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 3lwu_1_A DATA FIRST_RESID 2 DATA SEQUENCE TKAIQSSVQV GELATGQALT VPIYSFXGSE NSAPSVYIQA NVHGAEVQGN DATA SEQUENCE AVIYQLXTLL EGYQVLGDIT LAPLANPLGI NQKSGEFTLG RFDPITGVNW DATA SEQUENCE NREYFDHNVD IQNWYAEHQH LTNSELFCAY RSXLVETCQA RLTHSFGIST DATA SEQUENCE GHRLAVNLQA XAHQADIVLD LHTGPKSCKH LYCPEYDIDA ARFFSIPYTL DATA SEQUENCE IIPNSFGGAX DEATFCPWWQ LTEYATSQGR EFSVPVSAFT LELASQERID DATA SEQUENCE LADALEDAKG ILAYLSHRGV IAEKVNPASX ERFGCYLKDY KKFHAPKAGL DATA SEQUENCE IEYCASVGEP LTAGKPLVNI LRIDLYGSEQ AYQAISLPXD CVPILHFASA DATA SEQUENCE SVLQGTELYK VXTNVFPLQP S VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.670 174.700 -0.050 0.000 1.109 2 T CA 0.000 62.090 62.100 -0.017 0.000 1.349 2 T CB 0.000 68.842 68.868 -0.044 0.000 0.612 3 K N 1.491 121.862 120.400 -0.048 0.000 2.296 3 K HA 0.279 4.600 4.320 0.000 0.000 0.200 3 K C 1.121 177.516 176.600 -0.341 0.000 1.048 3 K CA 0.610 56.841 56.287 -0.094 0.000 0.966 3 K CB 0.026 32.581 32.500 0.091 0.000 0.754 3 K HN 0.656 nan 8.250 nan 0.000 0.466 4 A N 2.027 124.469 122.820 -0.630 0.000 2.488 4 A HA 0.175 4.495 4.320 0.000 0.000 0.249 4 A C -0.002 177.434 177.584 -0.248 0.000 1.083 4 A CA -0.183 51.424 52.037 -0.717 0.000 0.768 4 A CB 0.048 18.646 19.000 -0.671 0.000 1.017 4 A HN 0.053 nan 8.150 nan 0.000 0.496 5 I N 2.167 122.632 120.570 -0.174 0.000 2.342 5 I HA 0.221 4.392 4.170 0.000 0.000 0.291 5 I C 0.580 176.663 176.117 -0.056 0.000 1.010 5 I CA 0.037 61.290 61.300 -0.078 0.000 1.308 5 I CB 0.781 38.746 38.000 -0.058 0.000 1.400 5 I HN 0.811 nan 8.210 nan 0.000 0.488 6 Q N 5.339 125.105 119.800 -0.058 0.000 2.278 6 Q HA 0.563 4.903 4.340 0.000 0.000 0.257 6 Q C -0.471 175.431 176.000 -0.164 0.000 0.928 6 Q CA -0.308 55.393 55.803 -0.170 0.000 0.932 6 Q CB 1.254 29.917 28.738 -0.125 0.000 1.221 6 Q HN 0.871 nan 8.270 nan 0.000 0.434 7 S N 1.834 117.408 115.700 -0.210 0.000 2.911 7 S HA 0.854 5.324 4.470 0.000 0.000 0.319 7 S C -0.842 173.665 174.600 -0.156 0.000 1.154 7 S CA -0.406 57.713 58.200 -0.135 0.000 0.857 7 S CB 1.461 64.614 63.200 -0.079 0.000 1.279 7 S HN 0.738 nan 8.310 nan 0.000 0.593 8 S N -0.880 114.762 115.700 -0.096 0.000 2.556 8 S HA 0.757 5.227 4.470 0.000 0.000 0.271 8 S C -1.605 172.967 174.600 -0.047 0.000 1.135 8 S CA -0.716 57.434 58.200 -0.083 0.000 0.858 8 S CB 1.307 64.458 63.200 -0.080 0.000 1.114 8 S HN 0.987 nan 8.310 nan 0.000 0.468 9 V N 2.152 122.046 119.914 -0.035 0.000 2.588 9 V HA 0.514 4.634 4.120 0.000 0.000 0.304 9 V C -0.372 175.710 176.094 -0.021 0.000 1.042 9 V CA -0.598 61.692 62.300 -0.017 0.000 0.877 9 V CB 1.714 33.538 31.823 0.002 0.000 0.996 9 V HN 0.992 nan 8.190 nan 0.000 0.425 10 Q N 2.291 122.080 119.800 -0.019 0.000 2.294 10 Q HA 0.393 4.733 4.340 0.000 0.000 0.257 10 Q C 0.392 176.380 176.000 -0.021 0.000 0.955 10 Q CA -0.266 55.523 55.803 -0.022 0.000 0.936 10 Q CB 1.633 30.359 28.738 -0.019 0.000 1.188 10 Q HN 0.829 nan 8.270 nan 0.000 0.420 11 V N 0.530 120.425 119.914 -0.031 0.000 3.605 11 V HA 0.644 4.765 4.120 0.000 0.000 0.284 11 V C 0.418 176.488 176.094 -0.039 0.000 1.386 11 V CA 0.648 62.926 62.300 -0.037 0.000 1.053 11 V CB 0.288 32.077 31.823 -0.056 0.000 0.857 11 V HN 0.744 nan 8.190 nan 0.000 0.436 12 G N -0.321 108.459 108.800 -0.033 0.000 2.325 12 G HA2 0.494 4.454 3.960 0.000 0.000 0.295 12 G HA3 0.494 4.454 3.960 0.000 0.000 0.295 12 G C -1.916 172.972 174.900 -0.020 0.000 1.274 12 G CA -0.084 45.002 45.100 -0.023 0.000 0.857 12 G HN 0.331 nan 8.290 nan 0.000 0.499 13 E N -0.770 119.423 120.200 -0.011 0.000 2.335 13 E HA 0.525 4.875 4.350 0.000 0.000 0.280 13 E C -1.020 175.579 176.600 -0.001 0.000 0.918 13 E CA -0.667 55.728 56.400 -0.008 0.000 0.765 13 E CB 2.017 31.714 29.700 -0.005 0.000 1.218 13 E HN 0.486 nan 8.360 nan 0.000 0.425 14 L N 2.442 123.663 121.223 -0.002 0.000 2.416 14 L HA 0.462 4.802 4.340 0.000 0.000 0.262 14 L C 1.490 178.363 176.870 0.005 0.000 1.093 14 L CA -0.167 54.675 54.840 0.004 0.000 0.801 14 L CB 1.157 43.216 42.059 0.001 0.000 1.191 14 L HN 0.843 nan 8.230 nan 0.000 0.459 15 A N 0.360 123.185 122.820 0.010 0.000 1.940 15 A HA -0.185 4.135 4.320 0.000 0.000 0.219 15 A C 2.041 179.628 177.584 0.005 0.000 1.176 15 A CA 2.268 54.310 52.037 0.008 0.000 0.631 15 A CB -1.014 17.993 19.000 0.012 0.000 0.814 15 A HN 0.910 nan 8.150 nan 0.000 0.446 16 T N -4.180 110.376 114.554 0.004 0.000 3.113 16 T HA 0.339 4.689 4.350 0.000 0.000 0.263 16 T C 1.447 176.147 174.700 -0.001 0.000 1.143 16 T CA 1.216 63.317 62.100 0.002 0.000 1.090 16 T CB -0.114 68.755 68.868 0.001 0.000 0.922 16 T HN 1.736 nan 8.240 nan 0.000 0.521 17 G N 0.513 109.312 108.800 -0.001 0.000 2.195 17 G HA2 -0.249 3.712 3.960 0.000 0.000 0.224 17 G HA3 -0.249 3.712 3.960 0.000 0.000 0.224 17 G C -0.104 174.793 174.900 -0.006 0.000 0.990 17 G CA 0.023 45.120 45.100 -0.003 0.000 0.639 17 G HN 0.843 nan 8.290 nan 0.000 0.514 18 Q N 1.066 120.862 119.800 -0.006 0.000 2.289 18 Q HA 0.610 4.951 4.340 0.000 0.000 0.273 18 Q C 0.799 176.792 176.000 -0.013 0.000 1.029 18 Q CA 0.353 56.151 55.803 -0.009 0.000 0.896 18 Q CB 0.628 29.361 28.738 -0.009 0.000 1.182 18 Q HN 1.018 nan 8.270 nan 0.000 0.385 19 A N 4.739 127.550 122.820 -0.015 0.000 2.462 19 A HA 0.254 4.574 4.320 0.000 0.000 0.243 19 A C -0.571 176.998 177.584 -0.026 0.000 1.076 19 A CA -0.265 51.761 52.037 -0.019 0.000 0.773 19 A CB 0.218 19.207 19.000 -0.020 0.000 1.010 19 A HN 0.834 nan 8.150 nan 0.000 0.493 20 L N 3.003 124.206 121.223 -0.032 0.000 2.260 20 L HA 0.418 4.758 4.340 0.000 0.000 0.289 20 L C 0.635 177.477 176.870 -0.047 0.000 1.057 20 L CA -0.200 54.612 54.840 -0.047 0.000 0.811 20 L CB 1.065 43.087 42.059 -0.062 0.000 1.184 20 L HN 0.910 nan 8.230 nan 0.000 0.429 21 T N 0.412 114.938 114.554 -0.046 0.000 2.908 21 T HA 0.735 5.085 4.350 0.000 0.000 0.290 21 T C -0.520 174.152 174.700 -0.047 0.000 1.034 21 T CA -0.774 61.300 62.100 -0.043 0.000 1.010 21 T CB 2.205 71.050 68.868 -0.038 0.000 1.068 21 T HN 0.105 nan 8.240 nan 0.000 0.481 22 V N 3.692 123.581 119.914 -0.042 0.000 2.495 22 V HA 0.558 4.679 4.120 0.000 0.000 0.298 22 V C -2.305 173.757 176.094 -0.054 0.000 1.031 22 V CA -2.159 60.119 62.300 -0.037 0.000 0.871 22 V CB 1.784 33.596 31.823 -0.017 0.000 0.988 22 V HN 0.855 nan 8.190 nan 0.000 0.432 23 P HA 0.409 nan 4.420 nan 0.000 0.280 23 P C -1.191 175.980 177.300 -0.215 0.000 1.244 23 P CA -0.199 62.796 63.100 -0.175 0.000 0.784 23 P CB 1.242 32.851 31.700 -0.152 0.000 0.913 24 I N 3.917 124.293 120.570 -0.323 0.000 2.465 24 I HA 0.339 4.510 4.170 0.000 0.000 0.291 24 I C -0.376 175.498 176.117 -0.404 0.000 1.014 24 I CA -0.904 60.271 61.300 -0.208 0.000 1.093 24 I CB 1.235 39.200 38.000 -0.060 0.000 1.267 24 I HN 0.324 nan 8.210 nan 0.000 0.431 25 Y N 2.989 123.305 120.300 0.026 0.000 2.376 25 Y HA 0.466 5.016 4.550 0.000 0.000 0.340 25 Y C 0.453 176.367 175.900 0.022 0.000 0.965 25 Y CA -0.680 57.417 58.100 -0.004 0.000 1.078 25 Y CB 2.164 40.637 38.460 0.023 0.000 1.193 25 Y HN 0.501 nan 8.280 nan 0.000 0.452 26 S N 3.936 119.687 115.700 0.086 0.000 2.605 26 S HA 0.703 5.173 4.470 0.000 0.000 0.308 26 S C -1.159 173.427 174.600 -0.024 0.000 1.113 26 S CA -0.475 57.778 58.200 0.087 0.000 1.049 26 S CB 0.137 63.372 63.200 0.058 0.000 1.001 26 S HN 0.438 nan 8.310 nan 0.000 0.480 30 S N -0.452 115.271 115.700 0.038 0.000 2.528 30 S HA 0.220 4.691 4.470 0.000 0.000 0.219 30 S C 0.451 175.063 174.600 0.019 0.000 0.985 30 S CA 0.400 58.617 58.200 0.029 0.000 0.914 30 S CB 0.321 63.538 63.200 0.027 0.000 0.776 30 S HN 0.529 nan 8.310 nan 0.000 0.526 31 E N 1.661 121.870 120.200 0.015 0.000 2.155 31 E HA 0.338 4.688 4.350 0.000 0.000 0.264 31 E C -0.299 176.308 176.600 0.011 0.000 0.886 31 E CA -0.580 55.825 56.400 0.008 0.000 0.752 31 E CB 1.049 30.748 29.700 -0.001 0.000 1.133 31 E HN 0.193 nan 8.360 nan 0.000 0.414 32 N N 2.088 120.796 118.700 0.013 0.000 2.443 32 N HA -0.163 4.577 4.740 0.000 0.000 0.184 32 N C 1.731 177.247 175.510 0.010 0.000 1.037 32 N CA 0.970 54.029 53.050 0.016 0.000 0.896 32 N CB -0.175 38.322 38.487 0.018 0.000 0.959 32 N HN 0.556 nan 8.380 nan 0.000 0.442 33 S N 0.622 116.324 115.700 0.003 0.000 2.399 33 S HA 0.174 4.644 4.470 0.000 0.000 0.231 33 S C 1.184 175.776 174.600 -0.014 0.000 1.022 33 S CA 0.997 59.194 58.200 -0.005 0.000 0.983 33 S CB -0.134 63.060 63.200 -0.011 0.000 0.803 33 S HN 0.453 nan 8.310 nan 0.000 0.480 34 A N 1.622 124.433 122.820 -0.015 0.000 2.316 34 A HA 0.627 4.947 4.320 0.000 0.000 0.284 34 A C -2.566 175.002 177.584 -0.027 0.000 1.115 34 A CA -1.567 50.451 52.037 -0.031 0.000 0.812 34 A CB 0.014 18.993 19.000 -0.034 0.000 1.064 34 A HN 0.220 nan 8.150 nan 0.000 0.489 35 P HA 0.141 nan 4.420 nan 0.000 0.266 35 P C -0.070 177.222 177.300 -0.014 0.000 1.195 35 P CA 0.144 63.218 63.100 -0.042 0.000 0.768 35 P CB 0.628 32.282 31.700 -0.076 0.000 0.838 36 S N 1.129 116.837 115.700 0.013 0.000 2.690 36 S HA 0.730 5.200 4.470 0.000 0.000 0.291 36 S C -0.442 174.205 174.600 0.077 0.000 1.138 36 S CA -0.707 57.523 58.200 0.049 0.000 1.013 36 S CB 1.051 64.291 63.200 0.067 0.000 1.053 36 S HN 0.183 nan 8.310 nan 0.000 0.539 37 V N 1.807 121.788 119.914 0.112 0.000 2.841 37 V HA 0.514 4.634 4.120 0.000 0.000 0.310 37 V C -1.637 174.583 176.094 0.211 0.000 1.090 37 V CA -0.776 61.614 62.300 0.150 0.000 0.930 37 V CB 1.620 33.510 31.823 0.111 0.000 1.014 37 V HN 0.950 nan 8.190 nan 0.000 0.425 38 Y N 4.988 125.349 120.300 0.102 0.000 2.338 38 Y HA 0.783 5.334 4.550 0.001 0.000 0.333 38 Y C -0.879 175.084 175.900 0.104 0.000 0.968 38 Y CA -0.856 57.303 58.100 0.099 0.000 1.123 38 Y CB 1.495 40.006 38.460 0.085 0.000 1.165 38 Y HN 0.572 nan 8.280 nan 0.000 0.452 39 I N 7.132 127.414 120.570 -0.480 0.000 2.466 39 I HA 0.359 4.529 4.170 0.000 0.000 0.289 39 I C -1.167 174.640 176.117 -0.518 0.000 1.026 39 I CA -0.766 60.337 61.300 -0.328 0.000 1.078 39 I CB 2.004 39.939 38.000 -0.109 0.000 1.249 39 I HN 0.652 nan 8.210 nan 0.000 0.429 40 Q N 5.667 125.256 119.800 -0.352 0.000 2.413 40 Q HA 0.937 5.277 4.340 0.000 0.000 0.276 40 Q C -1.628 174.314 176.000 -0.097 0.000 1.099 40 Q CA -1.024 54.646 55.803 -0.222 0.000 0.814 40 Q CB 3.046 31.719 28.738 -0.109 0.000 1.379 40 Q HN 0.657 nan 8.270 nan 0.000 0.436 41 A N 1.291 124.062 122.820 -0.081 0.000 2.469 41 A HA 0.605 4.926 4.320 0.000 0.000 0.299 41 A C -0.193 177.318 177.584 -0.122 0.000 1.098 41 A CA -0.292 51.688 52.037 -0.095 0.000 0.737 41 A CB 1.254 20.222 19.000 -0.054 0.000 1.312 41 A HN 1.120 nan 8.150 nan 0.000 0.414 42 N N 0.265 118.857 118.700 -0.180 0.000 2.869 42 N HA -0.171 4.569 4.740 0.000 0.000 0.249 42 N C 0.601 176.013 175.510 -0.163 0.000 1.104 42 N CA 0.428 53.392 53.050 -0.144 0.000 0.760 42 N CB -0.919 37.515 38.487 -0.090 0.000 1.108 42 N HN 0.416 nan 8.380 nan 0.000 0.555 43 V N -0.233 119.539 119.914 -0.236 0.000 2.407 43 V HA -0.161 3.959 4.120 0.000 0.000 0.248 43 V C 0.855 176.862 176.094 -0.144 0.000 1.055 43 V CA 1.763 63.934 62.300 -0.215 0.000 1.049 43 V CB -0.442 31.278 31.823 -0.173 0.000 0.662 43 V HN 0.386 nan 8.190 nan 0.000 0.455 44 H N -0.549 118.502 119.070 -0.032 0.000 2.723 44 H HA 0.331 4.887 4.556 0.000 0.000 0.294 44 H C 1.292 176.607 175.328 -0.021 0.000 1.079 44 H CA 0.076 56.173 56.048 0.083 0.000 1.411 44 H CB 1.351 31.195 29.762 0.135 0.000 1.439 44 H HN 0.233 nan 8.280 nan 0.000 0.474 45 G N 2.561 111.421 108.800 0.100 0.000 2.484 45 G HA2 -0.199 3.761 3.960 0.000 0.000 0.218 45 G HA3 -0.199 3.761 3.960 0.000 0.000 0.218 45 G C 1.574 176.420 174.900 -0.089 0.000 1.130 45 G CA 0.616 45.696 45.100 -0.033 0.000 0.784 45 G HN 0.662 nan 8.290 nan 0.000 0.543 46 A N 0.362 123.112 122.820 -0.116 0.000 2.119 46 A HA 0.203 4.523 4.320 0.000 0.000 0.216 46 A C 1.283 178.814 177.584 -0.088 0.000 1.152 46 A CA 0.245 52.171 52.037 -0.186 0.000 0.708 46 A CB 0.014 18.829 19.000 -0.309 0.000 0.805 46 A HN 0.407 nan 8.150 nan 0.000 0.460 47 E N 0.809 120.993 120.200 -0.025 0.000 2.028 47 E HA 0.185 4.535 4.350 0.000 0.000 0.275 47 E C 0.916 177.500 176.600 -0.026 0.000 1.171 47 E CA -0.085 56.316 56.400 0.003 0.000 1.186 47 E CB 0.412 30.152 29.700 0.068 0.000 1.256 47 E HN 0.441 nan 8.360 nan 0.000 0.474 48 V N -0.533 119.360 119.914 -0.036 0.000 3.406 48 V HA -0.147 3.973 4.120 0.000 0.000 0.263 48 V C 2.060 178.138 176.094 -0.026 0.000 1.172 48 V CA 0.710 62.986 62.300 -0.040 0.000 1.140 48 V CB 0.068 31.862 31.823 -0.049 0.000 0.784 48 V HN 0.304 nan 8.190 nan 0.000 0.467 49 Q N 2.449 122.240 119.800 -0.015 0.000 2.170 49 Q HA 0.002 4.342 4.340 0.000 0.000 0.203 49 Q C 2.118 178.118 176.000 0.000 0.000 0.976 49 Q CA 2.223 58.023 55.803 -0.005 0.000 0.858 49 Q CB -1.102 27.638 28.738 0.004 0.000 0.907 49 Q HN 0.616 nan 8.270 nan 0.000 0.433 50 G N 0.516 109.312 108.800 -0.006 0.000 2.475 50 G HA2 -0.307 3.653 3.960 0.000 0.000 0.220 50 G HA3 -0.307 3.653 3.960 0.000 0.000 0.220 50 G C 1.323 176.225 174.900 0.003 0.000 1.125 50 G CA 0.936 46.032 45.100 -0.007 0.000 0.755 50 G HN 0.396 nan 8.290 nan 0.000 0.565 51 N N 1.261 119.962 118.700 0.001 0.000 2.142 51 N HA -0.087 4.653 4.740 0.000 0.000 0.186 51 N C 2.540 178.079 175.510 0.048 0.000 1.023 51 N CA 1.262 54.324 53.050 0.020 0.000 0.852 51 N CB -0.417 38.072 38.487 0.004 0.000 0.998 51 N HN 0.339 nan 8.380 nan 0.000 0.424 52 A N 1.040 123.879 122.820 0.033 0.000 1.930 52 A HA -0.044 4.276 4.320 0.000 0.000 0.217 52 A C 2.546 180.191 177.584 0.101 0.000 1.175 52 A CA 1.030 53.102 52.037 0.059 0.000 0.627 52 A CB -0.658 18.353 19.000 0.018 0.000 0.815 52 A HN 0.094 nan 8.150 nan 0.000 0.443 53 V N 0.265 120.214 119.914 0.059 0.000 2.295 53 V HA -0.278 3.843 4.120 0.000 0.000 0.246 53 V C 2.408 178.527 176.094 0.042 0.000 1.049 53 V CA 2.049 64.377 62.300 0.047 0.000 1.024 53 V CB -0.695 31.145 31.823 0.027 0.000 0.648 53 V HN 0.575 nan 8.190 nan 0.000 0.447 54 I N -1.044 119.552 120.570 0.043 0.000 2.226 54 I HA -0.293 3.877 4.170 0.000 0.000 0.245 54 I C 2.435 178.566 176.117 0.023 0.000 1.100 54 I CA 2.069 63.385 61.300 0.026 0.000 1.374 54 I CB -0.422 37.598 38.000 0.032 0.000 1.057 54 I HN 0.380 nan 8.210 nan 0.000 0.413 55 Y N 1.721 121.993 120.300 -0.046 0.000 2.128 55 Y HA -0.309 4.241 4.550 0.000 0.000 0.284 55 Y C 2.699 178.577 175.900 -0.038 0.000 1.154 55 Y CA 1.686 59.752 58.100 -0.055 0.000 1.149 55 Y CB -0.144 38.290 38.460 -0.043 0.000 0.976 55 Y HN 0.151 nan 8.280 nan 0.000 0.505 56 Q N 0.089 119.910 119.800 0.035 0.000 2.119 56 Q HA -0.076 4.264 4.340 0.000 0.000 0.201 56 Q C 1.144 177.087 176.000 -0.095 0.000 0.972 56 Q CA 0.572 56.352 55.803 -0.038 0.000 0.847 56 Q CB -0.701 28.071 28.738 0.057 0.000 0.903 56 Q HN 0.404 nan 8.270 nan 0.000 0.433 60 L N 1.521 122.695 121.223 -0.081 0.000 2.027 60 L HA 0.122 4.462 4.340 0.000 0.000 0.206 60 L C 2.259 179.179 176.870 0.082 0.000 1.074 60 L CA 1.372 56.234 54.840 0.038 0.000 0.745 60 L CB -0.531 41.598 42.059 0.117 0.000 0.898 60 L HN 0.227 nan 8.230 nan 0.000 0.433 61 L N -0.418 120.763 121.223 -0.071 0.000 2.261 61 L HA -0.183 4.157 4.340 0.000 0.000 0.216 61 L C 2.561 179.374 176.870 -0.094 0.000 1.114 61 L CA 0.632 55.361 54.840 -0.184 0.000 0.777 61 L CB -0.541 41.055 42.059 -0.772 0.000 0.910 61 L HN 0.286 nan 8.230 nan 0.000 0.440 62 E N 0.194 120.387 120.200 -0.011 0.000 2.209 62 E HA -0.165 4.186 4.350 0.000 0.000 0.196 62 E C 2.002 178.596 176.600 -0.009 0.000 0.993 62 E CA 1.346 57.790 56.400 0.074 0.000 0.819 62 E CB -0.243 29.484 29.700 0.045 0.000 0.745 62 E HN 0.526 nan 8.360 nan 0.000 0.477 63 G N -1.000 107.735 108.800 -0.108 0.000 3.126 63 G HA2 0.099 4.059 3.960 0.000 0.000 0.224 63 G HA3 0.099 4.059 3.960 0.000 0.000 0.224 63 G C -0.108 174.556 174.900 -0.392 0.000 1.142 63 G CA -0.263 44.689 45.100 -0.246 0.000 0.759 63 G HN 0.034 nan 8.290 nan 0.000 0.550 64 Y N -0.353 119.911 120.300 -0.061 0.000 2.487 64 Y HA 0.470 5.020 4.550 0.001 0.000 0.337 64 Y C 0.370 176.242 175.900 -0.046 0.000 1.076 64 Y CA -1.146 56.916 58.100 -0.063 0.000 1.115 64 Y CB 1.614 40.017 38.460 -0.094 0.000 1.235 64 Y HN -0.035 nan 8.280 nan 0.000 0.468 65 Q N 1.947 121.825 119.800 0.130 0.000 2.307 65 Q HA 0.417 4.757 4.340 0.000 0.000 0.259 65 Q C -1.478 174.556 176.000 0.056 0.000 0.998 65 Q CA -0.422 55.424 55.803 0.072 0.000 0.923 65 Q CB 0.592 29.358 28.738 0.046 0.000 1.196 65 Q HN 0.570 nan 8.270 nan 0.000 0.416 66 V N 7.202 127.150 119.914 0.056 0.000 2.408 66 V HA 0.044 4.164 4.120 0.000 0.000 0.267 66 V C 0.985 177.099 176.094 0.033 0.000 1.047 66 V CA 0.046 62.368 62.300 0.037 0.000 0.937 66 V CB 0.828 32.697 31.823 0.076 0.000 0.999 66 V HN 0.922 nan 8.190 nan 0.000 0.472 67 L N 3.914 125.140 121.223 0.005 0.000 2.221 67 L HA 0.346 4.686 4.340 0.000 0.000 0.202 67 L C 1.378 178.252 176.870 0.006 0.000 1.074 67 L CA 0.863 55.704 54.840 0.001 0.000 0.795 67 L CB -0.116 41.930 42.059 -0.022 0.000 0.960 67 L HN 0.746 nan 8.230 nan 0.000 0.458 68 G N -0.911 107.890 108.800 0.002 0.000 2.432 68 G HA2 0.333 4.293 3.960 0.000 0.000 0.331 68 G HA3 0.333 4.293 3.960 0.000 0.000 0.331 68 G C -1.248 173.679 174.900 0.045 0.000 1.170 68 G CA -0.500 44.608 45.100 0.014 0.000 0.943 68 G HN -0.140 nan 8.290 nan 0.000 0.483 69 D N 0.024 120.461 120.400 0.062 0.000 2.488 69 D HA 0.144 4.784 4.640 0.000 0.000 0.238 69 D C 0.224 176.591 176.300 0.111 0.000 1.138 69 D CA 0.934 54.992 54.000 0.096 0.000 0.873 69 D CB 1.191 42.047 40.800 0.093 0.000 1.183 69 D HN 0.141 nan 8.370 nan 0.000 0.458 70 I N 1.614 122.277 120.570 0.155 0.000 2.447 70 I HA 0.161 4.332 4.170 0.000 0.000 0.287 70 I C -0.137 176.109 176.117 0.215 0.000 1.023 70 I CA -0.506 60.890 61.300 0.160 0.000 1.083 70 I CB 1.929 39.997 38.000 0.113 0.000 1.245 70 I HN 0.010 nan 8.210 nan 0.000 0.434 71 T N 7.173 121.839 114.554 0.187 0.000 2.792 71 T HA 0.688 5.038 4.350 0.000 0.000 0.280 71 T C -0.465 174.292 174.700 0.094 0.000 0.990 71 T CA -0.467 61.749 62.100 0.193 0.000 0.960 71 T CB 1.310 70.337 68.868 0.265 0.000 0.939 71 T HN 0.177 nan 8.240 nan 0.000 0.439 72 L N 2.350 123.646 121.223 0.122 0.000 2.362 72 L HA 0.777 5.117 4.340 0.000 0.000 0.275 72 L C 0.033 176.943 176.870 0.066 0.000 0.998 72 L CA -0.781 54.088 54.840 0.048 0.000 0.820 72 L CB 1.810 43.958 42.059 0.148 0.000 1.270 72 L HN 0.762 nan 8.230 nan 0.000 0.415 73 A N 4.009 126.789 122.820 -0.066 0.000 2.842 73 A HA 0.723 5.043 4.320 0.000 0.000 0.339 73 A C -2.578 175.010 177.584 0.006 0.000 1.177 73 A CA -1.284 50.752 52.037 -0.000 0.000 0.797 73 A CB -0.164 18.848 19.000 0.020 0.000 1.094 73 A HN 0.360 nan 8.150 nan 0.000 0.474 74 P HA 0.366 nan 4.420 nan 0.000 0.276 74 P C 0.335 177.652 177.300 0.028 0.000 1.261 74 P CA -0.151 62.980 63.100 0.052 0.000 0.800 74 P CB 0.643 32.408 31.700 0.109 0.000 1.066 75 L N -2.003 119.218 121.223 -0.002 0.000 3.660 75 L HA -0.267 4.073 4.340 0.000 0.000 0.440 75 L C 1.263 178.104 176.870 -0.048 0.000 1.262 75 L CA 0.465 55.288 54.840 -0.027 0.000 0.837 75 L CB -2.106 39.949 42.059 -0.008 0.000 1.689 75 L HN 0.463 nan 8.230 nan 0.000 0.890 76 A N -0.466 122.318 122.820 -0.060 0.000 2.208 76 A HA 0.045 4.365 4.320 0.000 0.000 0.209 76 A C 1.132 178.645 177.584 -0.118 0.000 1.161 76 A CA 1.237 53.241 52.037 -0.055 0.000 0.782 76 A CB -0.111 18.879 19.000 -0.017 0.000 0.816 76 A HN 0.581 nan 8.150 nan 0.000 0.477 77 N N -0.432 118.163 118.700 -0.175 0.000 2.750 77 N HA 0.213 4.953 4.740 0.000 0.000 0.253 77 N C -2.285 173.070 175.510 -0.258 0.000 1.408 77 N CA -1.976 50.896 53.050 -0.296 0.000 0.780 77 N CB 1.157 39.373 38.487 -0.453 0.000 1.191 77 N HN -0.058 nan 8.380 nan 0.000 0.511 78 P HA -0.171 nan 4.420 nan 0.000 0.218 78 P C 1.592 178.808 177.300 -0.141 0.000 1.148 78 P CA 0.506 63.526 63.100 -0.134 0.000 0.822 78 P CB 0.631 32.272 31.700 -0.098 0.000 0.784 79 L N 0.510 121.617 121.223 -0.194 0.000 2.017 79 L HA -0.018 4.322 4.340 0.000 0.000 0.208 79 L C 2.521 179.335 176.870 -0.094 0.000 1.073 79 L CA 2.525 57.282 54.840 -0.137 0.000 0.745 79 L CB -1.738 40.223 42.059 -0.164 0.000 0.894 79 L HN -0.030 nan 8.230 nan 0.000 0.432 80 G N -0.561 108.115 108.800 -0.206 0.000 2.402 80 G HA2 -0.216 3.745 3.960 0.000 0.000 0.216 80 G HA3 -0.216 3.745 3.960 0.000 0.000 0.216 80 G C 1.649 176.517 174.900 -0.053 0.000 1.162 80 G CA 1.021 46.099 45.100 -0.036 0.000 0.777 80 G HN 0.472 nan 8.290 nan 0.000 0.539 81 I N 1.111 121.618 120.570 -0.104 0.000 2.286 81 I HA -0.121 4.049 4.170 0.000 0.000 0.248 81 I C 1.748 177.818 176.117 -0.078 0.000 1.115 81 I CA 0.753 61.997 61.300 -0.092 0.000 1.392 81 I CB -0.053 37.892 38.000 -0.092 0.000 1.065 81 I HN 0.056 nan 8.210 nan 0.000 0.418 82 N N 0.582 119.244 118.700 -0.063 0.000 2.398 82 N HA -0.041 4.699 4.740 0.000 0.000 0.188 82 N C 0.512 176.003 175.510 -0.031 0.000 1.122 82 N CA 0.216 53.239 53.050 -0.045 0.000 0.866 82 N CB -0.006 38.458 38.487 -0.037 0.000 0.970 82 N HN 0.293 nan 8.380 nan 0.000 0.462 83 Q N 1.674 121.457 119.800 -0.029 0.000 2.406 83 Q HA 0.147 4.488 4.340 0.000 0.000 0.242 83 Q C -0.806 175.172 176.000 -0.036 0.000 1.036 83 Q CA -0.101 55.696 55.803 -0.009 0.000 0.904 83 Q CB 0.303 29.056 28.738 0.026 0.000 1.244 83 Q HN -0.206 nan 8.270 nan 0.000 0.478 84 K N 1.755 122.146 120.400 -0.015 0.000 2.123 84 K HA 0.528 4.848 4.320 0.000 0.000 0.259 84 K C -0.989 175.634 176.600 0.037 0.000 0.960 84 K CA -0.475 55.808 56.287 -0.007 0.000 0.872 84 K CB 1.988 34.487 32.500 -0.001 0.000 1.079 84 K HN 0.472 nan 8.250 nan 0.000 0.440 85 S N 0.890 116.639 115.700 0.082 0.000 2.737 85 S HA 0.514 4.984 4.470 0.000 0.000 0.269 85 S C 0.020 174.699 174.600 0.132 0.000 1.150 85 S CA 0.394 58.661 58.200 0.111 0.000 1.077 85 S CB 0.109 63.395 63.200 0.144 0.000 1.075 85 S HN 0.933 nan 8.310 nan 0.000 0.476 86 G N 4.544 113.395 108.800 0.086 0.000 2.564 86 G HA2 -0.234 3.726 3.960 0.000 0.000 0.273 86 G HA3 -0.234 3.726 3.960 0.000 0.000 0.273 86 G C -0.329 174.625 174.900 0.091 0.000 1.242 86 G CA 0.371 45.518 45.100 0.078 0.000 0.951 86 G HN 0.767 nan 8.290 nan 0.000 0.564 87 E N -0.037 120.223 120.200 0.099 0.000 2.354 87 E HA 0.536 4.886 4.350 0.000 0.000 0.260 87 E C -0.339 176.365 176.600 0.173 0.000 1.405 87 E CA -0.006 56.451 56.400 0.094 0.000 1.728 87 E CB 0.179 29.918 29.700 0.064 0.000 1.471 87 E HN 0.505 nan 8.360 nan 0.000 0.441 88 F N -0.412 119.524 119.950 -0.024 0.000 2.650 88 F HA 0.249 4.776 4.527 0.000 0.000 0.310 88 F C -0.977 174.802 175.800 -0.035 0.000 1.112 88 F CA -0.754 57.225 58.000 -0.035 0.000 0.986 88 F CB 1.717 40.692 39.000 -0.042 0.000 1.285 88 F HN -0.268 nan 8.300 nan 0.000 0.440 89 T N 6.398 120.461 114.554 -0.819 0.000 2.723 89 T HA 0.255 4.605 4.350 0.000 0.000 0.297 89 T C -0.230 173.974 174.700 -0.827 0.000 0.925 89 T CA -0.146 61.577 62.100 -0.628 0.000 1.030 89 T CB 0.441 69.039 68.868 -0.450 0.000 0.905 89 T HN 0.508 nan 8.240 nan 0.000 0.502 90 L N 4.708 125.736 121.223 -0.325 0.000 2.391 90 L HA 0.446 4.786 4.340 0.000 0.000 0.249 90 L C 1.164 177.899 176.870 -0.226 0.000 1.308 90 L CA 0.290 55.013 54.840 -0.197 0.000 1.209 90 L CB -0.504 41.535 42.059 -0.034 0.000 1.401 90 L HN 0.784 nan 8.230 nan 0.000 0.416 91 G N 1.549 110.206 108.800 -0.239 0.000 3.159 91 G HA2 0.003 3.963 3.960 0.000 0.000 0.232 91 G HA3 0.003 3.963 3.960 0.000 0.000 0.232 91 G C 1.393 176.387 174.900 0.156 0.000 1.116 91 G CA -0.174 44.913 45.100 -0.022 0.000 0.767 91 G HN 0.537 nan 8.290 nan 0.000 0.547 92 R N -0.265 120.156 120.500 -0.133 0.000 2.127 92 R HA 0.213 4.553 4.340 0.000 0.000 0.217 92 R C 0.097 176.377 176.300 -0.034 0.000 1.074 92 R CA 0.643 56.728 56.100 -0.026 0.000 0.991 92 R CB -0.002 30.196 30.300 -0.170 0.000 0.895 92 R HN 0.318 nan 8.270 nan 0.000 0.450 93 F N -1.822 117.974 119.950 -0.257 0.000 2.643 93 F HA 0.382 4.910 4.527 0.001 0.000 0.314 93 F C -0.984 174.245 175.800 -0.952 0.000 1.096 93 F CA -2.339 55.206 58.000 -0.759 0.000 0.953 93 F CB 0.219 38.994 39.000 -0.374 0.000 1.345 93 F HN -0.292 nan 8.300 nan 0.000 0.468 94 D N 3.375 123.091 120.400 -1.140 0.000 2.520 94 D HA 0.091 4.731 4.640 0.000 0.000 0.243 94 D C -1.518 174.769 176.300 -0.022 0.000 1.160 94 D CA -1.590 52.009 54.000 -0.669 0.000 0.877 94 D CB 1.284 41.747 40.800 -0.562 0.000 1.150 94 D HN 0.346 nan 8.370 nan 0.000 0.494 95 P HA -0.057 nan 4.420 nan 0.000 0.226 95 P C 1.635 179.003 177.300 0.113 0.000 1.153 95 P CA 0.656 63.856 63.100 0.167 0.000 0.777 95 P CB 0.408 32.188 31.700 0.134 0.000 0.794 96 I N 0.061 120.670 120.570 0.066 0.000 2.339 96 I HA -0.105 4.066 4.170 0.000 0.000 0.245 96 I C 2.279 178.394 176.117 -0.004 0.000 1.096 96 I CA 2.076 63.397 61.300 0.036 0.000 1.408 96 I CB -0.795 37.228 38.000 0.038 0.000 1.092 96 I HN 0.068 nan 8.210 nan 0.000 0.423 97 T N -3.133 111.396 114.554 -0.042 0.000 2.990 97 T HA 0.325 4.675 4.350 0.000 0.000 0.249 97 T C 1.571 176.184 174.700 -0.146 0.000 1.039 97 T CA 0.546 62.597 62.100 -0.082 0.000 1.036 97 T CB 0.888 69.702 68.868 -0.090 0.000 0.994 97 T HN 0.467 nan 8.240 nan 0.000 0.489 98 G N 1.123 109.815 108.800 -0.180 0.000 2.176 98 G HA2 -0.234 3.726 3.960 0.000 0.000 0.253 98 G HA3 -0.234 3.726 3.960 0.000 0.000 0.253 98 G C 0.076 174.760 174.900 -0.358 0.000 0.979 98 G CA -0.049 44.809 45.100 -0.403 0.000 0.641 98 G HN 0.738 nan 8.290 nan 0.000 0.530 99 V N 2.010 121.770 119.914 -0.257 0.000 2.521 99 V HA 0.258 4.378 4.120 0.000 0.000 0.286 99 V C 1.020 176.960 176.094 -0.257 0.000 1.034 99 V CA -0.612 61.553 62.300 -0.225 0.000 1.045 99 V CB 1.320 33.024 31.823 -0.199 0.000 0.974 99 V HN 0.466 nan 8.190 nan 0.000 0.480 100 N N 3.882 122.525 118.700 -0.095 0.000 2.447 100 N HA -0.014 4.727 4.740 0.000 0.000 0.263 100 N C 0.754 176.312 175.510 0.081 0.000 1.226 100 N CA 0.303 53.376 53.050 0.039 0.000 0.906 100 N CB 0.488 39.060 38.487 0.142 0.000 1.060 100 N HN 0.701 nan 8.380 nan 0.000 0.468 101 W N 2.515 123.939 121.300 0.207 0.000 2.374 101 W HA -0.081 4.580 4.660 0.000 0.000 0.288 101 W C 1.686 178.219 176.519 0.023 0.000 1.218 101 W CA -0.017 57.369 57.345 0.069 0.000 1.245 101 W CB -0.088 29.401 29.460 0.048 0.000 1.126 101 W HN 0.546 nan 8.180 nan 0.000 0.545 102 N N 0.373 119.273 118.700 0.334 0.000 2.434 102 N HA -0.022 4.718 4.740 0.000 0.000 0.196 102 N C 0.873 176.541 175.510 0.264 0.000 1.183 102 N CA 0.503 53.725 53.050 0.286 0.000 0.849 102 N CB -0.056 38.545 38.487 0.190 0.000 0.992 102 N HN -0.067 nan 8.380 nan 0.000 0.460 103 R N -0.316 120.301 120.500 0.195 0.000 2.577 103 R HA 0.217 4.557 4.340 0.000 0.000 0.344 103 R C -0.042 176.350 176.300 0.153 0.000 1.037 103 R CA -0.019 56.162 56.100 0.135 0.000 1.102 103 R CB 0.644 30.997 30.300 0.089 0.000 1.313 103 R HN 0.214 nan 8.270 nan 0.000 0.561 104 E N 0.011 120.287 120.200 0.128 0.000 2.498 104 E HA 0.112 4.462 4.350 0.000 0.000 0.203 104 E C -0.264 176.459 176.600 0.205 0.000 1.013 104 E CA -0.129 56.359 56.400 0.148 0.000 0.927 104 E CB 0.325 30.037 29.700 0.020 0.000 1.012 104 E HN 0.153 nan 8.360 nan 0.000 0.482 105 Y N -0.031 120.447 120.300 0.297 0.000 2.330 105 Y HA 0.114 4.664 4.550 0.000 0.000 0.341 105 Y C 0.402 176.577 175.900 0.458 0.000 1.278 105 Y CA -0.422 57.871 58.100 0.321 0.000 1.453 105 Y CB 0.357 38.956 38.460 0.232 0.000 1.342 105 Y HN -0.110 nan 8.280 nan 0.000 0.590 106 F N 2.440 122.586 119.950 0.328 0.000 2.410 106 F HA 0.243 4.770 4.527 0.000 0.000 0.349 106 F C -0.417 175.275 175.800 -0.181 0.000 1.117 106 F CA -1.470 56.543 58.000 0.020 0.000 1.104 106 F CB 0.465 39.375 39.000 -0.151 0.000 1.122 106 F HN 0.390 nan 8.300 nan 0.000 0.483 107 D N 5.067 124.794 120.400 -1.122 0.000 2.313 107 D HA 0.110 4.751 4.640 0.000 0.000 0.239 107 D C 1.014 176.369 176.300 -1.575 0.000 1.142 107 D CA 0.101 53.170 54.000 -1.552 0.000 0.847 107 D CB 0.371 40.147 40.800 -1.707 0.000 1.082 107 D HN 0.646 nan 8.370 nan 0.000 0.480 108 H N 3.454 121.850 119.070 -1.123 0.000 2.495 108 H HA -0.085 4.471 4.556 0.000 0.000 0.287 108 H C 0.835 175.868 175.328 -0.492 0.000 1.033 108 H CA 1.094 56.640 56.048 -0.838 0.000 1.307 108 H CB -0.130 29.339 29.762 -0.489 0.000 1.401 108 H HN 0.766 nan 8.280 nan 0.000 0.555 109 N N 0.642 119.137 118.700 -0.343 0.000 2.705 109 N HA -0.165 4.575 4.740 0.000 0.000 0.255 109 N C 0.226 175.661 175.510 -0.123 0.000 1.008 109 N CA 0.581 53.506 53.050 -0.208 0.000 0.742 109 N CB -2.528 35.852 38.487 -0.178 0.000 0.906 109 N HN 0.083 nan 8.380 nan 0.000 0.541 110 V N 0.101 119.936 119.914 -0.130 0.000 2.585 110 V HA 0.160 4.281 4.120 0.000 0.000 0.296 110 V C 0.916 176.982 176.094 -0.046 0.000 1.035 110 V CA -0.064 62.174 62.300 -0.103 0.000 1.084 110 V CB 1.466 33.184 31.823 -0.176 0.000 0.953 110 V HN 0.730 nan 8.190 nan 0.000 0.483 111 D N 4.068 124.473 120.400 0.007 0.000 2.383 111 D HA 0.041 4.682 4.640 0.000 0.000 0.245 111 D C 0.602 176.928 176.300 0.043 0.000 1.263 111 D CA -0.188 53.822 54.000 0.017 0.000 0.936 111 D CB 0.771 41.596 40.800 0.043 0.000 1.053 111 D HN 0.431 nan 8.370 nan 0.000 0.507 112 I N 3.701 124.239 120.570 -0.054 0.000 2.406 112 I HA -0.171 3.999 4.170 0.000 0.000 0.249 112 I C 1.952 177.916 176.117 -0.256 0.000 1.122 112 I CA 1.290 62.532 61.300 -0.097 0.000 1.431 112 I CB -0.056 37.829 38.000 -0.192 0.000 1.087 112 I HN 0.424 nan 8.210 nan 0.000 0.424 113 Q N -0.077 119.474 119.800 -0.415 0.000 2.061 113 Q HA -0.259 4.081 4.340 0.000 0.000 0.204 113 Q C 2.062 178.061 176.000 -0.003 0.000 0.984 113 Q CA 2.161 57.727 55.803 -0.394 0.000 0.846 113 Q CB -0.554 28.081 28.738 -0.171 0.000 0.902 113 Q HN 0.581 nan 8.270 nan 0.000 0.421 114 N N -0.113 118.618 118.700 0.051 0.000 2.135 114 N HA -0.181 4.559 4.740 0.000 0.000 0.186 114 N C 1.291 176.906 175.510 0.175 0.000 1.027 114 N CA 1.062 54.175 53.050 0.106 0.000 0.849 114 N CB -0.213 38.328 38.487 0.090 0.000 1.002 114 N HN 0.346 nan 8.380 nan 0.000 0.425 115 W N 0.120 121.483 121.300 0.105 0.000 2.358 115 W HA -0.211 4.449 4.660 0.000 0.000 0.303 115 W C 2.054 178.763 176.519 0.317 0.000 1.208 115 W CA 1.499 58.971 57.345 0.212 0.000 1.274 115 W CB -0.622 28.938 29.460 0.166 0.000 1.138 115 W HN 0.202 nan 8.180 nan 0.000 0.515 116 Y N 0.838 121.369 120.300 0.384 0.000 2.181 116 Y HA -0.185 4.365 4.550 0.000 0.000 0.288 116 Y C 2.341 178.316 175.900 0.125 0.000 1.146 116 Y CA 2.638 60.923 58.100 0.307 0.000 1.164 116 Y CB -0.926 37.755 38.460 0.367 0.000 0.982 116 Y HN -0.021 nan 8.280 nan 0.000 0.515 117 A N 0.136 123.085 122.820 0.215 0.000 1.940 117 A HA -0.235 4.085 4.320 0.000 0.000 0.219 117 A C 2.024 179.553 177.584 -0.092 0.000 1.176 117 A CA 2.033 54.118 52.037 0.080 0.000 0.631 117 A CB -0.704 18.365 19.000 0.115 0.000 0.814 117 A HN 0.625 nan 8.150 nan 0.000 0.446 118 E N -1.859 118.220 120.200 -0.201 0.000 2.427 118 E HA -0.092 4.258 4.350 0.000 0.000 0.196 118 E C 0.569 176.754 176.600 -0.692 0.000 1.028 118 E CA 0.793 56.936 56.400 -0.430 0.000 0.864 118 E CB 0.008 29.362 29.700 -0.575 0.000 0.813 118 E HN 0.879 nan 8.360 nan 0.000 0.514 119 H N -1.512 117.228 119.070 -0.551 0.000 3.230 119 H HA 0.055 4.611 4.556 0.000 0.000 0.259 119 H C 1.399 176.251 175.328 -0.794 0.000 1.195 119 H CA -0.024 55.555 56.048 -0.782 0.000 1.112 119 H CB 0.417 29.528 29.762 -1.084 0.000 1.638 119 H HN 0.097 nan 8.280 nan 0.000 0.624 120 Q N 1.006 120.466 119.800 -0.567 0.000 2.181 120 Q HA -0.235 4.105 4.340 0.000 0.000 0.205 120 Q C 1.241 177.033 176.000 -0.346 0.000 0.980 120 Q CA 2.148 57.602 55.803 -0.583 0.000 0.862 120 Q CB -0.536 27.878 28.738 -0.540 0.000 0.905 120 Q HN 0.759 nan 8.270 nan 0.000 0.429 121 H N 0.035 118.998 119.070 -0.178 0.000 2.489 121 H HA 0.162 4.718 4.556 0.000 0.000 0.293 121 H C 0.573 175.846 175.328 -0.093 0.000 1.066 121 H CA 0.225 56.205 56.048 -0.114 0.000 1.305 121 H CB -0.399 29.299 29.762 -0.108 0.000 1.386 121 H HN 0.119 nan 8.280 nan 0.000 0.551 122 L N 2.406 123.334 121.223 -0.491 0.000 2.467 122 L HA 0.079 4.419 4.340 0.000 0.000 0.270 122 L C 0.951 177.716 176.870 -0.175 0.000 1.205 122 L CA -0.140 54.546 54.840 -0.256 0.000 0.828 122 L CB 0.601 42.489 42.059 -0.286 0.000 1.101 122 L HN 0.449 nan 8.230 nan 0.000 0.479 123 T N -1.416 113.059 114.554 -0.132 0.000 2.734 123 T HA -0.007 4.343 4.350 0.000 0.000 0.314 123 T C 1.110 175.639 174.700 -0.286 0.000 1.057 123 T CA -0.517 61.491 62.100 -0.154 0.000 1.047 123 T CB 0.435 69.230 68.868 -0.122 0.000 0.991 123 T HN 0.524 nan 8.240 nan 0.000 0.540 124 N N 0.811 119.293 118.700 -0.363 0.000 2.094 124 N HA -0.109 4.632 4.740 0.000 0.000 0.191 124 N C 2.199 177.038 175.510 -1.118 0.000 1.023 124 N CA 1.619 54.178 53.050 -0.817 0.000 0.857 124 N CB -0.865 37.218 38.487 -0.672 0.000 1.013 124 N HN 0.652 nan 8.380 nan 0.000 0.426 125 S N 0.544 115.927 115.700 -0.528 0.000 2.383 125 S HA -0.039 4.432 4.470 0.000 0.000 0.227 125 S C 1.598 176.101 174.600 -0.162 0.000 1.026 125 S CA 0.771 58.804 58.200 -0.279 0.000 0.981 125 S CB -0.031 63.110 63.200 -0.098 0.000 0.818 125 S HN 0.313 nan 8.310 nan 0.000 0.472 126 E N 1.069 121.176 120.200 -0.155 0.000 2.107 126 E HA -0.029 4.321 4.350 0.000 0.000 0.191 126 E C 2.087 178.674 176.600 -0.021 0.000 0.982 126 E CA 0.440 56.807 56.400 -0.054 0.000 0.809 126 E CB -0.509 29.161 29.700 -0.049 0.000 0.756 126 E HN 0.346 nan 8.360 nan 0.000 0.459 127 L N 0.465 121.607 121.223 -0.134 0.000 2.017 127 L HA -0.158 4.182 4.340 0.000 0.000 0.208 127 L C 2.121 179.151 176.870 0.268 0.000 1.073 127 L CA 1.481 56.326 54.840 0.008 0.000 0.745 127 L CB -0.520 41.462 42.059 -0.128 0.000 0.894 127 L HN -0.061 nan 8.230 nan 0.000 0.432 128 F N -0.723 119.320 119.950 0.155 0.000 2.126 128 F HA -0.223 4.305 4.527 0.000 0.000 0.299 128 F C 2.736 178.746 175.800 0.351 0.000 1.096 128 F CA 0.927 59.118 58.000 0.320 0.000 1.255 128 F CB -2.030 37.063 39.000 0.156 0.000 0.997 128 F HN 0.197 nan 8.300 nan 0.000 0.479 129 C N 0.154 119.669 119.300 0.359 0.000 2.429 129 C HA -0.064 4.396 4.460 0.000 0.000 0.277 129 C C 3.158 178.293 174.990 0.242 0.000 1.262 129 C CA 0.907 60.080 59.018 0.258 0.000 1.733 129 C CB -1.544 26.290 27.740 0.156 0.000 2.010 129 C HN 0.519 nan 8.230 nan 0.000 0.483 130 A N -0.755 122.214 122.820 0.249 0.000 1.902 130 A HA -0.237 4.083 4.320 0.000 0.000 0.217 130 A C 2.016 179.760 177.584 0.268 0.000 1.181 130 A CA 1.776 53.967 52.037 0.256 0.000 0.623 130 A CB -1.015 18.131 19.000 0.244 0.000 0.818 130 A HN 0.634 nan 8.150 nan 0.000 0.443 131 Y N 0.327 120.678 120.300 0.084 0.000 2.181 131 Y HA -0.212 4.338 4.550 0.000 0.000 0.288 131 Y C 2.576 178.251 175.900 -0.376 0.000 1.146 131 Y CA 2.125 59.948 58.100 -0.461 0.000 1.164 131 Y CB -0.278 37.742 38.460 -0.732 0.000 0.982 131 Y HN 0.375 nan 8.280 nan 0.000 0.515 132 R N 0.212 120.766 120.500 0.090 0.000 2.075 132 R HA -0.064 4.276 4.340 0.000 0.000 0.232 132 R C 1.188 177.470 176.300 -0.030 0.000 1.126 132 R CA 1.020 57.194 56.100 0.124 0.000 0.963 132 R CB -0.422 30.096 30.300 0.363 0.000 0.858 132 R HN 0.214 nan 8.270 nan 0.000 0.435 136 V N 0.937 120.757 119.914 -0.158 0.000 2.295 136 V HA -0.235 3.885 4.120 0.000 0.000 0.246 136 V C 2.187 178.307 176.094 0.044 0.000 1.049 136 V CA 2.508 64.828 62.300 0.033 0.000 1.024 136 V CB -0.408 31.447 31.823 0.052 0.000 0.648 136 V HN 0.395 nan 8.190 nan 0.000 0.447 137 E N 0.536 120.739 120.200 0.006 0.000 2.072 137 E HA -0.189 4.161 4.350 0.000 0.000 0.191 137 E C 2.317 178.928 176.600 0.020 0.000 0.985 137 E CA 1.864 58.271 56.400 0.013 0.000 0.801 137 E CB -0.339 29.366 29.700 0.008 0.000 0.750 137 E HN 0.828 nan 8.360 nan 0.000 0.452 138 T N -1.226 113.361 114.554 0.055 0.000 2.904 138 T HA -0.126 4.224 4.350 0.000 0.000 0.267 138 T C 2.226 176.950 174.700 0.039 0.000 1.059 138 T CA 0.729 62.886 62.100 0.095 0.000 1.137 138 T CB -0.646 68.366 68.868 0.241 0.000 0.879 138 T HN 0.179 nan 8.240 nan 0.000 0.467 139 C N 1.523 120.909 119.300 0.144 0.000 2.462 139 C HA -0.033 4.428 4.460 0.000 0.000 0.278 139 C C 3.026 177.981 174.990 -0.060 0.000 1.253 139 C CA 1.042 60.091 59.018 0.051 0.000 1.713 139 C CB -1.185 26.727 27.740 0.286 0.000 2.049 139 C HN 0.626 nan 8.230 nan 0.000 0.477 140 Q N 0.155 119.952 119.800 -0.006 0.000 2.181 140 Q HA -0.161 4.179 4.340 0.000 0.000 0.205 140 Q C 2.326 178.278 176.000 -0.080 0.000 0.980 140 Q CA 1.786 57.570 55.803 -0.031 0.000 0.862 140 Q CB -0.298 28.436 28.738 -0.006 0.000 0.905 140 Q HN 0.778 nan 8.270 nan 0.000 0.429 141 A N 0.962 123.719 122.820 -0.105 0.000 1.972 141 A HA -0.177 4.143 4.320 0.000 0.000 0.219 141 A C 1.868 179.307 177.584 -0.242 0.000 1.169 141 A CA 0.985 52.925 52.037 -0.162 0.000 0.635 141 A CB -0.277 18.635 19.000 -0.146 0.000 0.810 141 A HN 0.148 nan 8.150 nan 0.000 0.446 142 R N -0.348 120.004 120.500 -0.247 0.000 2.193 142 R HA -0.030 4.310 4.340 0.000 0.000 0.229 142 R C 1.644 177.888 176.300 -0.093 0.000 1.110 142 R CA 0.835 56.817 56.100 -0.197 0.000 0.988 142 R CB -0.723 29.334 30.300 -0.405 0.000 0.871 142 R HN 0.599 nan 8.270 nan 0.000 0.458 143 L N 0.555 121.719 121.223 -0.098 0.000 2.465 143 L HA -0.051 4.289 4.340 0.000 0.000 0.224 143 L C 1.307 178.154 176.870 -0.038 0.000 1.145 143 L CA 1.263 56.075 54.840 -0.048 0.000 0.834 143 L CB -0.209 41.826 42.059 -0.039 0.000 0.944 143 L HN 0.195 nan 8.230 nan 0.000 0.451 144 T N -5.995 108.510 114.554 -0.083 0.000 3.288 144 T HA 0.154 4.505 4.350 0.000 0.000 0.293 144 T C 0.538 175.189 174.700 -0.082 0.000 1.008 144 T CA -0.545 61.514 62.100 -0.069 0.000 0.929 144 T CB -0.223 68.595 68.868 -0.083 0.000 1.152 144 T HN 0.022 nan 8.240 nan 0.000 0.517 145 H N 2.393 121.454 119.070 -0.014 0.000 2.897 145 H HA 0.162 4.718 4.556 0.000 0.000 0.347 145 H C 1.721 177.088 175.328 0.064 0.000 1.068 145 H CA 0.957 57.012 56.048 0.013 0.000 1.426 145 H CB 1.734 31.492 29.762 -0.005 0.000 1.410 145 H HN 0.491 nan 8.280 nan 0.000 0.597 146 S N 2.694 118.546 115.700 0.253 0.000 2.436 146 S HA -0.093 4.377 4.470 0.000 0.000 0.228 146 S C 1.404 176.182 174.600 0.297 0.000 1.014 146 S CA 0.477 58.813 58.200 0.227 0.000 0.950 146 S CB 0.005 63.339 63.200 0.223 0.000 0.784 146 S HN 0.396 nan 8.310 nan 0.000 0.504 147 F N 2.836 122.819 119.950 0.055 0.000 2.773 147 F HA 0.454 4.981 4.527 0.000 0.000 0.304 147 F C 1.731 177.554 175.800 0.038 0.000 1.129 147 F CA -0.305 57.716 58.000 0.034 0.000 1.378 147 F CB -0.314 38.697 39.000 0.018 0.000 1.095 147 F HN 0.501 nan 8.300 nan 0.000 0.565 148 G N 1.358 110.270 108.800 0.186 0.000 2.796 148 G HA2 -0.211 3.750 3.960 0.000 0.000 0.226 148 G HA3 -0.211 3.750 3.960 0.000 0.000 0.226 148 G C -0.551 174.427 174.900 0.130 0.000 1.381 148 G CA -0.299 44.875 45.100 0.124 0.000 0.867 148 G HN 0.523 nan 8.290 nan 0.000 0.552 149 I N -2.857 117.779 120.570 0.110 0.000 3.074 149 I HA 0.816 4.987 4.170 0.000 0.000 0.310 149 I C 0.579 176.780 176.117 0.140 0.000 1.153 149 I CA -0.483 60.898 61.300 0.136 0.000 0.993 149 I CB 2.023 40.095 38.000 0.119 0.000 1.237 149 I HN 1.348 nan 8.210 nan 0.000 0.443 150 S N 1.540 117.351 115.700 0.184 0.000 2.580 150 S HA 0.105 4.575 4.470 0.000 0.000 0.266 150 S C 0.931 175.593 174.600 0.102 0.000 1.354 150 S CA 0.285 58.545 58.200 0.101 0.000 1.008 150 S CB 0.812 64.010 63.200 -0.004 0.000 0.898 150 S HN 0.772 nan 8.310 nan 0.000 0.555 151 T N 2.030 116.644 114.554 0.100 0.000 2.684 151 T HA -0.029 4.321 4.350 0.000 0.000 0.267 151 T C 2.049 176.849 174.700 0.167 0.000 1.036 151 T CA 1.744 63.920 62.100 0.127 0.000 1.148 151 T CB -1.180 67.788 68.868 0.167 0.000 0.863 151 T HN 0.869 nan 8.240 nan 0.000 0.436 152 G N 0.223 109.171 108.800 0.246 0.000 2.402 152 G HA2 -0.197 3.763 3.960 0.000 0.000 0.216 152 G HA3 -0.197 3.763 3.960 0.000 0.000 0.216 152 G C 1.226 176.200 174.900 0.124 0.000 1.162 152 G CA 0.635 45.928 45.100 0.322 0.000 0.777 152 G HN 0.600 nan 8.290 nan 0.000 0.539 153 H N -0.514 118.609 119.070 0.087 0.000 2.387 153 H HA 0.014 4.570 4.556 0.000 0.000 0.299 153 H C 2.681 178.006 175.328 -0.004 0.000 1.090 153 H CA 1.103 57.167 56.048 0.027 0.000 1.332 153 H CB 0.155 29.938 29.762 0.035 0.000 1.386 153 H HN 0.258 nan 8.280 nan 0.000 0.516 154 R N 0.798 121.376 120.500 0.131 0.000 2.073 154 R HA -0.145 4.195 4.340 0.000 0.000 0.234 154 R C 2.234 178.543 176.300 0.015 0.000 1.134 154 R CA 1.259 57.393 56.100 0.056 0.000 0.952 154 R CB -0.299 30.027 30.300 0.044 0.000 0.850 154 R HN 0.250 nan 8.270 nan 0.000 0.433 155 L N 0.904 122.121 121.223 -0.010 0.000 1.990 155 L HA -0.165 4.175 4.340 0.000 0.000 0.213 155 L C 2.317 179.147 176.870 -0.066 0.000 1.072 155 L CA 2.458 57.257 54.840 -0.068 0.000 0.755 155 L CB -0.837 41.126 42.059 -0.160 0.000 0.889 155 L HN 0.279 nan 8.230 nan 0.000 0.432 156 A N -1.185 121.566 122.820 -0.116 0.000 1.877 156 A HA -0.138 4.182 4.320 0.000 0.000 0.216 156 A C 2.280 179.850 177.584 -0.024 0.000 1.186 156 A CA 2.004 53.856 52.037 -0.309 0.000 0.620 156 A CB -1.200 17.447 19.000 -0.589 0.000 0.822 156 A HN 0.345 nan 8.150 nan 0.000 0.443 157 V N 0.600 120.531 119.914 0.028 0.000 2.332 157 V HA -0.313 3.807 4.120 0.000 0.000 0.248 157 V C 2.241 178.374 176.094 0.065 0.000 1.055 157 V CA 2.436 64.775 62.300 0.064 0.000 1.038 157 V CB -1.139 30.681 31.823 -0.004 0.000 0.651 157 V HN 0.657 nan 8.190 nan 0.000 0.450 158 N N -0.214 118.509 118.700 0.037 0.000 2.120 158 N HA -0.106 4.634 4.740 0.000 0.000 0.188 158 N C 1.740 177.278 175.510 0.046 0.000 1.024 158 N CA 1.192 54.261 53.050 0.032 0.000 0.852 158 N CB -0.201 38.295 38.487 0.015 0.000 1.003 158 N HN 0.383 nan 8.380 nan 0.000 0.424 159 L N 0.349 121.622 121.223 0.083 0.000 2.056 159 L HA -0.164 4.176 4.340 0.000 0.000 0.207 159 L C 2.534 179.412 176.870 0.014 0.000 1.078 159 L CA 1.104 56.016 54.840 0.119 0.000 0.749 159 L CB -0.432 41.778 42.059 0.251 0.000 0.901 159 L HN 0.316 nan 8.230 nan 0.000 0.433 160 Q N 0.558 120.426 119.800 0.112 0.000 2.119 160 Q HA -0.054 4.286 4.340 0.000 0.000 0.201 160 Q C 1.336 177.295 176.000 -0.068 0.000 0.972 160 Q CA 0.869 56.678 55.803 0.010 0.000 0.847 160 Q CB 0.114 28.980 28.738 0.215 0.000 0.903 160 Q HN 0.488 nan 8.270 nan 0.000 0.433 164 H N 0.998 120.048 119.070 -0.033 0.000 2.489 164 H HA -0.027 4.529 4.556 0.000 0.000 0.293 164 H C 1.676 177.060 175.328 0.093 0.000 1.066 164 H CA 1.610 57.708 56.048 0.085 0.000 1.305 164 H CB 0.160 29.977 29.762 0.091 0.000 1.386 164 H HN 0.461 nan 8.280 nan 0.000 0.551 165 Q N -0.010 119.880 119.800 0.149 0.000 2.369 165 Q HA 0.119 4.459 4.340 0.000 0.000 0.206 165 Q C 0.859 176.923 176.000 0.105 0.000 0.963 165 Q CA 0.291 56.165 55.803 0.119 0.000 0.894 165 Q CB 0.188 28.974 28.738 0.081 0.000 0.965 165 Q HN 0.292 nan 8.270 nan 0.000 0.475 166 A N 0.686 123.566 122.820 0.100 0.000 2.282 166 A HA 0.231 4.551 4.320 0.000 0.000 0.319 166 A C 0.391 177.998 177.584 0.037 0.000 1.121 166 A CA -0.534 51.562 52.037 0.097 0.000 0.836 166 A CB 0.694 19.793 19.000 0.166 0.000 1.146 166 A HN -0.006 nan 8.150 nan 0.000 0.494 167 D N 0.018 120.422 120.400 0.008 0.000 2.289 167 D HA 0.115 4.756 4.640 0.000 0.000 0.207 167 D C -0.135 176.157 176.300 -0.013 0.000 0.966 167 D CA 1.415 55.370 54.000 -0.075 0.000 0.868 167 D CB 0.275 41.030 40.800 -0.075 0.000 0.943 167 D HN 0.466 nan 8.370 nan 0.000 0.514 168 I N 0.940 121.564 120.570 0.089 0.000 2.534 168 I HA 0.175 4.346 4.170 0.000 0.000 0.288 168 I C -0.959 175.294 176.117 0.226 0.000 1.077 168 I CA -0.660 60.755 61.300 0.192 0.000 1.051 168 I CB 3.072 41.232 38.000 0.267 0.000 1.234 168 I HN -0.405 nan 8.210 nan 0.000 0.425 169 V N 7.229 127.282 119.914 0.230 0.000 2.487 169 V HA 0.506 4.626 4.120 0.000 0.000 0.298 169 V C -0.385 175.864 176.094 0.260 0.000 1.028 169 V CA -0.498 61.955 62.300 0.254 0.000 0.860 169 V CB 2.025 33.968 31.823 0.201 0.000 0.991 169 V HN 0.446 nan 8.190 nan 0.000 0.427 170 L N 3.991 125.350 121.223 0.226 0.000 2.343 170 L HA 0.584 4.925 4.340 0.000 0.000 0.278 170 L C -0.919 176.016 176.870 0.108 0.000 0.996 170 L CA -0.448 54.500 54.840 0.179 0.000 0.831 170 L CB 1.912 44.063 42.059 0.153 0.000 1.232 170 L HN 0.510 nan 8.230 nan 0.000 0.413 171 D N 4.399 124.873 120.400 0.124 0.000 2.373 171 D HA 0.393 5.034 4.640 0.000 0.000 0.227 171 D C -0.716 175.697 176.300 0.187 0.000 1.091 171 D CA -0.158 53.929 54.000 0.145 0.000 0.840 171 D CB 1.132 42.041 40.800 0.182 0.000 1.060 171 D HN 0.308 nan 8.370 nan 0.000 0.502 172 L N 4.883 126.161 121.223 0.092 0.000 2.257 172 L HA 0.393 4.733 4.340 0.000 0.000 0.290 172 L C 0.586 177.466 176.870 0.017 0.000 1.044 172 L CA -0.516 54.362 54.840 0.063 0.000 0.810 172 L CB 0.854 42.912 42.059 -0.001 0.000 1.193 172 L HN 0.364 nan 8.230 nan 0.000 0.425 173 H N 1.121 120.196 119.070 0.008 0.000 2.824 173 H HA 0.610 5.166 4.556 0.001 0.000 0.345 173 H C -0.446 174.899 175.328 0.028 0.000 1.252 173 H CA -0.527 55.549 56.048 0.047 0.000 1.246 173 H CB 2.675 32.489 29.762 0.088 0.000 1.908 173 H HN 0.574 nan 8.280 nan 0.000 0.601 174 T N -1.553 113.118 114.554 0.195 0.000 2.901 174 T HA 0.569 4.919 4.350 0.000 0.000 0.293 174 T C 0.374 175.168 174.700 0.157 0.000 1.084 174 T CA -0.622 61.549 62.100 0.118 0.000 1.008 174 T CB 1.839 70.749 68.868 0.069 0.000 1.170 174 T HN 0.651 nan 8.240 nan 0.000 0.509 175 G N 0.612 109.502 108.800 0.149 0.000 2.531 175 G HA2 0.613 4.573 3.960 0.000 0.000 0.281 175 G HA3 0.613 4.573 3.960 0.000 0.000 0.281 175 G C -1.935 173.011 174.900 0.077 0.000 1.382 175 G CA -1.456 43.750 45.100 0.176 0.000 1.045 175 G HN 0.613 nan 8.290 nan 0.000 0.533 176 P HA 0.135 nan 4.420 nan 0.000 0.200 176 P C -0.146 177.070 177.300 -0.141 0.000 1.204 176 P CA 0.624 63.693 63.100 -0.052 0.000 0.886 176 P CB 0.383 32.038 31.700 -0.074 0.000 0.718 177 K N 0.509 120.719 120.400 -0.316 0.000 2.292 177 K HA 0.548 4.868 4.320 0.000 0.000 0.270 177 K C -0.101 176.283 176.600 -0.359 0.000 1.062 177 K CA 0.007 56.035 56.287 -0.431 0.000 0.916 177 K CB 0.957 32.921 32.500 -0.892 0.000 1.166 177 K HN 0.099 nan 8.250 nan 0.000 0.458 178 S N 1.543 117.156 115.700 -0.145 0.000 2.537 178 S HA 0.424 4.894 4.470 0.000 0.000 0.270 178 S C -0.224 174.407 174.600 0.051 0.000 1.142 178 S CA -0.773 57.416 58.200 -0.018 0.000 0.870 178 S CB 0.559 63.815 63.200 0.093 0.000 1.112 178 S HN 0.734 nan 8.310 nan 0.000 0.466 179 C N 2.570 121.927 119.300 0.096 0.000 2.365 179 C HA 0.708 5.169 4.460 0.000 0.000 0.374 179 C C 0.043 175.181 174.990 0.247 0.000 1.318 179 C CA -0.854 58.247 59.018 0.139 0.000 2.239 179 C CB -0.449 27.371 27.740 0.133 0.000 2.144 179 C HN 0.910 nan 8.230 nan 0.000 0.581 180 K N 2.108 122.632 120.400 0.207 0.000 2.276 180 K HA 0.441 4.761 4.320 0.000 0.000 0.283 180 K C 0.014 176.771 176.600 0.260 0.000 1.044 180 K CA 0.253 56.641 56.287 0.169 0.000 0.944 180 K CB 0.330 32.879 32.500 0.082 0.000 1.012 180 K HN 0.951 nan 8.250 nan 0.000 0.472 181 H N 1.073 120.155 119.070 0.020 0.000 2.990 181 H HA 0.569 5.126 4.556 0.000 0.000 0.343 181 H C -1.787 173.484 175.328 -0.095 0.000 1.270 181 H CA -1.190 54.837 56.048 -0.035 0.000 1.118 181 H CB 1.096 30.806 29.762 -0.086 0.000 1.861 181 H HN 0.373 nan 8.280 nan 0.000 0.544 182 L N 0.717 121.863 121.223 -0.129 0.000 2.422 182 L HA 0.471 4.811 4.340 0.000 0.000 0.264 182 L C -1.902 174.854 176.870 -0.189 0.000 0.984 182 L CA -0.670 54.064 54.840 -0.176 0.000 0.819 182 L CB 1.964 43.904 42.059 -0.198 0.000 1.330 182 L HN 0.587 nan 8.230 nan 0.000 0.410 183 Y N 3.804 124.063 120.300 -0.069 0.000 2.335 183 Y HA 0.563 5.113 4.550 0.000 0.000 0.339 183 Y C -0.108 175.792 175.900 0.000 0.000 0.987 183 Y CA 0.038 58.130 58.100 -0.014 0.000 1.140 183 Y CB 1.673 40.141 38.460 0.013 0.000 1.173 183 Y HN 0.716 nan 8.280 nan 0.000 0.486 184 C N 8.199 127.555 119.300 0.094 0.000 2.397 184 C HA 0.553 5.013 4.460 0.000 0.000 0.325 184 C C -2.578 172.316 174.990 -0.159 0.000 1.201 184 C CA -2.512 56.508 59.018 0.003 0.000 1.377 184 C CB 0.643 28.410 27.740 0.045 0.000 2.038 184 C HN 0.579 nan 8.230 nan 0.000 0.457 185 P HA 0.092 nan 4.420 nan 0.000 0.269 185 P C 0.528 177.547 177.300 -0.468 0.000 1.215 185 P CA 0.671 63.410 63.100 -0.601 0.000 0.780 185 P CB 0.717 31.556 31.700 -1.435 0.000 0.898 186 E N 1.589 121.738 120.200 -0.084 0.000 2.070 186 E HA -0.253 4.097 4.350 0.000 0.000 0.197 186 E C 1.715 178.279 176.600 -0.061 0.000 1.004 186 E CA 1.648 58.109 56.400 0.102 0.000 0.805 186 E CB -0.617 29.356 29.700 0.455 0.000 0.744 186 E HN 0.632 nan 8.360 nan 0.000 0.451 187 Y N -1.024 119.088 120.300 -0.315 0.000 2.569 187 Y HA -0.017 4.533 4.550 0.000 0.000 0.293 187 Y C 1.127 176.896 175.900 -0.219 0.000 1.144 187 Y CA 0.890 58.794 58.100 -0.325 0.000 1.321 187 Y CB 0.050 38.097 38.460 -0.688 0.000 0.982 187 Y HN -0.129 nan 8.280 nan 0.000 0.558 188 D N -0.387 119.637 120.400 -0.627 0.000 2.623 188 D HA 0.079 4.719 4.640 0.000 0.000 0.252 188 D C 1.268 177.509 176.300 -0.097 0.000 1.294 188 D CA -0.115 53.666 54.000 -0.365 0.000 0.824 188 D CB -0.209 40.185 40.800 -0.676 0.000 1.070 188 D HN 0.355 nan 8.370 nan 0.000 0.487 189 I N 0.735 121.264 120.570 -0.068 0.000 2.335 189 I HA -0.205 3.965 4.170 0.000 0.000 0.251 189 I C 1.352 177.494 176.117 0.042 0.000 1.129 189 I CA 1.434 62.733 61.300 -0.001 0.000 1.402 189 I CB 0.074 38.084 38.000 0.017 0.000 1.069 189 I HN -0.101 nan 8.210 nan 0.000 0.424 190 D N 0.639 121.081 120.400 0.070 0.000 2.221 190 D HA -0.124 4.516 4.640 0.000 0.000 0.204 190 D C 2.231 178.642 176.300 0.185 0.000 0.982 190 D CA 1.315 55.377 54.000 0.102 0.000 0.857 190 D CB -0.180 40.700 40.800 0.133 0.000 0.934 190 D HN 0.479 nan 8.370 nan 0.000 0.475 191 A N 0.689 123.648 122.820 0.232 0.000 2.015 191 A HA 0.004 4.324 4.320 0.000 0.000 0.219 191 A C 2.278 179.943 177.584 0.133 0.000 1.163 191 A CA 1.638 53.837 52.037 0.271 0.000 0.646 191 A CB -0.450 18.665 19.000 0.193 0.000 0.806 191 A HN 0.216 nan 8.150 nan 0.000 0.448 192 A N 1.095 123.964 122.820 0.082 0.000 1.978 192 A HA -0.191 4.129 4.320 0.000 0.000 0.220 192 A C 2.125 179.698 177.584 -0.018 0.000 1.170 192 A CA 1.567 53.638 52.037 0.057 0.000 0.636 192 A CB -0.536 18.461 19.000 -0.005 0.000 0.810 192 A HN 0.741 nan 8.150 nan 0.000 0.448 193 R N -1.951 118.456 120.500 -0.155 0.000 2.316 193 R HA 0.051 4.391 4.340 0.000 0.000 0.202 193 R C 1.035 177.033 176.300 -0.505 0.000 1.029 193 R CA 1.288 57.176 56.100 -0.353 0.000 1.018 193 R CB -0.523 29.498 30.300 -0.466 0.000 0.888 193 R HN 0.426 nan 8.270 nan 0.000 0.471 194 F N 0.218 120.012 119.950 -0.260 0.000 2.530 194 F HA 0.267 4.794 4.527 0.000 0.000 0.292 194 F C 0.610 176.178 175.800 -0.387 0.000 1.109 194 F CA -0.279 57.511 58.000 -0.349 0.000 1.450 194 F CB -0.014 38.751 39.000 -0.393 0.000 1.114 194 F HN -0.189 nan 8.300 nan 0.000 0.560 195 F N 0.028 119.950 119.950 -0.047 0.000 2.440 195 F HA 0.186 4.713 4.527 0.000 0.000 0.323 195 F C 1.263 177.001 175.800 -0.104 0.000 1.192 195 F CA -0.334 57.604 58.000 -0.104 0.000 1.252 195 F CB 0.214 39.095 39.000 -0.199 0.000 1.214 195 F HN -0.422 nan 8.300 nan 0.000 0.578 196 S N 2.173 117.946 115.700 0.121 0.000 3.266 196 S HA 0.437 4.907 4.470 0.000 0.000 0.209 196 S C -0.254 174.354 174.600 0.013 0.000 1.409 196 S CA -0.197 58.019 58.200 0.027 0.000 1.179 196 S CB -0.922 62.291 63.200 0.021 0.000 1.218 196 S HN 0.291 nan 8.310 nan 0.000 0.514 197 I N 2.185 122.753 120.570 -0.004 0.000 2.439 197 I HA 0.278 4.449 4.170 0.000 0.000 0.285 197 I C -2.071 173.991 176.117 -0.091 0.000 1.021 197 I CA -2.372 58.911 61.300 -0.028 0.000 1.091 197 I CB 2.569 40.545 38.000 -0.041 0.000 1.242 197 I HN 0.071 nan 8.210 nan 0.000 0.439 198 P HA -0.062 nan 4.420 nan 0.000 0.219 198 P C -0.749 176.213 177.300 -0.564 0.000 1.150 198 P CA 1.302 64.186 63.100 -0.359 0.000 0.814 198 P CB 0.112 31.561 31.700 -0.419 0.000 0.787 199 Y N -1.493 118.815 120.300 0.014 0.000 2.350 199 Y HA 0.460 5.011 4.550 0.000 0.000 0.338 199 Y C 0.220 176.054 175.900 -0.110 0.000 0.961 199 Y CA -0.700 57.373 58.100 -0.046 0.000 1.100 199 Y CB 1.343 39.750 38.460 -0.090 0.000 1.179 199 Y HN -0.404 nan 8.280 nan 0.000 0.454 200 T N 4.945 119.471 114.554 -0.047 0.000 2.807 200 T HA 0.556 4.906 4.350 0.000 0.000 0.279 200 T C -0.511 174.051 174.700 -0.231 0.000 0.993 200 T CA -0.694 61.323 62.100 -0.139 0.000 0.970 200 T CB 0.700 69.496 68.868 -0.121 0.000 0.950 200 T HN 0.367 nan 8.240 nan 0.000 0.441 201 L N 3.825 124.860 121.223 -0.313 0.000 2.264 201 L HA 0.519 4.860 4.340 0.000 0.000 0.289 201 L C -0.118 176.670 176.870 -0.137 0.000 1.044 201 L CA -0.655 53.991 54.840 -0.323 0.000 0.807 201 L CB 0.756 42.470 42.059 -0.575 0.000 1.192 201 L HN 0.526 nan 8.230 nan 0.000 0.425 202 I N 5.445 125.969 120.570 -0.077 0.000 2.301 202 I HA 0.289 4.460 4.170 0.000 0.000 0.292 202 I C 0.220 176.440 176.117 0.171 0.000 1.046 202 I CA -0.342 60.971 61.300 0.021 0.000 1.282 202 I CB 0.622 38.596 38.000 -0.042 0.000 1.409 202 I HN 0.521 nan 8.210 nan 0.000 0.484 203 I N 6.287 126.975 120.570 0.197 0.000 2.498 203 I HA 0.678 4.848 4.170 0.000 0.000 0.301 203 I C -2.498 173.840 176.117 0.369 0.000 0.984 203 I CA -2.212 59.266 61.300 0.296 0.000 1.204 203 I CB 1.765 39.977 38.000 0.353 0.000 1.362 203 I HN 0.237 nan 8.210 nan 0.000 0.471 204 P HA 0.110 nan 4.420 nan 0.000 0.293 204 P C -0.914 176.584 177.300 0.329 0.000 1.304 204 P CA -0.496 62.791 63.100 0.312 0.000 0.767 204 P CB 0.452 32.249 31.700 0.163 0.000 1.247 205 N N -0.107 118.454 118.700 -0.233 0.000 2.605 205 N HA 0.206 4.946 4.740 0.000 0.000 0.258 205 N C -1.204 174.299 175.510 -0.012 0.000 1.156 205 N CA 0.290 53.118 53.050 -0.371 0.000 1.008 205 N CB -1.113 36.572 38.487 -1.336 0.000 1.354 205 N HN 0.217 nan 8.380 nan 0.000 0.509 206 S N 3.177 119.004 115.700 0.212 0.000 2.562 206 S HA 0.356 4.826 4.470 0.000 0.000 0.274 206 S C -1.657 173.037 174.600 0.156 0.000 1.160 206 S CA -0.705 57.584 58.200 0.148 0.000 0.933 206 S CB 0.105 63.381 63.200 0.127 0.000 1.100 206 S HN 0.343 nan 8.310 nan 0.000 0.468 207 F N 4.041 123.995 119.950 0.006 0.000 2.391 207 F HA 0.642 5.169 4.527 0.000 0.000 0.359 207 F C 0.937 176.740 175.800 0.006 0.000 1.122 207 F CA -0.062 57.921 58.000 -0.028 0.000 1.120 207 F CB 1.049 40.018 39.000 -0.052 0.000 1.142 207 F HN 0.672 nan 8.300 nan 0.000 0.483 208 G N 2.497 110.950 108.800 -0.578 0.000 3.969 208 G HA2 0.397 4.357 3.960 0.000 0.000 0.291 208 G HA3 0.397 4.357 3.960 0.000 0.000 0.291 208 G C 0.836 175.457 174.900 -0.463 0.000 1.016 208 G CA 0.016 44.913 45.100 -0.338 0.000 0.819 208 G HN 1.432 nan 8.290 nan 0.000 0.493 209 G N -1.068 107.071 108.800 -1.101 0.000 2.175 209 G HA2 0.131 4.092 3.960 0.000 0.000 0.244 209 G HA3 0.131 4.092 3.960 0.000 0.000 0.244 209 G C 0.654 175.458 174.900 -0.159 0.000 0.982 209 G CA 0.367 45.156 45.100 -0.517 0.000 0.641 209 G HN 1.377 nan 8.290 nan 0.000 0.527 213 E N 1.572 121.426 120.200 -0.578 0.000 2.077 213 E HA 0.048 4.398 4.350 0.000 0.000 0.193 213 E C 2.174 178.525 176.600 -0.415 0.000 0.989 213 E CA 1.688 57.473 56.400 -1.026 0.000 0.800 213 E CB -0.167 29.192 29.700 -0.568 0.000 0.746 213 E HN 0.440 nan 8.360 nan 0.000 0.452 214 A N 0.666 123.436 122.820 -0.083 0.000 1.978 214 A HA -0.197 4.123 4.320 0.000 0.000 0.220 214 A C 2.303 179.980 177.584 0.154 0.000 1.170 214 A CA 1.904 54.088 52.037 0.245 0.000 0.636 214 A CB -0.702 18.450 19.000 0.253 0.000 0.810 214 A HN 0.184 nan 8.150 nan 0.000 0.448 215 T N -0.521 114.041 114.554 0.014 0.000 2.852 215 T HA 0.018 4.369 4.350 0.000 0.000 0.256 215 T C 1.520 176.454 174.700 0.391 0.000 1.038 215 T CA 1.602 63.795 62.100 0.155 0.000 1.141 215 T CB -0.340 68.569 68.868 0.069 0.000 0.869 215 T HN 0.725 nan 8.240 nan 0.000 0.439 216 F N -0.010 120.133 119.950 0.321 0.000 2.530 216 F HA 0.282 4.809 4.527 0.000 0.000 0.292 216 F C 2.274 178.357 175.800 0.471 0.000 1.109 216 F CA -0.760 57.478 58.000 0.397 0.000 1.450 216 F CB -1.439 37.766 39.000 0.342 0.000 1.114 216 F HN 0.080 nan 8.300 nan 0.000 0.560 217 C N 2.085 121.556 119.300 0.284 0.000 2.413 217 C HA -0.108 4.352 4.460 0.000 0.000 0.276 217 C C 0.282 175.462 174.990 0.318 0.000 1.236 217 C CA 1.498 60.740 59.018 0.374 0.000 1.735 217 C CB -1.736 26.106 27.740 0.169 0.000 2.031 217 C HN 0.368 nan 8.230 nan 0.000 0.474 218 P HA -0.120 nan 4.420 nan 0.000 0.216 218 P C 1.001 178.364 177.300 0.104 0.000 1.150 218 P CA 1.522 64.640 63.100 0.031 0.000 0.837 218 P CB -0.211 31.340 31.700 -0.249 0.000 0.786 219 W N -2.064 119.389 121.300 0.254 0.000 2.418 219 W HA -0.066 4.594 4.660 0.000 0.000 0.292 219 W C 2.360 178.956 176.519 0.128 0.000 1.213 219 W CA 0.155 57.583 57.345 0.139 0.000 1.283 219 W CB -1.205 28.292 29.460 0.063 0.000 1.119 219 W HN -0.003 nan 8.180 nan 0.000 0.542 220 W N 1.428 122.854 121.300 0.209 0.000 2.355 220 W HA -0.201 4.460 4.660 0.000 0.000 0.309 220 W C 2.058 178.613 176.519 0.061 0.000 1.206 220 W CA 1.788 59.170 57.345 0.063 0.000 1.284 220 W CB -1.025 28.552 29.460 0.195 0.000 1.145 220 W HN 0.074 nan 8.180 nan 0.000 0.502 221 Q N -0.392 119.591 119.800 0.305 0.000 2.061 221 Q HA -0.252 4.088 4.340 0.000 0.000 0.204 221 Q C 2.201 178.272 176.000 0.119 0.000 0.984 221 Q CA 2.111 57.995 55.803 0.134 0.000 0.846 221 Q CB -0.925 27.855 28.738 0.069 0.000 0.902 221 Q HN 0.195 nan 8.270 nan 0.000 0.421 222 L N 0.362 121.626 121.223 0.068 0.000 2.012 222 L HA -0.188 4.152 4.340 0.000 0.000 0.210 222 L C 2.047 179.011 176.870 0.157 0.000 1.073 222 L CA 2.115 56.966 54.840 0.019 0.000 0.748 222 L CB -0.903 40.948 42.059 -0.347 0.000 0.891 222 L HN 0.158 nan 8.230 nan 0.000 0.431 223 T N -0.579 114.081 114.554 0.178 0.000 2.674 223 T HA -0.188 4.162 4.350 0.000 0.000 0.265 223 T C 1.706 176.352 174.700 -0.089 0.000 1.039 223 T CA 1.770 63.874 62.100 0.006 0.000 1.150 223 T CB -0.302 68.591 68.868 0.041 0.000 0.864 223 T HN 0.453 nan 8.240 nan 0.000 0.427 224 E N -0.072 120.164 120.200 0.060 0.000 2.085 224 E HA -0.164 4.186 4.350 0.000 0.000 0.194 224 E C 1.945 178.519 176.600 -0.043 0.000 0.994 224 E CA 1.191 57.605 56.400 0.022 0.000 0.801 224 E CB -0.275 29.459 29.700 0.058 0.000 0.743 224 E HN 0.547 nan 8.360 nan 0.000 0.453 225 Y N 1.120 121.355 120.300 -0.109 0.000 2.114 225 Y HA -0.258 4.292 4.550 0.000 0.000 0.284 225 Y C 2.270 177.985 175.900 -0.309 0.000 1.143 225 Y CA 1.601 59.592 58.100 -0.183 0.000 1.135 225 Y CB -0.517 37.840 38.460 -0.172 0.000 0.980 225 Y HN 0.010 nan 8.280 nan 0.000 0.499 226 A N -0.678 121.960 122.820 -0.303 0.000 1.892 226 A HA -0.249 4.071 4.320 0.000 0.000 0.218 226 A C 2.238 179.602 177.584 -0.368 0.000 1.188 226 A CA 2.504 54.303 52.037 -0.396 0.000 0.631 226 A CB -1.482 17.494 19.000 -0.040 0.000 0.822 226 A HN 0.527 nan 8.150 nan 0.000 0.447 227 T N 0.563 114.911 114.554 -0.344 0.000 2.737 227 T HA -0.176 4.175 4.350 0.000 0.000 0.269 227 T C 2.175 176.736 174.700 -0.232 0.000 1.040 227 T CA 2.031 63.979 62.100 -0.253 0.000 1.142 227 T CB -0.453 68.298 68.868 -0.196 0.000 0.861 227 T HN 0.834 nan 8.240 nan 0.000 0.456 228 S N 0.849 116.359 115.700 -0.317 0.000 2.515 228 S HA -0.032 4.438 4.470 0.000 0.000 0.231 228 S C 1.513 175.903 174.600 -0.350 0.000 0.987 228 S CA 0.397 58.407 58.200 -0.316 0.000 0.936 228 S CB -0.117 62.875 63.200 -0.346 0.000 0.766 228 S HN 0.342 nan 8.310 nan 0.000 0.528 229 Q N 0.552 120.108 119.800 -0.406 0.000 2.189 229 Q HA 0.339 4.679 4.340 0.000 0.000 0.221 229 Q C 1.184 177.125 176.000 -0.098 0.000 0.848 229 Q CA 0.425 56.080 55.803 -0.246 0.000 1.007 229 Q CB 0.076 28.663 28.738 -0.253 0.000 1.116 229 Q HN 0.714 nan 8.270 nan 0.000 0.481 230 G N 2.167 110.904 108.800 -0.106 0.000 2.155 230 G HA2 -0.344 3.617 3.960 0.000 0.000 0.257 230 G HA3 -0.344 3.617 3.960 0.000 0.000 0.257 230 G C 0.262 175.155 174.900 -0.012 0.000 0.983 230 G CA 0.473 45.544 45.100 -0.048 0.000 0.676 230 G HN 0.333 nan 8.290 nan 0.000 0.528 231 R N 0.737 121.226 120.500 -0.018 0.000 2.278 231 R HA 0.558 4.898 4.340 0.000 0.000 0.322 231 R C 0.226 176.479 176.300 -0.078 0.000 1.058 231 R CA 0.547 56.683 56.100 0.059 0.000 0.991 231 R CB 0.098 30.534 30.300 0.226 0.000 1.140 231 R HN 0.436 nan 8.270 nan 0.000 0.518 232 E N 4.520 124.699 120.200 -0.035 0.000 2.200 232 E HA 0.440 4.790 4.350 0.000 0.000 0.283 232 E C -0.995 175.626 176.600 0.036 0.000 1.015 232 E CA -0.385 55.951 56.400 -0.106 0.000 0.819 232 E CB 0.557 30.239 29.700 -0.030 0.000 1.081 232 E HN 0.522 nan 8.360 nan 0.000 0.397 233 F N -0.926 119.091 119.950 0.113 0.000 2.713 233 F HA 0.700 5.227 4.527 0.000 0.000 0.311 233 F C 0.101 175.952 175.800 0.085 0.000 1.141 233 F CA -1.132 56.949 58.000 0.134 0.000 0.939 233 F CB 0.855 40.009 39.000 0.257 0.000 1.325 233 F HN 0.353 nan 8.300 nan 0.000 0.453 234 S N 0.149 116.055 115.700 0.343 0.000 2.632 234 S HA 0.637 5.107 4.470 0.000 0.000 0.271 234 S C -0.464 174.215 174.600 0.133 0.000 1.260 234 S CA -0.804 57.489 58.200 0.154 0.000 1.010 234 S CB 1.454 64.715 63.200 0.102 0.000 0.965 234 S HN 0.752 nan 8.310 nan 0.000 0.534 235 V N 3.452 123.303 119.914 -0.105 0.000 2.509 235 V HA 0.083 4.203 4.120 0.000 0.000 0.297 235 V C -1.329 174.611 176.094 -0.258 0.000 1.014 235 V CA -0.732 61.407 62.300 -0.269 0.000 1.127 235 V CB -0.100 31.167 31.823 -0.926 0.000 0.925 235 V HN 0.828 nan 8.190 nan 0.000 0.480 236 P HA 0.023 nan 4.420 nan 0.000 0.229 236 P C 0.093 177.021 177.300 -0.620 0.000 1.160 236 P CA 0.651 63.346 63.100 -0.675 0.000 0.777 236 P CB 0.248 31.138 31.700 -1.351 0.000 0.814 237 V N -0.798 118.770 119.914 -0.578 0.000 2.715 237 V HA 0.383 4.503 4.120 0.000 0.000 0.310 237 V C 0.079 176.128 176.094 -0.074 0.000 1.054 237 V CA -0.474 61.575 62.300 -0.419 0.000 0.928 237 V CB 2.144 33.558 31.823 -0.683 0.000 1.007 237 V HN -0.190 nan 8.190 nan 0.000 0.437 238 S N 2.385 118.072 115.700 -0.022 0.000 2.473 238 S HA 0.869 5.339 4.470 0.000 0.000 0.307 238 S C -0.351 174.135 174.600 -0.190 0.000 1.094 238 S CA -0.426 57.727 58.200 -0.078 0.000 1.070 238 S CB 1.667 64.938 63.200 0.118 0.000 1.019 238 S HN 1.092 nan 8.310 nan 0.000 0.480 239 A N 2.771 125.303 122.820 -0.479 0.000 2.422 239 A HA 0.896 5.216 4.320 0.000 0.000 0.302 239 A C -1.507 175.642 177.584 -0.725 0.000 1.041 239 A CA -0.604 51.247 52.037 -0.311 0.000 0.708 239 A CB 0.748 19.836 19.000 0.146 0.000 1.257 239 A HN 0.639 nan 8.150 nan 0.000 0.414 240 F N 0.109 120.072 119.950 0.021 0.000 2.578 240 F HA 0.582 5.110 4.527 0.000 0.000 0.311 240 F C 0.320 176.087 175.800 -0.054 0.000 1.094 240 F CA -0.473 57.478 58.000 -0.080 0.000 0.923 240 F CB 2.792 41.626 39.000 -0.278 0.000 1.230 240 F HN 0.372 nan 8.300 nan 0.000 0.450 241 T N 4.037 118.675 114.554 0.139 0.000 2.756 241 T HA 0.574 4.924 4.350 0.000 0.000 0.290 241 T C -0.624 174.101 174.700 0.041 0.000 0.985 241 T CA -0.439 61.704 62.100 0.072 0.000 0.955 241 T CB 0.550 69.386 68.868 -0.054 0.000 0.930 241 T HN 0.164 nan 8.240 nan 0.000 0.451 242 L N 3.831 125.042 121.223 -0.020 0.000 2.292 242 L HA 0.386 4.726 4.340 0.000 0.000 0.284 242 L C 0.577 177.414 176.870 -0.056 0.000 1.065 242 L CA -0.166 54.606 54.840 -0.113 0.000 0.806 242 L CB 0.833 42.791 42.059 -0.168 0.000 1.175 242 L HN 0.500 nan 8.230 nan 0.000 0.431 243 E N 5.131 125.222 120.200 -0.181 0.000 2.121 243 E HA 0.268 4.618 4.350 0.000 0.000 0.255 243 E C -0.706 175.812 176.600 -0.135 0.000 0.906 243 E CA -0.213 56.051 56.400 -0.226 0.000 0.745 243 E CB 1.213 30.447 29.700 -0.778 0.000 1.155 243 E HN 0.457 nan 8.360 nan 0.000 0.424 244 L N 2.520 123.726 121.223 -0.028 0.000 2.536 244 L HA 0.313 4.653 4.340 0.000 0.000 0.242 244 L C 0.932 177.818 176.870 0.027 0.000 1.280 244 L CA -0.141 54.699 54.840 -0.000 0.000 1.221 244 L CB -0.668 41.394 42.059 0.005 0.000 1.449 244 L HN 0.653 nan 8.230 nan 0.000 0.405 245 A N 0.828 123.678 122.820 0.050 0.000 5.581 245 A HA -0.226 4.095 4.320 0.000 0.000 0.286 245 A C 0.482 178.095 177.584 0.048 0.000 2.048 245 A CA 0.862 52.937 52.037 0.062 0.000 0.715 245 A CB -1.450 17.576 19.000 0.043 0.000 1.192 245 A HN 0.445 nan 8.150 nan 0.000 0.364 246 S N 1.474 117.186 115.700 0.019 0.000 2.616 246 S HA 0.521 4.991 4.470 0.000 0.000 0.277 246 S C 0.441 175.043 174.600 0.003 0.000 1.234 246 S CA 0.112 58.311 58.200 -0.003 0.000 1.028 246 S CB 1.320 64.498 63.200 -0.036 0.000 0.988 246 S HN 0.922 nan 8.310 nan 0.000 0.522 247 Q N 1.214 121.015 119.800 0.002 0.000 2.584 247 Q HA 0.195 4.535 4.340 0.000 0.000 0.218 247 Q C -0.677 175.314 176.000 -0.015 0.000 1.079 247 Q CA -0.344 55.458 55.803 -0.002 0.000 1.008 247 Q CB 0.113 28.854 28.738 0.004 0.000 1.267 247 Q HN 0.526 nan 8.270 nan 0.000 0.586 248 E N -0.604 119.574 120.200 -0.037 0.000 2.440 248 E HA -0.245 4.105 4.350 0.000 0.000 0.246 248 E C -0.795 175.790 176.600 -0.024 0.000 1.165 248 E CA 1.330 57.706 56.400 -0.041 0.000 0.726 248 E CB -1.204 28.488 29.700 -0.013 0.000 1.271 248 E HN 0.699 nan 8.360 nan 0.000 0.397 249 R N 0.372 120.858 120.500 -0.023 0.000 2.584 249 R HA 0.478 4.819 4.340 0.000 0.000 0.276 249 R C -1.224 175.065 176.300 -0.018 0.000 1.046 249 R CA -0.721 55.369 56.100 -0.016 0.000 0.906 249 R CB 1.128 31.422 30.300 -0.010 0.000 1.215 249 R HN -0.035 nan 8.270 nan 0.000 0.449 250 I N 3.425 123.983 120.570 -0.020 0.000 2.418 250 I HA 0.332 4.502 4.170 0.000 0.000 0.287 250 I C -1.005 175.102 176.117 -0.016 0.000 1.008 250 I CA -0.410 60.877 61.300 -0.023 0.000 1.104 250 I CB 1.773 39.751 38.000 -0.037 0.000 1.264 250 I HN 0.647 nan 8.210 nan 0.000 0.438 251 D N 7.014 127.410 120.400 -0.008 0.000 2.479 251 D HA 0.164 4.804 4.640 0.000 0.000 0.246 251 D C 0.484 176.788 176.300 0.007 0.000 1.336 251 D CA -0.420 53.580 54.000 -0.001 0.000 0.967 251 D CB 1.734 42.537 40.800 0.005 0.000 1.275 251 D HN 0.165 nan 8.370 nan 0.000 0.577 252 L N 2.662 123.888 121.223 0.005 0.000 2.109 252 L HA -0.018 4.322 4.340 0.000 0.000 0.207 252 L C 2.358 179.251 176.870 0.038 0.000 1.086 252 L CA 1.370 56.225 54.840 0.025 0.000 0.760 252 L CB -1.199 40.870 42.059 0.016 0.000 0.910 252 L HN 0.513 nan 8.230 nan 0.000 0.437 253 A N -0.369 122.468 122.820 0.027 0.000 1.902 253 A HA -0.251 4.069 4.320 0.000 0.000 0.217 253 A C 2.102 179.702 177.584 0.027 0.000 1.181 253 A CA 1.910 53.964 52.037 0.028 0.000 0.623 253 A CB -0.565 18.448 19.000 0.021 0.000 0.818 253 A HN 0.372 nan 8.150 nan 0.000 0.443 254 D N -0.366 120.048 120.400 0.024 0.000 2.178 254 D HA 0.033 4.673 4.640 0.000 0.000 0.202 254 D C 2.026 178.343 176.300 0.028 0.000 0.974 254 D CA 1.283 55.297 54.000 0.024 0.000 0.841 254 D CB -0.171 40.642 40.800 0.022 0.000 0.953 254 D HN 0.328 nan 8.370 nan 0.000 0.478 255 A N 0.036 122.876 122.820 0.032 0.000 1.969 255 A HA -0.085 4.235 4.320 0.000 0.000 0.218 255 A C 2.090 179.699 177.584 0.041 0.000 1.169 255 A CA 0.974 53.033 52.037 0.038 0.000 0.635 255 A CB -0.648 18.381 19.000 0.049 0.000 0.810 255 A HN 0.353 nan 8.150 nan 0.000 0.445 256 L N -0.036 121.213 121.223 0.043 0.000 2.056 256 L HA -0.123 4.218 4.340 0.000 0.000 0.207 256 L C 2.155 179.041 176.870 0.028 0.000 1.078 256 L CA 2.203 57.066 54.840 0.038 0.000 0.749 256 L CB -0.589 41.494 42.059 0.040 0.000 0.901 256 L HN 0.349 nan 8.230 nan 0.000 0.433 257 E N 0.044 120.259 120.200 0.026 0.000 2.077 257 E HA -0.209 4.142 4.350 0.000 0.000 0.193 257 E C 1.885 178.500 176.600 0.025 0.000 0.989 257 E CA 1.438 57.851 56.400 0.021 0.000 0.800 257 E CB -0.503 29.209 29.700 0.019 0.000 0.746 257 E HN 0.606 nan 8.360 nan 0.000 0.452 258 D N 0.922 121.340 120.400 0.030 0.000 2.117 258 D HA -0.104 4.537 4.640 0.000 0.000 0.197 258 D C 1.902 178.229 176.300 0.046 0.000 0.987 258 D CA 1.447 55.471 54.000 0.039 0.000 0.829 258 D CB -0.282 40.537 40.800 0.031 0.000 0.961 258 D HN 0.158 nan 8.370 nan 0.000 0.460 259 A N 1.390 124.228 122.820 0.030 0.000 1.902 259 A HA -0.222 4.099 4.320 0.000 0.000 0.217 259 A C 2.086 179.669 177.584 -0.001 0.000 1.181 259 A CA 1.549 53.595 52.037 0.015 0.000 0.623 259 A CB -0.446 18.556 19.000 0.004 0.000 0.818 259 A HN 0.145 nan 8.150 nan 0.000 0.443 260 K N -0.796 119.605 120.400 0.001 0.000 2.103 260 K HA -0.113 4.207 4.320 0.000 0.000 0.207 260 K C 2.087 178.674 176.600 -0.023 0.000 1.048 260 K CA 1.118 57.395 56.287 -0.017 0.000 0.930 260 K CB -0.422 32.077 32.500 -0.001 0.000 0.716 260 K HN 0.487 nan 8.250 nan 0.000 0.444 261 G N 1.397 110.204 108.800 0.012 0.000 2.402 261 G HA2 -0.210 3.751 3.960 0.000 0.000 0.216 261 G HA3 -0.210 3.751 3.960 0.000 0.000 0.216 261 G C 1.505 176.409 174.900 0.007 0.000 1.162 261 G CA 0.547 45.660 45.100 0.022 0.000 0.777 261 G HN 0.127 nan 8.290 nan 0.000 0.539 262 I N 0.390 121.018 120.570 0.097 0.000 2.163 262 I HA -0.188 3.982 4.170 0.000 0.000 0.243 262 I C 2.717 178.813 176.117 -0.034 0.000 1.085 262 I CA 0.847 62.214 61.300 0.112 0.000 1.347 262 I CB -0.219 37.867 38.000 0.143 0.000 1.044 262 I HN 0.127 nan 8.210 nan 0.000 0.408 263 L N 0.340 121.508 121.223 -0.091 0.000 2.131 263 L HA -0.204 4.136 4.340 0.000 0.000 0.210 263 L C 2.833 179.583 176.870 -0.201 0.000 1.092 263 L CA 1.156 55.878 54.840 -0.197 0.000 0.759 263 L CB -0.643 41.246 42.059 -0.284 0.000 0.903 263 L HN 0.258 nan 8.230 nan 0.000 0.435 264 A N -0.534 122.205 122.820 -0.135 0.000 1.883 264 A HA -0.309 4.012 4.320 0.000 0.000 0.217 264 A C 2.186 179.686 177.584 -0.141 0.000 1.186 264 A CA 1.845 53.831 52.037 -0.084 0.000 0.624 264 A CB -0.928 18.069 19.000 -0.005 0.000 0.822 264 A HN 0.470 nan 8.150 nan 0.000 0.444 265 Y N 0.541 120.607 120.300 -0.390 0.000 2.200 265 Y HA -0.119 4.432 4.550 0.000 0.000 0.290 265 Y C 1.985 177.655 175.900 -0.384 0.000 1.137 265 Y CA 1.672 59.426 58.100 -0.576 0.000 1.163 265 Y CB -0.304 37.572 38.460 -0.974 0.000 0.988 265 Y HN 0.210 nan 8.280 nan 0.000 0.518 266 L N -1.052 119.960 121.223 -0.350 0.000 2.083 266 L HA -0.228 4.113 4.340 0.000 0.000 0.209 266 L C 2.767 179.423 176.870 -0.358 0.000 1.083 266 L CA 1.557 56.191 54.840 -0.345 0.000 0.752 266 L CB -0.938 41.004 42.059 -0.196 0.000 0.899 266 L HN 0.237 nan 8.230 nan 0.000 0.433 267 S N -0.397 115.117 115.700 -0.311 0.000 2.351 267 S HA -0.312 4.158 4.470 0.000 0.000 0.220 267 S C 2.104 176.535 174.600 -0.283 0.000 1.035 267 S CA 1.838 59.885 58.200 -0.255 0.000 1.031 267 S CB -0.331 62.753 63.200 -0.193 0.000 0.928 267 S HN 0.633 nan 8.310 nan 0.000 0.433 268 H N 1.171 119.955 119.070 -0.478 0.000 2.426 268 H HA 0.040 4.596 4.556 0.000 0.000 0.298 268 H C 1.857 176.867 175.328 -0.531 0.000 1.107 268 H CA 1.863 57.569 56.048 -0.569 0.000 1.298 268 H CB -0.055 29.018 29.762 -1.149 0.000 1.377 268 H HN 0.174 nan 8.280 nan 0.000 0.519 269 R N -0.138 119.926 120.500 -0.727 0.000 2.313 269 R HA 0.157 4.497 4.340 0.000 0.000 0.199 269 R C 1.170 177.234 176.300 -0.394 0.000 0.958 269 R CA 0.652 56.371 56.100 -0.634 0.000 1.047 269 R CB -0.472 29.433 30.300 -0.658 0.000 0.955 269 R HN 0.604 nan 8.270 nan 0.000 0.481 270 G N 0.466 109.071 108.800 -0.326 0.000 2.160 270 G HA2 -0.264 3.696 3.960 0.000 0.000 0.251 270 G HA3 -0.264 3.696 3.960 0.000 0.000 0.251 270 G C 0.820 175.621 174.900 -0.165 0.000 1.008 270 G CA 0.440 45.414 45.100 -0.210 0.000 0.724 270 G HN 0.235 nan 8.290 nan 0.000 0.514 271 V N 0.245 120.048 119.914 -0.186 0.000 2.591 271 V HA 0.174 4.294 4.120 0.000 0.000 0.249 271 V C 1.653 177.684 176.094 -0.105 0.000 1.053 271 V CA 1.964 64.187 62.300 -0.129 0.000 1.068 271 V CB -0.399 31.347 31.823 -0.129 0.000 0.689 271 V HN 0.770 nan 8.190 nan 0.000 0.462 272 I N -3.447 117.044 120.570 -0.132 0.000 2.797 272 I HA 0.781 4.952 4.170 0.000 0.000 0.307 272 I C 1.071 177.142 176.117 -0.076 0.000 1.033 272 I CA -0.549 60.692 61.300 -0.098 0.000 1.071 272 I CB 1.902 39.813 38.000 -0.148 0.000 1.255 272 I HN -0.118 nan 8.210 nan 0.000 0.445 273 A N 2.258 125.064 122.820 -0.024 0.000 1.970 273 A HA 0.094 4.415 4.320 0.000 0.000 0.216 273 A C 0.896 178.476 177.584 -0.007 0.000 1.170 273 A CA 0.773 52.801 52.037 -0.014 0.000 0.645 273 A CB -0.665 18.340 19.000 0.008 0.000 0.816 273 A HN 0.850 nan 8.150 nan 0.000 0.447 274 E N 0.089 120.304 120.200 0.024 0.000 2.373 274 E HA 0.331 4.681 4.350 0.000 0.000 0.263 274 E C -0.083 176.505 176.600 -0.021 0.000 1.073 274 E CA -0.109 56.317 56.400 0.044 0.000 0.894 274 E CB 0.590 30.402 29.700 0.187 0.000 1.008 274 E HN 0.306 nan 8.360 nan 0.000 0.420 275 K N 1.690 122.088 120.400 -0.003 0.000 2.310 275 K HA 0.236 4.556 4.320 0.000 0.000 0.290 275 K C -1.351 175.241 176.600 -0.013 0.000 1.077 275 K CA -0.275 56.002 56.287 -0.015 0.000 0.922 275 K CB 0.302 32.803 32.500 0.001 0.000 1.057 275 K HN 0.224 nan 8.250 nan 0.000 0.479 276 V N 5.254 125.136 119.914 -0.052 0.000 2.378 276 V HA 0.202 4.322 4.120 0.000 0.000 0.288 276 V C -0.296 175.785 176.094 -0.022 0.000 1.016 276 V CA -1.183 61.084 62.300 -0.054 0.000 0.840 276 V CB 1.283 33.016 31.823 -0.150 0.000 0.994 276 V HN 0.789 nan 8.190 nan 0.000 0.431 277 N N 5.709 124.407 118.700 -0.004 0.000 2.525 277 N HA 0.374 5.114 4.740 0.000 0.000 0.271 277 N C -2.294 173.210 175.510 -0.010 0.000 1.194 277 N CA -1.107 51.945 53.050 0.004 0.000 0.964 277 N CB 1.061 39.542 38.487 -0.009 0.000 1.126 277 N HN 0.406 nan 8.380 nan 0.000 0.452 278 P HA 0.086 nan 4.420 nan 0.000 0.269 278 P C -0.692 176.563 177.300 -0.075 0.000 1.215 278 P CA -0.352 62.709 63.100 -0.065 0.000 0.780 278 P CB 0.368 31.960 31.700 -0.180 0.000 0.898 279 A N 2.257 125.036 122.820 -0.069 0.000 2.425 279 A HA 0.338 4.658 4.320 0.000 0.000 0.242 279 A C 0.758 178.291 177.584 -0.085 0.000 1.077 279 A CA 0.050 52.051 52.037 -0.061 0.000 0.781 279 A CB -0.342 18.632 19.000 -0.044 0.000 1.020 279 A HN 0.531 nan 8.150 nan 0.000 0.494 283 R N 2.341 122.490 120.500 -0.585 0.000 2.599 283 R HA 0.668 5.008 4.340 0.000 0.000 0.295 283 R C -1.077 174.790 176.300 -0.721 0.000 0.963 283 R CA -0.599 55.200 56.100 -0.503 0.000 0.883 283 R CB 1.232 31.337 30.300 -0.326 0.000 1.171 283 R HN 0.247 nan 8.270 nan 0.000 0.450 284 F N -0.463 119.299 119.950 -0.313 0.000 2.640 284 F HA 0.772 5.299 4.527 0.000 0.000 0.324 284 F C 0.703 176.338 175.800 -0.275 0.000 1.077 284 F CA -0.857 57.000 58.000 -0.239 0.000 0.965 284 F CB 2.392 41.308 39.000 -0.141 0.000 1.351 284 F HN 0.562 nan 8.300 nan 0.000 0.487 285 G N -0.884 107.744 108.800 -0.286 0.000 2.690 285 G HA2 0.625 4.585 3.960 0.000 0.000 0.291 285 G HA3 0.625 4.585 3.960 0.000 0.000 0.291 285 G C -1.904 172.419 174.900 -0.962 0.000 1.403 285 G CA -0.827 43.959 45.100 -0.523 0.000 0.864 285 G HN 1.162 nan 8.290 nan 0.000 0.480 286 C N -1.337 117.585 119.300 -0.631 0.000 3.241 286 C HA 0.837 5.297 4.460 0.000 0.000 0.312 286 C C -0.929 173.917 174.990 -0.240 0.000 1.350 286 C CA -1.466 57.273 59.018 -0.465 0.000 1.415 286 C CB 0.283 27.903 27.740 -0.200 0.000 1.770 286 C HN 0.684 nan 8.230 nan 0.000 0.466 287 Y N 1.158 121.542 120.300 0.139 0.000 2.326 287 Y HA 0.351 4.901 4.550 0.001 0.000 0.333 287 Y C 1.475 177.448 175.900 0.122 0.000 1.240 287 Y CA 0.052 58.245 58.100 0.156 0.000 1.365 287 Y CB 0.504 39.079 38.460 0.192 0.000 1.289 287 Y HN 0.803 nan 8.280 nan 0.000 0.548 288 L N 2.788 124.183 121.223 0.287 0.000 2.042 288 L HA -0.246 4.094 4.340 0.000 0.000 0.210 288 L C 2.247 179.279 176.870 0.271 0.000 1.076 288 L CA 1.971 56.968 54.840 0.262 0.000 0.749 288 L CB -0.669 41.559 42.059 0.282 0.000 0.893 288 L HN 0.789 nan 8.230 nan 0.000 0.432 289 K N -1.832 118.716 120.400 0.246 0.000 2.281 289 K HA -0.173 4.147 4.320 0.000 0.000 0.203 289 K C 0.884 177.594 176.600 0.183 0.000 1.046 289 K CA 1.691 58.092 56.287 0.190 0.000 0.938 289 K CB -0.472 32.117 32.500 0.149 0.000 0.737 289 K HN 0.329 nan 8.250 nan 0.000 0.458 290 D N -0.276 120.254 120.400 0.217 0.000 2.339 290 D HA -0.029 4.611 4.640 0.000 0.000 0.217 290 D C -0.704 175.716 176.300 0.201 0.000 1.050 290 D CA 0.217 54.329 54.000 0.186 0.000 0.856 290 D CB 0.016 40.935 40.800 0.197 0.000 0.922 290 D HN 0.189 nan 8.370 nan 0.000 0.518 291 Y N 2.048 122.382 120.300 0.055 0.000 2.341 291 Y HA 0.299 4.849 4.550 0.000 0.000 0.340 291 Y C -0.314 175.612 175.900 0.043 0.000 0.997 291 Y CA -0.689 57.422 58.100 0.020 0.000 1.149 291 Y CB 0.481 38.950 38.460 0.014 0.000 1.171 291 Y HN -0.403 nan 8.280 nan 0.000 0.494 292 K N 5.671 126.002 120.400 -0.116 0.000 2.371 292 K HA 0.380 4.701 4.320 0.000 0.000 0.251 292 K C -1.037 175.451 176.600 -0.186 0.000 0.934 292 K CA -0.957 55.268 56.287 -0.103 0.000 0.798 292 K CB 2.308 34.812 32.500 0.007 0.000 1.204 292 K HN 0.649 nan 8.250 nan 0.000 0.427 293 K N 1.872 122.178 120.400 -0.157 0.000 2.248 293 K HA 0.270 4.590 4.320 0.000 0.000 0.281 293 K C -0.551 175.930 176.600 -0.198 0.000 1.054 293 K CA -0.496 55.656 56.287 -0.224 0.000 0.903 293 K CB 0.628 32.943 32.500 -0.309 0.000 1.077 293 K HN 0.339 nan 8.250 nan 0.000 0.474 294 F N 3.637 123.436 119.950 -0.253 0.000 2.391 294 F HA 0.211 4.738 4.527 0.000 0.000 0.359 294 F C -0.185 175.469 175.800 -0.245 0.000 1.122 294 F CA -0.516 57.384 58.000 -0.167 0.000 1.120 294 F CB 0.431 39.404 39.000 -0.045 0.000 1.142 294 F HN 0.524 nan 8.300 nan 0.000 0.483 295 H N 3.920 122.661 119.070 -0.549 0.000 2.467 295 H HA 0.568 5.124 4.556 0.000 0.000 0.331 295 H C 0.027 174.998 175.328 -0.594 0.000 1.120 295 H CA -0.448 55.343 56.048 -0.427 0.000 1.270 295 H CB 1.213 30.792 29.762 -0.305 0.000 1.466 295 H HN 0.797 nan 8.280 nan 0.000 0.504 296 A N 4.404 127.103 122.820 -0.201 0.000 2.561 296 A HA 0.024 4.344 4.320 0.000 0.000 0.251 296 A C -1.270 176.207 177.584 -0.178 0.000 1.062 296 A CA -0.810 51.133 52.037 -0.156 0.000 0.761 296 A CB -0.069 18.877 19.000 -0.090 0.000 0.986 296 A HN 0.696 nan 8.150 nan 0.000 0.510 297 P HA 0.010 nan 4.420 nan 0.000 0.231 297 P C 0.025 177.284 177.300 -0.068 0.000 1.168 297 P CA 1.087 64.118 63.100 -0.115 0.000 0.779 297 P CB 0.044 31.713 31.700 -0.051 0.000 0.844 298 K N -1.778 118.590 120.400 -0.052 0.000 2.548 298 K HA 0.701 5.021 4.320 0.000 0.000 0.282 298 K C -1.152 175.425 176.600 -0.038 0.000 1.006 298 K CA -1.100 55.162 56.287 -0.041 0.000 0.892 298 K CB 1.288 33.773 32.500 -0.026 0.000 1.499 298 K HN -0.192 nan 8.250 nan 0.000 0.433 299 A N 0.264 123.066 122.820 -0.031 0.000 2.332 299 A HA 0.766 5.086 4.320 0.000 0.000 0.258 299 A C 0.419 177.996 177.584 -0.012 0.000 1.087 299 A CA 0.593 52.616 52.037 -0.024 0.000 0.802 299 A CB 0.140 19.129 19.000 -0.018 0.000 1.042 299 A HN 1.140 nan 8.150 nan 0.000 0.489 300 G N -0.906 107.892 108.800 -0.004 0.000 2.344 300 G HA2 0.421 4.381 3.960 0.000 0.000 0.282 300 G HA3 0.421 4.381 3.960 0.000 0.000 0.282 300 G C -1.451 173.458 174.900 0.014 0.000 1.281 300 G CA -0.863 44.241 45.100 0.007 0.000 0.877 300 G HN 0.809 nan 8.290 nan 0.000 0.494 301 L N 0.904 122.138 121.223 0.019 0.000 2.309 301 L HA 0.609 4.949 4.340 0.000 0.000 0.282 301 L C -0.386 176.472 176.870 -0.020 0.000 1.036 301 L CA -0.946 53.906 54.840 0.020 0.000 0.806 301 L CB 1.465 43.547 42.059 0.037 0.000 1.220 301 L HN 0.282 nan 8.230 nan 0.000 0.429 302 I N 2.557 123.086 120.570 -0.069 0.000 2.406 302 I HA 0.297 4.467 4.170 0.000 0.000 0.290 302 I C -0.071 175.856 176.117 -0.317 0.000 0.999 302 I CA -0.337 60.816 61.300 -0.246 0.000 1.124 302 I CB 1.800 39.545 38.000 -0.426 0.000 1.289 302 I HN 0.687 nan 8.210 nan 0.000 0.441 303 E N 5.844 125.879 120.200 -0.274 0.000 2.115 303 E HA 0.281 4.631 4.350 0.000 0.000 0.282 303 E C -1.445 174.969 176.600 -0.310 0.000 0.987 303 E CA -0.567 55.720 56.400 -0.187 0.000 0.797 303 E CB 0.812 30.499 29.700 -0.021 0.000 1.086 303 E HN 0.332 nan 8.360 nan 0.000 0.397 304 Y N 3.894 124.156 120.300 -0.063 0.000 2.600 304 Y HA 0.106 4.656 4.550 0.000 0.000 0.351 304 Y C 0.869 176.765 175.900 -0.007 0.000 1.042 304 Y CA -0.665 57.366 58.100 -0.116 0.000 1.333 304 Y CB 0.397 38.495 38.460 -0.602 0.000 1.172 304 Y HN 0.634 nan 8.280 nan 0.000 0.517 305 C N 1.235 120.595 119.300 0.100 0.000 2.492 305 C HA 0.223 4.683 4.460 0.000 0.000 0.279 305 C C 1.588 176.625 174.990 0.079 0.000 1.335 305 C CA 0.130 59.186 59.018 0.063 0.000 1.734 305 C CB -0.781 26.956 27.740 -0.003 0.000 2.027 305 C HN 0.848 nan 8.230 nan 0.000 0.496 306 A N 1.358 124.230 122.820 0.087 0.000 2.362 306 A HA 0.494 4.814 4.320 0.000 0.000 0.276 306 A C 0.291 177.979 177.584 0.174 0.000 1.153 306 A CA 0.202 52.256 52.037 0.027 0.000 0.813 306 A CB 0.178 19.059 19.000 -0.200 0.000 1.081 306 A HN 0.444 nan 8.150 nan 0.000 0.507 307 S N 1.182 116.950 115.700 0.113 0.000 2.549 307 S HA 0.316 4.787 4.470 0.000 0.000 0.279 307 S C 0.629 175.312 174.600 0.139 0.000 1.321 307 S CA -0.318 57.964 58.200 0.138 0.000 1.054 307 S CB 0.643 63.892 63.200 0.081 0.000 0.899 307 S HN 1.199 nan 8.310 nan 0.000 0.497 308 V N 1.636 121.654 119.914 0.173 0.000 2.740 308 V HA 0.610 4.731 4.120 0.000 0.000 0.303 308 V C 1.274 177.399 176.094 0.050 0.000 1.054 308 V CA 0.156 62.525 62.300 0.116 0.000 1.106 308 V CB -0.236 31.641 31.823 0.090 0.000 0.957 308 V HN 1.271 nan 8.190 nan 0.000 0.486 309 G N 1.919 110.699 108.800 -0.033 0.000 2.179 309 G HA2 -0.175 3.785 3.960 0.000 0.000 0.260 309 G HA3 -0.175 3.785 3.960 0.000 0.000 0.260 309 G C -0.050 174.874 174.900 0.041 0.000 0.977 309 G CA 0.348 45.456 45.100 0.015 0.000 0.641 309 G HN 0.964 nan 8.290 nan 0.000 0.533 310 E N 0.510 120.690 120.200 -0.034 0.000 2.238 310 E HA 0.492 4.842 4.350 0.000 0.000 0.267 310 E C -2.677 173.861 176.600 -0.104 0.000 0.887 310 E CA -2.220 54.162 56.400 -0.029 0.000 0.769 310 E CB 1.744 31.443 29.700 -0.001 0.000 1.187 310 E HN 0.043 nan 8.360 nan 0.000 0.416 311 P HA 0.041 nan 4.420 nan 0.000 0.266 311 P C -0.562 176.667 177.300 -0.117 0.000 1.195 311 P CA -0.186 62.829 63.100 -0.142 0.000 0.768 311 P CB 0.363 31.986 31.700 -0.128 0.000 0.838 312 L N 3.680 124.821 121.223 -0.137 0.000 2.345 312 L HA 0.311 4.651 4.340 0.000 0.000 0.274 312 L C -0.317 176.481 176.870 -0.121 0.000 0.999 312 L CA -0.051 54.709 54.840 -0.134 0.000 0.849 312 L CB 0.809 42.759 42.059 -0.181 0.000 1.220 312 L HN 0.236 nan 8.230 nan 0.000 0.422 313 T N 3.874 118.372 114.554 -0.094 0.000 2.928 313 T HA 0.365 4.715 4.350 0.000 0.000 0.305 313 T C 0.647 175.294 174.700 -0.088 0.000 1.035 313 T CA 0.271 62.325 62.100 -0.078 0.000 1.145 313 T CB 0.581 69.415 68.868 -0.057 0.000 0.963 313 T HN 0.849 nan 8.240 nan 0.000 0.545 314 A N 2.580 125.352 122.820 -0.079 0.000 2.598 314 A HA 0.418 4.738 4.320 0.000 0.000 0.239 314 A C 1.715 179.252 177.584 -0.077 0.000 1.032 314 A CA 0.408 52.396 52.037 -0.082 0.000 0.760 314 A CB -0.973 17.992 19.000 -0.059 0.000 0.946 314 A HN 1.698 nan 8.150 nan 0.000 0.512 315 G N 1.759 110.504 108.800 -0.092 0.000 2.268 315 G HA2 -0.213 3.747 3.960 0.000 0.000 0.240 315 G HA3 -0.213 3.747 3.960 0.000 0.000 0.240 315 G C 0.406 175.253 174.900 -0.088 0.000 1.010 315 G CA 0.464 45.516 45.100 -0.081 0.000 0.618 315 G HN 0.792 nan 8.290 nan 0.000 0.516 316 K N 2.025 122.368 120.400 -0.096 0.000 2.270 316 K HA 0.376 4.696 4.320 0.000 0.000 0.276 316 K C -2.195 174.328 176.600 -0.128 0.000 1.023 316 K CA -1.523 54.707 56.287 -0.096 0.000 0.955 316 K CB 1.026 33.474 32.500 -0.088 0.000 0.975 316 K HN 0.260 nan 8.250 nan 0.000 0.471 317 P HA 0.000 nan 4.420 nan 0.000 0.271 317 P C 0.391 177.587 177.300 -0.173 0.000 1.220 317 P CA -0.191 62.827 63.100 -0.136 0.000 0.768 317 P CB 0.817 32.456 31.700 -0.102 0.000 0.848 318 L N 5.361 126.441 121.223 -0.239 0.000 2.121 318 L HA 0.079 4.419 4.340 0.000 0.000 0.200 318 L C 0.697 177.476 176.870 -0.152 0.000 1.077 318 L CA 1.492 56.136 54.840 -0.327 0.000 0.766 318 L CB -0.002 41.753 42.059 -0.507 0.000 0.931 318 L HN 0.362 nan 8.230 nan 0.000 0.452 319 V N -2.763 117.079 119.914 -0.119 0.000 3.078 319 V HA 0.616 4.736 4.120 0.000 0.000 0.311 319 V C -1.226 174.773 176.094 -0.158 0.000 1.138 319 V CA -1.026 61.213 62.300 -0.101 0.000 1.007 319 V CB 1.689 33.458 31.823 -0.090 0.000 1.045 319 V HN 0.213 nan 8.190 nan 0.000 0.432 320 N N 2.001 120.584 118.700 -0.196 0.000 2.399 320 N HA 0.639 5.379 4.740 0.000 0.000 0.295 320 N C -0.938 174.426 175.510 -0.244 0.000 1.048 320 N CA -0.286 52.579 53.050 -0.308 0.000 0.886 320 N CB 2.240 40.485 38.487 -0.403 0.000 1.185 320 N HN 0.763 nan 8.380 nan 0.000 0.487 321 I N 1.977 122.401 120.570 -0.245 0.000 2.339 321 I HA 0.232 4.402 4.170 0.000 0.000 0.290 321 I C -0.284 175.806 176.117 -0.045 0.000 0.994 321 I CA -0.938 60.291 61.300 -0.119 0.000 1.191 321 I CB 1.403 39.355 38.000 -0.079 0.000 1.343 321 I HN 0.176 nan 8.210 nan 0.000 0.458 322 L N 7.857 129.120 121.223 0.066 0.000 2.275 322 L HA 0.468 4.808 4.340 0.000 0.000 0.288 322 L C -0.415 176.514 176.870 0.099 0.000 1.046 322 L CA 0.008 54.954 54.840 0.176 0.000 0.805 322 L CB 0.488 42.658 42.059 0.186 0.000 1.193 322 L HN 0.455 nan 8.230 nan 0.000 0.426 323 R N 5.645 126.210 120.500 0.109 0.000 2.443 323 R HA 0.236 4.577 4.340 0.000 0.000 0.287 323 R C 0.534 176.891 176.300 0.095 0.000 1.425 323 R CA -0.433 55.714 56.100 0.077 0.000 1.300 323 R CB 0.749 31.082 30.300 0.055 0.000 1.129 323 R HN 0.743 nan 8.270 nan 0.000 0.577 324 I N 2.051 122.672 120.570 0.084 0.000 3.001 324 I HA -0.176 3.995 4.170 0.000 0.000 0.268 324 I C 1.511 177.680 176.117 0.085 0.000 1.267 324 I CA 1.272 62.625 61.300 0.088 0.000 1.472 324 I CB 0.026 38.053 38.000 0.044 0.000 1.089 324 I HN 0.414 nan 8.210 nan 0.000 0.468 325 D N -0.085 120.355 120.400 0.066 0.000 2.371 325 D HA -0.157 4.483 4.640 0.000 0.000 0.221 325 D C 1.334 177.675 176.300 0.068 0.000 0.986 325 D CA 0.799 54.834 54.000 0.057 0.000 0.899 325 D CB -0.131 40.691 40.800 0.037 0.000 0.902 325 D HN 0.400 nan 8.370 nan 0.000 0.530 326 L N -0.048 121.226 121.223 0.085 0.000 3.168 326 L HA 0.201 4.542 4.340 0.000 0.000 0.277 326 L C -0.119 176.799 176.870 0.080 0.000 1.245 326 L CA -0.909 53.971 54.840 0.066 0.000 1.035 326 L CB -0.067 42.018 42.059 0.043 0.000 1.399 326 L HN -0.102 nan 8.230 nan 0.000 0.580 327 Y N 1.353 121.660 120.300 0.013 0.000 2.811 327 Y HA 0.238 4.789 4.550 0.000 0.000 0.334 327 Y C 1.381 177.285 175.900 0.007 0.000 1.247 327 Y CA 1.525 59.630 58.100 0.009 0.000 1.526 327 Y CB 0.758 39.219 38.460 0.002 0.000 1.284 327 Y HN 0.289 nan 8.280 nan 0.000 0.586 328 G N 2.401 110.765 108.800 -0.727 0.000 2.238 328 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 328 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 328 G C -0.002 174.748 174.900 -0.249 0.000 0.996 328 G CA 0.068 44.899 45.100 -0.448 0.000 0.632 328 G HN 0.775 nan 8.290 nan 0.000 0.503 329 S N -0.091 115.501 115.700 -0.180 0.000 2.664 329 S HA 0.563 5.033 4.470 0.000 0.000 0.304 329 S C 0.862 175.416 174.600 -0.077 0.000 1.099 329 S CA -0.171 57.972 58.200 -0.095 0.000 1.003 329 S CB 1.852 65.025 63.200 -0.046 0.000 1.092 329 S HN 0.261 nan 8.310 nan 0.000 0.525 330 E N 0.794 120.967 120.200 -0.044 0.000 2.204 330 E HA -0.151 4.199 4.350 0.000 0.000 0.195 330 E C 1.300 177.903 176.600 0.005 0.000 0.990 330 E CA 1.010 57.400 56.400 -0.016 0.000 0.821 330 E CB -0.131 29.560 29.700 -0.015 0.000 0.750 330 E HN 0.412 nan 8.360 nan 0.000 0.477 331 Q N -0.183 119.617 119.800 0.000 0.000 2.472 331 Q HA 0.144 4.484 4.340 0.000 0.000 0.208 331 Q C 1.780 177.803 176.000 0.039 0.000 0.958 331 Q CA 0.844 56.654 55.803 0.011 0.000 0.932 331 Q CB -0.053 28.687 28.738 0.004 0.000 1.007 331 Q HN 0.352 nan 8.270 nan 0.000 0.508 332 A N -0.537 122.316 122.820 0.056 0.000 1.972 332 A HA -0.122 4.198 4.320 0.000 0.000 0.219 332 A C 0.090 177.798 177.584 0.206 0.000 1.169 332 A CA 0.974 53.078 52.037 0.113 0.000 0.635 332 A CB 0.009 19.074 19.000 0.108 0.000 0.810 332 A HN 0.350 nan 8.150 nan 0.000 0.446 333 Y N -1.178 119.126 120.300 0.006 0.000 2.401 333 Y HA 0.524 5.074 4.550 0.000 0.000 0.330 333 Y C -0.787 175.109 175.900 -0.006 0.000 1.071 333 Y CA -1.037 57.065 58.100 0.004 0.000 1.049 333 Y CB 1.275 39.742 38.460 0.011 0.000 1.239 333 Y HN 0.297 nan 8.280 nan 0.000 0.437 334 Q N 4.767 124.353 119.800 -0.358 0.000 2.271 334 Q HA 0.796 5.136 4.340 0.000 0.000 0.268 334 Q C -1.651 174.136 176.000 -0.356 0.000 1.021 334 Q CA -0.852 54.799 55.803 -0.253 0.000 0.802 334 Q CB 1.792 30.460 28.738 -0.116 0.000 1.282 334 Q HN 0.894 nan 8.270 nan 0.000 0.431 335 A N 5.025 127.676 122.820 -0.282 0.000 2.409 335 A HA 0.518 4.838 4.320 0.000 0.000 0.262 335 A C -0.487 177.009 177.584 -0.147 0.000 1.113 335 A CA -0.240 51.662 52.037 -0.225 0.000 0.790 335 A CB 0.287 19.193 19.000 -0.156 0.000 1.046 335 A HN 0.648 nan 8.150 nan 0.000 0.496 336 I N 2.767 123.254 120.570 -0.137 0.000 2.406 336 I HA 0.389 4.559 4.170 0.000 0.000 0.290 336 I C 0.542 176.558 176.117 -0.168 0.000 0.999 336 I CA 0.074 61.313 61.300 -0.102 0.000 1.124 336 I CB 1.276 39.258 38.000 -0.030 0.000 1.289 336 I HN 0.788 nan 8.210 nan 0.000 0.441 337 S N 6.816 122.415 115.700 -0.167 0.000 2.715 337 S HA 0.845 5.315 4.470 0.000 0.000 0.307 337 S C -0.629 173.819 174.600 -0.253 0.000 1.119 337 S CA -0.896 57.175 58.200 -0.216 0.000 0.937 337 S CB 2.314 65.424 63.200 -0.149 0.000 1.150 337 S HN 0.414 nan 8.310 nan 0.000 0.521 338 L N 1.510 122.576 121.223 -0.261 0.000 2.330 338 L HA 0.615 4.955 4.340 0.000 0.000 0.271 338 L C -2.037 174.756 176.870 -0.130 0.000 1.013 338 L CA -2.254 52.447 54.840 -0.233 0.000 0.816 338 L CB 1.714 43.602 42.059 -0.285 0.000 1.287 338 L HN 0.590 nan 8.230 nan 0.000 0.435 342 C N -1.237 117.993 119.300 -0.117 0.000 3.323 342 C HA 0.876 5.336 4.460 0.000 0.000 0.324 342 C C -1.248 173.635 174.990 -0.177 0.000 1.428 342 C CA -0.632 58.306 59.018 -0.132 0.000 1.368 342 C CB 1.318 28.975 27.740 -0.139 0.000 1.731 342 C HN 0.384 nan 8.230 nan 0.000 0.455 343 V N 2.466 122.250 119.914 -0.216 0.000 2.326 343 V HA 0.435 4.555 4.120 0.000 0.000 0.281 343 V C -2.337 173.596 176.094 -0.269 0.000 1.015 343 V CA -1.050 61.064 62.300 -0.310 0.000 0.823 343 V CB 1.163 32.675 31.823 -0.519 0.000 1.009 343 V HN 0.817 nan 8.190 nan 0.000 0.436 344 P HA 0.230 nan 4.420 nan 0.000 0.271 344 P C 0.491 177.755 177.300 -0.060 0.000 1.220 344 P CA 0.022 63.072 63.100 -0.084 0.000 0.768 344 P CB 0.943 32.583 31.700 -0.100 0.000 0.848 345 I N 2.717 123.286 120.570 -0.002 0.000 3.039 345 I HA 0.141 4.312 4.170 0.000 0.000 0.270 345 I C 0.875 176.968 176.117 -0.040 0.000 1.150 345 I CA 0.884 62.111 61.300 -0.122 0.000 1.448 345 I CB -0.607 37.248 38.000 -0.242 0.000 1.197 345 I HN 0.270 nan 8.210 nan 0.000 0.450 346 L N -0.868 120.382 121.223 0.045 0.000 2.540 346 L HA 0.602 4.942 4.340 0.000 0.000 0.256 346 L C -0.741 176.063 176.870 -0.109 0.000 1.001 346 L CA -0.724 54.092 54.840 -0.041 0.000 0.843 346 L CB 1.809 43.861 42.059 -0.011 0.000 1.436 346 L HN 0.225 nan 8.230 nan 0.000 0.410 347 H N -0.650 118.199 119.070 -0.369 0.000 2.949 347 H HA 0.700 5.256 4.556 0.000 0.000 0.356 347 H C -1.202 173.902 175.328 -0.373 0.000 1.212 347 H CA -1.134 54.537 56.048 -0.628 0.000 1.136 347 H CB 0.882 29.782 29.762 -1.438 0.000 1.869 347 H HN 0.700 nan 8.280 nan 0.000 0.556 348 F N 1.175 120.992 119.950 -0.221 0.000 2.563 348 F HA 0.337 4.864 4.527 0.001 0.000 0.363 348 F C 1.237 176.937 175.800 -0.167 0.000 1.123 348 F CA 0.382 58.312 58.000 -0.115 0.000 1.307 348 F CB 0.655 39.687 39.000 0.054 0.000 1.115 348 F HN 0.820 nan 8.300 nan 0.000 0.592 349 A N 3.633 126.053 122.820 -0.668 0.000 2.208 349 A HA 0.139 4.459 4.320 0.000 0.000 0.209 349 A C 0.909 178.231 177.584 -0.437 0.000 1.161 349 A CA 0.837 52.580 52.037 -0.490 0.000 0.782 349 A CB -0.404 18.364 19.000 -0.387 0.000 0.816 349 A HN 0.567 nan 8.150 nan 0.000 0.477 350 S N -2.154 113.191 115.700 -0.592 0.000 2.607 350 S HA 0.625 5.096 4.470 0.000 0.000 0.303 350 S C 0.542 175.284 174.600 0.236 0.000 1.086 350 S CA 0.047 58.139 58.200 -0.180 0.000 0.995 350 S CB 1.753 64.817 63.200 -0.227 0.000 1.084 350 S HN 0.677 nan 8.310 nan 0.000 0.507 351 A N 1.724 124.673 122.820 0.216 0.000 2.348 351 A HA 0.420 4.740 4.320 0.000 0.000 0.224 351 A C 0.390 178.076 177.584 0.170 0.000 1.227 351 A CA 0.014 52.198 52.037 0.245 0.000 0.885 351 A CB -0.377 18.719 19.000 0.160 0.000 0.933 351 A HN 0.954 nan 8.150 nan 0.000 0.506 352 S N 0.259 116.071 115.700 0.186 0.000 2.478 352 S HA 0.666 5.137 4.470 0.000 0.000 0.312 352 S C -0.412 174.293 174.600 0.175 0.000 1.094 352 S CA -0.194 58.088 58.200 0.136 0.000 1.081 352 S CB 1.231 64.485 63.200 0.089 0.000 1.007 352 S HN 1.077 nan 8.310 nan 0.000 0.475 353 V N 0.681 120.647 119.914 0.087 0.000 3.102 353 V HA 0.816 4.936 4.120 0.000 0.000 0.312 353 V C -1.048 175.032 176.094 -0.023 0.000 1.135 353 V CA -1.183 61.121 62.300 0.007 0.000 1.022 353 V CB 1.173 32.956 31.823 -0.067 0.000 1.056 353 V HN 0.721 nan 8.190 nan 0.000 0.436 354 L N 1.485 122.671 121.223 -0.061 0.000 2.400 354 L HA 0.535 4.875 4.340 0.000 0.000 0.264 354 L C 0.505 177.332 176.870 -0.072 0.000 1.061 354 L CA -0.302 54.506 54.840 -0.053 0.000 0.799 354 L CB 0.852 42.882 42.059 -0.049 0.000 1.240 354 L HN 0.920 nan 8.230 nan 0.000 0.461 355 Q N 0.330 120.092 119.800 -0.063 0.000 2.274 355 Q HA 0.290 4.630 4.340 0.000 0.000 0.280 355 Q C 0.929 176.873 176.000 -0.094 0.000 1.047 355 Q CA 1.086 56.844 55.803 -0.076 0.000 0.907 355 Q CB 0.171 28.870 28.738 -0.065 0.000 1.171 355 Q HN 0.828 nan 8.270 nan 0.000 0.381 356 G N 2.768 111.503 108.800 -0.108 0.000 2.225 356 G HA2 -0.268 3.693 3.960 0.000 0.000 0.254 356 G HA3 -0.268 3.693 3.960 0.000 0.000 0.254 356 G C 0.201 175.065 174.900 -0.060 0.000 0.988 356 G CA 0.243 45.273 45.100 -0.117 0.000 0.625 356 G HN 0.667 nan 8.290 nan 0.000 0.527 357 T N 1.635 116.114 114.554 -0.124 0.000 2.934 357 T HA 0.326 4.676 4.350 0.000 0.000 0.306 357 T C 0.491 175.072 174.700 -0.198 0.000 1.042 357 T CA 0.489 62.447 62.100 -0.237 0.000 1.145 357 T CB 1.293 69.896 68.868 -0.441 0.000 0.982 357 T HN 0.430 nan 8.240 nan 0.000 0.544 358 E N 2.838 122.920 120.200 -0.196 0.000 2.415 358 E HA 0.034 4.384 4.350 0.000 0.000 0.260 358 E C 0.269 176.779 176.600 -0.150 0.000 1.016 358 E CA -0.126 56.164 56.400 -0.184 0.000 0.924 358 E CB 0.330 29.970 29.700 -0.100 0.000 0.961 358 E HN 0.599 nan 8.360 nan 0.000 0.459 359 L N 4.424 125.656 121.223 0.016 0.000 2.262 359 L HA 0.130 4.470 4.340 0.000 0.000 0.197 359 L C 0.135 177.158 176.870 0.255 0.000 1.073 359 L CA 0.425 55.410 54.840 0.241 0.000 0.800 359 L CB 0.207 42.517 42.059 0.418 0.000 0.987 359 L HN 0.552 nan 8.230 nan 0.000 0.470 360 Y N -0.881 119.531 120.300 0.187 0.000 2.581 360 Y HA 0.400 4.950 4.550 0.000 0.000 0.345 360 Y C -0.476 175.424 175.900 0.001 0.000 1.036 360 Y CA -1.096 57.080 58.100 0.127 0.000 1.042 360 Y CB 1.685 40.210 38.460 0.108 0.000 1.289 360 Y HN -0.226 nan 8.280 nan 0.000 0.471 361 K N 2.270 122.754 120.400 0.140 0.000 2.244 361 K HA 0.703 5.023 4.320 0.000 0.000 0.260 361 K C -1.037 175.584 176.600 0.035 0.000 0.951 361 K CA -0.747 55.489 56.287 -0.085 0.000 0.826 361 K CB 2.195 34.490 32.500 -0.340 0.000 1.108 361 K HN 0.495 nan 8.250 nan 0.000 0.433 365 N N -0.411 118.332 118.700 0.072 0.000 2.725 365 N HA -0.119 4.621 4.740 0.000 0.000 0.251 365 N C -0.005 175.606 175.510 0.167 0.000 1.031 365 N CA 0.755 53.895 53.050 0.149 0.000 0.720 365 N CB -1.480 37.128 38.487 0.202 0.000 0.930 365 N HN 0.788 nan 8.380 nan 0.000 0.543 366 V N 0.776 120.719 119.914 0.048 0.000 2.732 366 V HA 0.609 4.729 4.120 0.000 0.000 0.297 366 V C 0.450 176.604 176.094 0.100 0.000 1.060 366 V CA -0.095 62.156 62.300 -0.083 0.000 1.038 366 V CB 0.645 32.399 31.823 -0.114 0.000 1.003 366 V HN 0.276 nan 8.190 nan 0.000 0.481 367 F N 2.374 122.426 119.950 0.170 0.000 2.631 367 F HA 0.781 5.309 4.527 0.001 0.000 0.308 367 F C -3.141 172.800 175.800 0.236 0.000 1.097 367 F CA -3.494 54.620 58.000 0.189 0.000 0.952 367 F CB 1.031 40.088 39.000 0.095 0.000 1.307 367 F HN 0.217 nan 8.300 nan 0.000 0.450 368 P HA 0.213 nan 4.420 nan 0.000 0.268 368 P C 0.690 178.045 177.300 0.091 0.000 1.204 368 P CA -0.153 62.930 63.100 -0.027 0.000 0.768 368 P CB 0.979 32.617 31.700 -0.103 0.000 0.842 369 L N 1.461 122.640 121.223 -0.073 0.000 2.109 369 L HA -0.095 4.245 4.340 0.000 0.000 0.207 369 L C 1.401 178.243 176.870 -0.046 0.000 1.086 369 L CA 1.478 56.314 54.840 -0.007 0.000 0.760 369 L CB -0.100 41.896 42.059 -0.104 0.000 0.910 369 L HN 0.462 nan 8.230 nan 0.000 0.437 370 Q N -0.122 119.602 119.800 -0.128 0.000 2.506 370 Q HA 0.251 4.591 4.340 0.000 0.000 0.380 370 Q C -2.197 173.728 176.000 -0.124 0.000 0.867 370 Q CA -1.499 54.225 55.803 -0.133 0.000 1.093 370 Q CB 0.995 29.622 28.738 -0.184 0.000 1.388 370 Q HN 0.148 nan 8.270 nan 0.000 0.400 371 P HA 0.030 nan 4.420 nan 0.000 0.261 371 P C -0.419 176.840 177.300 -0.068 0.000 1.173 371 P CA 0.560 63.619 63.100 -0.068 0.000 0.760 371 P CB 0.926 32.611 31.700 -0.026 0.000 0.783 372 S N 0.000 115.657 115.700 -0.071 0.000 2.498 372 S HA 0.000 4.470 4.470 0.000 0.000 0.327 372 S CA 0.000 58.164 58.200 -0.061 0.000 1.107 372 S CB 0.000 63.153 63.200 -0.079 0.000 0.593 372 S HN 0.000 nan 8.310 nan 0.000 0.517