 4.420 nan 0.000 0.217 130 P C 1.045 178.434 177.300 0.148 0.000 1.150 130 P CA 1.763 64.851 63.100 -0.019 0.000 0.832 130 P CB 0.001 31.706 31.700 0.008 0.000 0.787 131 A N 0.118 123.076 122.820 0.230 0.000 1.883 131 A HA -0.136 4.184 4.320 0.000 0.000 0.217 131 A C 2.501 180.056 177.584 -0.048 0.000 1.186 131 A CA 2.058 54.155 52.037 0.100 0.000 0.624 131 A CB -1.671 17.277 19.000 -0.086 0.000 0.822 131 A HN 0.076 nan 8.150 nan 0.000 0.444 132 V N -0.258 119.572 119.914 -0.140 0.000 2.358 132 V HA -0.206 3.914 4.120 0.000 0.000 0.246 132 V C 2.562 178.595 176.094 -0.102 0.000 1.047 132 V CA 2.361 64.551 62.300 -0.183 0.000 1.035 132 V CB -0.640 30.894 31.823 -0.483 0.000 0.658 132 V HN 0.713 nan 8.190 nan 0.000 0.452 133 E N 0.323 120.500 120.200 -0.037 0.000 2.072 133 E HA -0.148 4.202 4.350 0.000 0.000 0.191 133 E C 1.992 178.572 176.600 -0.032 0.000 0.985 133 E CA 1.304 57.703 56.400 -0.002 0.000 0.801 133 E CB -0.262 29.447 29.700 0.015 0.000 0.750 133 E HN 0.580 nan 8.360 nan 0.000 0.452 134 I N 0.236 120.795 120.570 -0.018 0.000 2.179 134 I HA -0.249 3.921 4.170 0.000 0.000 0.242 134 I C 1.849 177.910 176.117 -0.094 0.000 1.088 134 I CA 0.660 61.954 61.300 -0.011 0.000 1.357 134 I CB -0.174 37.873 38.000 0.078 0.000 1.051 134 I HN 0.220 nan 8.210 nan 0.000 0.409 135 I N 0.505 120.978 120.570 -0.162 0.000 2.286 135 I HA -0.207 3.963 4.170 0.000 0.000 0.245 135 I C 2.871 178.713 176.117 -0.458 0.000 1.104 135 I CA 1.752 62.884 61.300 -0.280 0.000 1.397 135 I CB -1.410 36.440 38.000 -0.249 0.000 1.072 135 I HN 0.315 nan 8.210 nan 0.000 0.417 136 S N 1.111 116.447 115.700 -0.608 0.000 2.400 136 S HA -0.186 4.284 4.470 0.000 0.000 0.232 136 S C 2.054 176.525 174.600 -0.215 0.000 1.025 136 S CA 0.987 58.837 58.200 -0.583 0.000 0.993 136 S CB -0.491 62.540 63.200 -0.282 0.000 0.808 136 S HN 0.424 nan 8.310 nan 0.000 0.478 137 R N 0.881 121.295 120.500 -0.143 0.000 2.297 137 R HA 0.310 4.650 4.340 0.000 0.000 0.197 137 R C 1.870 178.132 176.300 -0.063 0.000 0.943 137 R CA 0.629 56.684 56.100 -0.076 0.000 1.038 137 R CB -0.116 30.154 30.300 -0.050 0.000 0.957 137 R HN 0.613 nan 8.270 nan 0.000 0.484 138 L N -1.473 119.697 121.223 -0.087 0.000 2.640 138 L HA 0.271 4.611 4.340 0.000 0.000 0.230 138 L C 1.449 178.319 176.870 0.001 0.000 1.123 138 L CA 0.460 55.261 54.840 -0.065 0.000 0.900 138 L CB 0.068 42.056 42.059 -0.118 0.000 1.146 138 L HN -0.010 nan 8.230 nan 0.000 0.484 139 S N 0.078 115.792 115.700 0.024 0.000 2.547 139 S HA -0.045 4.425 4.470 0.000 0.000 0.235 139 S C 1.728 176.424 174.600 0.161 0.000 0.980 139 S CA 0.229 58.545 58.200 0.194 0.000 0.941 139 S CB -0.041 63.239 63.200 0.133 0.000 0.763 139 S HN 0.449 nan 8.310 nan 0.000 0.532 140 R N 2.229 122.780 120.500 0.086 0.000 2.055 140 R HA 0.236 4.576 4.340 0.000 0.000 0.221 140 R C 2.590 178.929 176.300 0.066 0.000 1.154 140 R CA 1.758 57.897 56.100 0.065 0.000 0.975 140 R CB -0.638 29.681 30.300 0.032 0.000 0.869 140 R HN 0.709 nan 8.270 nan 0.000 0.437 141 R N -0.437 120.092 120.500 0.049 0.000 2.200 141 R HA 0.217 4.557 4.340 0.000 0.000 0.208 141 R C -0.114 176.217 176.300 0.053 0.000 1.033 141 R CA 0.303 56.426 56.100 0.038 0.000 1.000 141 R CB 0.039 30.349 30.300 0.016 0.000 0.906 141 R HN -0.119 nan 8.270 nan 0.000 0.462 142 V N 2.378 122.340 119.914 0.079 0.000 2.394 142 V HA 0.148 4.268 4.120 0.000 0.000 0.282 142 V C -0.049 176.180 176.094 0.225 0.000 1.031 142 V CA -0.762 61.599 62.300 0.100 0.000 0.881 142 V CB 1.643 33.464 31.823 -0.004 0.000 0.982 142 V HN 0.206 nan 8.190 nan 0.000 0.451 143 E N 3.722 124.032 120.200 0.182 0.000 2.360 143 E HA 0.158 4.508 4.350 0.000 0.000 0.269 143 E C -0.266 176.475 176.600 0.235 0.000 1.022 143 E CA -0.613 55.888 56.400 0.167 0.000 0.887 143 E CB 0.622 30.382 29.700 0.100 0.000 0.990 143 E HN 0.381 nan 8.360 nan 0.000 0.426 144 K N 0.947 121.400 120.400 0.088 0.000 2.469 144 K HA 0.016 4.336 4.320 0.000 0.000 0.274 144 K C 1.061 177.669 176.600 0.013 0.000 0.983 144 K CA 0.838 57.075 56.287 -0.083 0.000 0.974 144 K CB 0.295 32.701 32.500 -0.157 0.000 0.913 144 K HN 0.893 nan 8.250 nan 0.000 0.493 145 G N 1.045 109.844 108.800 -0.002 0.000 2.234 145 G HA2 -0.292 3.668 3.960 0.000 0.000 0.260 145 G HA3 -0.292 3.668 3.960 0.000 0.000 0.260 145 G C 0.290 175.275 174.900 0.141 0.000 0.987 145 G CA 0.493 45.627 45.100 0.057 0.000 0.625 145 G HN 0.524 nan 8.290 nan 0.000 0.532 146 S N -0.085 115.762 115.700 0.246 0.000 2.573 146 S HA 0.474 4.944 4.470 0.000 0.000 0.277 146 S C 0.207 174.944 174.600 0.228 0.000 1.346 146 S CA 0.041 58.382 58.200 0.235 0.000 1.034 146 S CB 1.452 64.793 63.200 0.235 0.000 0.879 146 S HN 0.920 nan 8.310 nan 0.000 0.528 147 L N 3.991 125.314 121.223 0.168 0.000 2.289 147 L HA 0.622 4.962 4.340 0.000 0.000 0.285 147 L C -0.573 176.366 176.870 0.114 0.000 1.049 147 L CA -0.357 54.560 54.840 0.128 0.000 0.804 147 L CB 1.039 43.175 42.059 0.129 0.000 1.195 147 L HN 0.453 nan 8.230 nan 0.000 0.428 148 V N 2.667 122.602 119.914 0.034 0.000 2.715 148 V HA 1.066 5.186 4.120 0.000 0.000 0.310 148 V C -0.287 175.789 176.094 -0.031 0.000 1.054 148 V CA -0.051 62.262 62.300 0.022 0.000 0.928 148 V CB 0.994 32.782 31.823 -0.057 0.000 1.007 148 V HN 1.174 nan 8.190 nan 0.000 0.437 149 A N 2.289 125.130 122.820 0.035 0.000 2.609 149 A HA 0.912 5.232 4.320 0.000 0.000 0.291 149 A C -1.437 176.302 177.584 0.260 0.000 1.096 149 A CA -0.370 51.655 52.037 -0.021 0.000 0.684 149 A CB 2.111 20.776 19.000 -0.558 0.000 1.282 149 A HN 1.017 nan 8.150 nan 0.000 0.412 150 D N -1.315 119.263 120.400 0.297 0.000 2.694 150 D HA 0.600 5.240 4.640 0.000 0.000 0.260 150 D C -0.677 175.830 176.300 0.345 0.000 1.250 150 D CA 0.499 54.751 54.000 0.420 0.000 0.763 150 D CB 1.999 43.133 40.800 0.557 0.000 1.311 150 D HN 0.997 nan 8.370 nan 0.000 0.420 151 A N 0.647 123.652 122.820 0.308 0.000 2.331 151 A HA 0.636 4.956 4.320 0.000 0.000 0.283 151 A C -0.016 177.814 177.584 0.409 0.000 1.142 151 A CA 0.105 52.310 52.037 0.281 0.000 0.812 151 A CB 0.889 19.986 19.000 0.162 0.000 1.074 151 A HN 0.345 nan 8.150 nan 0.000 0.497 152 T N 0.962 115.729 114.554 0.355 0.000 2.840 152 T HA 0.538 4.888 4.350 0.000 0.000 0.317 152 T C 0.101 174.961 174.700 0.266 0.000 1.401 152 T CA -0.273 62.047 62.100 0.367 0.000 1.028 152 T CB 1.057 70.177 68.868 0.420 0.000 1.317 152 T HN 0.712 nan 8.240 nan 0.000 0.495 153 S N 1.290 117.147 115.700 0.262 0.000 2.640 153 S HA 0.289 4.759 4.470 0.000 0.000 0.262 153 S C 1.609 176.298 174.600 0.148 0.000 1.232 153 S CA -0.634 57.677 58.200 0.186 0.000 0.988 153 S CB 0.671 63.995 63.200 0.208 0.000 1.034 153 S HN 0.750 nan 8.310 nan 0.000 0.569 154 S N 1.607 117.342 115.700 0.057 0.000 2.368 154 S HA -0.107 4.363 4.470 0.000 0.000 0.225 154 S C 1.759 176.428 174.600 0.115 0.000 1.030 154 S CA 1.013 59.157 58.200 -0.094 0.000 0.999 154 S CB -0.476 62.350 63.200 -0.624 0.000 0.844 154 S HN 0.507 nan 8.310 nan 0.000 0.459 155 N N 0.925 119.788 118.700 0.272 0.000 2.106 155 N HA -0.018 4.723 4.740 0.000 0.000 0.188 155 N C 1.415 177.093 175.510 0.281 0.000 1.029 155 N CA 0.962 54.212 53.050 0.333 0.000 0.848 155 N CB -0.545 38.153 38.487 0.351 0.000 1.007 155 N HN 0.387 nan 8.380 nan 0.000 0.423 156 F N 1.521 121.555 119.950 0.140 0.000 2.259 156 F HA 0.088 4.615 4.527 -0.000 0.000 0.298 156 F C 2.137 177.993 175.800 0.094 0.000 1.088 156 F CA 1.050 59.115 58.000 0.108 0.000 1.358 156 F CB -0.536 38.515 39.000 0.085 0.000 1.040 156 F HN -0.005 nan 8.300 nan 0.000 0.505 157 G N -0.008 108.852 108.800 0.100 0.000 2.418 157 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 157 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 157 G C 1.748 176.610 174.900 -0.064 0.000 1.158 157 G CA 1.250 46.346 45.100 -0.006 0.000 0.771 157 G HN 0.315 nan 8.290 nan 0.000 0.545 158 V N 1.465 121.386 119.914 0.012 0.000 2.307 158 V HA -0.092 4.028 4.120 0.000 0.000 0.245 158 V C 3.318 179.397 176.094 -0.026 0.000 1.045 158 V CA 1.997 64.316 62.300 0.031 0.000 1.024 158 V CB -0.884 31.022 31.823 0.138 0.000 0.651 158 V HN 0.477 nan 8.190 nan 0.000 0.449 159 A N -0.036 122.756 122.820 -0.046 0.000 1.877 159 A HA -0.210 4.110 4.320 0.000 0.000 0.216 159 A C 2.176 179.605 177.584 -0.258 0.000 1.186 159 A CA 2.128 54.114 52.037 -0.085 0.000 0.620 159 A CB -0.677 18.302 19.000 -0.034 0.000 0.822 159 A HN 0.441 nan 8.150 nan 0.000 0.443 160 L N 0.145 121.065 121.223 -0.505 0.000 2.079 160 L HA -0.137 4.204 4.340 0.000 0.000 0.210 160 L C 2.494 179.219 176.870 -0.242 0.000 1.081 160 L CA 2.598 57.138 54.840 -0.500 0.000 0.752 160 L CB -0.662 40.998 42.059 -0.666 0.000 0.896 160 L HN 0.309 nan 8.230 nan 0.000 0.433 161 S N -0.370 115.219 115.700 -0.185 0.000 2.368 161 S HA -0.094 4.376 4.470 0.000 0.000 0.224 161 S C 2.078 176.606 174.600 -0.119 0.000 1.029 161 S CA 1.034 59.164 58.200 -0.116 0.000 0.988 161 S CB -0.576 62.575 63.200 -0.081 0.000 0.838 161 S HN 0.669 nan 8.310 nan 0.000 0.462 162 A N 1.067 123.798 122.820 -0.148 0.000 1.873 162 A HA -0.022 4.298 4.320 0.000 0.000 0.215 162 A C 2.327 179.715 177.584 -0.327 0.000 1.186 162 A CA 1.446 53.345 52.037 -0.230 0.000 0.616 162 A CB -0.838 18.013 19.000 -0.248 0.000 0.823 162 A HN 0.341 nan 8.150 nan 0.000 0.442 163 V N -0.200 119.536 119.914 -0.297 0.000 2.453 163 V HA -0.164 3.956 4.120 0.000 0.000 0.247 163 V C 3.026 179.123 176.094 0.006 0.000 1.048 163 V CA 1.585 63.755 62.300 -0.217 0.000 1.049 163 V CB -1.124 30.606 31.823 -0.154 0.000 0.672 163 V HN 0.608 nan 8.190 nan 0.000 0.457 164 A N 0.263 123.080 122.820 -0.004 0.000 1.892 164 A HA -0.310 4.010 4.320 0.000 0.000 0.218 164 A C 2.369 180.021 177.584 0.113 0.000 1.188 164 A CA 2.412 54.523 52.037 0.124 0.000 0.631 164 A CB -0.557 18.482 19.000 0.065 0.000 0.822 164 A HN 0.485 nan 8.150 nan 0.000 0.447 165 R N -0.561 119.934 120.500 -0.009 0.000 2.092 165 R HA 0.052 4.392 4.340 0.000 0.000 0.231 165 R C 1.906 178.147 176.300 -0.098 0.000 1.119 165 R CA 1.094 57.164 56.100 -0.052 0.000 0.970 165 R CB -0.390 29.864 30.300 -0.076 0.000 0.864 165 R HN 0.532 nan 8.270 nan 0.000 0.440 166 L N -0.683 120.449 121.223 -0.151 0.000 2.265 166 L HA -0.165 4.175 4.340 0.000 0.000 0.215 166 L C 1.030 177.696 176.870 -0.340 0.000 1.117 166 L CA 1.076 55.759 54.840 -0.262 0.000 0.782 166 L CB -0.081 41.749 42.059 -0.382 0.000 0.914 166 L HN 0.285 nan 8.230 nan 0.000 0.441 167 Y N -0.885 119.356 120.300 -0.098 0.000 2.531 167 Y HA 0.308 4.858 4.550 -0.000 0.000 0.249 167 Y C 1.515 177.187 175.900 -0.379 0.000 1.168 167 Y CA 0.197 58.227 58.100 -0.117 0.000 1.226 167 Y CB 0.750 39.248 38.460 0.062 0.000 1.177 167 Y HN 0.136 nan 8.280 nan 0.000 0.527 168 G N -0.413 108.254 108.800 -0.221 0.000 2.149 168 G HA2 -0.296 3.664 3.960 0.000 0.000 0.235 168 G HA3 -0.296 3.664 3.960 0.000 0.000 0.235 168 G C -0.496 174.116 174.900 -0.479 0.000 1.018 168 G CA -0.254 44.651 45.100 -0.325 0.000 0.728 168 G HN 0.283 nan 8.290 nan 0.000 0.508 169 Y N -0.728 119.594 120.300 0.036 0.000 2.568 169 Y HA 0.802 5.352 4.550 -0.000 0.000 0.327 169 Y C 1.082 176.982 175.900 0.001 0.000 1.163 169 Y CA -1.156 56.958 58.100 0.023 0.000 1.219 169 Y CB 0.984 39.461 38.460 0.028 0.000 1.308 169 Y HN 0.161 nan 8.280 nan 0.000 0.503 170 R N 0.566 121.176 120.500 0.185 0.000 2.643 170 R HA 0.853 5.193 4.340 0.000 0.000 0.272 170 R C -1.085 175.247 176.300 0.054 0.000 0.995 170 R CA -0.850 55.298 56.100 0.080 0.000 1.032 170 R CB 1.430 31.765 30.300 0.059 0.000 1.126 170 R HN 0.758 nan 8.270 nan 0.000 0.505 171 A N 1.541 124.358 122.820 -0.006 0.000 2.435 171 A HA 0.680 5.000 4.320 0.000 0.000 0.304 171 A C -1.157 176.370 177.584 -0.094 0.000 1.064 171 A CA -0.718 51.291 52.037 -0.047 0.000 0.727 171 A CB 1.635 20.602 19.000 -0.055 0.000 1.284 171 A HN 0.690 nan 8.150 nan 0.000 0.415 172 R N 1.305 121.721 120.500 -0.141 0.000 2.621 172 R HA 0.682 5.022 4.340 0.000 0.000 0.284 172 R C -2.285 173.927 176.300 -0.146 0.000 0.998 172 R CA -0.348 55.628 56.100 -0.206 0.000 0.895 172 R CB 2.085 32.185 30.300 -0.335 0.000 1.195 172 R HN 0.531 nan 8.270 nan 0.000 0.450 173 V N 4.942 124.758 119.914 -0.162 0.000 2.531 173 V HA 0.438 4.558 4.120 0.000 0.000 0.301 173 V C -1.458 174.593 176.094 -0.072 0.000 1.034 173 V CA -0.638 61.646 62.300 -0.026 0.000 0.865 173 V CB 1.778 33.585 31.823 -0.028 0.000 0.995 173 V HN 0.656 nan 8.190 nan 0.000 0.424 174 Y N 5.669 125.973 120.300 0.006 0.000 2.335 174 Y HA 0.751 5.301 4.550 0.000 0.000 0.338 174 Y C -0.141 175.788 175.900 0.049 0.000 0.977 174 Y CA -0.643 57.467 58.100 0.017 0.000 1.114 174 Y CB 1.591 40.063 38.460 0.020 0.000 1.182 174 Y HN 0.428 nan 8.280 nan 0.000 0.463 175 L N 5.946 127.264 121.223 0.159 0.000 2.354 175 L HA 0.674 5.014 4.340 0.000 0.000 0.264 175 L C -2.433 174.493 176.870 0.093 0.000 1.008 175 L CA -2.189 52.718 54.840 0.112 0.000 0.819 175 L CB 2.241 44.326 42.059 0.043 0.000 1.339 175 L HN 0.388 nan 8.230 nan 0.000 0.420 176 P HA 0.117 nan 4.420 nan 0.000 0.276 176 P C 0.498 177.819 177.300 0.034 0.000 1.261 176 P CA -0.382 62.754 63.100 0.061 0.000 0.800 176 P CB 0.811 32.548 31.700 0.062 0.000 1.066 177 G N 0.616 109.430 108.800 0.022 0.000 2.432 177 G HA2 -0.224 3.736 3.960 0.000 0.000 0.219 177 G HA3 -0.224 3.736 3.960 0.000 0.000 0.219 177 G C 1.459 176.365 174.900 0.010 0.000 1.135 177 G CA 0.833 45.940 45.100 0.011 0.000 0.767 177 G HN 0.610 nan 8.290 nan 0.000 0.550 178 A N 0.271 123.102 122.820 0.018 0.000 2.209 178 A HA 0.628 4.948 4.320 0.000 0.000 0.212 178 A C 1.639 179.238 177.584 0.026 0.000 1.158 178 A CA 0.951 53.004 52.037 0.025 0.000 0.742 178 A CB -0.391 18.630 19.000 0.034 0.000 0.790 178 A HN 0.754 nan 8.150 nan 0.000 0.472 179 A N 0.259 123.085 122.820 0.009 0.000 2.425 179 A HA 0.426 4.746 4.320 0.000 0.000 0.242 179 A C 0.134 177.674 177.584 -0.074 0.000 1.077 179 A CA -0.310 51.711 52.037 -0.026 0.000 0.781 179 A CB 0.059 19.031 19.000 -0.046 0.000 1.020 179 A HN 0.445 nan 8.150 nan 0.000 0.494 180 E N -0.078 120.028 120.200 -0.157 0.000 2.404 180 E HA 0.165 4.515 4.350 0.000 0.000 0.261 180 E C 0.994 177.445 176.600 -0.248 0.000 1.074 180 E CA 0.223 56.510 56.400 -0.187 0.000 0.917 180 E CB 0.560 30.072 29.700 -0.313 0.000 0.965 180 E HN 0.730 nan 8.360 nan 0.000 0.433 181 E N 1.855 121.995 120.200 -0.100 0.000 2.097 181 E HA -0.234 4.116 4.350 0.000 0.000 0.196 181 E C 1.496 178.057 176.600 -0.065 0.000 1.000 181 E CA 1.696 58.060 56.400 -0.059 0.000 0.804 181 E CB -0.297 29.408 29.700 0.008 0.000 0.740 181 E HN 0.655 nan 8.360 nan 0.000 0.454 182 F N -1.103 118.818 119.950 -0.049 0.000 2.202 182 F HA 0.076 4.603 4.527 -0.001 0.000 0.301 182 F C 2.005 177.790 175.800 -0.025 0.000 1.082 182 F CA 1.312 59.282 58.000 -0.049 0.000 1.313 182 F CB -1.073 37.876 39.000 -0.085 0.000 1.024 182 F HN 0.013 nan 8.300 nan 0.000 0.495 183 G N 0.657 108.977 108.800 -0.800 0.000 2.408 183 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 183 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 183 G C 1.623 176.406 174.900 -0.194 0.000 1.150 183 G CA 0.619 45.421 45.100 -0.498 0.000 0.776 183 G HN 0.426 nan 8.290 nan 0.000 0.542 184 K N -0.774 119.530 120.400 -0.161 0.000 2.167 184 K HA 0.162 4.482 4.320 0.000 0.000 0.203 184 K C 2.107 178.676 176.600 -0.051 0.000 1.052 184 K CA 0.477 56.713 56.287 -0.084 0.000 0.956 184 K CB -0.012 32.446 32.500 -0.070 0.000 0.735 184 K HN 0.278 nan 8.250 nan 0.000 0.451 185 L N 0.378 121.583 121.223 -0.031 0.000 2.286 185 L HA 0.117 4.457 4.340 0.000 0.000 0.203 185 L C 1.629 178.506 176.870 0.012 0.000 1.068 185 L CA 1.077 55.915 54.840 -0.004 0.000 0.811 185 L CB -0.032 42.036 42.059 0.014 0.000 0.989 185 L HN 0.020 nan 8.230 nan 0.000 0.467 186 L N 0.194 121.442 121.223 0.042 0.000 2.141 186 L HA -0.075 4.265 4.340 0.000 0.000 0.209 186 L C -0.369 176.517 176.870 0.028 0.000 1.094 186 L CA 0.878 55.753 54.840 0.058 0.000 0.763 186 L CB -1.762 40.370 42.059 0.121 0.000 0.908 186 L HN 0.242 nan 8.230 nan 0.000 0.437 187 P HA -0.160 nan 4.420 nan 0.000 0.216 187 P C 1.392 178.677 177.300 -0.026 0.000 1.150 187 P CA 1.361 64.450 63.100 -0.018 0.000 0.837 187 P CB -0.032 31.647 31.700 -0.034 0.000 0.786 188 R N -1.025 119.461 120.500 -0.024 0.000 2.096 188 R HA -0.092 4.248 4.340 0.000 0.000 0.235 188 R C 2.197 178.488 176.300 -0.016 0.000 1.127 188 R CA 0.911 56.995 56.100 -0.025 0.000 0.968 188 R CB -1.329 28.956 30.300 -0.025 0.000 0.861 188 R HN 0.164 nan 8.270 nan 0.000 0.440 189 L N 1.193 122.413 121.223 -0.005 0.000 2.042 189 L HA -0.138 4.202 4.340 0.000 0.000 0.210 189 L C 1.719 178.586 176.870 -0.005 0.000 1.076 189 L CA 1.725 56.565 54.840 0.000 0.000 0.749 189 L CB -0.257 41.809 42.059 0.012 0.000 0.893 189 L HN 0.131 nan 8.230 nan 0.000 0.432 190 L N -0.485 120.733 121.223 -0.009 0.000 2.610 190 L HA 0.190 4.530 4.340 0.000 0.000 0.232 190 L C 1.480 178.332 176.870 -0.031 0.000 1.149 190 L CA 0.608 55.436 54.840 -0.021 0.000 0.872 190 L CB -0.640 41.404 42.059 -0.025 0.000 0.992 190 L HN 0.581 nan 8.230 nan 0.000 0.447 191 G N -0.581 108.203 108.800 -0.028 0.000 2.144 191 G HA2 -0.179 3.781 3.960 0.000 0.000 0.218 191 G HA3 -0.179 3.781 3.960 0.000 0.000 0.218 191 G C 0.210 175.089 174.900 -0.035 0.000 0.988 191 G CA -0.110 44.973 45.100 -0.029 0.000 0.659 191 G HN 0.475 nan 8.290 nan 0.000 0.522 192 A N -0.421 122.373 122.820 -0.043 0.000 2.269 192 A HA 0.829 5.149 4.320 0.000 0.000 0.319 192 A C 0.311 177.854 177.584 -0.069 0.000 1.110 192 A CA -0.297 51.706 52.037 -0.057 0.000 0.847 192 A CB 0.642 19.602 19.000 -0.066 0.000 1.161 192 A HN 0.510 nan 8.150 nan 0.000 0.497 193 Q N -0.106 119.639 119.800 -0.093 0.000 2.259 193 Q HA 0.540 4.880 4.340 0.000 0.000 0.249 193 Q C -1.036 174.872 176.000 -0.152 0.000 0.914 193 Q CA -0.494 55.239 55.803 -0.117 0.000 0.904 193 Q CB 1.713 30.368 28.738 -0.139 0.000 1.213 193 Q HN 0.381 nan 8.270 nan 0.000 0.428 194 V N 3.758 123.586 119.914 -0.144 0.000 2.495 194 V HA 0.462 4.582 4.120 0.000 0.000 0.298 194 V C -0.438 175.543 176.094 -0.189 0.000 1.031 194 V CA -0.615 61.593 62.300 -0.154 0.000 0.871 194 V CB 1.509 33.276 31.823 -0.094 0.000 0.988 194 V HN 0.670 nan 8.190 nan 0.000 0.432 195 I N 4.958 125.371 120.570 -0.262 0.000 2.382 195 I HA 0.461 4.631 4.170 0.000 0.000 0.286 195 I C -0.730 175.330 176.117 -0.095 0.000 1.002 195 I CA -0.739 60.421 61.300 -0.234 0.000 1.135 195 I CB 2.046 39.763 38.000 -0.472 0.000 1.288 195 I HN 0.267 nan 8.210 nan 0.000 0.448 196 V N 4.820 124.709 119.914 -0.042 0.000 2.398 196 V HA 0.254 4.374 4.120 0.000 0.000 0.286 196 V C -0.320 175.789 176.094 0.024 0.000 1.026 196 V CA -0.477 61.823 62.300 0.001 0.000 0.868 196 V CB 1.876 33.692 31.823 -0.012 0.000 0.982 196 V HN 0.611 nan 8.190 nan 0.000 0.443 197 D N 6.654 127.085 120.400 0.051 0.000 2.473 197 D HA 0.372 5.012 4.640 0.000 0.000 0.226 197 D C -1.685 174.632 176.300 0.028 0.000 1.089 197 D CA -2.186 51.844 54.000 0.051 0.000 0.883 197 D CB 2.135 42.984 40.800 0.081 0.000 1.029 197 D HN 0.168 nan 8.370 nan 0.000 0.517 198 P HA -0.140 nan 4.420 nan 0.000 0.216 198 P C 0.948 178.246 177.300 -0.003 0.000 1.150 198 P CA 0.952 64.055 63.100 0.005 0.000 0.843 198 P CB 0.480 32.181 31.700 0.002 0.000 0.787 199 E N -0.447 119.749 120.200 -0.007 0.000 2.216 199 E HA 0.046 4.396 4.350 0.000 0.000 0.192 199 E C 1.016 177.580 176.600 -0.059 0.000 0.988 199 E CA 0.280 56.663 56.400 -0.029 0.000 0.834 199 E CB -0.933 28.750 29.700 -0.027 0.000 0.772 199 E HN 0.117 nan 8.360 nan 0.000 0.479 200 A N 3.590 126.388 122.820 -0.036 0.000 2.526 200 A HA 0.082 4.402 4.320 0.000 0.000 0.267 200 A C -1.263 176.283 177.584 -0.063 0.000 1.095 200 A CA -0.722 51.282 52.037 -0.055 0.000 0.775 200 A CB 0.080 19.101 19.000 0.035 0.000 1.036 200 A HN -0.029 nan 8.150 nan 0.000 0.510 201 P HA -0.007 nan 4.420 nan 0.000 0.231 201 P C 0.321 177.612 177.300 -0.016 0.000 1.168 201 P CA 1.301 64.353 63.100 -0.081 0.000 0.779 201 P CB 0.128 31.748 31.700 -0.132 0.000 0.844 202 S N -3.693 112.018 115.700 0.018 0.000 2.656 202 S HA 0.384 4.854 4.470 0.000 0.000 0.273 202 S C 0.844 175.490 174.600 0.077 0.000 1.168 202 S CA -0.403 57.830 58.200 0.055 0.000 0.817 202 S CB 0.849 64.081 63.200 0.053 0.000 1.146 202 S HN -0.232 nan 8.310 nan 0.000 0.475 203 T N 1.338 115.941 114.554 0.081 0.000 2.737 203 T HA -0.078 4.272 4.350 0.000 0.000 0.265 203 T C 2.007 176.702 174.700 -0.008 0.000 1.038 203 T CA 2.009 64.168 62.100 0.098 0.000 1.144 203 T CB -0.734 68.254 68.868 0.200 0.000 0.866 203 T HN 1.056 nan 8.240 nan 0.000 0.434 204 V N -0.152 119.666 119.914 -0.159 0.000 2.759 204 V HA -0.124 3.996 4.120 0.000 0.000 0.256 204 V C 2.062 178.053 176.094 -0.173 0.000 1.080 204 V CA 1.911 64.001 62.300 -0.350 0.000 1.101 204 V CB -1.158 30.364 31.823 -0.500 0.000 0.698 204 V HN 0.516 nan 8.190 nan 0.000 0.477 205 H N 0.271 119.272 119.070 -0.115 0.000 2.489 205 H HA 0.082 4.638 4.556 0.000 0.000 0.293 205 H C 1.844 177.130 175.328 -0.070 0.000 1.066 205 H CA 1.755 57.756 56.048 -0.078 0.000 1.305 205 H CB -0.102 29.633 29.762 -0.044 0.000 1.386 205 H HN 0.487 nan 8.280 nan 0.000 0.551 206 L N -0.300 120.946 121.223 0.038 0.000 2.478 206 L HA -0.081 4.259 4.340 0.000 0.000 0.223 206 L C 1.903 178.701 176.870 -0.121 0.000 1.140 206 L CA 0.180 55.019 54.840 -0.002 0.000 0.842 206 L CB -0.117 41.961 42.059 0.033 0.000 0.953 206 L HN 0.322 nan 8.230 nan 0.000 0.452 207 L N 0.023 121.162 121.223 -0.141 0.000 2.017 207 L HA -0.149 4.191 4.340 0.000 0.000 0.208 207 L C -0.101 176.667 176.870 -0.171 0.000 1.073 207 L CA 1.490 56.245 54.840 -0.143 0.000 0.745 207 L CB -1.688 40.312 42.059 -0.099 0.000 0.894 207 L HN 0.212 nan 8.230 nan 0.000 0.432 208 P HA -0.230 nan 4.420 nan 0.000 0.216 208 P C 1.436 178.652 177.300 -0.140 0.000 1.153 208 P CA 1.494 64.507 63.100 -0.145 0.000 0.858 208 P CB -0.120 31.489 31.700 -0.150 0.000 0.789 209 R N -0.205 120.210 120.500 -0.141 0.000 2.090 209 R HA -0.068 4.272 4.340 0.000 0.000 0.228 209 R C 1.874 178.040 176.300 -0.223 0.000 1.110 209 R CA 1.158 57.184 56.100 -0.124 0.000 0.973 209 R CB -0.684 29.579 30.300 -0.061 0.000 0.869 209 R HN 0.006 nan 8.270 nan 0.000 0.440 210 V N 1.360 121.023 119.914 -0.418 0.000 2.295 210 V HA -0.274 3.846 4.120 0.000 0.000 0.246 210 V C 2.436 178.338 176.094 -0.320 0.000 1.049 210 V CA 1.993 63.938 62.300 -0.592 0.000 1.024 210 V CB -0.365 30.969 31.823 -0.815 0.000 0.648 210 V HN 0.383 nan 8.190 nan 0.000 0.447 211 M N -0.476 118.937 119.600 -0.311 0.000 2.159 211 M HA -0.214 4.266 4.480 0.000 0.000 0.263 211 M C 2.318 178.521 176.300 -0.162 0.000 1.063 211 M CA 1.903 57.094 55.300 -0.182 0.000 1.110 211 M CB -0.460 32.085 32.600 -0.092 0.000 1.374 211 M HN 0.251 nan 8.290 nan 0.000 0.411 212 K N 0.549 120.868 120.400 -0.135 0.000 2.025 212 K HA -0.190 4.130 4.320 0.000 0.000 0.207 212 K C 1.306 177.839 176.600 -0.111 0.000 1.049 212 K CA 1.844 58.070 56.287 -0.102 0.000 0.933 212 K CB -0.010 32.451 32.500 -0.065 0.000 0.714 212 K HN 0.159 nan 8.250 nan 0.000 0.438 213 D N 0.095 120.454 120.400 -0.068 0.000 2.182 213 D HA -0.143 4.497 4.640 0.000 0.000 0.201 213 D C 1.908 177.973 176.300 -0.392 0.000 0.986 213 D CA 1.051 55.054 54.000 0.005 0.000 0.847 213 D CB -0.277 40.746 40.800 0.371 0.000 0.942 213 D HN 0.185 nan 8.370 nan 0.000 0.467 214 S N -0.287 114.977 115.700 -0.726 0.000 2.368 214 S HA -0.139 4.331 4.470 0.000 0.000 0.225 214 S C 1.821 176.067 174.600 -0.589 0.000 1.030 214 S CA 0.925 58.369 58.200 -1.261 0.000 0.999 214 S CB 0.025 62.813 63.200 -0.687 0.000 0.844 214 S HN 0.001 nan 8.310 nan 0.000 0.459 215 K N 1.313 121.519 120.400 -0.323 0.000 2.097 215 K HA 0.026 4.346 4.320 0.000 0.000 0.206 215 K C 1.980 178.488 176.600 -0.154 0.000 1.049 215 K CA 0.992 57.166 56.287 -0.188 0.000 0.933 215 K CB -0.639 31.786 32.500 -0.125 0.000 0.717 215 K HN 0.378 nan 8.250 nan 0.000 0.442 216 N N 1.034 119.646 118.700 -0.147 0.000 2.135 216 N HA -0.094 4.646 4.740 0.000 0.000 0.186 216 N C 1.207 176.675 175.510 -0.069 0.000 1.027 216 N CA 1.096 54.097 53.050 -0.082 0.000 0.849 216 N CB 0.157 38.620 38.487 -0.040 0.000 1.002 216 N HN 0.353 nan 8.380 nan 0.000 0.425 217 E N -0.864 119.276 120.200 -0.101 0.000 2.476 217 E HA 0.222 4.572 4.350 0.000 0.000 0.199 217 E C 0.389 176.974 176.600 -0.024 0.000 1.021 217 E CA 0.111 56.507 56.400 -0.007 0.000 0.907 217 E CB 0.563 30.349 29.700 0.144 0.000 0.974 217 E HN 0.309 nan 8.360 nan 0.000 0.489 218 G N 2.260 110.965 108.800 -0.159 0.000 2.198 218 G HA2 -0.279 3.681 3.960 0.000 0.000 0.257 218 G HA3 -0.279 3.681 3.960 0.000 0.000 0.257 218 G C -0.046 174.845 174.900 -0.014 0.000 1.042 218 G CA 0.495 45.537 45.100 -0.098 0.000 0.791 218 G HN 0.302 nan 8.290 nan 0.000 0.502 219 F N -1.003 118.975 119.950 0.046 0.000 2.408 219 F HA 0.798 5.325 4.527 0.000 0.000 0.325 219 F C 0.247 176.081 175.800 0.058 0.000 1.082 219 F CA -2.422 55.610 58.000 0.055 0.000 1.032 219 F CB 1.064 40.108 39.000 0.073 0.000 1.259 219 F HN 0.036 nan 8.300 nan 0.000 0.503 220 V N 2.144 122.286 119.914 0.381 0.000 2.427 220 V HA 0.052 4.172 4.120 0.000 0.000 0.268 220 V C 0.132 176.488 176.094 0.436 0.000 1.046 220 V CA -0.398 62.058 62.300 0.260 0.000 0.970 220 V CB -0.135 31.742 31.823 0.089 0.000 1.001 220 V HN 0.910 nan 8.190 nan 0.000 0.476 221 H N 4.907 124.144 119.070 0.278 0.000 3.004 221 H HA 0.187 4.743 4.556 0.000 0.000 0.267 221 H C 1.060 176.495 175.328 0.178 0.000 1.165 221 H CA -0.516 55.698 56.048 0.277 0.000 1.450 221 H CB 1.514 31.402 29.762 0.211 0.000 1.488 221 H HN 0.673 nan 8.280 nan 0.000 0.478 222 V N 1.573 121.621 119.914 0.222 0.000 2.970 222 V HA -0.138 3.982 4.120 0.000 0.000 0.260 222 V C 1.019 177.106 176.094 -0.012 0.000 1.100 222 V CA 0.666 63.027 62.300 0.101 0.000 1.122 222 V CB -0.701 31.228 31.823 0.176 0.000 0.721 222 V HN 0.919 nan 8.190 nan 0.000 0.483 223 N N 2.051 120.626 118.700 -0.209 0.000 2.652 223 N HA -0.288 4.452 4.740 0.000 0.000 0.281 223 N C 1.167 176.691 175.510 0.024 0.000 1.084 223 N CA 1.191 54.096 53.050 -0.242 0.000 0.775 223 N CB -0.821 37.356 38.487 -0.518 0.000 0.923 223 N HN 0.957 nan 8.380 nan 0.000 0.558 224 Q N -0.241 119.534 119.800 -0.041 0.000 2.248 224 Q HA -0.174 4.166 4.340 0.000 0.000 0.208 224 Q C 1.254 177.208 176.000 -0.076 0.000 0.984 224 Q CA 1.614 57.262 55.803 -0.258 0.000 0.875 224 Q CB -0.373 27.787 28.738 -0.963 0.000 0.910 224 Q HN 0.590 nan 8.270 nan 0.000 0.433 225 F N -1.231 118.765 119.950 0.077 0.000 2.604 225 F HA 0.006 4.532 4.527 -0.000 0.000 0.298 225 F C 1.317 177.140 175.800 0.039 0.000 1.131 225 F CA 0.743 58.801 58.000 0.096 0.000 1.457 225 F CB 0.158 39.190 39.000 0.053 0.000 1.095 225 F HN 0.121 nan 8.300 nan 0.000 0.574 226 Y N -1.351 119.002 120.300 0.089 0.000 2.540 226 Y HA 0.290 4.839 4.550 -0.000 0.000 0.257 226 Y C 0.488 176.478 175.900 0.150 0.000 1.090 226 Y CA -0.489 57.586 58.100 -0.042 0.000 1.242 226 Y CB 0.293 38.724 38.460 -0.049 0.000 1.325 226 Y HN -0.251 nan 8.280 nan 0.000 0.544 227 N N 1.480 120.393 118.700 0.355 0.000 2.422 227 N HA 0.010 4.750 4.740 0.000 0.000 0.264 227 N C 0.180 175.953 175.510 0.439 0.000 1.063 227 N CA 0.403 53.627 53.050 0.291 0.000 0.959 227 N CB 0.986 39.579 38.487 0.176 0.000 1.087 227 N HN 0.228 nan 8.380 nan 0.000 0.483 228 D N 2.882 123.505 120.400 0.371 0.000 2.310 228 D HA -0.067 4.573 4.640 0.000 0.000 0.212 228 D C 1.375 177.803 176.300 0.214 0.000 0.965 228 D CA 0.592 54.856 54.000 0.439 0.000 0.879 228 D CB 0.073 41.099 40.800 0.376 0.000 0.921 228 D HN 0.688 nan 8.370 nan 0.000 0.510 229 A N 0.977 123.877 122.820 0.133 0.000 2.070 229 A HA -0.204 4.116 4.320 0.000 0.000 0.220 229 A C 1.983 179.550 177.584 -0.028 0.000 1.159 229 A CA 1.209 53.281 52.037 0.058 0.000 0.656 229 A CB -0.411 18.617 19.000 0.047 0.000 0.800 229 A HN 0.150 nan 8.150 nan 0.000 0.453 230 N N -0.106 118.556 118.700 -0.063 0.000 2.051 230 N HA -0.189 4.551 4.740 0.000 0.000 0.192 230 N C 1.532 176.852 175.510 -0.316 0.000 1.049 230 N CA 1.909 54.843 53.050 -0.192 0.000 0.845 230 N CB -0.691 37.688 38.487 -0.180 0.000 1.031 230 N HN 0.377 nan 8.380 nan 0.000 0.425 231 F N 1.738 121.204 119.950 -0.807 0.000 2.091 231 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 231 F C 2.125 177.743 175.800 -0.303 0.000 1.103 231 F CA 1.923 59.452 58.000 -0.785 0.000 1.228 231 F CB -0.414 37.768 39.000 -1.365 0.000 0.984 231 F HN 0.216 nan 8.300 nan 0.000 0.477 232 E N 0.144 120.198 120.200 -0.243 0.000 2.106 232 E HA -0.162 4.188 4.350 0.000 0.000 0.192 232 E C 2.395 178.862 176.600 -0.223 0.000 0.984 232 E CA 0.907 57.192 56.400 -0.192 0.000 0.806 232 E CB -0.447 29.296 29.700 0.072 0.000 0.750 232 E HN 0.520 nan 8.360 nan 0.000 0.458 233 A N 1.348 124.042 122.820 -0.209 0.000 1.940 233 A HA -0.213 4.107 4.320 0.000 0.000 0.219 233 A C 1.815 179.226 177.584 -0.288 0.000 1.176 233 A CA 1.431 53.331 52.037 -0.228 0.000 0.631 233 A CB -0.579 18.261 19.000 -0.265 0.000 0.814 233 A HN 0.262 nan 8.150 nan 0.000 0.446 234 H N -1.617 117.316 119.070 -0.229 0.000 2.482 234 H HA 0.076 4.632 4.556 -0.000 0.000 0.286 234 H C 2.078 177.238 175.328 -0.279 0.000 1.017 234 H CA 1.177 57.093 56.048 -0.219 0.000 1.322 234 H CB -0.148 29.504 29.762 -0.184 0.000 1.426 234 H HN 0.346 nan 8.280 nan 0.000 0.546 235 M N 0.608 120.030 119.600 -0.296 0.000 2.067 235 M HA -0.144 4.336 4.480 0.000 0.000 0.260 235 M C 2.310 178.556 176.300 -0.090 0.000 1.069 235 M CA 1.510 56.685 55.300 -0.209 0.000 1.117 235 M CB -0.589 31.801 32.600 -0.351 0.000 1.334 235 M HN 0.338 nan 8.290 nan 0.000 0.407 236 R N -0.687 119.715 120.500 -0.165 0.000 2.275 236 R HA 0.132 4.472 4.340 0.000 0.000 0.199 236 R C 1.701 177.891 176.300 -0.182 0.000 0.989 236 R CA 1.055 57.048 56.100 -0.179 0.000 1.016 236 R CB -0.316 29.787 30.300 -0.329 0.000 0.918 236 R HN 0.299 nan 8.270 nan 0.000 0.473 237 G N 0.756 109.454 108.800 -0.170 0.000 2.529 237 G HA2 -0.031 3.929 3.960 0.000 0.000 0.220 237 G HA3 -0.031 3.929 3.960 0.000 0.000 0.220 237 G C 0.939 175.742 174.900 -0.162 0.000 1.976 237 G CA 0.430 45.434 45.100 -0.161 0.000 0.789 237 G HN 0.130 nan 8.290 nan 0.000 0.695 238 T N 2.122 116.628 114.554 -0.080 0.000 2.624 238 T HA -0.155 4.195 4.350 0.000 0.000 0.268 238 T C 2.666 177.258 174.700 -0.179 0.000 1.041 238 T CA 2.291 64.339 62.100 -0.087 0.000 1.159 238 T CB -0.571 68.316 68.868 0.031 0.000 0.863 238 T HN 0.418 nan 8.240 nan 0.000 0.434 239 A N 1.519 124.209 122.820 -0.216 0.000 1.855 239 A HA -0.049 4.271 4.320 0.000 0.000 0.215 239 A C 2.312 179.460 177.584 -0.727 0.000 1.191 239 A CA 1.845 53.660 52.037 -0.370 0.000 0.613 239 A CB -0.677 18.163 19.000 -0.267 0.000 0.829 239 A HN 0.472 nan 8.150 nan 0.000 0.442 240 R N 0.067 120.089 120.500 -0.796 0.000 2.105 240 R HA -0.197 4.143 4.340 0.000 0.000 0.239 240 R C 1.894 177.948 176.300 -0.410 0.000 1.135 240 R CA 1.965 57.616 56.100 -0.748 0.000 0.967 240 R CB -0.326 29.780 30.300 -0.323 0.000 0.861 240 R HN 0.684 nan 8.270 nan 0.000 0.442 241 E N 0.261 120.269 120.200 -0.321 0.000 2.072 241 E HA -0.176 4.174 4.350 0.000 0.000 0.191 241 E C 2.073 178.526 176.600 -0.244 0.000 0.985 241 E CA 1.562 57.809 56.400 -0.254 0.000 0.801 241 E CB -0.113 29.457 29.700 -0.216 0.000 0.750 241 E HN 0.418 nan 8.360 nan 0.000 0.452 242 I N 0.616 121.046 120.570 -0.233 0.000 2.208 242 I HA -0.269 3.901 4.170 0.000 0.000 0.245 242 I C 2.285 178.303 176.117 -0.166 0.000 1.097 242 I CA 0.873 62.060 61.300 -0.189 0.000 1.363 242 I CB -0.233 37.677 38.000 -0.150 0.000 1.051 242 I HN 0.100 nan 8.210 nan 0.000 0.413 243 F N 1.394 121.137 119.950 -0.345 0.000 2.046 243 F HA -0.217 4.310 4.527 -0.000 0.000 0.297 243 F C 2.351 178.005 175.800 -0.244 0.000 1.123 243 F CA 1.785 59.618 58.000 -0.277 0.000 1.199 243 F CB -0.702 38.107 39.000 -0.319 0.000 0.972 243 F HN -0.223 nan 8.300 nan 0.000 0.474 244 V N 0.593 120.176 119.914 -0.551 0.000 2.358 244 V HA -0.298 3.822 4.120 0.000 0.000 0.246 244 V C 2.375 178.272 176.094 -0.328 0.000 1.047 244 V CA 2.212 64.153 62.300 -0.598 0.000 1.035 244 V CB -0.837 30.679 31.823 -0.511 0.000 0.658 244 V HN 0.417 nan 8.190 nan 0.000 0.452 245 Q N -0.311 119.321 119.800 -0.281 0.000 2.084 245 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 245 Q C 2.524 178.350 176.000 -0.291 0.000 0.978 245 Q CA 1.900 57.555 55.803 -0.245 0.000 0.844 245 Q CB -0.272 28.326 28.738 -0.233 0.000 0.898 245 Q HN 0.573 nan 8.270 nan 0.000 0.426 246 S N 0.469 115.981 115.700 -0.314 0.000 2.368 246 S HA -0.171 4.299 4.470 0.000 0.000 0.225 246 S C 1.825 176.259 174.600 -0.277 0.000 1.030 246 S CA 1.294 59.294 58.200 -0.333 0.000 0.999 246 S CB -0.133 62.909 63.200 -0.263 0.000 0.844 246 S HN 0.213 nan 8.310 nan 0.000 0.459 247 R N 1.328 121.665 120.500 -0.271 0.000 2.061 247 R HA 0.127 4.467 4.340 0.000 0.000 0.230 247 R C 2.389 178.600 176.300 -0.149 0.000 1.140 247 R CA 1.181 57.161 56.100 -0.200 0.000 0.940 247 R CB -0.154 30.030 30.300 -0.194 0.000 0.839 247 R HN 0.103 nan 8.270 nan 0.000 0.429 248 R N -0.544 119.882 120.500 -0.124 0.000 2.148 248 R HA 0.000 4.340 4.340 0.000 0.000 0.227 248 R C 1.963 178.195 176.300 -0.113 0.000 1.103 248 R CA 1.342 57.384 56.100 -0.096 0.000 0.983 248 R CB -0.621 29.645 30.300 -0.058 0.000 0.874 248 R HN 0.440 nan 8.270 nan 0.000 0.451 249 G N -0.548 108.154 108.800 -0.164 0.000 2.920 249 G HA2 0.105 4.065 3.960 0.000 0.000 0.208 249 G HA3 0.105 4.065 3.960 0.000 0.000 0.208 249 G C 0.867 175.668 174.900 -0.166 0.000 1.159 249 G CA 0.477 45.469 45.100 -0.179 0.000 0.784 249 G HN 0.447 nan 8.290 nan 0.000 0.535 250 G N -0.773 107.937 108.800 -0.150 0.000 2.147 250 G HA2 -0.235 3.725 3.960 0.000 0.000 0.244 250 G HA3 -0.235 3.725 3.960 0.000 0.000 0.244 250 G C 0.197 175.023 174.900 -0.123 0.000 1.005 250 G CA 0.116 45.153 45.100 -0.105 0.000 0.713 250 G HN 0.378 nan 8.290 nan 0.000 0.515 251 L N 0.522 121.604 121.223 -0.235 0.000 2.417 251 L HA 0.632 4.972 4.340 0.000 0.000 0.268 251 L C 1.122 177.900 176.870 -0.153 0.000 1.158 251 L CA 0.675 55.360 54.840 -0.260 0.000 0.819 251 L CB 1.291 43.044 42.059 -0.509 0.000 1.112 251 L HN 0.480 nan 8.230 nan 0.000 0.458 252 A N 3.957 126.723 122.820 -0.091 0.000 2.923 252 A HA 0.389 4.709 4.320 0.000 0.000 0.306 252 A C -0.379 177.131 177.584 -0.124 0.000 1.542 252 A CA -0.486 51.508 52.037 -0.073 0.000 1.225 252 A CB -0.683 18.306 19.000 -0.019 0.000 1.147 252 A HN 0.536 nan 8.150 nan 0.000 0.542 253 L N 2.619 123.747 121.223 -0.158 0.000 2.433 253 L HA 0.268 4.608 4.340 0.000 0.000 0.275 253 L C 0.985 177.711 176.870 -0.240 0.000 1.128 253 L CA 0.550 55.261 54.840 -0.216 0.000 0.875 253 L CB 0.190 42.149 42.059 -0.166 0.000 1.171 253 L HN 0.581 nan 8.230 nan 0.000 0.463 254 R N 3.709 123.938 120.500 -0.452 0.000 2.419 254 R HA 0.481 4.821 4.340 0.000 0.000 0.235 254 R C 0.303 176.272 176.300 -0.551 0.000 0.899 254 R CA 0.403 56.222 56.100 -0.469 0.000 1.048 254 R CB 0.923 30.961 30.300 -0.436 0.000 1.182 254 R HN 0.753 nan 8.270 nan 0.000 0.544 255 G N 0.278 108.664 108.800 -0.691 0.000 2.547 255 G HA2 0.383 4.343 3.960 0.000 0.000 0.291 255 G HA3 0.383 4.343 3.960 0.000 0.000 0.291 255 G C -1.484 173.421 174.900 0.009 0.000 1.471 255 G CA -0.403 44.596 45.100 -0.169 0.000 0.798 255 G HN -0.014 nan 8.290 nan 0.000 0.504 256 V N -2.202 117.783 119.914 0.119 0.000 2.769 256 V HA 0.988 5.108 4.120 0.000 0.000 0.312 256 V C 0.089 176.282 176.094 0.165 0.000 1.061 256 V CA -0.535 61.842 62.300 0.128 0.000 0.931 256 V CB 1.351 33.217 31.823 0.071 0.000 1.010 256 V HN 2.150 nan 8.190 nan 0.000 0.433 257 A N 2.304 125.217 122.820 0.156 0.000 2.355 257 A HA 1.081 5.401 4.320 0.000 0.000 0.317 257 A C 0.154 177.810 177.584 0.119 0.000 1.094 257 A CA 0.031 52.146 52.037 0.131 0.000 0.764 257 A CB 1.514 20.588 19.000 0.124 0.000 1.230 257 A HN 2.229 nan 8.150 nan 0.000 0.448 258 G N -0.192 108.671 108.800 0.104 0.000 2.561 258 G HA2 0.665 4.625 3.960 0.000 0.000 0.310 258 G HA3 0.665 4.625 3.960 0.000 0.000 0.310 258 G C -0.538 174.401 174.900 0.066 0.000 1.292 258 G CA 0.284 45.461 45.100 0.128 0.000 0.811 258 G HN 1.677 nan 8.290 nan 0.000 0.482 259 S N -1.395 114.341 115.700 0.059 0.000 2.689 259 S HA 0.861 5.331 4.470 0.000 0.000 0.306 259 S C -0.886 173.647 174.600 -0.112 0.000 1.104 259 S CA -0.790 57.412 58.200 0.003 0.000 0.973 259 S CB 1.803 65.038 63.200 0.059 0.000 1.121 259 S HN 0.714 nan 8.310 nan 0.000 0.523 260 L N 1.174 122.356 121.223 -0.068 0.000 2.376 260 L HA 0.668 5.008 4.340 0.000 0.000 0.275 260 L C 0.798 177.673 176.870 0.009 0.000 0.987 260 L CA -0.634 54.158 54.840 -0.080 0.000 0.828 260 L CB 1.870 43.888 42.059 -0.068 0.000 1.249 260 L HN 1.012 nan 8.230 nan 0.000 0.409 261 G N 0.297 109.112 108.800 0.025 0.000 2.531 261 G HA2 -0.012 3.948 3.960 0.000 0.000 0.210 261 G HA3 -0.012 3.948 3.960 0.000 0.000 0.210 261 G C 0.949 175.959 174.900 0.185 0.000 1.547 261 G CA 0.570 45.744 45.100 0.124 0.000 0.740 261 G HN 0.448 nan 8.290 nan 0.000 0.611 262 T N 1.166 115.731 114.554 0.018 0.000 2.951 262 T HA 0.044 4.394 4.350 0.000 0.000 0.268 262 T C 1.861 176.705 174.700 0.240 0.000 1.073 262 T CA 2.559 64.666 62.100 0.011 0.000 1.134 262 T CB -0.336 68.400 68.868 -0.221 0.000 0.884 262 T HN 1.350 nan 8.240 nan 0.000 0.479 263 S N -1.686 114.083 115.700 0.116 0.000 2.765 263 S HA -0.181 4.289 4.470 0.000 0.000 0.266 263 S C 1.534 176.213 174.600 0.132 0.000 1.302 263 S CA 1.408 59.663 58.200 0.091 0.000 1.274 263 S CB -2.195 61.085 63.200 0.133 0.000 1.559 263 S HN 0.618 nan 8.310 nan 0.000 0.658 264 G N 2.503 111.363 108.800 0.099 0.000 2.459 264 G HA2 -0.188 3.772 3.960 0.000 0.000 0.217 264 G HA3 -0.188 3.772 3.960 0.000 0.000 0.217 264 G C 1.274 176.093 174.900 -0.134 0.000 1.183 264 G CA 1.347 46.409 45.100 -0.062 0.000 0.776 264 G HN 1.124 nan 8.290 nan 0.000 0.552 265 H N -1.245 117.560 119.070 -0.441 0.000 2.403 265 H HA 0.124 4.680 4.556 -0.000 0.000 0.298 265 H C 2.268 177.434 175.328 -0.270 0.000 1.059 265 H CA 1.038 56.640 56.048 -0.744 0.000 1.363 265 H CB -0.228 28.849 29.762 -1.142 0.000 1.410 265 H HN 0.193 nan 8.280 nan 0.000 0.528 266 M N 1.277 120.692 119.600 -0.310 0.000 2.288 266 M HA -0.013 4.467 4.480 0.000 0.000 0.266 266 M C 2.336 178.643 176.300 0.012 0.000 1.072 266 M CA 0.523 55.768 55.300 -0.092 0.000 1.132 266 M CB -0.586 31.913 32.600 -0.168 0.000 1.386 266 M HN 0.233 nan 8.290 nan 0.000 0.432 267 S N 1.201 116.929 115.700 0.047 0.000 2.382 267 S HA -0.068 4.402 4.470 0.000 0.000 0.228 267 S C 2.108 176.906 174.600 0.331 0.000 1.027 267 S CA 1.352 59.668 58.200 0.193 0.000 0.991 267 S CB -0.296 63.062 63.200 0.263 0.000 0.823 267 S HN 0.561 nan 8.310 nan 0.000 0.469 268 A N 1.598 124.556 122.820 0.230 0.000 1.873 268 A HA 0.194 4.514 4.320 0.000 0.000 0.215 268 A C 2.376 180.045 177.584 0.142 0.000 1.186 268 A CA 1.582 53.668 52.037 0.082 0.000 0.616 268 A CB -1.146 17.724 19.000 -0.217 0.000 0.823 268 A HN 0.500 nan 8.150 nan 0.000 0.442 269 A N -0.011 122.859 122.820 0.083 0.000 1.883 269 A HA 0.119 4.439 4.320 0.000 0.000 0.217 269 A C 2.522 180.175 177.584 0.114 0.000 1.186 269 A CA 2.302 54.376 52.037 0.062 0.000 0.624 269 A CB -1.088 17.941 19.000 0.047 0.000 0.822 269 A HN 1.048 nan 8.150 nan 0.000 0.444 270 A N -1.296 121.609 122.820 0.141 0.000 1.858 270 A HA -0.054 4.266 4.320 0.000 0.000 0.216 270 A C 2.101 179.776 177.584 0.152 0.000 1.190 270 A CA 1.641 53.764 52.037 0.142 0.000 0.617 270 A CB -0.784 18.314 19.000 0.164 0.000 0.827 270 A HN 0.658 nan 8.150 nan 0.000 0.443 271 F N -1.263 118.755 119.950 0.113 0.000 2.134 271 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 271 F C 2.159 177.990 175.800 0.052 0.000 1.097 271 F CA 2.005 60.060 58.000 0.093 0.000 1.264 271 F CB -0.385 38.719 39.000 0.173 0.000 1.001 271 F HN 0.359 nan 8.300 nan 0.000 0.479 272 Y N 0.574 120.919 120.300 0.075 0.000 2.109 272 Y HA -0.175 4.376 4.550 0.000 0.000 0.285 272 Y C 2.169 177.940 175.900 -0.215 0.000 1.131 272 Y CA 1.995 60.051 58.100 -0.073 0.000 1.121 272 Y CB -0.772 37.649 38.460 -0.065 0.000 0.987 272 Y HN 0.031 nan 8.280 nan 0.000 0.495 273 L N -0.205 121.109 121.223 0.150 0.000 2.093 273 L HA -0.255 4.085 4.340 0.000 0.000 0.208 273 L C 2.363 179.199 176.870 -0.056 0.000 1.085 273 L CA 1.572 56.439 54.840 0.044 0.000 0.755 273 L CB -0.553 41.533 42.059 0.045 0.000 0.904 273 L HN 0.285 nan 8.230 nan 0.000 0.435 274 Q N -0.948 118.799 119.800 -0.089 0.000 2.291 274 Q HA -0.122 4.218 4.340 0.000 0.000 0.205 274 Q C 2.356 178.222 176.000 -0.223 0.000 0.970 274 Q CA 1.151 56.876 55.803 -0.130 0.000 0.876 274 Q CB 0.015 28.688 28.738 -0.109 0.000 0.935 274 Q HN 0.412 nan 8.270 nan 0.000 0.455 275 S N 0.146 115.642 115.700 -0.340 0.000 2.356 275 S HA -0.129 4.341 4.470 0.000 0.000 0.223 275 S C 2.067 176.510 174.600 -0.261 0.000 1.032 275 S CA 1.220 59.190 58.200 -0.385 0.000 1.005 275 S CB -0.140 62.753 63.200 -0.511 0.000 0.867 275 S HN 0.178 nan 8.310 nan 0.000 0.449 276 V N 0.966 120.735 119.914 -0.242 0.000 2.358 276 V HA -0.024 4.097 4.120 0.000 0.000 0.246 276 V C 0.639 176.685 176.094 -0.081 0.000 1.047 276 V CA 1.284 63.482 62.300 -0.170 0.000 1.035 276 V CB -0.297 31.412 31.823 -0.191 0.000 0.658 276 V HN 0.418 nan 8.190 nan 0.000 0.452 277 D N -1.579 118.777 120.400 -0.073 0.000 2.365 277 D HA 0.235 4.875 4.640 0.000 0.000 0.235 277 D C -2.364 173.904 176.300 -0.054 0.000 1.368 277 D CA -1.652 52.321 54.000 -0.045 0.000 1.001 277 D CB 1.939 42.730 40.800 -0.013 0.000 1.364 277 D HN -0.007 nan 8.370 nan 0.000 0.577 278 P HA -0.097 nan 4.420 nan 0.000 0.223 278 P C 1.154 178.436 177.300 -0.030 0.000 1.144 278 P CA 0.841 63.907 63.100 -0.057 0.000 0.783 278 P CB 0.146 31.811 31.700 -0.058 0.000 0.771 279 S N -1.592 114.096 115.700 -0.021 0.000 2.562 279 S HA 0.030 4.500 4.470 0.000 0.000 0.221 279 S C 0.885 175.485 174.600 -0.001 0.000 0.975 279 S CA -0.122 58.074 58.200 -0.006 0.000 0.918 279 S CB -1.083 62.115 63.200 -0.003 0.000 0.772 279 S HN 0.040 nan 8.310 nan 0.000 0.531 280 I N 3.465 124.027 120.570 -0.013 0.000 2.598 280 I HA 0.151 4.321 4.170 0.000 0.000 0.284 280 I C 0.574 176.704 176.117 0.021 0.000 1.140 280 I CA -0.333 60.957 61.300 -0.017 0.000 1.420 280 I CB 0.398 38.382 38.000 -0.027 0.000 1.387 280 I HN 0.092 nan 8.210 nan 0.000 0.553 281 R N 5.109 125.642 120.500 0.055 0.000 2.500 281 R HA 0.676 5.016 4.340 0.000 0.000 0.275 281 R C -0.449 175.926 176.300 0.126 0.000 1.051 281 R CA -0.727 55.440 56.100 0.110 0.000 1.088 281 R CB 1.245 31.654 30.300 0.181 0.000 1.063 281 R HN 0.687 nan 8.270 nan 0.000 0.511 282 A N 1.862 124.768 122.820 0.143 0.000 2.310 282 A HA 0.474 4.794 4.320 0.000 0.000 0.304 282 A C -0.679 177.006 177.584 0.169 0.000 1.231 282 A CA -0.687 51.442 52.037 0.153 0.000 0.799 282 A CB 1.060 20.155 19.000 0.160 0.000 1.162 282 A HN 0.354 nan 8.150 nan 0.000 0.486 283 V N 4.206 124.208 119.914 0.148 0.000 2.370 283 V HA 0.434 4.554 4.120 0.000 0.000 0.279 283 V C -0.638 175.514 176.094 0.098 0.000 1.029 283 V CA -0.429 61.947 62.300 0.126 0.000 0.870 283 V CB 0.947 32.835 31.823 0.108 0.000 0.984 283 V HN 0.725 nan 8.190 nan 0.000 0.451 284 L N 5.267 126.543 121.223 0.088 0.000 2.354 284 L HA 0.594 4.934 4.340 0.000 0.000 0.269 284 L C -0.030 176.862 176.870 0.037 0.000 1.005 284 L CA -0.590 54.272 54.840 0.036 0.000 0.819 284 L CB 2.109 44.145 42.059 -0.039 0.000 1.311 284 L HN 0.343 nan 8.230 nan 0.000 0.423 285 V N 2.998 122.925 119.914 0.022 0.000 2.488 285 V HA 0.295 4.415 4.120 0.000 0.000 0.277 285 V C 0.112 176.219 176.094 0.021 0.000 1.046 285 V CA -0.630 61.686 62.300 0.027 0.000 0.986 285 V CB 1.025 32.865 31.823 0.029 0.000 0.989 285 V HN 0.612 nan 8.190 nan 0.000 0.475 286 Q N 5.966 125.784 119.800 0.030 0.000 2.431 286 Q HA 0.318 4.658 4.340 0.000 0.000 0.249 286 Q C -2.544 173.473 176.000 0.029 0.000 1.025 286 Q CA -1.996 53.825 55.803 0.030 0.000 0.835 286 Q CB 1.784 30.545 28.738 0.038 0.000 1.207 286 Q HN 0.471 nan 8.270 nan 0.000 0.490 287 P HA -0.045 nan 4.420 nan 0.000 0.261 287 P C -0.501 176.815 177.300 0.026 0.000 1.203 287 P CA 0.215 63.332 63.100 0.028 0.000 0.767 287 P CB 0.350 32.070 31.700 0.032 0.000 0.785 288 A N 3.819 126.653 122.820 0.023 0.000 2.587 288 A HA -0.044 4.276 4.320 0.000 0.000 0.233 288 A C 0.676 178.272 177.584 0.021 0.000 1.049 288 A CA 0.180 52.229 52.037 0.021 0.000 0.754 288 A CB -0.303 18.708 19.000 0.018 0.000 0.977 288 A HN 0.512 nan 8.150 nan 0.000 0.509 289 Q N 0.806 120.618 119.800 0.020 0.000 2.286 289 Q HA 0.379 4.719 4.340 0.000 0.000 0.290 289 Q C 1.295 177.305 176.000 0.017 0.000 1.049 289 Q CA 2.044 57.858 55.803 0.018 0.000 0.923 289 Q CB 0.196 28.944 28.738 0.017 0.000 1.183 289 Q HN 1.906 nan 8.270 nan 0.000 0.383 290 G N 3.195 112.005 108.800 0.017 0.000 2.284 290 G HA2 -0.221 3.739 3.960 0.000 0.000 0.230 290 G HA3 -0.221 3.739 3.960 0.000 0.000 0.230 290 G C -0.215 174.696 174.900 0.018 0.000 1.021 290 G CA 0.068 45.177 45.100 0.015 0.000 0.619 290 G HN 0.641 nan 8.290 nan 0.000 0.510 291 D N 0.304 120.716 120.400 0.020 0.000 2.253 291 D HA 0.645 5.285 4.640 0.000 0.000 0.249 291 D C -0.202 176.114 176.300 0.027 0.000 1.049 291 D CA 0.327 54.340 54.000 0.022 0.000 0.929 291 D CB 1.642 42.455 40.800 0.020 0.000 1.176 291 D HN 0.154 nan 8.370 nan 0.000 0.437 292 S N 0.983 116.701 115.700 0.031 0.000 2.707 292 S HA 0.531 5.001 4.470 0.000 0.000 0.312 292 S C -0.783 173.841 174.600 0.041 0.000 1.116 292 S CA -0.708 57.517 58.200 0.041 0.000 1.078 292 S CB -0.007 63.220 63.200 0.045 0.000 0.997 292 S HN 0.271 nan 8.310 nan 0.000 0.477 293 I N 6.164 126.758 120.570 0.040 0.000 2.321 293 I HA 0.356 4.526 4.170 0.000 0.000 0.291 293 I C -2.199 173.951 176.117 0.054 0.000 0.998 293 I CA -2.554 58.763 61.300 0.027 0.000 1.227 293 I CB 1.682 39.691 38.000 0.015 0.000 1.368 293 I HN 0.400 nan 8.210 nan 0.000 0.466 294 P HA 0.047 nan 4.420 nan 0.000 0.264 294 P C 0.894 178.288 177.300 0.157 0.000 1.183 294 P CA 0.717 63.907 63.100 0.150 0.000 0.763 294 P CB 0.614 32.482 31.700 0.280 0.000 0.807 295 G N 2.139 111.049 108.800 0.184 0.000 2.217 295 G HA2 -0.226 3.734 3.960 0.000 0.000 0.246 295 G HA3 -0.226 3.734 3.960 0.000 0.000 0.246 295 G C 0.132 175.128 174.900 0.160 0.000 0.990 295 G CA 0.329 45.545 45.100 0.194 0.000 0.627 295 G HN 0.698 nan 8.290 nan 0.000 0.522 296 I N -3.077 117.570 120.570 0.128 0.000 3.042 296 I HA 0.988 5.158 4.170 0.000 0.000 0.310 296 I C -0.348 175.826 176.117 0.094 0.000 1.117 296 I CA -1.829 59.533 61.300 0.104 0.000 1.003 296 I CB 1.956 40.001 38.000 0.074 0.000 1.228 296 I HN 0.049 nan 8.210 nan 0.000 0.443 297 R N 1.433 121.982 120.500 0.082 0.000 2.817 297 R HA 0.580 4.920 4.340 0.000 0.000 0.268 297 R C -1.165 175.163 176.300 0.048 0.000 1.027 297 R CA -1.075 55.069 56.100 0.072 0.000 0.928 297 R CB 2.020 32.377 30.300 0.095 0.000 1.228 297 R HN 0.567 nan 8.270 nan 0.000 0.469 298 R N 0.357 120.881 120.500 0.040 0.000 2.441 298 R HA 0.140 4.480 4.340 0.000 0.000 0.284 298 R C 1.071 177.387 176.300 0.027 0.000 1.070 298 R CA -0.318 55.801 56.100 0.031 0.000 1.047 298 R CB 0.974 31.292 30.300 0.030 0.000 1.016 298 R HN 0.351 nan 8.270 nan 0.000 0.477 299 V N 2.820 122.745 119.914 0.019 0.000 2.317 299 V HA -0.340 3.780 4.120 0.000 0.000 0.251 299 V C 2.406 178.513 176.094 0.022 0.000 1.065 299 V CA 2.369 64.676 62.300 0.013 0.000 1.049 299 V CB -0.752 31.082 31.823 0.019 0.000 0.651 299 V HN 0.897 nan 8.190 nan 0.000 0.450 300 E N 0.244 120.460 120.200 0.027 0.000 2.267 300 E HA -0.284 4.066 4.350 0.000 0.000 0.197 300 E C 2.059 178.666 176.600 0.012 0.000 0.998 300 E CA 1.787 58.200 56.400 0.023 0.000 0.830 300 E CB -0.556 29.158 29.700 0.024 0.000 0.751 300 E HN 0.562 nan 8.360 nan 0.000 0.491 301 T N -0.203 114.357 114.554 0.011 0.000 3.113 301 T HA 0.199 4.549 4.350 0.000 0.000 0.263 301 T C 0.561 175.250 174.700 -0.017 0.000 1.143 301 T CA 1.046 63.146 62.100 -0.001 0.000 1.090 301 T CB -0.416 68.455 68.868 0.005 0.000 0.922 301 T HN 0.531 nan 8.240 nan 0.000 0.521 302 G N 1.054 109.850 108.800 -0.007 0.000 3.400 302 G HA2 0.157 4.117 3.960 0.000 0.000 0.679 302 G HA3 0.157 4.117 3.960 0.000 0.000 0.679 302 G C -1.055 173.847 174.900 0.002 0.000 1.239 302 G CA -0.794 44.296 45.100 -0.016 0.000 1.049 302 G HN 0.432 nan 8.290 nan 0.000 0.539 303 M N 2.450 122.043 119.600 -0.011 0.000 2.365 303 M HA 0.381 4.861 4.480 0.000 0.000 0.287 303 M C 0.657 176.882 176.300 -0.125 0.000 1.154 303 M CA -0.841 54.447 55.300 -0.021 0.000 0.941 303 M CB 2.285 34.891 32.600 0.010 0.000 1.704 303 M HN 0.592 nan 8.290 nan 0.000 0.479 304 L N 3.061 124.099 121.223 -0.309 0.000 2.004 304 L HA 0.152 4.492 4.340 0.000 0.000 0.205 304 L C 1.558 178.119 176.870 -0.514 0.000 1.089 304 L CA 1.980 56.467 54.840 -0.589 0.000 0.756 304 L CB -0.329 40.977 42.059 -1.255 0.000 0.900 304 L HN 0.770 nan 8.230 nan 0.000 0.440 305 W N -0.600 120.608 121.300 -0.153 0.000 2.388 305 W HA -0.132 4.527 4.660 -0.000 0.000 0.294 305 W C 2.478 178.856 176.519 -0.234 0.000 1.212 305 W CA 0.756 57.907 57.345 -0.324 0.000 1.271 305 W CB -0.653 28.574 29.460 -0.388 0.000 1.126 305 W HN 0.281 nan 8.180 nan 0.000 0.535 306 I N 1.658 122.264 120.570 0.059 0.000 2.454 306 I HA -0.280 3.890 4.170 0.000 0.000 0.254 306 I C 1.793 177.934 176.117 0.040 0.000 1.156 306 I CA 1.613 62.919 61.300 0.010 0.000 1.433 306 I CB -0.423 37.516 38.000 -0.102 0.000 1.082 306 I HN -0.144 nan 8.210 nan 0.000 0.432 307 N N -0.590 118.106 118.700 -0.007 0.000 2.402 307 N HA 0.061 4.801 4.740 0.000 0.000 0.174 307 N C 1.690 177.186 175.510 -0.024 0.000 1.027 307 N CA 0.990 54.048 53.050 0.015 0.000 0.891 307 N CB -0.044 38.440 38.487 -0.005 0.000 1.016 307 N HN 0.377 nan 8.380 nan 0.000 0.439 308 M N 0.062 119.600 119.600 -0.104 0.000 2.476 308 M HA 0.092 4.572 4.480 0.000 0.000 0.262 308 M C -0.262 175.932 176.300 -0.176 0.000 1.111 308 M CA 0.364 55.585 55.300 -0.132 0.000 1.127 308 M CB 0.303 32.804 32.600 -0.164 0.000 1.376 308 M HN -0.078 nan 8.290 nan 0.000 0.465 309 L N 0.416 121.523 121.223 -0.193 0.000 2.375 309 L HA 0.206 4.546 4.340 0.000 0.000 0.268 309 L C 0.142 177.032 176.870 0.034 0.000 1.058 309 L CA -0.199 54.537 54.840 -0.174 0.000 0.803 309 L CB 0.482 42.373 42.059 -0.279 0.000 1.212 309 L HN -0.106 nan 8.230 nan 0.000 0.451 310 D N 2.545 123.021 120.400 0.126 0.000 2.508 310 D HA 0.310 4.950 4.640 0.000 0.000 0.224 310 D C -0.611 175.771 176.300 0.137 0.000 1.171 310 D CA 0.048 54.118 54.000 0.117 0.000 1.006 310 D CB -0.485 40.373 40.800 0.097 0.000 1.073 310 D HN 0.364 nan 8.370 nan 0.000 0.513 311 I N -0.929 119.724 120.570 0.138 0.000 2.828 311 I HA 0.575 4.745 4.170 0.000 0.000 0.302 311 I C -0.307 175.879 176.117 0.114 0.000 1.101 311 I CA -1.055 60.331 61.300 0.144 0.000 1.031 311 I CB 2.169 40.312 38.000 0.237 0.000 1.231 311 I HN 0.045 nan 8.210 nan 0.000 0.427 312 S N 3.120 118.865 115.700 0.075 0.000 2.608 312 S HA 0.851 5.321 4.470 0.000 0.000 0.291 312 S C -0.857 173.821 174.600 0.129 0.000 1.146 312 S CA -0.476 57.725 58.200 0.001 0.000 1.043 312 S CB 1.213 64.395 63.200 -0.029 0.000 1.037 312 S HN 0.925 nan 8.310 nan 0.000 0.520 313 Y N -2.208 118.111 120.300 0.031 0.000 2.624 313 Y HA 0.726 5.276 4.550 0.000 0.000 0.334 313 Y C -1.082 174.838 175.900 0.033 0.000 1.155 313 Y CA -1.200 56.922 58.100 0.038 0.000 1.046 313 Y CB 0.606 39.091 38.460 0.041 0.000 1.316 313 Y HN 0.644 nan 8.280 nan 0.000 0.457 314 T N 3.032 117.722 114.554 0.227 0.000 2.856 314 T HA 0.684 5.034 4.350 0.000 0.000 0.283 314 T C -0.600 174.232 174.700 0.220 0.000 1.008 314 T CA -0.738 61.456 62.100 0.156 0.000 0.997 314 T CB 1.417 70.338 68.868 0.090 0.000 0.992 314 T HN 0.654 nan 8.240 nan 0.000 0.454 315 L N 1.892 123.227 121.223 0.185 0.000 2.322 315 L HA 0.785 5.125 4.340 0.000 0.000 0.279 315 L C 0.160 177.081 176.870 0.085 0.000 1.036 315 L CA -1.035 53.892 54.840 0.144 0.000 0.807 315 L CB 1.271 43.420 42.059 0.149 0.000 1.226 315 L HN 0.785 nan 8.230 nan 0.000 0.433 316 A N 2.091 124.951 122.820 0.065 0.000 2.343 316 A HA 0.531 4.851 4.320 0.000 0.000 0.308 316 A C -0.582 177.025 177.584 0.038 0.000 1.092 316 A CA -0.714 51.350 52.037 0.045 0.000 0.751 316 A CB 0.923 19.945 19.000 0.036 0.000 1.203 316 A HN 0.627 nan 8.150 nan 0.000 0.452 317 E N 0.990 121.209 120.200 0.032 0.000 2.376 317 E HA 0.327 4.677 4.350 0.000 0.000 0.266 317 E C -0.696 175.917 176.600 0.023 0.000 1.009 317 E CA 0.301 56.717 56.400 0.027 0.000 0.902 317 E CB 1.213 30.928 29.700 0.024 0.000 0.972 317 E HN 0.337 nan 8.360 nan 0.000 0.439 318 V N 2.588 122.515 119.914 0.022 0.000 2.612 318 V HA 0.165 4.285 4.120 0.000 0.000 0.301 318 V C 0.313 176.417 176.094 0.017 0.000 1.059 318 V CA -0.999 61.312 62.300 0.019 0.000 0.886 318 V CB 1.919 33.754 31.823 0.020 0.000 1.007 318 V HN 0.798 nan 8.190 nan 0.000 0.426 319 T N 1.657 116.219 114.554 0.014 0.000 2.868 319 T HA 0.372 4.722 4.350 0.000 0.000 0.292 319 T C 1.100 175.806 174.700 0.011 0.000 1.028 319 T CA -0.321 61.787 62.100 0.013 0.000 1.059 319 T CB 1.264 70.139 68.868 0.012 0.000 0.991 319 T HN 0.449 nan 8.240 nan 0.000 0.531 320 L N 0.719 121.949 121.223 0.011 0.000 2.043 320 L HA -0.076 4.264 4.340 0.000 0.000 0.212 320 L C 2.626 179.499 176.870 0.004 0.000 1.075 320 L CA 2.164 57.008 54.840 0.007 0.000 0.752 320 L CB -1.075 40.991 42.059 0.012 0.000 0.891 320 L HN 0.989 nan 8.230 nan 0.000 0.432 321 E N -0.683 119.521 120.200 0.007 0.000 2.077 321 E HA -0.266 4.085 4.350 0.000 0.000 0.193 321 E C 2.042 178.645 176.600 0.004 0.000 0.989 321 E CA 1.610 58.014 56.400 0.006 0.000 0.800 321 E CB -0.102 29.602 29.700 0.007 0.000 0.746 321 E HN 0.671 nan 8.360 nan 0.000 0.452 322 E N -0.143 120.060 120.200 0.006 0.000 2.106 322 E HA -0.174 4.176 4.350 0.000 0.000 0.192 322 E C 1.994 178.597 176.600 0.005 0.000 0.984 322 E CA 0.765 57.168 56.400 0.006 0.000 0.806 322 E CB -0.092 29.612 29.700 0.008 0.000 0.750 322 E HN 0.329 nan 8.360 nan 0.000 0.458 323 A N 1.099 123.921 122.820 0.003 0.000 1.902 323 A HA -0.195 4.125 4.320 0.000 0.000 0.217 323 A C 2.099 179.680 177.584 -0.006 0.000 1.181 323 A CA 1.343 53.380 52.037 -0.001 0.000 0.623 323 A CB -0.259 18.736 19.000 -0.008 0.000 0.818 323 A HN 0.124 nan 8.150 nan 0.000 0.443 324 M N -0.428 119.167 119.600 -0.008 0.000 2.254 324 M HA -0.047 4.433 4.480 0.000 0.000 0.265 324 M C 1.784 178.083 176.300 -0.002 0.000 1.066 324 M CA 1.070 56.365 55.300 -0.009 0.000 1.123 324 M CB -1.454 31.142 32.600 -0.006 0.000 1.388 324 M HN 0.532 nan 8.290 nan 0.000 0.425 325 E N 0.432 120.632 120.200 0.001 0.000 2.110 325 E HA -0.132 4.218 4.350 0.000 0.000 0.193 325 E C 2.068 178.671 176.600 0.005 0.000 0.988 325 E CA 1.337 57.739 56.400 0.003 0.000 0.804 325 E CB -0.104 29.598 29.700 0.003 0.000 0.745 325 E HN 0.505 nan 8.360 nan 0.000 0.458 326 A N 0.759 123.583 122.820 0.008 0.000 1.969 326 A HA -0.113 4.207 4.320 0.000 0.000 0.218 326 A C 2.451 180.047 177.584 0.019 0.000 1.169 326 A CA 0.880 52.925 52.037 0.013 0.000 0.635 326 A CB -0.456 18.554 19.000 0.017 0.000 0.810 326 A HN 0.107 nan 8.150 nan 0.000 0.445 327 V N -0.319 119.604 119.914 0.014 0.000 2.295 327 V HA -0.237 3.883 4.120 0.000 0.000 0.246 327 V C 2.580 178.684 176.094 0.016 0.000 1.049 327 V CA 2.062 64.373 62.300 0.018 0.000 1.024 327 V CB -0.752 31.073 31.823 0.004 0.000 0.648 327 V HN 0.381 nan 8.190 nan 0.000 0.447 328 V N -0.220 119.698 119.914 0.008 0.000 2.343 328 V HA -0.291 3.829 4.120 0.000 0.000 0.247 328 V C 2.422 178.522 176.094 0.009 0.000 1.051 328 V CA 2.355 64.657 62.300 0.004 0.000 1.036 328 V CB -0.568 31.255 31.823 -0.001 0.000 0.654 328 V HN 0.645 nan 8.190 nan 0.000 0.451 329 E N -0.027 120.180 120.200 0.010 0.000 2.072 329 E HA -0.180 4.170 4.350 0.000 0.000 0.191 329 E C 2.213 178.822 176.600 0.016 0.000 0.985 329 E CA 1.503 57.909 56.400 0.010 0.000 0.801 329 E CB 0.003 29.708 29.700 0.008 0.000 0.750 329 E HN 0.414 nan 8.360 nan 0.000 0.452 330 V N 1.135 121.064 119.914 0.026 0.000 2.407 330 V HA -0.257 3.863 4.120 0.000 0.000 0.248 330 V C 2.387 178.509 176.094 0.047 0.000 1.055 330 V CA 1.708 64.032 62.300 0.039 0.000 1.049 330 V CB -0.668 31.191 31.823 0.060 0.000 0.662 330 V HN 0.413 nan 8.190 nan 0.000 0.455 331 A N 0.007 122.852 122.820 0.042 0.000 1.902 331 A HA -0.226 4.094 4.320 0.000 0.000 0.217 331 A C 2.373 179.975 177.584 0.029 0.000 1.181 331 A CA 1.883 53.944 52.037 0.040 0.000 0.623 331 A CB -0.443 18.569 19.000 0.020 0.000 0.818 331 A HN 0.510 nan 8.150 nan 0.000 0.443 332 R N -1.025 119.485 120.500 0.018 0.000 2.153 332 R HA -0.008 4.332 4.340 0.000 0.000 0.218 332 R C 2.523 178.830 176.300 0.011 0.000 1.072 332 R CA 1.155 57.262 56.100 0.011 0.000 0.990 332 R CB -0.174 30.129 30.300 0.005 0.000 0.889 332 R HN 0.561 nan 8.270 nan 0.000 0.452 333 S N 0.120 115.827 115.700 0.012 0.000 2.388 333 S HA -0.052 4.418 4.470 0.000 0.000 0.223 333 S C 1.073 175.678 174.600 0.007 0.000 1.034 333 S CA 1.028 59.231 58.200 0.005 0.000 0.963 333 S CB 0.227 63.427 63.200 -0.000 0.000 0.827 333 S HN 0.170 nan 8.310 nan 0.000 0.481 334 D N -0.595 119.818 120.400 0.022 0.000 2.454 334 D HA 0.277 4.917 4.640 0.000 0.000 0.219 334 D C 1.366 177.698 176.300 0.055 0.000 1.081 334 D CA 0.914 54.932 54.000 0.030 0.000 0.867 334 D CB 0.403 41.228 40.800 0.042 0.000 1.054 334 D HN 0.539 nan 8.370 nan 0.000 0.500 335 G N 1.135 109.973 108.800 0.063 0.000 2.143 335 G HA2 -0.249 3.711 3.960 0.000 0.000 0.249 335 G HA3 -0.249 3.711 3.960 0.000 0.000 0.249 335 G C 0.085 175.063 174.900 0.129 0.000 0.981 335 G CA 0.117 45.265 45.100 0.080 0.000 0.665 335 G HN 0.284 nan 8.290 nan 0.000 0.528 336 L N 0.268 121.581 121.223 0.151 0.000 2.334 336 L HA 0.677 5.017 4.340 0.000 0.000 0.276 336 L C 0.174 177.155 176.870 0.186 0.000 1.014 336 L CA -1.301 53.678 54.840 0.232 0.000 0.815 336 L CB 2.235 44.476 42.059 0.304 0.000 1.268 336 L HN -0.100 nan 8.230 nan 0.000 0.428 337 V N 4.427 124.443 119.914 0.171 0.000 2.294 337 V HA 0.314 4.434 4.120 0.000 0.000 0.272 337 V C 0.278 176.390 176.094 0.030 0.000 1.027 337 V CA -0.437 61.923 62.300 0.099 0.000 0.823 337 V CB 0.981 32.883 31.823 0.133 0.000 1.030 337 V HN 0.535 nan 8.190 nan 0.000 0.457 338 I N 1.697 122.331 120.570 0.106 0.000 2.677 338 I HA 0.876 5.046 4.170 0.000 0.000 0.305 338 I C 0.838 177.001 176.117 0.076 0.000 0.988 338 I CA -0.338 61.049 61.300 0.145 0.000 1.260 338 I CB 1.290 39.412 38.000 0.204 0.000 1.410 338 I HN 0.542 nan 8.210 nan 0.000 0.523 339 G N 2.827 111.678 108.800 0.084 0.000 2.599 339 G HA2 0.365 4.325 3.960 0.000 0.000 0.264 339 G HA3 0.365 4.325 3.960 0.000 0.000 0.264 339 G C -1.972 172.845 174.900 -0.139 0.000 1.200 339 G CA -1.164 43.910 45.100 -0.043 0.000 0.896 339 G HN 0.564 nan 8.290 nan 0.000 0.536 340 P HA -0.165 nan 4.420 nan 0.000 0.216 340 P C 2.288 179.524 177.300 -0.108 0.000 1.153 340 P CA 2.269 65.229 63.100 -0.234 0.000 0.858 340 P CB 0.092 31.579 31.700 -0.356 0.000 0.789 341 S N -1.276 114.372 115.700 -0.086 0.000 2.406 341 S HA -0.039 4.431 4.470 0.000 0.000 0.228 341 S C 2.304 176.933 174.600 0.048 0.000 1.020 341 S CA 1.194 59.400 58.200 0.009 0.000 0.965 341 S CB -1.861 61.373 63.200 0.057 0.000 0.798 341 S HN 0.197 nan 8.310 nan 0.000 0.488 342 G N 1.672 110.508 108.800 0.058 0.000 2.421 342 G HA2 0.073 4.033 3.960 0.000 0.000 0.216 342 G HA3 0.073 4.033 3.960 0.000 0.000 0.216 342 G C 1.468 176.408 174.900 0.066 0.000 1.171 342 G CA 0.607 45.760 45.100 0.088 0.000 0.775 342 G HN 0.644 nan 8.290 nan 0.000 0.543 343 G N 1.134 109.957 108.800 0.039 0.000 2.440 343 G HA2 0.013 3.973 3.960 0.000 0.000 0.218 343 G HA3 0.013 3.973 3.960 0.000 0.000 0.218 343 G C 2.053 176.968 174.900 0.025 0.000 1.154 343 G CA 1.600 46.717 45.100 0.028 0.000 0.767 343 G HN 0.659 nan 8.290 nan 0.000 0.552 344 A N 1.175 124.007 122.820 0.020 0.000 1.902 344 A HA 0.251 4.571 4.320 0.000 0.000 0.217 344 A C 2.826 180.432 177.584 0.036 0.000 1.181 344 A CA 2.321 54.373 52.037 0.024 0.000 0.623 344 A CB -0.809 18.204 19.000 0.021 0.000 0.818 344 A HN 0.813 nan 8.150 nan 0.000 0.443 345 A N -0.649 122.202 122.820 0.050 0.000 1.933 345 A HA 0.030 4.350 4.320 0.000 0.000 0.218 345 A C 2.227 179.844 177.584 0.056 0.000 1.175 345 A CA 1.696 53.770 52.037 0.062 0.000 0.628 345 A CB -0.882 18.170 19.000 0.085 0.000 0.814 345 A HN 0.369 nan 8.150 nan 0.000 0.444 346 V N 0.232 120.177 119.914 0.053 0.000 2.295 346 V HA -0.259 3.861 4.120 0.000 0.000 0.246 346 V C 2.593 178.702 176.094 0.025 0.000 1.049 346 V CA 2.495 64.821 62.300 0.043 0.000 1.024 346 V CB -0.596 31.253 31.823 0.044 0.000 0.648 346 V HN 0.629 nan 8.190 nan 0.000 0.447 347 K N 0.865 121.278 120.400 0.022 0.000 2.097 347 K HA -0.079 4.241 4.320 0.000 0.000 0.206 347 K C 2.033 178.641 176.600 0.012 0.000 1.049 347 K CA 1.665 57.961 56.287 0.014 0.000 0.933 347 K CB -0.674 31.834 32.500 0.014 0.000 0.717 347 K HN 0.399 nan 8.250 nan 0.000 0.442 348 A N 0.424 123.257 122.820 0.021 0.000 1.902 348 A HA -0.108 4.212 4.320 0.000 0.000 0.217 348 A C 2.082 179.673 177.584 0.013 0.000 1.181 348 A CA 1.555 53.606 52.037 0.024 0.000 0.623 348 A CB -0.668 18.354 19.000 0.037 0.000 0.818 348 A HN 0.358 nan 8.150 nan 0.000 0.443 349 L N -0.381 120.847 121.223 0.009 0.000 2.093 349 L HA 0.013 4.353 4.340 0.000 0.000 0.208 349 L C 2.633 179.468 176.870 -0.058 0.000 1.085 349 L CA 1.981 56.805 54.840 -0.026 0.000 0.755 349 L CB -0.706 41.345 42.059 -0.012 0.000 0.904 349 L HN 0.330 nan 8.230 nan 0.000 0.435 350 A N -0.671 122.130 122.820 -0.033 0.000 1.902 350 A HA -0.214 4.106 4.320 0.000 0.000 0.217 350 A C 2.343 179.908 177.584 -0.032 0.000 1.181 350 A CA 1.856 53.872 52.037 -0.035 0.000 0.623 350 A CB -0.446 18.544 19.000 -0.017 0.000 0.818 350 A HN 0.482 nan 8.150 nan 0.000 0.443 351 K N -0.658 119.731 120.400 -0.019 0.000 2.025 351 K HA -0.128 4.192 4.320 0.000 0.000 0.207 351 K C 2.133 178.722 176.600 -0.018 0.000 1.049 351 K CA 1.558 57.838 56.287 -0.012 0.000 0.933 351 K CB -0.150 32.350 32.500 0.000 0.000 0.714 351 K HN 0.154 nan 8.250 nan 0.000 0.438 352 K N 0.849 121.236 120.400 -0.022 0.000 2.097 352 K HA -0.068 4.252 4.320 0.000 0.000 0.206 352 K C 1.830 178.399 176.600 -0.052 0.000 1.049 352 K CA 1.363 57.634 56.287 -0.026 0.000 0.933 352 K CB -0.411 32.077 32.500 -0.020 0.000 0.717 352 K HN 0.193 nan 8.250 nan 0.000 0.442 353 A N 0.407 123.176 122.820 -0.085 0.000 1.902 353 A HA -0.085 4.235 4.320 0.000 0.000 0.217 353 A C 2.318 179.869 177.584 -0.054 0.000 1.181 353 A CA 1.987 53.962 52.037 -0.103 0.000 0.623 353 A CB -0.889 18.034 19.000 -0.130 0.000 0.818 353 A HN 0.303 nan 8.150 nan 0.000 0.443 354 A N -0.102 122.695 122.820 -0.038 0.000 1.933 354 A HA -0.152 4.168 4.320 0.000 0.000 0.218 354 A C 1.779 179.354 177.584 -0.015 0.000 1.175 354 A CA 1.533 53.557 52.037 -0.022 0.000 0.628 354 A CB -0.496 18.494 19.000 -0.016 0.000 0.814 354 A HN 0.638 nan 8.150 nan 0.000 0.444 355 E N -1.355 118.836 120.200 -0.014 0.000 2.516 355 E HA 0.195 4.545 4.350 0.000 0.000 0.199 355 E C 1.138 177.736 176.600 -0.004 0.000 1.069 355 E CA 0.275 56.671 56.400 -0.006 0.000 0.876 355 E CB -0.222 29.476 29.700 -0.003 0.000 0.843 355 E HN 0.766 nan 8.360 nan 0.000 0.530 356 G N 1.747 110.543 108.800 -0.008 0.000 2.143 356 G HA2 -0.294 3.666 3.960 0.000 0.000 0.249 356 G HA3 -0.294 3.666 3.960 0.000 0.000 0.249 356 G C 0.651 175.554 174.900 0.006 0.000 0.981 356 G CA 0.466 45.565 45.100 -0.001 0.000 0.665 356 G HN 0.266 nan 8.290 nan 0.000 0.528 357 D N -0.263 120.139 120.400 0.003 0.000 2.234 357 D HA 0.136 4.776 4.640 0.000 0.000 0.205 357 D C 1.437 177.758 176.300 0.035 0.000 0.962 357 D CA 0.593 54.602 54.000 0.016 0.000 0.855 357 D CB 0.068 40.876 40.800 0.013 0.000 0.951 357 D HN 0.535 nan 8.370 nan 0.000 0.500 358 L N 1.463 122.704 121.223 0.029 0.000 2.317 358 L HA 0.282 4.622 4.340 0.000 0.000 0.281 358 L C 0.531 177.475 176.870 0.124 0.000 1.024 358 L CA -0.949 53.942 54.840 0.084 0.000 0.810 358 L CB 1.754 43.790 42.059 -0.038 0.000 1.240 358 L HN -0.206 nan 8.230 nan 0.000 0.427 359 E N 3.006 123.319 120.200 0.189 0.000 2.442 359 E HA 0.081 4.431 4.350 0.000 0.000 0.262 359 E C -2.216 174.526 176.600 0.236 0.000 1.004 359 E CA -1.299 55.201 56.400 0.166 0.000 0.928 359 E CB 0.272 30.050 29.700 0.129 0.000 0.937 359 E HN 0.272 nan 8.360 nan 0.000 0.446 360 P HA 0.248 nan 4.420 nan 0.000 0.271 360 P C 0.095 177.517 177.300 0.203 0.000 1.218 360 P CA 0.053 63.258 63.100 0.175 0.000 0.780 360 P CB 0.938 32.699 31.700 0.100 0.000 0.901 361 G N 1.319 110.274 108.800 0.259 0.000 2.339 361 G HA2 0.037 3.997 3.960 0.000 0.000 0.275 361 G HA3 0.037 3.997 3.960 0.000 0.000 0.275 361 G C -1.969 173.097 174.900 0.278 0.000 1.323 361 G CA -0.692 44.520 45.100 0.187 0.000 0.927 361 G HN 0.421 nan 8.290 nan 0.000 0.486 362 D N 0.410 120.879 120.400 0.115 0.000 2.225 362 D HA 0.580 5.220 4.640 0.000 0.000 0.248 362 D C -1.073 175.187 176.300 -0.067 0.000 1.096 362 D CA 0.510 54.627 54.000 0.195 0.000 0.863 362 D CB 1.449 42.292 40.800 0.070 0.000 1.156 362 D HN 0.251 nan 8.370 nan 0.000 0.450 363 Y N 0.193 120.616 120.300 0.206 0.000 2.391 363 Y HA 0.311 4.861 4.550 0.000 0.000 0.341 363 Y C 0.052 176.061 175.900 0.181 0.000 0.965 363 Y CA -0.951 57.233 58.100 0.140 0.000 1.067 363 Y CB 1.901 40.432 38.460 0.119 0.000 1.199 363 Y HN 0.023 nan 8.280 nan 0.000 0.450 364 V N 4.773 124.804 119.914 0.195 0.000 2.370 364 V HA 0.365 4.485 4.120 0.000 0.000 0.279 364 V C -0.465 175.718 176.094 0.149 0.000 1.029 364 V CA -0.862 61.530 62.300 0.153 0.000 0.870 364 V CB 1.327 33.163 31.823 0.023 0.000 0.984 364 V HN 0.526 nan 8.190 nan 0.000 0.451 365 V N 6.250 126.255 119.914 0.153 0.000 2.383 365 V HA 0.288 4.408 4.120 0.000 0.000 0.275 365 V C 0.162 176.304 176.094 0.081 0.000 1.036 365 V CA -0.541 61.831 62.300 0.120 0.000 0.889 365 V CB 1.729 33.623 31.823 0.118 0.000 0.985 365 V HN 0.613 nan 8.190 nan 0.000 0.459 366 V N 6.341 126.295 119.914 0.066 0.000 2.427 366 V HA 0.171 4.291 4.120 0.000 0.000 0.268 366 V C 0.218 176.333 176.094 0.036 0.000 1.046 366 V CA -0.235 62.066 62.300 0.001 0.000 0.970 366 V CB 1.366 33.137 31.823 -0.087 0.000 1.001 366 V HN 0.608 nan 8.190 nan 0.000 0.476 367 V N 8.935 128.872 119.914 0.038 0.000 2.304 367 V HA 0.209 4.329 4.120 0.000 0.000 0.269 367 V C -1.424 174.746 176.094 0.127 0.000 1.036 367 V CA -1.158 61.214 62.300 0.119 0.000 0.840 367 V CB 1.310 33.244 31.823 0.185 0.000 1.036 367 V HN 0.741 nan 8.190 nan 0.000 0.466 368 P HA -0.064 nan 4.420 nan 0.000 0.218 368 P C -0.036 177.398 177.300 0.224 0.000 1.149 368 P CA 1.219 64.402 63.100 0.138 0.000 0.817 368 P CB 0.233 32.045 31.700 0.186 0.000 0.785 369 D N -4.489 116.087 120.400 0.293 0.000 2.768 369 D HA 0.151 4.791 4.640 0.000 0.000 0.327 369 D C -1.020 175.482 176.300 0.337 0.000 1.302 369 D CA -0.629 53.577 54.000 0.342 0.000 0.897 369 D CB -0.018 40.947 40.800 0.275 0.000 1.420 369 D HN -0.294 nan 8.370 nan 0.000 0.494 370 T N -1.799 112.797 114.554 0.069 0.000 2.845 370 T HA 0.518 4.868 4.350 0.000 0.000 0.288 370 T C 1.317 176.006 174.700 -0.019 0.000 0.980 370 T CA 0.080 61.962 62.100 -0.363 0.000 1.071 370 T CB 0.741 68.985 68.868 -1.041 0.000 0.941 370 T HN 0.524 nan 8.240 nan 0.000 0.487 371 G N 2.938 111.758 108.800 0.033 0.000 2.679 371 G HA2 -0.013 3.947 3.960 0.000 0.000 0.212 371 G HA3 -0.013 3.947 3.960 0.000 0.000 0.212 371 G C 0.996 176.019 174.900 0.203 0.000 1.137 371 G CA -0.093 45.128 45.100 0.201 0.000 0.787 371 G HN 0.737 nan 8.290 nan 0.000 0.534 372 F N 1.179 121.028 119.950 -0.168 0.000 2.236 372 F HA -0.033 4.495 4.527 0.001 0.000 0.302 372 F C 2.540 178.239 175.800 -0.168 0.000 1.073 372 F CA 1.187 59.081 58.000 -0.177 0.000 1.336 372 F CB 0.032 38.877 39.000 -0.258 0.000 1.040 372 F HN 0.127 nan 8.300 nan 0.000 0.507 373 K N -1.463 118.889 120.400 -0.080 0.000 2.217 373 K HA -0.096 4.224 4.320 0.000 0.000 0.202 373 K C 0.080 176.513 176.600 -0.277 0.000 1.051 373 K CA 0.805 56.861 56.287 -0.385 0.000 0.952 373 K CB -0.190 31.710 32.500 -0.999 0.000 0.736 373 K HN 0.210 nan 8.250 nan 0.000 0.453 374 Y N 1.115 121.424 120.300 0.014 0.000 2.832 374 Y HA 0.159 4.708 4.550 -0.000 0.000 0.372 374 Y C 0.896 176.806 175.900 0.017 0.000 1.238 374 Y CA -0.405 57.730 58.100 0.058 0.000 1.713 374 Y CB -0.192 38.308 38.460 0.067 0.000 1.809 374 Y HN -0.061 nan 8.280 nan 0.000 0.472 375 L N -0.449 120.825 121.223 0.086 0.000 2.056 375 L HA -0.217 4.123 4.340 0.000 0.000 0.207 375 L C 2.390 179.288 176.870 0.046 0.000 1.078 375 L CA 1.607 56.466 54.840 0.032 0.000 0.749 375 L CB -0.525 41.531 42.059 -0.005 0.000 0.901 375 L HN 0.503 nan 8.230 nan 0.000 0.433 376 S N 0.304 116.044 115.700 0.067 0.000 2.368 376 S HA -0.164 4.306 4.470 0.000 0.000 0.225 376 S C 1.954 176.593 174.600 0.064 0.000 1.030 376 S CA 1.013 59.248 58.200 0.058 0.000 0.999 376 S CB -0.748 62.490 63.200 0.063 0.000 0.844 376 S HN 0.353 nan 8.310 nan 0.000 0.459 377 L N 0.922 122.204 121.223 0.099 0.000 2.093 377 L HA -0.016 4.324 4.340 0.000 0.000 0.208 377 L C 2.676 179.574 176.870 0.046 0.000 1.085 377 L CA 0.718 55.604 54.840 0.077 0.000 0.755 377 L CB -0.640 41.476 42.059 0.095 0.000 0.904 377 L HN 0.245 nan 8.230 nan 0.000 0.435 378 V N -0.240 119.702 119.914 0.047 0.000 2.295 378 V HA -0.317 3.803 4.120 0.000 0.000 0.246 378 V C 2.477 178.572 176.094 0.001 0.000 1.049 378 V CA 1.932 64.239 62.300 0.013 0.000 1.024 378 V CB -0.448 31.371 31.823 -0.007 0.000 0.648 378 V HN 0.452 nan 8.190 nan 0.000 0.447 379 Q N 1.157 120.960 119.800 0.004 0.000 2.062 379 Q HA -0.263 4.077 4.340 0.000 0.000 0.209 379 Q C 1.882 177.885 176.000 0.004 0.000 0.996 379 Q CA 2.733 58.536 55.803 0.000 0.000 0.859 379 Q CB -0.666 28.075 28.738 0.004 0.000 0.920 379 Q HN 0.767 nan 8.270 nan 0.000 0.415 380 N N -0.736 117.972 118.700 0.013 0.000 2.166 380 N HA -0.160 4.580 4.740 0.000 0.000 0.186 380 N C 1.621 177.136 175.510 0.008 0.000 1.019 380 N CA 0.774 53.831 53.050 0.012 0.000 0.856 380 N CB -0.245 38.253 38.487 0.019 0.000 0.993 380 N HN 0.405 nan 8.380 nan 0.000 0.426 381 A N 1.210 124.034 122.820 0.007 0.000 1.969 381 A HA -0.037 4.283 4.320 0.000 0.000 0.218 381 A C 2.089 179.672 177.584 -0.001 0.000 1.169 381 A CA 0.874 52.913 52.037 0.003 0.000 0.635 381 A CB -0.441 18.560 19.000 0.002 0.000 0.810 381 A HN 0.178 nan 8.150 nan 0.000 0.445 382 L N -0.777 120.444 121.223 -0.004 0.000 2.240 382 L HA -0.092 4.248 4.340 0.000 0.000 0.211 382 L C 2.131 178.998 176.870 -0.004 0.000 1.106 382 L CA 0.827 55.663 54.840 -0.007 0.000 0.793 382 L CB -0.502 41.550 42.059 -0.012 0.000 0.927 382 L HN 0.453 nan 8.230 nan 0.000 0.446 383 E N 0.338 120.537 120.200 -0.002 0.000 2.401 383 E HA -0.071 4.279 4.350 0.000 0.000 0.199 383 E C 1.099 177.699 176.600 -0.000 0.000 1.023 383 E CA 0.499 56.899 56.400 -0.001 0.000 0.859 383 E CB -0.015 29.686 29.700 0.001 0.000 0.780 383 E HN 0.490 nan 8.360 nan 0.000 0.523 384 G N 0.000 108.800 108.800 0.000 0.000 5.446 384 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 384 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 384 G CA 0.000 45.100 45.100 0.001 0.000 0.502 384 G HN 0.000 nan 8.290 nan 0.000 0.925