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 2nz5_1_B DATA FIRST_RESID 13 DATA SEQUENCE PPPVRDWPAL DLDGPEFDPV LAELMREGPL TRVRLPHGEG WAWLATRYDD DATA SEQUENCE VKAITNDPRF GRAEVTQRQI TRLAPHFKPR PGSLAFADQP DHNRLRRAVA DATA SEQUENCE GAFTVGATKR LRPRAQEILD GLVDGILAEG PPADLVERVL EPFPIAVVSE DATA SEQUENCE VMGVPAADRE RVHSWTRQII STSGGAEAAE RAKRGLYGWI TETVRARAGS DATA SEQUENCE EGGDVYSMLG AAVGRGEVGE TEAVGLAGPL QIGGEAVTHN VGQMLYLLLT DATA SEQUENCE RRELMARMRE RPGARGTALD ELLRWISHRT SVGLARIALE DVEVHGTRIA DATA SEQUENCE AGEPVYVSYL AANRDPDVFP DPDRIDLDRD PNPHLAYGNG HHFCTGAVLA DATA SEQUENCE RMQTELLVDT LLERLPGLRL AVPAEQVAWR RKTMIRGPRT LPCTWHHHH 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 13 P HA 0.000 nan 4.420 nan 0.000 0.216 13 P C 0.000 177.266 177.300 -0.057 0.000 1.155 13 P CA 0.000 63.122 63.100 0.036 0.000 0.800 13 P CB 0.000 31.686 31.700 -0.024 0.000 0.726 14 P HA 0.279 nan 4.420 nan 0.000 0.266 14 P C -2.425 174.763 177.300 -0.186 0.000 1.193 14 P CA -0.525 62.528 63.100 -0.079 0.000 0.770 14 P CB 0.146 31.833 31.700 -0.021 0.000 0.836 15 P HA -0.029 nan 4.420 nan 0.000 0.268 15 P C -0.040 177.119 177.300 -0.235 0.000 1.208 15 P CA -0.036 62.954 63.100 -0.184 0.000 0.777 15 P CB 0.403 32.032 31.700 -0.119 0.000 0.875 16 V N 3.830 123.587 119.914 -0.262 0.000 2.843 16 V HA 0.106 4.226 4.120 -0.000 0.000 0.305 16 V C 1.125 177.142 176.094 -0.127 0.000 1.065 16 V CA 0.228 62.382 62.300 -0.243 0.000 1.116 16 V CB -0.145 31.561 31.823 -0.195 0.000 0.968 16 V HN 0.496 nan 8.190 nan 0.000 0.487 17 R N 2.106 122.555 120.500 -0.085 0.000 2.393 17 R HA 0.396 4.736 4.340 -0.000 0.000 0.315 17 R C -1.052 175.250 176.300 0.003 0.000 0.952 17 R CA -0.930 55.135 56.100 -0.057 0.000 0.842 17 R CB 1.243 31.489 30.300 -0.090 0.000 1.163 17 R HN 0.669 nan 8.270 nan 0.000 0.450 18 D N 1.410 121.813 120.400 0.005 0.000 2.390 18 D HA 0.048 4.688 4.640 -0.000 0.000 0.249 18 D C -0.512 175.857 176.300 0.115 0.000 1.144 18 D CA 0.604 54.632 54.000 0.046 0.000 0.880 18 D CB 0.571 41.381 40.800 0.017 0.000 1.182 18 D HN 0.270 nan 8.370 nan 0.000 0.451 19 W N 5.914 127.165 121.300 -0.081 0.000 2.485 19 W HA 0.346 5.006 4.660 -0.000 0.000 0.297 19 W C -2.641 173.813 176.519 -0.109 0.000 0.999 19 W CA -2.775 54.514 57.345 -0.094 0.000 1.512 19 W CB 0.138 29.535 29.460 -0.106 0.000 1.322 19 W HN 0.334 nan 8.180 nan 0.000 0.419 20 P HA 0.290 nan 4.420 nan 0.000 0.280 20 P C -0.617 176.649 177.300 -0.058 0.000 1.278 20 P CA -0.067 63.052 63.100 0.033 0.000 0.787 20 P CB 0.730 32.455 31.700 0.041 0.000 1.163 21 A N 0.215 122.978 122.820 -0.094 0.000 2.310 21 A HA 0.444 4.764 4.320 -0.000 0.000 0.299 21 A C -0.450 177.090 177.584 -0.074 0.000 1.147 21 A CA -0.424 51.534 52.037 -0.131 0.000 0.818 21 A CB -0.263 18.668 19.000 -0.116 0.000 1.096 21 A HN 0.530 nan 8.150 nan 0.000 0.495 22 L N 1.491 122.660 121.223 -0.089 0.000 2.426 22 L HA 0.250 4.590 4.340 -0.000 0.000 0.271 22 L C 0.335 177.168 176.870 -0.062 0.000 1.169 22 L CA 0.720 55.520 54.840 -0.065 0.000 0.836 22 L CB 0.626 42.630 42.059 -0.091 0.000 1.112 22 L HN 0.737 nan 8.230 nan 0.000 0.465 23 D N 5.324 125.692 120.400 -0.054 0.000 2.945 23 D HA 0.135 4.775 4.640 -0.000 0.000 0.369 23 D C -1.301 174.960 176.300 -0.064 0.000 1.294 23 D CA -0.195 53.778 54.000 -0.046 0.000 0.778 23 D CB 0.294 41.077 40.800 -0.028 0.000 1.188 23 D HN 0.455 nan 8.370 nan 0.000 0.479 24 L N 1.051 122.208 121.223 -0.110 0.000 2.313 24 L HA 0.337 4.677 4.340 -0.000 0.000 0.283 24 L C -0.335 176.360 176.870 -0.292 0.000 1.013 24 L CA -0.634 54.104 54.840 -0.170 0.000 0.816 24 L CB 1.784 43.731 42.059 -0.187 0.000 1.236 24 L HN -0.143 nan 8.230 nan 0.000 0.419 25 D N 4.119 124.355 120.400 -0.273 0.000 2.801 25 D HA 0.429 5.069 4.640 -0.000 0.000 0.232 25 D C 0.226 175.955 176.300 -0.953 0.000 1.128 25 D CA 0.467 54.234 54.000 -0.389 0.000 1.003 25 D CB 0.495 41.283 40.800 -0.020 0.000 1.110 25 D HN 0.719 nan 8.370 nan 0.000 0.477 26 G N 0.480 108.266 108.800 -1.690 0.000 2.428 26 G HA2 0.191 4.151 3.960 -0.000 0.000 0.304 26 G HA3 0.191 4.151 3.960 -0.000 0.000 0.304 26 G C -2.546 171.353 174.900 -1.668 0.000 1.303 26 G CA -0.744 43.298 45.100 -1.764 0.000 0.825 26 G HN -0.143 nan 8.290 nan 0.000 0.484 27 P HA 0.189 nan 4.420 nan 0.000 0.255 27 P C 0.138 177.424 177.300 -0.022 0.000 1.248 27 P CA 0.134 63.125 63.100 -0.181 0.000 0.807 27 P CB 0.434 32.327 31.700 0.322 0.000 1.150 28 E N 0.380 120.535 120.200 -0.075 0.000 2.534 28 E HA 0.017 4.367 4.350 -0.000 0.000 0.264 28 E C -0.156 176.398 176.600 -0.076 0.000 0.981 28 E CA 0.125 56.526 56.400 0.001 0.000 0.948 28 E CB -0.180 29.507 29.700 -0.021 0.000 0.934 28 E HN 0.079 nan 8.360 nan 0.000 0.459 29 F N 2.480 122.296 119.950 -0.223 0.000 2.518 29 F HA -0.024 4.502 4.527 -0.000 0.000 0.359 29 F C 0.818 176.543 175.800 -0.125 0.000 1.118 29 F CA -0.176 57.682 58.000 -0.236 0.000 1.287 29 F CB 0.518 39.357 39.000 -0.269 0.000 1.132 29 F HN 0.337 nan 8.300 nan 0.000 0.587 30 D N 8.013 128.138 120.400 -0.458 0.000 2.451 30 D HA -0.010 4.629 4.640 -0.000 0.000 0.254 30 D C -1.439 174.857 176.300 -0.006 0.000 1.204 30 D CA -1.660 52.224 54.000 -0.195 0.000 0.896 30 D CB 1.050 41.746 40.800 -0.173 0.000 1.136 30 D HN 0.266 nan 8.370 nan 0.000 0.499 31 P HA -0.152 nan 4.420 nan 0.000 0.218 31 P C 1.394 178.676 177.300 -0.030 0.000 1.149 31 P CA 0.536 63.650 63.100 0.025 0.000 0.817 31 P CB 0.404 32.107 31.700 0.006 0.000 0.785 32 V N 0.019 119.888 119.914 -0.076 0.000 2.719 32 V HA -0.101 4.019 4.120 -0.000 0.000 0.252 32 V C 2.625 178.459 176.094 -0.433 0.000 1.065 32 V CA 0.910 63.075 62.300 -0.225 0.000 1.086 32 V CB -0.918 30.770 31.823 -0.223 0.000 0.700 32 V HN 0.043 nan 8.190 nan 0.000 0.467 33 L N 0.178 121.194 121.223 -0.345 0.000 2.179 33 L HA 0.036 4.375 4.340 -0.000 0.000 0.208 33 L C 2.499 179.329 176.870 -0.067 0.000 1.096 33 L CA 1.283 55.897 54.840 -0.377 0.000 0.779 33 L CB -0.352 41.606 42.059 -0.168 0.000 0.922 33 L HN 0.300 nan 8.230 nan 0.000 0.443 34 A N -0.066 122.803 122.820 0.082 0.000 1.933 34 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 34 A C 2.045 179.615 177.584 -0.023 0.000 1.175 34 A CA 1.536 53.634 52.037 0.101 0.000 0.628 34 A CB -0.389 18.670 19.000 0.098 0.000 0.814 34 A HN 0.490 nan 8.150 nan 0.000 0.444 35 E N 0.052 120.203 120.200 -0.082 0.000 2.005 35 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 35 E C 1.941 178.473 176.600 -0.113 0.000 1.010 35 E CA 1.199 57.537 56.400 -0.104 0.000 0.825 35 E CB -0.805 28.810 29.700 -0.142 0.000 0.769 35 E HN 0.420 nan 8.360 nan 0.000 0.456 36 L N 0.598 121.712 121.223 -0.181 0.000 2.089 36 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 36 L C 2.556 179.377 176.870 -0.081 0.000 1.079 36 L CA 1.596 56.340 54.840 -0.160 0.000 0.758 36 L CB -1.015 40.882 42.059 -0.269 0.000 0.891 36 L HN 0.189 nan 8.230 nan 0.000 0.433 37 M N -1.512 118.054 119.600 -0.057 0.000 2.213 37 M HA -0.175 4.305 4.480 -0.000 0.000 0.263 37 M C 2.170 178.463 176.300 -0.011 0.000 1.062 37 M CA 1.444 56.740 55.300 -0.007 0.000 1.105 37 M CB -0.245 32.366 32.600 0.019 0.000 1.385 37 M HN 0.169 nan 8.290 nan 0.000 0.417 38 R N -0.545 119.938 120.500 -0.029 0.000 2.246 38 R HA -0.030 4.310 4.340 -0.000 0.000 0.199 38 R C 1.887 178.169 176.300 -0.031 0.000 0.984 38 R CA 0.608 56.692 56.100 -0.027 0.000 1.015 38 R CB -0.154 30.126 30.300 -0.033 0.000 0.930 38 R HN 0.469 nan 8.270 nan 0.000 0.475 39 E N 0.761 120.938 120.200 -0.039 0.000 2.106 39 E HA -0.047 4.303 4.350 -0.000 0.000 0.192 39 E C 0.390 176.974 176.600 -0.026 0.000 0.984 39 E CA 0.958 57.336 56.400 -0.037 0.000 0.806 39 E CB 0.274 29.945 29.700 -0.048 0.000 0.750 39 E HN 0.307 nan 8.360 nan 0.000 0.458 40 G N -0.792 107.997 108.800 -0.018 0.000 2.325 40 G HA2 0.028 3.987 3.960 -0.000 0.000 0.297 40 G HA3 0.028 3.987 3.960 -0.000 0.000 0.297 40 G C -2.572 172.326 174.900 -0.004 0.000 1.448 40 G CA -0.394 44.693 45.100 -0.023 0.000 0.838 40 G HN -0.141 nan 8.290 nan 0.000 0.579 41 P HA 0.100 nan 4.420 nan 0.000 0.228 41 P C 0.020 177.362 177.300 0.069 0.000 1.151 41 P CA 0.683 63.803 63.100 0.034 0.000 0.770 41 P CB 0.368 32.047 31.700 -0.034 0.000 0.786 42 L N -1.096 120.163 121.223 0.060 0.000 2.493 42 L HA 0.429 4.769 4.340 -0.000 0.000 0.265 42 L C -0.265 176.756 176.870 0.252 0.000 0.954 42 L CA 0.057 54.977 54.840 0.135 0.000 0.844 42 L CB 2.483 44.545 42.059 0.006 0.000 1.302 42 L HN -0.315 nan 8.230 nan 0.000 0.405 43 T N 1.335 116.094 114.554 0.341 0.000 2.883 43 T HA 0.624 4.974 4.350 -0.000 0.000 0.296 43 T C -0.745 174.085 174.700 0.216 0.000 1.117 43 T CA -0.971 61.276 62.100 0.244 0.000 1.006 43 T CB 2.145 71.056 68.868 0.071 0.000 1.191 43 T HN 0.314 nan 8.240 nan 0.000 0.508 44 R N 1.149 121.596 120.500 -0.089 0.000 2.338 44 R HA 0.723 5.063 4.340 -0.000 0.000 0.317 44 R C -0.657 175.602 176.300 -0.069 0.000 0.968 44 R CA -0.754 55.186 56.100 -0.266 0.000 0.849 44 R CB 1.588 31.392 30.300 -0.826 0.000 1.128 44 R HN 0.536 nan 8.270 nan 0.000 0.448 45 V N -0.173 119.799 119.914 0.098 0.000 2.914 45 V HA 0.629 4.749 4.120 -0.000 0.000 0.314 45 V C -0.466 175.735 176.094 0.179 0.000 1.084 45 V CA -1.226 61.157 62.300 0.138 0.000 0.963 45 V CB 2.184 34.149 31.823 0.237 0.000 1.025 45 V HN 0.795 nan 8.190 nan 0.000 0.432 46 R N 2.990 123.575 120.500 0.141 0.000 2.371 46 R HA 0.660 5.000 4.340 -0.000 0.000 0.312 46 R C -1.145 175.191 176.300 0.059 0.000 0.980 46 R CA -0.647 55.515 56.100 0.105 0.000 0.867 46 R CB 1.110 31.457 30.300 0.078 0.000 1.163 46 R HN 0.921 nan 8.270 nan 0.000 0.492 47 L N 5.560 126.781 121.223 -0.005 0.000 2.468 47 L HA 0.363 4.703 4.340 -0.000 0.000 0.254 47 L C -1.357 175.415 176.870 -0.163 0.000 1.171 47 L CA -2.272 52.500 54.840 -0.113 0.000 0.809 47 L CB 0.675 42.619 42.059 -0.192 0.000 1.155 47 L HN 0.457 nan 8.230 nan 0.000 0.473 48 P HA -0.139 nan 4.420 nan 0.000 0.217 48 P C -0.142 176.698 177.300 -0.767 0.000 1.148 48 P CA 1.577 64.382 63.100 -0.491 0.000 0.834 48 P CB 0.133 31.516 31.700 -0.527 0.000 0.783 49 H N -3.388 115.640 119.070 -0.070 0.000 2.960 49 H HA 0.540 5.096 4.556 -0.000 0.000 0.303 49 H C 0.834 176.136 175.328 -0.043 0.000 1.412 49 H CA 0.007 56.023 56.048 -0.055 0.000 1.227 49 H CB 1.104 30.826 29.762 -0.066 0.000 1.912 49 H HN 0.112 nan 8.280 nan 0.000 0.583 50 G N 0.502 109.373 108.800 0.119 0.000 2.681 50 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.220 50 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.220 50 G C -1.010 173.900 174.900 0.017 0.000 1.353 50 G CA -0.427 44.698 45.100 0.041 0.000 0.872 50 G HN 0.604 nan 8.290 nan 0.000 0.557 51 E N -0.334 119.857 120.200 -0.016 0.000 2.288 51 E HA 0.605 4.955 4.350 -0.000 0.000 0.268 51 E C 0.467 177.025 176.600 -0.070 0.000 0.885 51 E CA -0.219 56.165 56.400 -0.027 0.000 0.767 51 E CB 1.805 31.490 29.700 -0.026 0.000 1.220 51 E HN 2.298 nan 8.360 nan 0.000 0.427 52 G N 1.362 110.127 108.800 -0.057 0.000 2.725 52 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.220 52 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.220 52 G C -0.751 174.107 174.900 -0.070 0.000 1.357 52 G CA -0.221 44.801 45.100 -0.130 0.000 0.866 52 G HN 0.584 nan 8.290 nan 0.000 0.548 53 W N -1.164 120.101 121.300 -0.059 0.000 3.075 53 W HA 0.892 5.552 4.660 -0.000 0.000 0.334 53 W C 0.112 176.588 176.519 -0.070 0.000 1.288 53 W CA -0.792 56.507 57.345 -0.077 0.000 1.095 53 W CB 1.108 30.482 29.460 -0.144 0.000 1.564 53 W HN 1.879 nan 8.180 nan 0.000 0.629 54 A N -0.462 122.561 122.820 0.339 0.000 2.606 54 A HA 0.631 4.951 4.320 -0.000 0.000 0.293 54 A C -2.187 175.629 177.584 0.386 0.000 1.082 54 A CA -0.974 51.211 52.037 0.245 0.000 0.685 54 A CB 0.702 19.880 19.000 0.295 0.000 1.284 54 A HN 0.673 nan 8.150 nan 0.000 0.408 55 W N -0.165 121.392 121.300 0.428 0.000 2.215 55 W HA 0.546 5.206 4.660 -0.000 0.000 0.342 55 W C -0.154 176.520 176.519 0.258 0.000 1.237 55 W CA 0.019 57.561 57.345 0.328 0.000 1.283 55 W CB 1.299 30.923 29.460 0.273 0.000 1.131 55 W HN 0.530 nan 8.180 nan 0.000 0.606 56 L N 2.865 124.397 121.223 0.515 0.000 2.491 56 L HA 0.640 4.980 4.340 -0.000 0.000 0.267 56 L C -0.520 176.485 176.870 0.226 0.000 0.971 56 L CA -0.795 54.243 54.840 0.330 0.000 0.857 56 L CB 0.745 42.966 42.059 0.270 0.000 1.226 56 L HN 0.414 nan 8.230 nan 0.000 0.408 57 A N 2.968 125.872 122.820 0.140 0.000 2.363 57 A HA 0.560 4.880 4.320 -0.000 0.000 0.270 57 A C 0.706 178.331 177.584 0.069 0.000 1.121 57 A CA 0.391 52.473 52.037 0.074 0.000 0.800 57 A CB 0.743 19.740 19.000 -0.006 0.000 1.052 57 A HN 0.845 nan 8.150 nan 0.000 0.493 58 T N 0.904 115.508 114.554 0.083 0.000 2.964 58 T HA 0.168 4.518 4.350 -0.000 0.000 0.249 58 T C 0.906 175.673 174.700 0.112 0.000 1.000 58 T CA 0.241 62.394 62.100 0.088 0.000 0.992 58 T CB -0.105 68.807 68.868 0.074 0.000 1.087 58 T HN 0.597 nan 8.240 nan 0.000 0.489 59 R N 0.596 121.171 120.500 0.124 0.000 2.539 59 R HA 0.339 4.679 4.340 -0.000 0.000 0.275 59 R C 0.543 176.935 176.300 0.154 0.000 1.077 59 R CA -0.259 55.937 56.100 0.159 0.000 1.097 59 R CB -0.036 30.377 30.300 0.188 0.000 1.018 59 R HN 0.241 nan 8.270 nan 0.000 0.483 60 Y N 2.091 122.451 120.300 0.100 0.000 2.030 60 Y HA -0.362 4.188 4.550 -0.000 0.000 0.274 60 Y C 1.238 177.174 175.900 0.061 0.000 1.153 60 Y CA 2.445 60.613 58.100 0.113 0.000 1.115 60 Y CB 0.070 38.599 38.460 0.115 0.000 0.969 60 Y HN 0.684 nan 8.280 nan 0.000 0.488 61 D N 0.133 120.651 120.400 0.196 0.000 2.116 61 D HA -0.197 4.443 4.640 -0.000 0.000 0.193 61 D C 1.784 178.051 176.300 -0.056 0.000 0.998 61 D CA 1.769 55.803 54.000 0.057 0.000 0.836 61 D CB -0.598 40.208 40.800 0.011 0.000 0.951 61 D HN 0.449 nan 8.370 nan 0.000 0.449 62 D N 0.125 120.490 120.400 -0.060 0.000 2.104 62 D HA -0.109 4.531 4.640 -0.000 0.000 0.194 62 D C 2.341 178.588 176.300 -0.088 0.000 0.994 62 D CA 0.503 54.464 54.000 -0.066 0.000 0.830 62 D CB -0.516 40.285 40.800 0.002 0.000 0.959 62 D HN 0.074 nan 8.370 nan 0.000 0.452 63 V N 0.925 120.786 119.914 -0.087 0.000 2.255 63 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 63 V C 2.462 178.490 176.094 -0.111 0.000 1.051 63 V CA 1.814 64.043 62.300 -0.118 0.000 1.018 63 V CB -0.443 31.320 31.823 -0.100 0.000 0.641 63 V HN 0.183 nan 8.190 nan 0.000 0.445 64 K N -0.158 120.139 120.400 -0.172 0.000 2.209 64 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 64 K C 2.032 178.591 176.600 -0.067 0.000 1.048 64 K CA 1.395 57.600 56.287 -0.138 0.000 0.940 64 K CB -0.222 32.129 32.500 -0.250 0.000 0.729 64 K HN 0.460 nan 8.250 nan 0.000 0.451 65 A N 1.444 124.220 122.820 -0.073 0.000 1.826 65 A HA -0.077 4.243 4.320 -0.000 0.000 0.214 65 A C 2.032 179.580 177.584 -0.060 0.000 1.212 65 A CA 1.297 53.308 52.037 -0.044 0.000 0.605 65 A CB -0.675 18.301 19.000 -0.040 0.000 0.861 65 A HN 0.279 nan 8.150 nan 0.000 0.447 66 I N -0.415 120.059 120.570 -0.160 0.000 2.113 66 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 66 I C 2.689 178.662 176.117 -0.241 0.000 1.057 66 I CA 2.076 63.148 61.300 -0.380 0.000 1.314 66 I CB -0.727 36.910 38.000 -0.606 0.000 1.022 66 I HN 0.410 nan 8.210 nan 0.000 0.408 67 T N -0.039 114.431 114.554 -0.140 0.000 2.946 67 T HA -0.192 4.158 4.350 -0.000 0.000 0.271 67 T C 1.366 176.064 174.700 -0.002 0.000 1.104 67 T CA 1.501 63.579 62.100 -0.036 0.000 1.114 67 T CB -0.345 68.571 68.868 0.081 0.000 0.867 67 T HN 0.278 nan 8.240 nan 0.000 0.513 68 N N 0.790 119.502 118.700 0.020 0.000 2.241 68 N HA 0.080 4.819 4.740 -0.000 0.000 0.238 68 N C -1.104 174.478 175.510 0.119 0.000 1.244 68 N CA -0.082 53.009 53.050 0.068 0.000 0.880 68 N CB 0.462 38.974 38.487 0.043 0.000 1.179 68 N HN 0.323 nan 8.380 nan 0.000 0.513 69 D N 0.659 121.150 120.400 0.151 0.000 2.373 69 D HA 0.332 4.972 4.640 -0.000 0.000 0.227 69 D C -1.804 174.647 176.300 0.250 0.000 1.091 69 D CA -2.047 52.073 54.000 0.200 0.000 0.840 69 D CB 1.861 42.819 40.800 0.263 0.000 1.060 69 D HN -0.033 nan 8.370 nan 0.000 0.502 70 P HA -0.104 nan 4.420 nan 0.000 0.224 70 P C 1.013 178.377 177.300 0.107 0.000 1.142 70 P CA 0.818 63.995 63.100 0.128 0.000 0.778 70 P CB 0.200 31.934 31.700 0.057 0.000 0.764 71 R N -1.944 118.614 120.500 0.098 0.000 2.189 71 R HA -0.008 4.332 4.340 -0.000 0.000 0.223 71 R C 0.215 176.408 176.300 -0.178 0.000 1.092 71 R CA 0.604 56.664 56.100 -0.066 0.000 0.989 71 R CB -0.269 29.934 30.300 -0.161 0.000 0.876 71 R HN 0.247 nan 8.270 nan 0.000 0.457 72 F N -0.351 119.629 119.950 0.049 0.000 2.436 72 F HA 0.457 4.983 4.527 -0.000 0.000 0.340 72 F C 0.921 176.769 175.800 0.080 0.000 1.113 72 F CA -0.808 57.222 58.000 0.051 0.000 1.022 72 F CB 1.709 40.732 39.000 0.038 0.000 1.128 72 F HN -0.149 nan 8.300 nan 0.000 0.466 73 G N 1.737 110.674 108.800 0.228 0.000 2.511 73 G HA2 0.526 4.486 3.960 -0.000 0.000 0.318 73 G HA3 0.526 4.486 3.960 -0.000 0.000 0.318 73 G C -0.024 174.991 174.900 0.192 0.000 1.210 73 G CA -0.525 44.695 45.100 0.200 0.000 0.969 73 G HN 0.566 nan 8.290 nan 0.000 0.484 74 R N 0.346 120.976 120.500 0.217 0.000 2.250 74 R HA 0.296 4.636 4.340 -0.000 0.000 0.194 74 R C 2.537 179.021 176.300 0.306 0.000 0.927 74 R CA 1.107 57.325 56.100 0.197 0.000 1.052 74 R CB -0.163 30.202 30.300 0.110 0.000 1.055 74 R HN 0.530 nan 8.270 nan 0.000 0.537 75 A N 0.926 123.904 122.820 0.264 0.000 1.940 75 A HA -0.146 4.173 4.320 -0.000 0.000 0.219 75 A C 1.654 179.343 177.584 0.174 0.000 1.176 75 A CA 1.516 53.692 52.037 0.230 0.000 0.631 75 A CB -0.337 18.764 19.000 0.168 0.000 0.814 75 A HN 0.200 nan 8.150 nan 0.000 0.446 76 E N -0.172 120.114 120.200 0.144 0.000 2.347 76 E HA -0.059 4.291 4.350 -0.000 0.000 0.196 76 E C 2.042 178.701 176.600 0.100 0.000 1.008 76 E CA 0.918 57.378 56.400 0.099 0.000 0.852 76 E CB -0.223 29.519 29.700 0.070 0.000 0.783 76 E HN 0.452 nan 8.360 nan 0.000 0.505 77 V N 1.251 121.256 119.914 0.151 0.000 2.548 77 V HA -0.216 3.903 4.120 -0.000 0.000 0.249 77 V C 2.674 178.882 176.094 0.188 0.000 1.055 77 V CA 1.991 64.367 62.300 0.127 0.000 1.065 77 V CB -1.198 30.739 31.823 0.190 0.000 0.681 77 V HN 0.391 nan 8.190 nan 0.000 0.462 78 T N -1.612 113.056 114.554 0.190 0.000 2.759 78 T HA -0.299 4.051 4.350 -0.000 0.000 0.269 78 T C 1.684 176.458 174.700 0.124 0.000 1.042 78 T CA 1.628 63.786 62.100 0.098 0.000 1.140 78 T CB -0.364 68.429 68.868 -0.126 0.000 0.864 78 T HN 0.368 nan 8.240 nan 0.000 0.455 79 Q N 0.779 120.629 119.800 0.083 0.000 2.373 79 Q HA 0.338 4.678 4.340 -0.000 0.000 0.206 79 Q C 0.642 176.675 176.000 0.055 0.000 0.942 79 Q CA 0.096 55.931 55.803 0.053 0.000 0.953 79 Q CB 0.015 28.774 28.738 0.035 0.000 1.022 79 Q HN 0.606 nan 8.270 nan 0.000 0.502 80 R N -1.826 118.722 120.500 0.081 0.000 3.145 80 R HA 0.407 4.746 4.340 -0.000 0.000 0.253 80 R C -0.566 175.749 176.300 0.025 0.000 1.289 80 R CA -0.734 55.384 56.100 0.030 0.000 1.030 80 R CB 0.722 31.011 30.300 -0.018 0.000 1.387 80 R HN -0.177 nan 8.270 nan 0.000 0.466 81 Q N 0.897 120.673 119.800 -0.040 0.000 2.139 81 Q HA 0.325 4.665 4.340 -0.000 0.000 0.301 81 Q C -0.513 175.422 176.000 -0.109 0.000 0.874 81 Q CA -0.081 55.688 55.803 -0.056 0.000 1.116 81 Q CB 0.680 29.414 28.738 -0.006 0.000 1.278 81 Q HN 0.493 nan 8.270 nan 0.000 0.426 82 I N 1.227 121.701 120.570 -0.160 0.000 2.993 82 I HA -0.124 4.046 4.170 -0.000 0.000 0.301 82 I C 1.247 177.315 176.117 -0.082 0.000 1.229 82 I CA 0.768 61.984 61.300 -0.139 0.000 1.435 82 I CB 0.220 38.127 38.000 -0.155 0.000 1.328 82 I HN -0.005 nan 8.210 nan 0.000 0.584 83 T N 6.248 120.785 114.554 -0.028 0.000 2.928 83 T HA 0.205 4.555 4.350 -0.000 0.000 0.305 83 T C -0.028 174.703 174.700 0.053 0.000 1.035 83 T CA -0.119 61.987 62.100 0.010 0.000 1.145 83 T CB 0.097 68.980 68.868 0.024 0.000 0.963 83 T HN 0.774 nan 8.240 nan 0.000 0.545 84 R N 3.211 123.709 120.500 -0.002 0.000 2.906 84 R HA 0.601 4.941 4.340 -0.000 0.000 0.258 84 R C 0.211 176.462 176.300 -0.082 0.000 1.156 84 R CA -1.054 55.030 56.100 -0.027 0.000 0.996 84 R CB 0.321 30.619 30.300 -0.004 0.000 1.259 84 R HN 0.501 nan 8.270 nan 0.000 0.462 85 L N 0.147 121.303 121.223 -0.112 0.000 2.253 85 L HA 0.431 4.770 4.340 -0.000 0.000 0.205 85 L C 0.460 177.349 176.870 0.032 0.000 1.078 85 L CA 1.312 56.075 54.840 -0.128 0.000 0.805 85 L CB -0.171 41.754 42.059 -0.223 0.000 0.963 85 L HN 0.790 nan 8.230 nan 0.000 0.459 86 A N 0.945 123.793 122.820 0.046 0.000 2.401 86 A HA 0.445 4.764 4.320 -0.000 0.000 0.259 86 A C -1.549 176.023 177.584 -0.019 0.000 1.103 86 A CA -0.795 51.270 52.037 0.046 0.000 0.789 86 A CB -0.330 18.719 19.000 0.081 0.000 1.035 86 A HN 0.331 nan 8.150 nan 0.000 0.491 87 P HA -0.132 nan 4.420 nan 0.000 0.215 87 P C 0.108 177.144 177.300 -0.440 0.000 1.153 87 P CA 1.431 64.059 63.100 -0.786 0.000 0.853 87 P CB -0.073 31.066 31.700 -0.934 0.000 0.788 88 H N -1.492 117.541 119.070 -0.061 0.000 2.533 88 H HA 0.445 5.001 4.556 -0.000 0.000 0.343 88 H C -0.829 174.587 175.328 0.146 0.000 1.160 88 H CA -0.664 55.396 56.048 0.021 0.000 1.218 88 H CB 1.125 30.880 29.762 -0.012 0.000 1.566 88 H HN -0.021 nan 8.280 nan 0.000 0.522 89 F N 2.186 122.201 119.950 0.109 0.000 2.902 89 F HA 0.301 4.828 4.527 -0.000 0.000 0.368 89 F C -0.938 174.852 175.800 -0.017 0.000 1.202 89 F CA -0.643 57.381 58.000 0.039 0.000 1.109 89 F CB 0.597 39.613 39.000 0.028 0.000 1.418 89 F HN 0.296 nan 8.300 nan 0.000 0.527 90 K N 6.908 127.031 120.400 -0.462 0.000 2.624 90 K HA 0.320 4.640 4.320 -0.000 0.000 0.200 90 K C -2.575 173.704 176.600 -0.535 0.000 1.036 90 K CA -1.624 54.388 56.287 -0.459 0.000 1.029 90 K CB 1.003 33.370 32.500 -0.222 0.000 1.317 90 K HN 0.322 nan 8.250 nan 0.000 0.555 91 P HA 0.086 nan 4.420 nan 0.000 0.271 91 P C -0.644 176.437 177.300 -0.363 0.000 1.226 91 P CA -0.149 62.536 63.100 -0.692 0.000 0.765 91 P CB 0.787 31.829 31.700 -1.098 0.000 0.835 92 R N 3.859 124.232 120.500 -0.212 0.000 2.500 92 R HA 0.433 4.773 4.340 -0.000 0.000 0.275 92 R C -2.070 174.175 176.300 -0.092 0.000 1.051 92 R CA -1.727 54.293 56.100 -0.135 0.000 1.088 92 R CB -0.179 30.056 30.300 -0.109 0.000 1.063 92 R HN 0.370 nan 8.270 nan 0.000 0.511 93 P HA 0.092 nan 4.420 nan 0.000 0.271 93 P C 0.351 177.633 177.300 -0.029 0.000 1.216 93 P CA 0.426 63.499 63.100 -0.045 0.000 0.776 93 P CB 0.939 32.611 31.700 -0.046 0.000 0.881 94 G N 1.606 110.405 108.800 -0.001 0.000 2.195 94 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.246 94 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.246 94 G C 0.356 175.261 174.900 0.009 0.000 0.984 94 G CA 0.165 45.264 45.100 -0.002 0.000 0.633 94 G HN 0.830 nan 8.290 nan 0.000 0.525 95 S N 0.698 116.427 115.700 0.049 0.000 2.498 95 S HA 0.512 4.981 4.470 -0.000 0.000 0.281 95 S C 1.770 176.419 174.600 0.082 0.000 1.265 95 S CA 0.064 58.314 58.200 0.084 0.000 1.071 95 S CB 0.910 64.233 63.200 0.204 0.000 0.894 95 S HN 0.515 nan 8.310 nan 0.000 0.491 96 L N 3.717 124.932 121.223 -0.014 0.000 2.127 96 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 96 L C 2.994 179.896 176.870 0.054 0.000 1.089 96 L CA 1.499 56.275 54.840 -0.108 0.000 0.757 96 L CB -1.026 40.904 42.059 -0.214 0.000 0.899 96 L HN 0.915 nan 8.230 nan 0.000 0.434 97 A N 0.010 122.841 122.820 0.018 0.000 1.940 97 A HA -0.185 4.134 4.320 -0.000 0.000 0.219 97 A C 1.594 178.968 177.584 -0.350 0.000 1.176 97 A CA 1.656 53.572 52.037 -0.202 0.000 0.631 97 A CB -0.631 18.125 19.000 -0.407 0.000 0.814 97 A HN 0.434 nan 8.150 nan 0.000 0.446 98 F N -0.698 119.328 119.950 0.127 0.000 2.684 98 F HA 0.544 5.071 4.527 -0.000 0.000 0.298 98 F C 0.846 176.757 175.800 0.186 0.000 1.120 98 F CA -0.016 58.069 58.000 0.142 0.000 1.332 98 F CB 0.216 39.279 39.000 0.104 0.000 0.986 98 F HN 0.194 nan 8.300 nan 0.000 0.524 99 A N 0.068 123.107 122.820 0.365 0.000 2.292 99 A HA 0.607 4.926 4.320 -0.000 0.000 0.319 99 A C -0.534 177.267 177.584 0.363 0.000 1.206 99 A CA -0.536 51.671 52.037 0.283 0.000 0.835 99 A CB 0.540 19.626 19.000 0.143 0.000 1.164 99 A HN 0.058 nan 8.150 nan 0.000 0.505 100 D N 0.808 121.359 120.400 0.250 0.000 2.384 100 D HA 0.365 5.005 4.640 -0.000 0.000 0.250 100 D C -0.123 176.235 176.300 0.096 0.000 1.029 100 D CA -0.312 53.800 54.000 0.186 0.000 0.990 100 D CB 0.554 41.446 40.800 0.154 0.000 1.175 100 D HN 0.430 nan 8.370 nan 0.000 0.532 101 Q N 0.517 120.306 119.800 -0.017 0.000 2.364 101 Q HA 0.192 4.532 4.340 -0.000 0.000 0.267 101 Q C -1.596 174.399 176.000 -0.008 0.000 0.999 101 Q CA -0.964 54.811 55.803 -0.047 0.000 0.886 101 Q CB 0.169 28.820 28.738 -0.146 0.000 1.243 101 Q HN 0.192 nan 8.270 nan 0.000 0.415 102 P HA 0.061 nan 4.420 nan 0.000 0.257 102 P C 0.215 177.533 177.300 0.031 0.000 1.281 102 P CA 0.184 63.285 63.100 0.002 0.000 0.826 102 P CB 0.563 32.263 31.700 -0.002 0.000 1.237 103 D N -0.735 119.695 120.400 0.051 0.000 2.084 103 D HA -0.189 4.451 4.640 -0.000 0.000 0.196 103 D C 1.708 178.061 176.300 0.087 0.000 0.985 103 D CA 1.141 55.179 54.000 0.062 0.000 0.826 103 D CB -0.373 40.469 40.800 0.070 0.000 0.978 103 D HN 0.271 nan 8.370 nan 0.000 0.456 104 H N 1.352 120.428 119.070 0.010 0.000 2.390 104 H HA -0.155 4.400 4.556 -0.000 0.000 0.298 104 H C 1.753 177.072 175.328 -0.015 0.000 1.106 104 H CA 1.876 57.927 56.048 0.004 0.000 1.297 104 H CB -0.079 29.663 29.762 -0.033 0.000 1.375 104 H HN 0.108 nan 8.280 nan 0.000 0.509 105 N N 0.259 119.083 118.700 0.207 0.000 2.216 105 N HA -0.097 4.643 4.740 -0.000 0.000 0.183 105 N C 2.308 177.859 175.510 0.068 0.000 1.017 105 N CA 0.946 54.075 53.050 0.132 0.000 0.861 105 N CB -0.144 38.370 38.487 0.044 0.000 0.986 105 N HN 0.260 nan 8.380 nan 0.000 0.428 106 R N 0.399 120.926 120.500 0.045 0.000 2.070 106 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 106 R C 2.058 178.366 176.300 0.014 0.000 1.138 106 R CA 1.425 57.539 56.100 0.025 0.000 0.936 106 R CB -0.543 29.769 30.300 0.020 0.000 0.839 106 R HN 0.273 nan 8.270 nan 0.000 0.429 107 L N 0.428 121.651 121.223 -0.000 0.000 2.043 107 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 107 L C 2.911 179.765 176.870 -0.027 0.000 1.075 107 L CA 1.805 56.632 54.840 -0.022 0.000 0.752 107 L CB -0.547 41.482 42.059 -0.050 0.000 0.891 107 L HN 0.307 nan 8.230 nan 0.000 0.432 108 R N 0.465 120.944 120.500 -0.034 0.000 2.105 108 R HA -0.164 4.176 4.340 -0.000 0.000 0.239 108 R C 2.398 178.713 176.300 0.025 0.000 1.135 108 R CA 1.338 57.429 56.100 -0.015 0.000 0.967 108 R CB -0.079 30.238 30.300 0.030 0.000 0.861 108 R HN 0.287 nan 8.270 nan 0.000 0.442 109 R N -0.531 119.987 120.500 0.029 0.000 2.189 109 R HA -0.030 4.309 4.340 -0.000 0.000 0.223 109 R C 1.745 178.066 176.300 0.034 0.000 1.092 109 R CA 0.985 57.105 56.100 0.034 0.000 0.989 109 R CB -0.034 30.282 30.300 0.027 0.000 0.876 109 R HN 0.206 nan 8.270 nan 0.000 0.457 110 A N 0.341 123.178 122.820 0.029 0.000 2.251 110 A HA 0.070 4.389 4.320 -0.000 0.000 0.209 110 A C 1.586 179.200 177.584 0.050 0.000 1.187 110 A CA 0.659 52.716 52.037 0.032 0.000 0.823 110 A CB 0.185 19.199 19.000 0.024 0.000 0.846 110 A HN 0.228 nan 8.150 nan 0.000 0.486 111 V N -5.856 114.101 119.914 0.073 0.000 3.119 111 V HA 0.353 4.473 4.120 -0.000 0.000 0.245 111 V C 1.991 178.237 176.094 0.252 0.000 1.598 111 V CA 0.612 62.995 62.300 0.139 0.000 1.116 111 V CB -0.699 31.209 31.823 0.143 0.000 0.981 111 V HN 0.269 nan 8.190 nan 0.000 0.430 112 A N 1.936 124.868 122.820 0.186 0.000 2.032 112 A HA 0.002 4.321 4.320 -0.000 0.000 0.221 112 A C 2.283 179.992 177.584 0.208 0.000 1.165 112 A CA 2.495 54.667 52.037 0.225 0.000 0.645 112 A CB -1.347 17.721 19.000 0.115 0.000 0.807 112 A HN 0.990 nan 8.150 nan 0.000 0.453 113 G N -0.379 108.492 108.800 0.119 0.000 2.476 113 G HA2 -0.053 3.906 3.960 -0.000 0.000 0.218 113 G HA3 -0.053 3.906 3.960 -0.000 0.000 0.218 113 G C 1.516 176.421 174.900 0.008 0.000 1.164 113 G CA 1.268 46.401 45.100 0.054 0.000 0.768 113 G HN 0.990 nan 8.290 nan 0.000 0.560 114 A N -0.772 122.011 122.820 -0.061 0.000 2.259 114 A HA 0.514 4.833 4.320 -0.000 0.000 0.208 114 A C 1.160 178.461 177.584 -0.473 0.000 1.201 114 A CA 0.085 51.960 52.037 -0.269 0.000 0.824 114 A CB -0.223 18.547 19.000 -0.383 0.000 0.838 114 A HN 0.309 nan 8.150 nan 0.000 0.485 115 F N 0.216 120.152 119.950 -0.024 0.000 2.698 115 F HA 0.126 4.653 4.527 -0.000 0.000 0.304 115 F C 1.343 177.136 175.800 -0.013 0.000 1.108 115 F CA 0.166 58.151 58.000 -0.024 0.000 1.263 115 F CB 0.277 39.263 39.000 -0.023 0.000 1.013 115 F HN 0.135 nan 8.300 nan 0.000 0.532 116 T N -3.194 111.418 114.554 0.098 0.000 2.816 116 T HA 0.249 4.599 4.350 -0.000 0.000 0.282 116 T C 1.454 176.178 174.700 0.039 0.000 0.993 116 T CA -0.559 61.582 62.100 0.069 0.000 0.994 116 T CB 1.631 70.524 68.868 0.042 0.000 1.025 116 T HN -0.114 nan 8.240 nan 0.000 0.529 117 V N 2.081 122.015 119.914 0.033 0.000 2.252 117 V HA -0.107 4.013 4.120 -0.000 0.000 0.249 117 V C 2.957 179.058 176.094 0.012 0.000 1.056 117 V CA 2.555 64.869 62.300 0.023 0.000 1.022 117 V CB -1.633 30.201 31.823 0.018 0.000 0.641 117 V HN 1.136 nan 8.190 nan 0.000 0.445 118 G N -0.742 108.063 108.800 0.008 0.000 2.442 118 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.219 118 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.219 118 G C 1.682 176.577 174.900 -0.009 0.000 1.141 118 G CA 1.078 46.179 45.100 0.001 0.000 0.763 118 G HN 0.655 nan 8.290 nan 0.000 0.554 119 A N -0.116 122.694 122.820 -0.017 0.000 2.014 119 A HA 0.118 4.437 4.320 -0.000 0.000 0.218 119 A C 2.476 180.031 177.584 -0.049 0.000 1.163 119 A CA 2.131 54.142 52.037 -0.043 0.000 0.652 119 A CB -0.471 18.486 19.000 -0.072 0.000 0.808 119 A HN 0.274 nan 8.150 nan 0.000 0.449 120 T N -0.586 113.951 114.554 -0.027 0.000 2.896 120 T HA -0.045 4.305 4.350 -0.000 0.000 0.263 120 T C 1.954 176.651 174.700 -0.006 0.000 1.050 120 T CA 1.477 63.565 62.100 -0.019 0.000 1.140 120 T CB -0.059 68.812 68.868 0.006 0.000 0.877 120 T HN 0.494 nan 8.240 nan 0.000 0.457 121 K N 0.766 121.165 120.400 -0.000 0.000 2.148 121 K HA 0.044 4.364 4.320 -0.000 0.000 0.204 121 K C 2.507 179.107 176.600 0.001 0.000 1.050 121 K CA 0.736 57.026 56.287 0.005 0.000 0.942 121 K CB 0.019 32.523 32.500 0.007 0.000 0.724 121 K HN 0.093 nan 8.250 nan 0.000 0.446 122 R N 0.353 120.848 120.500 -0.009 0.000 2.115 122 R HA -0.084 4.256 4.340 -0.000 0.000 0.226 122 R C 2.113 178.405 176.300 -0.013 0.000 1.100 122 R CA 0.800 56.893 56.100 -0.011 0.000 0.980 122 R CB -0.028 30.260 30.300 -0.019 0.000 0.875 122 R HN 0.121 nan 8.270 nan 0.000 0.445 123 L N 0.917 122.128 121.223 -0.021 0.000 2.179 123 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 123 L C 2.277 179.148 176.870 0.002 0.000 1.096 123 L CA 1.379 56.205 54.840 -0.023 0.000 0.779 123 L CB -0.529 41.499 42.059 -0.051 0.000 0.922 123 L HN 0.057 nan 8.230 nan 0.000 0.443 124 R N 0.005 120.514 120.500 0.014 0.000 2.159 124 R HA -0.221 4.118 4.340 -0.000 0.000 0.252 124 R C -0.430 175.895 176.300 0.041 0.000 1.144 124 R CA 2.510 58.632 56.100 0.036 0.000 0.961 124 R CB -1.566 28.753 30.300 0.032 0.000 0.877 124 R HN 0.356 nan 8.270 nan 0.000 0.444 125 P HA -0.148 nan 4.420 nan 0.000 0.216 125 P C 0.851 178.171 177.300 0.033 0.000 1.153 125 P CA 1.297 64.412 63.100 0.025 0.000 0.848 125 P CB -0.144 31.566 31.700 0.015 0.000 0.787 126 R N 0.692 121.210 120.500 0.030 0.000 2.081 126 R HA -0.041 4.299 4.340 -0.000 0.000 0.235 126 R C 2.010 178.349 176.300 0.066 0.000 1.131 126 R CA 2.061 58.181 56.100 0.034 0.000 0.960 126 R CB -1.628 28.682 30.300 0.017 0.000 0.856 126 R HN 0.047 nan 8.270 nan 0.000 0.436 127 A N 0.256 123.127 122.820 0.085 0.000 1.902 127 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 127 A C 2.148 179.883 177.584 0.253 0.000 1.181 127 A CA 1.730 53.877 52.037 0.184 0.000 0.623 127 A CB -0.757 18.351 19.000 0.181 0.000 0.818 127 A HN 0.504 nan 8.150 nan 0.000 0.443 128 Q N -0.390 119.490 119.800 0.132 0.000 2.135 128 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 128 Q C 1.929 177.954 176.000 0.040 0.000 0.981 128 Q CA 1.997 57.834 55.803 0.058 0.000 0.856 128 Q CB -0.242 28.512 28.738 0.027 0.000 0.902 128 Q HN 0.579 nan 8.270 nan 0.000 0.425 129 E N -0.016 120.217 120.200 0.055 0.000 2.072 129 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 129 E C 1.988 178.622 176.600 0.057 0.000 0.985 129 E CA 1.142 57.566 56.400 0.040 0.000 0.801 129 E CB -0.249 29.472 29.700 0.036 0.000 0.750 129 E HN 0.521 nan 8.360 nan 0.000 0.452 130 I N 0.510 121.146 120.570 0.110 0.000 2.179 130 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 130 I C 2.461 178.667 176.117 0.149 0.000 1.088 130 I CA 0.608 61.998 61.300 0.150 0.000 1.357 130 I CB -0.310 37.815 38.000 0.209 0.000 1.051 130 I HN 0.130 nan 8.210 nan 0.000 0.409 131 L N 0.872 122.172 121.223 0.128 0.000 1.989 131 L HA -0.274 4.066 4.340 -0.000 0.000 0.211 131 L C 2.072 178.869 176.870 -0.122 0.000 1.071 131 L CA 2.033 56.771 54.840 -0.170 0.000 0.749 131 L CB -0.967 40.756 42.059 -0.561 0.000 0.890 131 L HN 0.226 nan 8.230 nan 0.000 0.431 132 D N -0.581 119.771 120.400 -0.081 0.000 2.190 132 D HA -0.161 4.478 4.640 -0.000 0.000 0.200 132 D C 2.014 178.287 176.300 -0.046 0.000 0.992 132 D CA 1.393 55.350 54.000 -0.071 0.000 0.854 132 D CB -0.219 40.554 40.800 -0.046 0.000 0.936 132 D HN 0.571 nan 8.370 nan 0.000 0.462 133 G N 0.648 109.439 108.800 -0.014 0.000 2.402 133 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.216 133 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.216 133 G C 1.857 176.754 174.900 -0.006 0.000 1.162 133 G CA 0.122 45.222 45.100 -0.001 0.000 0.777 133 G HN 0.246 nan 8.290 nan 0.000 0.539 134 L N 0.357 121.579 121.223 -0.002 0.000 2.083 134 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 134 L C 2.959 179.799 176.870 -0.050 0.000 1.083 134 L CA 0.403 55.239 54.840 -0.006 0.000 0.752 134 L CB -0.443 41.624 42.059 0.013 0.000 0.899 134 L HN 0.083 nan 8.230 nan 0.000 0.433 135 V N -0.411 119.448 119.914 -0.093 0.000 2.358 135 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 135 V C 2.101 178.132 176.094 -0.106 0.000 1.047 135 V CA 1.739 63.954 62.300 -0.141 0.000 1.035 135 V CB -0.540 31.177 31.823 -0.177 0.000 0.658 135 V HN 0.422 nan 8.190 nan 0.000 0.452 136 D N 0.846 121.207 120.400 -0.065 0.000 2.123 136 D HA -0.142 4.497 4.640 -0.000 0.000 0.196 136 D C 2.187 178.482 176.300 -0.008 0.000 0.992 136 D CA 1.716 55.696 54.000 -0.034 0.000 0.833 136 D CB -0.621 40.169 40.800 -0.018 0.000 0.954 136 D HN 0.473 nan 8.370 nan 0.000 0.455 137 G N 1.829 110.627 108.800 -0.004 0.000 2.480 137 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.216 137 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.216 137 G C 1.777 176.706 174.900 0.050 0.000 1.200 137 G CA 1.231 46.344 45.100 0.021 0.000 0.782 137 G HN 0.459 nan 8.290 nan 0.000 0.554 138 I N -1.369 119.222 120.570 0.036 0.000 2.454 138 I HA -0.008 4.162 4.170 -0.000 0.000 0.254 138 I C 2.519 178.764 176.117 0.214 0.000 1.156 138 I CA 0.959 62.329 61.300 0.117 0.000 1.433 138 I CB -0.316 37.706 38.000 0.036 0.000 1.082 138 I HN 0.110 nan 8.210 nan 0.000 0.432 139 L N 1.421 122.689 121.223 0.075 0.000 2.056 139 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 139 L C 3.100 180.059 176.870 0.149 0.000 1.078 139 L CA 1.321 56.233 54.840 0.120 0.000 0.749 139 L CB -0.603 41.444 42.059 -0.021 0.000 0.901 139 L HN 0.355 nan 8.230 nan 0.000 0.433 140 A N -0.074 122.807 122.820 0.103 0.000 1.902 140 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 140 A C 2.131 179.799 177.584 0.139 0.000 1.181 140 A CA 1.586 53.685 52.037 0.102 0.000 0.623 140 A CB -0.398 18.642 19.000 0.068 0.000 0.818 140 A HN 0.448 nan 8.150 nan 0.000 0.443 141 E N -1.139 119.148 120.200 0.145 0.000 2.072 141 E HA 0.259 4.609 4.350 -0.000 0.000 0.191 141 E C 0.943 177.642 176.600 0.166 0.000 0.985 141 E CA 0.443 56.926 56.400 0.138 0.000 0.801 141 E CB -0.183 29.591 29.700 0.124 0.000 0.750 141 E HN 0.759 nan 8.360 nan 0.000 0.452 142 G N 0.087 109.037 108.800 0.251 0.000 2.640 142 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.686 142 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.686 142 G C -2.339 172.518 174.900 -0.071 0.000 1.229 142 G CA -0.692 44.538 45.100 0.216 0.000 0.796 142 G HN -0.157 nan 8.290 nan 0.000 0.654 143 P HA -0.192 nan 4.420 nan 0.000 0.236 143 P C -2.037 174.594 177.300 -1.116 0.000 1.136 143 P CA 2.040 64.192 63.100 -1.580 0.000 0.948 143 P CB -0.596 30.599 31.700 -0.842 0.000 0.766 144 P HA 0.385 nan 4.420 nan 0.000 0.297 144 P C -1.159 176.136 177.300 -0.008 0.000 1.342 144 P CA 0.185 63.162 63.100 -0.205 0.000 0.801 144 P CB 1.291 32.919 31.700 -0.119 0.000 0.920 145 A N 2.574 125.487 122.820 0.155 0.000 2.488 145 A HA 0.501 4.821 4.320 -0.000 0.000 0.298 145 A C -1.157 176.540 177.584 0.187 0.000 1.044 145 A CA -0.531 51.654 52.037 0.246 0.000 0.693 145 A CB 1.074 20.349 19.000 0.459 0.000 1.272 145 A HN 0.378 nan 8.150 nan 0.000 0.402 146 D N 2.867 123.337 120.400 0.117 0.000 2.393 146 D HA 0.285 4.925 4.640 -0.000 0.000 0.232 146 D C 1.019 177.362 176.300 0.071 0.000 1.192 146 D CA -0.215 53.833 54.000 0.080 0.000 0.882 146 D CB 0.152 40.984 40.800 0.054 0.000 1.038 146 D HN 0.422 nan 8.370 nan 0.000 0.499 147 L N 3.137 124.401 121.223 0.067 0.000 2.043 147 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 147 L C 2.267 179.152 176.870 0.025 0.000 1.075 147 L CA 0.719 55.579 54.840 0.034 0.000 0.752 147 L CB -0.414 41.657 42.059 0.020 0.000 0.891 147 L HN 0.359 nan 8.230 nan 0.000 0.432 148 V N 0.018 119.946 119.914 0.023 0.000 2.233 148 V HA -0.346 3.774 4.120 -0.000 0.000 0.247 148 V C 2.553 178.666 176.094 0.032 0.000 1.050 148 V CA 2.281 64.592 62.300 0.019 0.000 1.010 148 V CB -0.558 31.267 31.823 0.004 0.000 0.637 148 V HN 0.535 nan 8.190 nan 0.000 0.444 149 E N -0.169 120.052 120.200 0.036 0.000 2.085 149 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 149 E C 2.240 178.872 176.600 0.054 0.000 0.994 149 E CA 1.115 57.542 56.400 0.045 0.000 0.801 149 E CB 0.063 29.788 29.700 0.041 0.000 0.743 149 E HN 0.379 nan 8.360 nan 0.000 0.453 150 R N -0.463 120.066 120.500 0.050 0.000 2.280 150 R HA 0.089 4.429 4.340 -0.000 0.000 0.195 150 R C 1.599 177.923 176.300 0.041 0.000 0.935 150 R CA 0.325 56.454 56.100 0.048 0.000 1.033 150 R CB 0.676 31.005 30.300 0.048 0.000 0.964 150 R HN 0.182 nan 8.270 nan 0.000 0.489 151 V N -0.815 119.122 119.914 0.037 0.000 3.261 151 V HA 0.048 4.168 4.120 -0.000 0.000 0.212 151 V C 1.953 178.100 176.094 0.087 0.000 1.381 151 V CA -0.027 62.293 62.300 0.033 0.000 1.322 151 V CB -0.155 31.640 31.823 -0.047 0.000 1.188 151 V HN -0.058 nan 8.190 nan 0.000 0.520 152 L N 0.532 121.791 121.223 0.059 0.000 2.131 152 L HA -0.091 4.248 4.340 -0.000 0.000 0.210 152 L C 2.582 179.489 176.870 0.062 0.000 1.092 152 L CA 1.755 56.639 54.840 0.073 0.000 0.759 152 L CB -0.383 41.697 42.059 0.035 0.000 0.903 152 L HN 0.431 nan 8.230 nan 0.000 0.435 153 E N 0.691 120.919 120.200 0.047 0.000 2.021 153 E HA -0.104 4.246 4.350 -0.000 0.000 0.189 153 E C -0.543 176.072 176.600 0.024 0.000 0.980 153 E CA 1.054 57.465 56.400 0.018 0.000 0.803 153 E CB -0.876 28.844 29.700 0.033 0.000 0.766 153 E HN 0.275 nan 8.360 nan 0.000 0.449 154 P HA -0.121 nan 4.420 nan 0.000 0.219 154 P C 1.752 179.114 177.300 0.104 0.000 1.150 154 P CA 0.847 64.016 63.100 0.115 0.000 0.814 154 P CB -0.347 31.491 31.700 0.229 0.000 0.787 155 F N 2.774 122.725 119.950 0.001 0.000 2.069 155 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 155 F C -0.892 174.893 175.800 -0.025 0.000 1.113 155 F CA 1.543 59.539 58.000 -0.006 0.000 1.214 155 F CB -1.974 37.019 39.000 -0.011 0.000 0.978 155 F HN -0.017 nan 8.300 nan 0.000 0.474 156 P HA -0.143 nan 4.420 nan 0.000 0.218 156 P C 2.130 179.260 177.300 -0.284 0.000 1.149 156 P CA 1.830 64.713 63.100 -0.361 0.000 0.817 156 P CB -0.088 31.522 31.700 -0.150 0.000 0.785 157 I N -0.662 119.766 120.570 -0.237 0.000 2.142 157 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 157 I C 2.294 178.268 176.117 -0.238 0.000 1.078 157 I CA 1.607 62.745 61.300 -0.271 0.000 1.343 157 I CB -0.812 36.892 38.000 -0.494 0.000 1.046 157 I HN -0.070 nan 8.210 nan 0.000 0.405 158 A N 0.380 123.077 122.820 -0.204 0.000 1.877 158 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 158 A C 2.413 179.911 177.584 -0.144 0.000 1.186 158 A CA 1.910 53.886 52.037 -0.102 0.000 0.620 158 A CB -1.042 17.958 19.000 -0.000 0.000 0.822 158 A HN 0.244 nan 8.150 nan 0.000 0.443 159 V N -0.437 119.308 119.914 -0.282 0.000 2.295 159 V HA -0.226 3.893 4.120 -0.000 0.000 0.246 159 V C 2.554 178.535 176.094 -0.188 0.000 1.049 159 V CA 1.986 64.124 62.300 -0.270 0.000 1.024 159 V CB -0.752 30.792 31.823 -0.466 0.000 0.648 159 V HN 0.364 nan 8.190 nan 0.000 0.447 160 V N -0.226 119.578 119.914 -0.183 0.000 2.490 160 V HA -0.210 3.910 4.120 -0.000 0.000 0.250 160 V C 2.477 178.521 176.094 -0.084 0.000 1.061 160 V CA 2.171 64.404 62.300 -0.112 0.000 1.064 160 V CB -0.480 31.302 31.823 -0.067 0.000 0.670 160 V HN 0.559 nan 8.190 nan 0.000 0.461 161 S N -0.841 114.820 115.700 -0.066 0.000 2.474 161 S HA -0.127 4.343 4.470 -0.000 0.000 0.235 161 S C 1.877 176.475 174.600 -0.003 0.000 0.997 161 S CA 0.838 59.034 58.200 -0.006 0.000 0.949 161 S CB -0.152 63.049 63.200 0.003 0.000 0.766 161 S HN 0.629 nan 8.310 nan 0.000 0.517 162 E N 0.750 120.921 120.200 -0.047 0.000 2.051 162 E HA -0.033 4.317 4.350 -0.000 0.000 0.189 162 E C 2.260 178.809 176.600 -0.086 0.000 0.979 162 E CA 0.797 57.170 56.400 -0.045 0.000 0.803 162 E CB -0.314 29.352 29.700 -0.058 0.000 0.761 162 E HN 0.305 nan 8.360 nan 0.000 0.451 163 V N 1.876 121.700 119.914 -0.150 0.000 2.287 163 V HA -0.274 3.845 4.120 -0.000 0.000 0.248 163 V C 2.441 178.380 176.094 -0.257 0.000 1.053 163 V CA 1.469 63.615 62.300 -0.256 0.000 1.027 163 V CB -0.417 31.169 31.823 -0.395 0.000 0.646 163 V HN 0.279 nan 8.190 nan 0.000 0.447 164 M N -0.548 118.921 119.600 -0.217 0.000 2.229 164 M HA 0.063 4.543 4.480 -0.000 0.000 0.264 164 M C 1.771 177.919 176.300 -0.254 0.000 1.063 164 M CA 1.598 56.685 55.300 -0.355 0.000 1.114 164 M CB -1.242 31.118 32.600 -0.400 0.000 1.387 164 M HN 0.635 nan 8.290 nan 0.000 0.420 165 G N 0.250 109.053 108.800 0.004 0.000 2.135 165 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.183 165 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.183 165 G C -0.073 175.052 174.900 0.374 0.000 1.004 165 G CA -0.116 45.081 45.100 0.161 0.000 0.677 165 G HN 0.289 nan 8.290 nan 0.000 0.512 166 V N 1.737 121.886 119.914 0.392 0.000 2.493 166 V HA 0.227 4.347 4.120 -0.000 0.000 0.292 166 V C -0.828 175.435 176.094 0.280 0.000 1.016 166 V CA -0.364 62.201 62.300 0.442 0.000 1.097 166 V CB 0.775 32.748 31.823 0.250 0.000 0.947 166 V HN 0.242 nan 8.190 nan 0.000 0.479 167 P HA 0.145 nan 4.420 nan 0.000 0.270 167 P C 0.624 178.009 177.300 0.141 0.000 1.223 167 P CA 0.095 63.318 63.100 0.205 0.000 0.785 167 P CB 0.708 32.544 31.700 0.227 0.000 0.923 168 A N 2.563 125.440 122.820 0.095 0.000 1.883 168 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 168 A C 2.079 179.691 177.584 0.045 0.000 1.186 168 A CA 2.132 54.205 52.037 0.060 0.000 0.624 168 A CB -1.802 17.225 19.000 0.045 0.000 0.822 168 A HN 0.555 nan 8.150 nan 0.000 0.444 169 A N -0.916 121.938 122.820 0.057 0.000 2.186 169 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 169 A C 0.907 178.507 177.584 0.027 0.000 1.159 169 A CA 1.670 53.731 52.037 0.040 0.000 0.680 169 A CB -0.273 18.761 19.000 0.056 0.000 0.787 169 A HN 0.443 nan 8.150 nan 0.000 0.467 170 D N -1.756 118.670 120.400 0.043 0.000 2.623 170 D HA 0.128 4.768 4.640 -0.000 0.000 0.252 170 D C 1.343 177.578 176.300 -0.109 0.000 1.294 170 D CA -0.224 53.755 54.000 -0.035 0.000 0.824 170 D CB 0.125 40.972 40.800 0.077 0.000 1.070 170 D HN 0.142 nan 8.370 nan 0.000 0.487 171 R N 0.634 121.106 120.500 -0.047 0.000 2.062 171 R HA -0.041 4.298 4.340 -0.000 0.000 0.229 171 R C 1.893 178.170 176.300 -0.038 0.000 1.128 171 R CA 0.773 56.859 56.100 -0.024 0.000 0.960 171 R CB -0.065 30.241 30.300 0.010 0.000 0.855 171 R HN 0.349 nan 8.270 nan 0.000 0.432 172 E N 0.439 120.585 120.200 -0.090 0.000 2.047 172 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 172 E C 2.100 178.584 176.600 -0.193 0.000 0.987 172 E CA 1.017 57.337 56.400 -0.134 0.000 0.799 172 E CB 0.135 29.747 29.700 -0.147 0.000 0.752 172 E HN 0.154 nan 8.360 nan 0.000 0.449 173 R N -0.248 120.066 120.500 -0.310 0.000 2.070 173 R HA -0.118 4.222 4.340 -0.000 0.000 0.233 173 R C 2.423 178.399 176.300 -0.540 0.000 1.137 173 R CA 1.525 57.271 56.100 -0.590 0.000 0.945 173 R CB -0.282 29.554 30.300 -0.774 0.000 0.845 173 R HN 0.102 nan 8.270 nan 0.000 0.430 174 V N 0.527 120.241 119.914 -0.334 0.000 2.490 174 V HA -0.256 3.864 4.120 -0.000 0.000 0.250 174 V C 2.307 178.424 176.094 0.039 0.000 1.061 174 V CA 1.750 64.004 62.300 -0.077 0.000 1.064 174 V CB -0.748 30.900 31.823 -0.292 0.000 0.670 174 V HN 0.442 nan 8.190 nan 0.000 0.461 175 H N 0.171 119.184 119.070 -0.095 0.000 2.299 175 H HA -0.131 4.425 4.556 -0.000 0.000 0.302 175 H C 2.634 177.942 175.328 -0.034 0.000 1.078 175 H CA 2.129 58.146 56.048 -0.051 0.000 1.323 175 H CB -0.237 29.484 29.762 -0.067 0.000 1.381 175 H HN 0.427 nan 8.280 nan 0.000 0.498 176 S N -0.211 115.569 115.700 0.133 0.000 2.368 176 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 176 S C 2.145 176.799 174.600 0.090 0.000 1.030 176 S CA 1.200 59.427 58.200 0.044 0.000 0.999 176 S CB -0.402 62.715 63.200 -0.139 0.000 0.844 176 S HN 0.464 nan 8.310 nan 0.000 0.459 177 W N 1.764 123.045 121.300 -0.031 0.000 2.352 177 W HA -0.021 4.639 4.660 -0.000 0.000 0.322 177 W C 2.798 179.291 176.519 -0.043 0.000 1.208 177 W CA 1.508 58.821 57.345 -0.054 0.000 1.286 177 W CB -1.626 27.782 29.460 -0.088 0.000 1.167 177 W HN 0.275 nan 8.180 nan 0.000 0.469 178 T N 0.346 115.031 114.554 0.218 0.000 2.778 178 T HA -0.208 4.142 4.350 -0.000 0.000 0.269 178 T C 1.484 176.221 174.700 0.061 0.000 1.050 178 T CA 1.122 63.278 62.100 0.094 0.000 1.137 178 T CB -0.367 68.518 68.868 0.028 0.000 0.860 178 T HN 0.021 nan 8.240 nan 0.000 0.468 179 R N 2.172 122.720 120.500 0.080 0.000 3.457 179 R HA -0.005 4.335 4.340 -0.000 0.000 0.218 179 R C 1.587 177.932 176.300 0.075 0.000 1.833 179 R CA 0.148 56.294 56.100 0.077 0.000 1.554 179 R CB -0.197 30.181 30.300 0.130 0.000 1.143 179 R HN 0.654 nan 8.270 nan 0.000 0.557 180 Q N -0.745 119.097 119.800 0.070 0.000 2.189 180 Q HA 0.105 4.445 4.340 -0.000 0.000 0.221 180 Q C 0.987 177.016 176.000 0.049 0.000 0.848 180 Q CA -0.048 55.789 55.803 0.057 0.000 1.007 180 Q CB 0.268 29.033 28.738 0.044 0.000 1.116 180 Q HN 0.391 nan 8.270 nan 0.000 0.481 181 I N 1.237 121.841 120.570 0.056 0.000 2.700 181 I HA -0.123 4.047 4.170 -0.000 0.000 0.261 181 I C 0.378 176.538 176.117 0.072 0.000 1.219 181 I CA 0.732 62.076 61.300 0.072 0.000 1.463 181 I CB -0.298 37.745 38.000 0.071 0.000 1.092 181 I HN 0.361 nan 8.210 nan 0.000 0.452 182 I N -0.754 119.849 120.570 0.054 0.000 9.058 182 I HA -0.304 3.866 4.170 -0.000 0.000 0.126 182 I C 1.078 177.219 176.117 0.040 0.000 1.865 182 I CA -0.060 61.264 61.300 0.040 0.000 2.042 182 I CB -0.528 37.490 38.000 0.029 0.000 3.943 182 I HN -0.017 nan 8.210 nan 0.000 0.170 183 S N 1.694 117.411 115.700 0.027 0.000 2.515 183 S HA -0.019 4.451 4.470 -0.000 0.000 0.231 183 S C 1.005 175.609 174.600 0.007 0.000 0.987 183 S CA 1.514 59.726 58.200 0.020 0.000 0.936 183 S CB 0.079 63.289 63.200 0.016 0.000 0.766 183 S HN 0.857 nan 8.310 nan 0.000 0.528 184 T N -1.352 113.204 114.554 0.004 0.000 4.042 184 T HA 0.022 4.371 4.350 -0.000 0.000 0.330 184 T C -0.031 174.665 174.700 -0.006 0.000 0.813 184 T CA 0.126 62.219 62.100 -0.011 0.000 1.275 184 T CB -0.229 68.633 68.868 -0.009 0.000 0.900 184 T HN 0.177 nan 8.240 nan 0.000 0.480 185 S N 0.830 116.531 115.700 0.002 0.000 2.779 185 S HA 0.309 4.779 4.470 -0.000 0.000 0.235 185 S C 0.919 175.524 174.600 0.008 0.000 0.764 185 S CA 0.020 58.222 58.200 0.004 0.000 1.050 185 S CB 0.716 63.916 63.200 -0.001 0.000 1.485 185 S HN 0.666 nan 8.310 nan 0.000 0.485 186 G N 1.775 110.582 108.800 0.011 0.000 3.286 186 G HA2 0.434 4.394 3.960 -0.000 0.000 0.213 186 G HA3 0.434 4.394 3.960 -0.000 0.000 0.213 186 G C 0.580 175.488 174.900 0.013 0.000 1.274 186 G CA 0.360 45.468 45.100 0.013 0.000 1.218 186 G HN 0.861 nan 8.290 nan 0.000 0.504 187 G N -2.257 106.550 108.800 0.012 0.000 2.088 187 G HA2 0.510 4.470 3.960 -0.000 0.000 0.222 187 G HA3 0.510 4.470 3.960 -0.000 0.000 0.222 187 G C 0.242 175.148 174.900 0.010 0.000 1.690 187 G CA -0.124 44.983 45.100 0.011 0.000 0.923 187 G HN 0.657 nan 8.290 nan 0.000 0.730 188 A N 1.469 124.295 122.820 0.010 0.000 1.835 188 A HA 0.496 4.816 4.320 -0.000 0.000 0.213 188 A C 2.265 179.853 177.584 0.007 0.000 1.210 188 A CA 2.459 54.504 52.037 0.013 0.000 0.605 188 A CB -0.721 18.289 19.000 0.017 0.000 0.860 188 A HN 1.748 nan 8.150 nan 0.000 0.447 189 E N -0.518 119.684 120.200 0.004 0.000 2.371 189 E HA 0.363 4.713 4.350 -0.000 0.000 0.194 189 E C 1.974 178.572 176.600 -0.003 0.000 1.012 189 E CA 1.165 57.563 56.400 -0.004 0.000 0.860 189 E CB -0.881 28.817 29.700 -0.003 0.000 0.811 189 E HN 0.917 nan 8.360 nan 0.000 0.502 190 A N 0.320 123.143 122.820 0.005 0.000 2.125 190 A HA 0.346 4.666 4.320 -0.000 0.000 0.219 190 A C 2.531 180.122 177.584 0.011 0.000 1.156 190 A CA 1.918 53.962 52.037 0.012 0.000 0.671 190 A CB -0.239 18.770 19.000 0.015 0.000 0.794 190 A HN 0.890 nan 8.150 nan 0.000 0.459 191 A N -1.302 121.517 122.820 -0.001 0.000 2.085 191 A HA 0.165 4.484 4.320 -0.000 0.000 0.208 191 A C 1.810 179.360 177.584 -0.056 0.000 1.191 191 A CA 0.609 52.638 52.037 -0.014 0.000 0.799 191 A CB -0.040 18.958 19.000 -0.005 0.000 0.877 191 A HN 0.321 nan 8.150 nan 0.000 0.473 192 E N 0.296 120.464 120.200 -0.052 0.000 2.152 192 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 192 E C 2.046 178.583 176.600 -0.105 0.000 0.983 192 E CA 0.660 57.009 56.400 -0.086 0.000 0.818 192 E CB -0.124 29.544 29.700 -0.054 0.000 0.758 192 E HN 0.387 nan 8.360 nan 0.000 0.467 193 R N 0.965 121.433 120.500 -0.053 0.000 2.070 193 R HA -0.061 4.279 4.340 -0.000 0.000 0.233 193 R C 2.239 178.518 176.300 -0.035 0.000 1.137 193 R CA 1.640 57.727 56.100 -0.021 0.000 0.945 193 R CB -0.772 29.544 30.300 0.026 0.000 0.845 193 R HN 0.161 nan 8.270 nan 0.000 0.430 194 A N 1.338 124.147 122.820 -0.017 0.000 1.902 194 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 194 A C 1.968 179.317 177.584 -0.393 0.000 1.181 194 A CA 2.037 54.076 52.037 0.004 0.000 0.623 194 A CB -0.538 18.515 19.000 0.089 0.000 0.818 194 A HN 0.466 nan 8.150 nan 0.000 0.443 195 K N -0.531 119.609 120.400 -0.433 0.000 2.057 195 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 195 K C 2.062 178.152 176.600 -0.849 0.000 1.050 195 K CA 1.565 57.335 56.287 -0.862 0.000 0.935 195 K CB -0.280 31.751 32.500 -0.782 0.000 0.715 195 K HN 0.206 nan 8.250 nan 0.000 0.439 196 R N 1.229 121.459 120.500 -0.451 0.000 2.115 196 R HA -0.116 4.224 4.340 -0.000 0.000 0.239 196 R C 2.340 178.451 176.300 -0.315 0.000 1.133 196 R CA 2.440 58.379 56.100 -0.270 0.000 0.935 196 R CB -1.353 28.867 30.300 -0.132 0.000 0.853 196 R HN 0.433 nan 8.270 nan 0.000 0.433 197 G N 0.643 109.191 108.800 -0.420 0.000 2.484 197 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.215 197 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.215 197 G C 1.378 175.485 174.900 -1.321 0.000 1.219 197 G CA 0.818 45.579 45.100 -0.565 0.000 0.791 197 G HN 0.374 nan 8.290 nan 0.000 0.550 198 L N -0.040 119.893 121.223 -2.151 0.000 2.034 198 L HA -0.211 4.129 4.340 -0.000 0.000 0.217 198 L C 2.686 179.404 176.870 -0.253 0.000 1.077 198 L CA 1.904 55.965 54.840 -1.299 0.000 0.769 198 L CB -0.815 40.838 42.059 -0.677 0.000 0.890 198 L HN 0.486 nan 8.230 nan 0.000 0.435 199 Y N -1.305 118.787 120.300 -0.346 0.000 2.352 199 Y HA -0.103 4.446 4.550 -0.000 0.000 0.292 199 Y C 2.375 178.203 175.900 -0.119 0.000 1.136 199 Y CA 0.054 58.063 58.100 -0.151 0.000 1.227 199 Y CB -0.467 37.919 38.460 -0.123 0.000 0.991 199 Y HN 0.408 nan 8.280 nan 0.000 0.545 200 G N -0.191 108.610 108.800 0.003 0.000 2.394 200 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.214 200 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.214 200 G C 1.258 176.177 174.900 0.032 0.000 1.176 200 G CA 0.465 45.572 45.100 0.011 0.000 0.786 200 G HN 0.555 nan 8.290 nan 0.000 0.533 201 W N 1.370 122.587 121.300 -0.138 0.000 2.318 201 W HA -0.105 4.555 4.660 -0.000 0.000 0.313 201 W C 2.362 178.822 176.519 -0.099 0.000 1.221 201 W CA 1.718 59.038 57.345 -0.042 0.000 1.266 201 W CB -0.239 29.255 29.460 0.056 0.000 1.150 201 W HN 0.172 nan 8.180 nan 0.000 0.496 202 I N -0.133 120.473 120.570 0.059 0.000 2.163 202 I HA -0.375 3.794 4.170 -0.000 0.000 0.243 202 I C 2.346 178.293 176.117 -0.283 0.000 1.085 202 I CA 1.962 63.145 61.300 -0.194 0.000 1.347 202 I CB -1.157 36.897 38.000 0.091 0.000 1.044 202 I HN -0.058 nan 8.210 nan 0.000 0.408 203 T N 0.333 114.796 114.554 -0.151 0.000 2.699 203 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 203 T C 1.667 176.254 174.700 -0.189 0.000 1.036 203 T CA 1.596 63.615 62.100 -0.135 0.000 1.147 203 T CB -0.335 68.485 68.868 -0.080 0.000 0.862 203 T HN 0.451 nan 8.240 nan 0.000 0.446 204 E N 0.785 120.842 120.200 -0.237 0.000 2.007 204 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 204 E C 2.535 178.921 176.600 -0.356 0.000 0.999 204 E CA 1.529 57.774 56.400 -0.258 0.000 0.811 204 E CB -0.502 29.041 29.700 -0.261 0.000 0.762 204 E HN 0.320 nan 8.360 nan 0.000 0.450 205 T N 1.118 115.294 114.554 -0.630 0.000 2.760 205 T HA -0.157 4.192 4.350 -0.000 0.000 0.269 205 T C 2.005 176.466 174.700 -0.398 0.000 1.047 205 T CA 1.150 62.839 62.100 -0.685 0.000 1.139 205 T CB -0.199 67.872 68.868 -1.329 0.000 0.855 205 T HN -0.032 nan 8.240 nan 0.000 0.471 206 V N 0.654 120.379 119.914 -0.314 0.000 2.591 206 V HA -0.066 4.054 4.120 -0.000 0.000 0.249 206 V C 2.550 178.577 176.094 -0.112 0.000 1.053 206 V CA 1.332 63.545 62.300 -0.146 0.000 1.068 206 V CB -0.486 31.285 31.823 -0.086 0.000 0.689 206 V HN 0.339 nan 8.190 nan 0.000 0.462 207 R N 0.357 120.778 120.500 -0.131 0.000 2.073 207 R HA 0.003 4.343 4.340 -0.000 0.000 0.234 207 R C 1.298 177.546 176.300 -0.087 0.000 1.134 207 R CA 1.171 57.214 56.100 -0.094 0.000 0.952 207 R CB -0.378 29.865 30.300 -0.095 0.000 0.850 207 R HN 0.519 nan 8.270 nan 0.000 0.433 208 A N 0.586 123.336 122.820 -0.116 0.000 2.366 208 A HA 0.217 4.537 4.320 -0.000 0.000 0.249 208 A C 0.017 177.555 177.584 -0.076 0.000 1.084 208 A CA -0.028 51.953 52.037 -0.093 0.000 0.794 208 A CB 0.214 19.143 19.000 -0.118 0.000 1.034 208 A HN 0.533 nan 8.150 nan 0.000 0.491 209 R N -0.697 119.776 120.500 -0.045 0.000 3.854 209 R HA -0.225 4.115 4.340 -0.000 0.000 0.352 209 R C 1.240 177.529 176.300 -0.018 0.000 1.156 209 R CA 0.662 56.748 56.100 -0.023 0.000 0.917 209 R CB -2.499 27.791 30.300 -0.017 0.000 1.471 209 R HN 1.231 nan 8.270 nan 0.000 0.521 210 A N 0.482 123.287 122.820 -0.025 0.000 1.915 210 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 210 A C 1.617 179.195 177.584 -0.010 0.000 1.198 210 A CA 2.112 54.137 52.037 -0.020 0.000 0.647 210 A CB -0.215 18.773 19.000 -0.020 0.000 0.825 210 A HN 0.665 nan 8.150 nan 0.000 0.456 211 G N -0.769 108.027 108.800 -0.007 0.000 4.988 211 G HA2 0.431 4.391 3.960 -0.000 0.000 0.227 211 G HA3 0.431 4.391 3.960 -0.000 0.000 0.227 211 G C -0.041 174.860 174.900 0.001 0.000 0.955 211 G CA 0.601 45.700 45.100 -0.002 0.000 0.784 211 G HN 0.781 nan 8.290 nan 0.000 0.537 212 S N -0.554 115.148 115.700 0.004 0.000 2.584 212 S HA 0.433 4.903 4.470 -0.000 0.000 0.273 212 S C -0.052 174.554 174.600 0.010 0.000 1.311 212 S CA -0.562 57.642 58.200 0.007 0.000 1.034 212 S CB 2.044 65.250 63.200 0.011 0.000 0.939 212 S HN 0.271 nan 8.310 nan 0.000 0.513 213 E N 1.568 121.773 120.200 0.009 0.000 2.069 213 E HA 0.406 4.756 4.350 -0.000 0.000 0.254 213 E C 0.127 176.733 176.600 0.010 0.000 1.088 213 E CA -0.473 55.932 56.400 0.008 0.000 1.017 213 E CB 0.384 30.088 29.700 0.006 0.000 1.226 213 E HN 0.753 nan 8.360 nan 0.000 0.458 214 G N -0.118 108.690 108.800 0.013 0.000 2.495 214 G HA2 0.410 4.370 3.960 -0.000 0.000 0.318 214 G HA3 0.410 4.370 3.960 -0.000 0.000 0.318 214 G C 0.672 175.575 174.900 0.005 0.000 1.257 214 G CA -0.763 44.344 45.100 0.012 0.000 0.962 214 G HN 0.379 nan 8.290 nan 0.000 0.483 215 G N 0.613 109.409 108.800 -0.005 0.000 2.623 215 G HA2 0.076 4.036 3.960 -0.000 0.000 0.214 215 G HA3 0.076 4.036 3.960 -0.000 0.000 0.214 215 G C 0.581 175.457 174.900 -0.039 0.000 1.138 215 G CA 0.731 45.819 45.100 -0.020 0.000 0.794 215 G HN 0.797 nan 8.290 nan 0.000 0.535 216 D N 0.131 120.511 120.400 -0.033 0.000 2.368 216 D HA 0.117 4.757 4.640 -0.000 0.000 0.240 216 D C 1.507 177.775 176.300 -0.053 0.000 1.169 216 D CA -0.468 53.497 54.000 -0.059 0.000 0.906 216 D CB 1.104 41.893 40.800 -0.018 0.000 1.187 216 D HN -0.079 nan 8.370 nan 0.000 0.435 217 V N 1.211 121.052 119.914 -0.122 0.000 2.255 217 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 217 V C 2.035 178.113 176.094 -0.027 0.000 1.051 217 V CA 1.682 63.917 62.300 -0.108 0.000 1.018 217 V CB -1.243 30.459 31.823 -0.202 0.000 0.641 217 V HN 0.633 nan 8.190 nan 0.000 0.445 218 Y N 0.033 120.362 120.300 0.048 0.000 2.651 218 Y HA -0.173 4.377 4.550 -0.000 0.000 0.293 218 Y C 2.519 178.418 175.900 -0.001 0.000 1.151 218 Y CA 0.589 58.707 58.100 0.029 0.000 1.362 218 Y CB 0.003 38.496 38.460 0.055 0.000 0.973 218 Y HN 0.248 nan 8.280 nan 0.000 0.561 219 S N -0.684 115.098 115.700 0.138 0.000 2.527 219 S HA -0.040 4.430 4.470 -0.000 0.000 0.225 219 S C 1.846 176.478 174.600 0.052 0.000 1.046 219 S CA 0.153 58.398 58.200 0.076 0.000 0.929 219 S CB -0.153 63.080 63.200 0.054 0.000 0.851 219 S HN 0.303 nan 8.310 nan 0.000 0.565 220 M N 1.686 121.310 119.600 0.041 0.000 2.088 220 M HA -0.157 4.322 4.480 -0.000 0.000 0.256 220 M C 2.191 178.513 176.300 0.037 0.000 1.071 220 M CA 1.486 56.804 55.300 0.031 0.000 1.097 220 M CB -0.505 32.110 32.600 0.025 0.000 1.315 220 M HN 0.240 nan 8.290 nan 0.000 0.406 221 L N 0.267 121.523 121.223 0.054 0.000 2.042 221 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 221 L C 2.290 179.186 176.870 0.043 0.000 1.076 221 L CA 2.296 57.169 54.840 0.056 0.000 0.749 221 L CB -1.703 40.412 42.059 0.093 0.000 0.893 221 L HN 0.396 nan 8.230 nan 0.000 0.432 222 G N -0.584 108.244 108.800 0.048 0.000 2.511 222 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.216 222 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.216 222 G C 1.721 176.625 174.900 0.008 0.000 1.218 222 G CA 1.527 46.637 45.100 0.016 0.000 0.788 222 G HN 0.592 nan 8.290 nan 0.000 0.560 223 A N 1.290 124.118 122.820 0.012 0.000 1.884 223 A HA 0.011 4.331 4.320 -0.000 0.000 0.219 223 A C 2.879 180.467 177.584 0.006 0.000 1.197 223 A CA 3.218 55.260 52.037 0.007 0.000 0.637 223 A CB -1.170 17.836 19.000 0.010 0.000 0.827 223 A HN 1.154 nan 8.150 nan 0.000 0.450 224 A N -0.991 121.836 122.820 0.011 0.000 1.948 224 A HA -0.028 4.292 4.320 -0.000 0.000 0.220 224 A C 2.274 179.860 177.584 0.004 0.000 1.177 224 A CA 2.025 54.067 52.037 0.009 0.000 0.636 224 A CB -0.994 18.014 19.000 0.013 0.000 0.815 224 A HN 0.449 nan 8.150 nan 0.000 0.449 225 V N -0.211 119.704 119.914 0.002 0.000 2.223 225 V HA -0.164 3.956 4.120 -0.000 0.000 0.244 225 V C 2.752 178.841 176.094 -0.009 0.000 1.045 225 V CA 2.031 64.328 62.300 -0.006 0.000 1.000 225 V CB -1.504 30.312 31.823 -0.011 0.000 0.635 225 V HN 0.599 nan 8.190 nan 0.000 0.445 226 G N -0.528 108.266 108.800 -0.010 0.000 2.615 226 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.213 226 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.213 226 G C 1.364 176.260 174.900 -0.007 0.000 1.135 226 G CA 0.326 45.419 45.100 -0.011 0.000 0.772 226 G HN 0.526 nan 8.290 nan 0.000 0.542 227 R N -0.967 119.530 120.500 -0.004 0.000 2.565 227 R HA 0.262 4.601 4.340 -0.000 0.000 0.347 227 R C 1.558 177.857 176.300 -0.002 0.000 1.010 227 R CA 0.244 56.342 56.100 -0.003 0.000 1.126 227 R CB 0.604 30.904 30.300 -0.000 0.000 1.331 227 R HN 0.216 nan 8.270 nan 0.000 0.552 228 G N 1.717 110.515 108.800 -0.004 0.000 2.187 228 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.261 228 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.261 228 G C 0.695 175.595 174.900 -0.001 0.000 1.000 228 G CA 1.075 46.172 45.100 -0.003 0.000 0.718 228 G HN 0.408 nan 8.290 nan 0.000 0.519 229 E N -0.720 119.480 120.200 0.001 0.000 2.107 229 E HA 0.231 4.581 4.350 -0.000 0.000 0.191 229 E C 1.431 178.032 176.600 0.003 0.000 0.982 229 E CA 1.637 58.039 56.400 0.003 0.000 0.809 229 E CB 0.194 29.897 29.700 0.006 0.000 0.756 229 E HN 1.114 nan 8.360 nan 0.000 0.459 230 V N -1.952 117.963 119.914 0.001 0.000 2.763 230 V HA 0.594 4.713 4.120 -0.000 0.000 0.257 230 V C 0.218 176.309 176.094 -0.005 0.000 0.906 230 V CA -0.616 61.684 62.300 -0.001 0.000 0.894 230 V CB 0.623 32.447 31.823 0.002 0.000 1.052 230 V HN 0.093 nan 8.190 nan 0.000 0.491 231 G N 1.411 110.206 108.800 -0.007 0.000 2.699 231 G HA2 0.343 4.303 3.960 -0.000 0.000 0.246 231 G HA3 0.343 4.303 3.960 -0.000 0.000 0.246 231 G C 0.194 175.084 174.900 -0.017 0.000 1.219 231 G CA 0.026 45.119 45.100 -0.012 0.000 0.866 231 G HN 0.794 nan 8.290 nan 0.000 0.572 232 E N -1.066 119.121 120.200 -0.023 0.000 2.617 232 E HA -0.065 4.285 4.350 -0.000 0.000 0.269 232 E C 1.385 177.966 176.600 -0.030 0.000 1.384 232 E CA 1.413 57.795 56.400 -0.030 0.000 1.195 232 E CB -0.040 29.640 29.700 -0.034 0.000 0.975 232 E HN 0.624 nan 8.360 nan 0.000 0.516 233 T N -0.013 114.518 114.554 -0.038 0.000 7.880 233 T HA -0.222 4.127 4.350 -0.000 0.000 0.303 233 T C 0.774 175.448 174.700 -0.044 0.000 2.087 233 T CA 1.776 63.852 62.100 -0.040 0.000 3.396 233 T CB -0.912 67.937 68.868 -0.032 0.000 1.703 233 T HN 0.582 nan 8.240 nan 0.000 0.997 234 E N -0.231 119.947 120.200 -0.037 0.000 2.562 234 E HA 0.508 4.858 4.350 -0.000 0.000 0.214 234 E C 2.102 178.679 176.600 -0.037 0.000 0.979 234 E CA 0.465 56.845 56.400 -0.034 0.000 1.002 234 E CB 0.294 29.983 29.700 -0.019 0.000 1.048 234 E HN 0.560 nan 8.360 nan 0.000 0.488 235 A N 1.099 123.894 122.820 -0.041 0.000 1.821 235 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 235 A C 2.324 179.873 177.584 -0.058 0.000 1.216 235 A CA 1.374 53.392 52.037 -0.032 0.000 0.615 235 A CB -0.981 17.994 19.000 -0.040 0.000 0.862 235 A HN 0.087 nan 8.150 nan 0.000 0.450 236 V N 0.333 120.174 119.914 -0.122 0.000 2.278 236 V HA -0.284 3.835 4.120 -0.000 0.000 0.251 236 V C 2.797 178.741 176.094 -0.251 0.000 1.062 236 V CA 2.332 64.475 62.300 -0.262 0.000 1.038 236 V CB -1.701 29.889 31.823 -0.390 0.000 0.646 236 V HN 0.715 nan 8.190 nan 0.000 0.447 237 G N -1.345 107.355 108.800 -0.166 0.000 2.462 237 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 237 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 237 G C 1.565 176.427 174.900 -0.063 0.000 1.121 237 G CA 0.927 45.962 45.100 -0.109 0.000 0.758 237 G HN 0.462 nan 8.290 nan 0.000 0.559 238 L N -0.370 120.822 121.223 -0.052 0.000 2.221 238 L HA 0.295 4.635 4.340 -0.000 0.000 0.202 238 L C 2.990 179.849 176.870 -0.019 0.000 1.074 238 L CA 1.091 55.913 54.840 -0.031 0.000 0.795 238 L CB -0.067 41.982 42.059 -0.017 0.000 0.960 238 L HN 0.293 nan 8.230 nan 0.000 0.458 239 A N -0.536 122.287 122.820 0.004 0.000 1.984 239 A HA 0.084 4.404 4.320 -0.000 0.000 0.214 239 A C 2.159 179.776 177.584 0.056 0.000 1.173 239 A CA 0.887 52.962 52.037 0.063 0.000 0.673 239 A CB -0.809 18.313 19.000 0.204 0.000 0.830 239 A HN 0.443 nan 8.150 nan 0.000 0.453 240 G N 1.099 109.870 108.800 -0.049 0.000 2.586 240 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 240 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 240 G C -0.210 174.725 174.900 0.059 0.000 1.216 240 G CA 1.548 46.606 45.100 -0.069 0.000 0.786 240 G HN 0.461 nan 8.290 nan 0.000 0.583 241 P HA -0.074 nan 4.420 nan 0.000 0.214 241 P C 2.150 179.470 177.300 0.033 0.000 1.163 241 P CA 0.945 64.068 63.100 0.038 0.000 0.889 241 P CB -0.209 31.496 31.700 0.009 0.000 0.790 242 L N -1.077 120.154 121.223 0.013 0.000 2.012 242 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 242 L C 2.737 179.658 176.870 0.086 0.000 1.073 242 L CA 1.545 56.404 54.840 0.032 0.000 0.748 242 L CB -1.187 40.908 42.059 0.059 0.000 0.891 242 L HN -0.032 nan 8.230 nan 0.000 0.431 243 Q N 0.365 120.227 119.800 0.103 0.000 2.170 243 Q HA -0.166 4.174 4.340 -0.000 0.000 0.203 243 Q C 1.890 177.953 176.000 0.104 0.000 0.976 243 Q CA 1.624 57.505 55.803 0.130 0.000 0.858 243 Q CB 0.047 28.932 28.738 0.246 0.000 0.907 243 Q HN 0.408 nan 8.270 nan 0.000 0.433 244 I N -0.524 120.110 120.570 0.106 0.000 3.603 244 I HA 0.118 4.288 4.170 -0.000 0.000 0.297 244 I C 1.913 178.062 176.117 0.054 0.000 1.269 244 I CA 0.906 62.258 61.300 0.086 0.000 1.361 244 I CB -1.287 36.785 38.000 0.119 0.000 1.063 244 I HN 0.328 nan 8.210 nan 0.000 0.448 245 G N 1.662 110.491 108.800 0.049 0.000 2.507 245 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.221 245 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.221 245 G C 1.729 176.642 174.900 0.021 0.000 1.119 245 G CA 0.987 46.109 45.100 0.036 0.000 0.751 245 G HN 0.445 nan 8.290 nan 0.000 0.574 246 G N 0.589 109.386 108.800 -0.005 0.000 2.503 246 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.221 246 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.221 246 G C 1.481 176.341 174.900 -0.067 0.000 1.131 246 G CA 1.243 46.316 45.100 -0.045 0.000 0.756 246 G HN 0.579 nan 8.290 nan 0.000 0.572 247 E N 0.624 120.781 120.200 -0.072 0.000 2.233 247 E HA -0.161 4.189 4.350 -0.000 0.000 0.199 247 E C 2.638 179.097 176.600 -0.235 0.000 1.004 247 E CA 1.071 57.367 56.400 -0.173 0.000 0.819 247 E CB -0.272 29.403 29.700 -0.043 0.000 0.738 247 E HN 0.413 nan 8.360 nan 0.000 0.478 248 A N 0.316 123.135 122.820 -0.003 0.000 1.969 248 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 248 A C 2.335 180.000 177.584 0.134 0.000 1.169 248 A CA 1.244 53.377 52.037 0.160 0.000 0.635 248 A CB -0.328 18.792 19.000 0.199 0.000 0.810 248 A HN 0.224 nan 8.150 nan 0.000 0.445 249 V N -0.555 119.380 119.914 0.035 0.000 2.453 249 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 249 V C 2.684 178.789 176.094 0.019 0.000 1.048 249 V CA 2.278 64.608 62.300 0.049 0.000 1.049 249 V CB -1.158 30.693 31.823 0.046 0.000 0.672 249 V HN 0.572 nan 8.190 nan 0.000 0.457 250 T N -0.714 113.780 114.554 -0.100 0.000 2.684 250 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 250 T C 1.822 176.458 174.700 -0.106 0.000 1.036 250 T CA 1.940 63.949 62.100 -0.152 0.000 1.148 250 T CB -0.335 68.346 68.868 -0.312 0.000 0.863 250 T HN 0.550 nan 8.240 nan 0.000 0.436 251 H N 0.583 119.694 119.070 0.068 0.000 2.307 251 H HA 0.085 4.641 4.556 -0.000 0.000 0.303 251 H C 2.431 177.822 175.328 0.105 0.000 1.073 251 H CA 1.288 57.362 56.048 0.043 0.000 1.338 251 H CB -0.895 28.867 29.762 0.001 0.000 1.389 251 H HN 0.319 nan 8.280 nan 0.000 0.503 252 N N 0.513 119.406 118.700 0.321 0.000 2.043 252 N HA -0.139 4.601 4.740 -0.000 0.000 0.193 252 N C 1.903 177.515 175.510 0.170 0.000 1.037 252 N CA 1.583 54.802 53.050 0.282 0.000 0.851 252 N CB -0.080 38.520 38.487 0.187 0.000 1.027 252 N HN -0.030 nan 8.380 nan 0.000 0.422 253 V N -0.008 119.981 119.914 0.125 0.000 2.490 253 V HA -0.095 4.025 4.120 -0.000 0.000 0.250 253 V C 2.265 178.417 176.094 0.096 0.000 1.061 253 V CA 1.809 64.168 62.300 0.099 0.000 1.064 253 V CB -1.164 30.710 31.823 0.085 0.000 0.670 253 V HN 0.526 nan 8.190 nan 0.000 0.461 254 G N -1.038 107.816 108.800 0.091 0.000 2.422 254 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.218 254 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.218 254 G C 1.495 176.447 174.900 0.087 0.000 1.146 254 G CA 0.560 45.695 45.100 0.057 0.000 0.769 254 G HN 0.517 nan 8.290 nan 0.000 0.547 255 Q N -0.493 119.394 119.800 0.144 0.000 2.119 255 Q HA 0.037 4.377 4.340 -0.000 0.000 0.201 255 Q C 2.705 178.878 176.000 0.288 0.000 0.972 255 Q CA 0.959 56.916 55.803 0.258 0.000 0.847 255 Q CB -0.199 28.728 28.738 0.315 0.000 0.903 255 Q HN 0.515 nan 8.270 nan 0.000 0.433 256 M N 0.169 119.888 119.600 0.199 0.000 2.132 256 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 256 M C 2.142 178.518 176.300 0.127 0.000 1.065 256 M CA 1.277 56.668 55.300 0.151 0.000 1.122 256 M CB -0.225 32.437 32.600 0.103 0.000 1.365 256 M HN 0.199 nan 8.290 nan 0.000 0.411 257 L N -1.289 120.005 121.223 0.119 0.000 2.093 257 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 257 L C 2.611 179.551 176.870 0.117 0.000 1.085 257 L CA 1.331 56.221 54.840 0.084 0.000 0.755 257 L CB -0.741 41.353 42.059 0.059 0.000 0.904 257 L HN 0.274 nan 8.230 nan 0.000 0.435 258 Y N 0.960 121.299 120.300 0.065 0.000 2.128 258 Y HA -0.276 4.274 4.550 -0.000 0.000 0.284 258 Y C 2.434 178.400 175.900 0.111 0.000 1.154 258 Y CA 1.627 59.790 58.100 0.105 0.000 1.149 258 Y CB -0.193 38.380 38.460 0.188 0.000 0.976 258 Y HN -0.010 nan 8.280 nan 0.000 0.505 259 L N -0.890 120.493 121.223 0.266 0.000 2.042 259 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 259 L C 2.324 179.168 176.870 -0.044 0.000 1.076 259 L CA 0.942 55.838 54.840 0.092 0.000 0.749 259 L CB -0.732 41.376 42.059 0.082 0.000 0.893 259 L HN 0.285 nan 8.230 nan 0.000 0.432 260 L N -0.507 120.707 121.223 -0.015 0.000 2.083 260 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 260 L C 2.314 179.144 176.870 -0.068 0.000 1.083 260 L CA 1.693 56.510 54.840 -0.039 0.000 0.752 260 L CB -0.668 41.382 42.059 -0.014 0.000 0.899 260 L HN 0.184 nan 8.230 nan 0.000 0.433 261 L N -1.301 119.868 121.223 -0.091 0.000 2.395 261 L HA -0.086 4.254 4.340 -0.000 0.000 0.218 261 L C 1.897 178.662 176.870 -0.174 0.000 1.130 261 L CA 1.300 56.072 54.840 -0.113 0.000 0.826 261 L CB -0.543 41.461 42.059 -0.091 0.000 0.941 261 L HN 0.449 nan 8.230 nan 0.000 0.451 262 T N -4.552 109.846 114.554 -0.261 0.000 3.010 262 T HA 0.151 4.501 4.350 -0.000 0.000 0.257 262 T C 0.976 175.589 174.700 -0.146 0.000 1.020 262 T CA -0.382 61.566 62.100 -0.253 0.000 0.938 262 T CB 0.222 68.814 68.868 -0.461 0.000 1.049 262 T HN 0.142 nan 8.240 nan 0.000 0.522 263 R N 1.473 121.899 120.500 -0.124 0.000 2.651 263 R HA 0.404 4.744 4.340 -0.000 0.000 0.282 263 R C 0.693 176.950 176.300 -0.072 0.000 1.565 263 R CA -0.817 55.228 56.100 -0.091 0.000 1.661 263 R CB 0.543 30.780 30.300 -0.106 0.000 1.189 263 R HN -0.020 nan 8.270 nan 0.000 0.621 264 R N 1.456 121.921 120.500 -0.059 0.000 2.198 264 R HA -0.271 4.069 4.340 -0.000 0.000 0.258 264 R C 1.428 177.705 176.300 -0.038 0.000 1.173 264 R CA 2.230 58.304 56.100 -0.043 0.000 0.991 264 R CB -0.330 29.951 30.300 -0.031 0.000 0.879 264 R HN 0.659 nan 8.270 nan 0.000 0.460 265 E N 0.715 120.890 120.200 -0.042 0.000 2.051 265 E HA -0.149 4.200 4.350 -0.000 0.000 0.192 265 E C 2.161 178.736 176.600 -0.041 0.000 0.991 265 E CA 1.209 57.586 56.400 -0.038 0.000 0.799 265 E CB -0.643 29.031 29.700 -0.042 0.000 0.748 265 E HN 0.272 nan 8.360 nan 0.000 0.449 266 L N -0.306 120.884 121.223 -0.055 0.000 2.017 266 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 266 L C 2.743 179.590 176.870 -0.038 0.000 1.073 266 L CA 1.230 56.038 54.840 -0.053 0.000 0.745 266 L CB -0.447 41.568 42.059 -0.074 0.000 0.894 266 L HN 0.222 nan 8.230 nan 0.000 0.432 267 M N 0.545 120.122 119.600 -0.038 0.000 2.082 267 M HA -0.198 4.282 4.480 -0.000 0.000 0.258 267 M C 2.307 178.593 176.300 -0.023 0.000 1.069 267 M CA 2.106 57.388 55.300 -0.030 0.000 1.102 267 M CB -0.554 32.026 32.600 -0.033 0.000 1.336 267 M HN 0.202 nan 8.290 nan 0.000 0.404 268 A N -0.142 122.665 122.820 -0.022 0.000 1.849 268 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 268 A C 2.227 179.803 177.584 -0.013 0.000 1.202 268 A CA 2.390 54.417 52.037 -0.016 0.000 0.629 268 A CB -0.817 18.174 19.000 -0.015 0.000 0.834 268 A HN 0.497 nan 8.150 nan 0.000 0.447 269 R N -1.713 118.778 120.500 -0.016 0.000 2.113 269 R HA -0.181 4.159 4.340 -0.000 0.000 0.244 269 R C 2.159 178.454 176.300 -0.008 0.000 1.142 269 R CA 2.157 58.251 56.100 -0.011 0.000 0.953 269 R CB -0.632 29.660 30.300 -0.015 0.000 0.860 269 R HN 0.575 nan 8.270 nan 0.000 0.438 270 M N 0.126 119.719 119.600 -0.011 0.000 2.117 270 M HA -0.104 4.375 4.480 -0.000 0.000 0.262 270 M C 1.771 178.065 176.300 -0.009 0.000 1.065 270 M CA 1.718 57.013 55.300 -0.008 0.000 1.114 270 M CB -0.056 32.538 32.600 -0.010 0.000 1.361 270 M HN -0.000 nan 8.290 nan 0.000 0.408 271 R N -0.672 119.820 120.500 -0.012 0.000 2.115 271 R HA -0.099 4.241 4.340 -0.000 0.000 0.230 271 R C 1.937 178.233 176.300 -0.007 0.000 1.111 271 R CA 1.451 57.544 56.100 -0.012 0.000 0.976 271 R CB -0.339 29.953 30.300 -0.013 0.000 0.870 271 R HN 0.518 nan 8.270 nan 0.000 0.445 272 E N 0.624 120.821 120.200 -0.005 0.000 2.338 272 E HA -0.133 4.217 4.350 -0.000 0.000 0.197 272 E C 0.498 177.098 176.600 0.000 0.000 1.007 272 E CA 0.645 57.044 56.400 -0.002 0.000 0.849 272 E CB 0.187 29.886 29.700 -0.001 0.000 0.774 272 E HN 0.316 nan 8.360 nan 0.000 0.506 273 R N 0.198 120.698 120.500 0.001 0.000 2.989 273 R HA 0.287 4.626 4.340 -0.000 0.000 0.340 273 R C -2.812 173.491 176.300 0.004 0.000 1.205 273 R CA -1.693 54.409 56.100 0.004 0.000 1.235 273 R CB 0.073 30.377 30.300 0.007 0.000 1.394 273 R HN -0.152 nan 8.270 nan 0.000 0.598 274 P HA 0.090 nan 4.420 nan 0.000 0.267 274 P C 0.805 178.107 177.300 0.004 0.000 1.205 274 P CA 1.171 64.270 63.100 -0.001 0.000 0.765 274 P CB 1.097 32.794 31.700 -0.004 0.000 0.828 275 G N 2.191 110.995 108.800 0.006 0.000 2.175 275 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.244 275 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.244 275 G C 0.388 175.296 174.900 0.014 0.000 0.982 275 G CA 0.070 45.176 45.100 0.010 0.000 0.641 275 G HN 0.881 nan 8.290 nan 0.000 0.527 276 A N -0.413 122.417 122.820 0.015 0.000 3.045 276 A HA 0.687 5.007 4.320 -0.000 0.000 0.244 276 A C 0.974 178.572 177.584 0.023 0.000 0.917 276 A CA 0.395 52.444 52.037 0.020 0.000 1.075 276 A CB 0.208 19.219 19.000 0.017 0.000 1.202 276 A HN 0.264 nan 8.150 nan 0.000 0.486 277 R N -0.406 120.110 120.500 0.026 0.000 2.312 277 R HA 0.105 4.445 4.340 -0.000 0.000 0.205 277 R C 2.192 178.518 176.300 0.044 0.000 0.904 277 R CA 0.702 56.819 56.100 0.030 0.000 1.052 277 R CB 0.239 30.553 30.300 0.024 0.000 1.014 277 R HN 0.597 nan 8.270 nan 0.000 0.503 278 G N 1.388 110.218 108.800 0.050 0.000 2.672 278 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.218 278 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.218 278 G C 1.542 176.492 174.900 0.083 0.000 1.238 278 G CA 2.015 47.156 45.100 0.068 0.000 0.791 278 G HN 0.433 nan 8.290 nan 0.000 0.606 279 T N -0.315 114.284 114.554 0.074 0.000 2.759 279 T HA 0.102 4.452 4.350 -0.000 0.000 0.269 279 T C 2.555 177.304 174.700 0.081 0.000 1.042 279 T CA 2.166 64.317 62.100 0.085 0.000 1.140 279 T CB -0.513 68.396 68.868 0.068 0.000 0.864 279 T HN 0.538 nan 8.240 nan 0.000 0.455 280 A N 1.942 124.798 122.820 0.059 0.000 1.877 280 A HA 0.137 4.457 4.320 -0.000 0.000 0.216 280 A C 2.477 180.094 177.584 0.055 0.000 1.186 280 A CA 1.491 53.556 52.037 0.045 0.000 0.620 280 A CB -0.969 18.048 19.000 0.028 0.000 0.822 280 A HN 0.544 nan 8.150 nan 0.000 0.443 281 L N -0.598 120.664 121.223 0.064 0.000 2.131 281 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 281 L C 1.945 178.865 176.870 0.084 0.000 1.092 281 L CA 1.300 56.182 54.840 0.071 0.000 0.759 281 L CB -0.527 41.580 42.059 0.080 0.000 0.903 281 L HN 0.367 nan 8.230 nan 0.000 0.435 282 D N -0.360 120.117 120.400 0.129 0.000 2.194 282 D HA -0.164 4.476 4.640 -0.000 0.000 0.204 282 D C 2.035 178.414 176.300 0.133 0.000 0.964 282 D CA 0.843 54.965 54.000 0.203 0.000 0.846 282 D CB 0.291 41.286 40.800 0.324 0.000 0.962 282 D HN 0.256 nan 8.370 nan 0.000 0.490 283 E N 0.967 121.235 120.200 0.113 0.000 2.150 283 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 283 E C 2.215 178.860 176.600 0.075 0.000 0.985 283 E CA 0.592 57.049 56.400 0.095 0.000 0.814 283 E CB -0.289 29.455 29.700 0.075 0.000 0.752 283 E HN 0.237 nan 8.360 nan 0.000 0.466 284 L N -0.147 121.109 121.223 0.054 0.000 2.093 284 L HA -0.101 4.238 4.340 -0.000 0.000 0.208 284 L C 2.433 179.332 176.870 0.049 0.000 1.085 284 L CA 0.744 55.630 54.840 0.077 0.000 0.755 284 L CB -0.374 41.722 42.059 0.062 0.000 0.904 284 L HN 0.214 nan 8.230 nan 0.000 0.435 285 L N -0.418 120.750 121.223 -0.093 0.000 2.083 285 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 285 L C 2.858 179.534 176.870 -0.322 0.000 1.083 285 L CA 1.175 55.842 54.840 -0.288 0.000 0.752 285 L CB -0.450 41.265 42.059 -0.574 0.000 0.899 285 L HN 0.262 nan 8.230 nan 0.000 0.433 286 R N -0.719 119.620 120.500 -0.269 0.000 2.062 286 R HA -0.220 4.120 4.340 -0.000 0.000 0.229 286 R C 2.265 178.540 176.300 -0.042 0.000 1.128 286 R CA 1.729 57.729 56.100 -0.168 0.000 0.960 286 R CB -0.426 29.799 30.300 -0.124 0.000 0.855 286 R HN 0.366 nan 8.270 nan 0.000 0.432 287 W N 1.403 122.644 121.300 -0.099 0.000 2.407 287 W HA 0.090 4.750 4.660 -0.000 0.000 0.305 287 W C 0.236 176.787 176.519 0.053 0.000 1.196 287 W CA 0.588 57.919 57.345 -0.023 0.000 1.311 287 W CB -0.019 29.436 29.460 -0.008 0.000 1.135 287 W HN -0.096 nan 8.180 nan 0.000 0.514 288 I N 2.373 123.143 120.570 0.333 0.000 2.752 288 I HA -0.139 4.030 4.170 -0.000 0.000 0.289 288 I C 0.522 176.667 176.117 0.046 0.000 1.197 288 I CA 0.516 61.958 61.300 0.236 0.000 1.432 288 I CB 0.313 38.477 38.000 0.273 0.000 1.359 288 I HN -0.197 nan 8.210 nan 0.000 0.571 289 S N 5.450 121.135 115.700 -0.025 0.000 2.681 289 S HA 0.048 4.518 4.470 -0.000 0.000 0.313 289 S C 0.878 175.490 174.600 0.019 0.000 1.137 289 S CA -0.406 57.749 58.200 -0.074 0.000 1.045 289 S CB -0.087 62.975 63.200 -0.229 0.000 1.208 289 S HN 0.561 nan 8.310 nan 0.000 0.523 290 H N 3.659 122.709 119.070 -0.033 0.000 2.389 290 H HA 0.101 4.656 4.556 -0.000 0.000 0.299 290 H C 0.819 176.138 175.328 -0.016 0.000 1.081 290 H CA 1.543 57.588 56.048 -0.006 0.000 1.345 290 H CB 0.377 30.123 29.762 -0.026 0.000 1.393 290 H HN 0.424 nan 8.280 nan 0.000 0.520 291 R N -1.166 119.287 120.500 -0.078 0.000 2.782 291 R HA 0.211 4.551 4.340 -0.000 0.000 0.258 291 R C 1.382 177.584 176.300 -0.164 0.000 1.055 291 R CA 0.363 56.380 56.100 -0.139 0.000 1.065 291 R CB 1.092 31.350 30.300 -0.070 0.000 1.172 291 R HN 0.313 nan 8.270 nan 0.000 0.510 292 T N -3.246 111.191 114.554 -0.195 0.000 2.976 292 T HA 0.005 4.355 4.350 -0.000 0.000 0.257 292 T C 1.259 175.777 174.700 -0.303 0.000 1.051 292 T CA 0.958 62.924 62.100 -0.223 0.000 1.141 292 T CB 0.212 68.952 68.868 -0.214 0.000 0.881 292 T HN 0.357 nan 8.240 nan 0.000 0.461 293 S N -0.187 115.272 115.700 -0.401 0.000 4.228 293 S HA 0.678 5.148 4.470 -0.000 0.000 0.207 293 S C -1.042 173.278 174.600 -0.466 0.000 1.152 293 S CA 0.094 57.869 58.200 -0.708 0.000 1.645 293 S CB 0.896 63.406 63.200 -1.151 0.000 1.307 293 S HN 0.841 nan 8.310 nan 0.000 0.761 294 V N -0.296 119.274 119.914 -0.572 0.000 2.876 294 V HA 1.010 5.130 4.120 -0.000 0.000 0.312 294 V C -0.038 175.850 176.094 -0.342 0.000 1.085 294 V CA -0.068 62.031 62.300 -0.336 0.000 0.945 294 V CB 0.937 32.581 31.823 -0.299 0.000 1.017 294 V HN 1.009 nan 8.190 nan 0.000 0.428 295 G N 1.046 109.852 108.800 0.009 0.000 2.725 295 G HA2 0.631 4.591 3.960 -0.000 0.000 0.288 295 G HA3 0.631 4.591 3.960 -0.000 0.000 0.288 295 G C -0.682 174.414 174.900 0.327 0.000 1.399 295 G CA -1.104 44.118 45.100 0.203 0.000 0.859 295 G HN 1.624 nan 8.290 nan 0.000 0.479 296 L N -0.958 120.396 121.223 0.218 0.000 3.721 296 L HA -0.175 4.164 4.340 -0.000 0.000 0.625 296 L C 1.213 177.987 176.870 -0.160 0.000 1.186 296 L CA -0.041 54.789 54.840 -0.017 0.000 0.961 296 L CB -1.748 40.219 42.059 -0.153 0.000 1.418 296 L HN 1.022 nan 8.230 nan 0.000 0.838 297 A N 3.148 125.727 122.820 -0.402 0.000 2.292 297 A HA 0.725 5.044 4.320 -0.000 0.000 0.265 297 A C 0.608 178.002 177.584 -0.318 0.000 1.133 297 A CA 0.145 51.718 52.037 -0.773 0.000 0.807 297 A CB 0.527 18.824 19.000 -1.172 0.000 1.102 297 A HN 0.638 nan 8.150 nan 0.000 0.502 298 R N -0.855 119.506 120.500 -0.231 0.000 2.795 298 R HA 0.520 4.860 4.340 -0.000 0.000 0.275 298 R C -1.422 174.934 176.300 0.094 0.000 0.981 298 R CA -0.825 55.265 56.100 -0.016 0.000 0.917 298 R CB 1.629 31.936 30.300 0.012 0.000 1.202 298 R HN 0.533 nan 8.270 nan 0.000 0.469 299 I N 1.836 122.501 120.570 0.158 0.000 2.377 299 I HA 0.266 4.436 4.170 -0.000 0.000 0.293 299 I C 0.331 176.530 176.117 0.136 0.000 0.987 299 I CA -0.691 60.686 61.300 0.130 0.000 1.185 299 I CB 1.543 39.582 38.000 0.065 0.000 1.341 299 I HN 0.700 nan 8.210 nan 0.000 0.455 300 A N 7.301 130.163 122.820 0.069 0.000 2.457 300 A HA 0.326 4.646 4.320 -0.000 0.000 0.298 300 A C 1.190 178.658 177.584 -0.193 0.000 1.288 300 A CA -0.200 51.682 52.037 -0.258 0.000 0.956 300 A CB -0.118 18.796 19.000 -0.144 0.000 1.135 300 A HN 0.818 nan 8.150 nan 0.000 0.535 301 L N 1.454 122.545 121.223 -0.221 0.000 1.961 301 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 301 L C 0.967 177.767 176.870 -0.116 0.000 1.072 301 L CA 1.482 56.251 54.840 -0.118 0.000 0.749 301 L CB -0.287 41.721 42.059 -0.085 0.000 0.889 301 L HN 0.874 nan 8.230 nan 0.000 0.432 302 E N -0.199 119.906 120.200 -0.158 0.000 2.183 302 E HA 0.202 4.552 4.350 -0.000 0.000 0.250 302 E C -0.823 175.700 176.600 -0.128 0.000 0.901 302 E CA -0.725 55.608 56.400 -0.112 0.000 0.741 302 E CB 0.695 30.346 29.700 -0.082 0.000 1.182 302 E HN 0.031 nan 8.360 nan 0.000 0.425 303 D N 2.148 122.491 120.400 -0.094 0.000 5.835 303 D HA -0.191 4.449 4.640 -0.000 0.000 0.096 303 D C -0.891 175.356 176.300 -0.088 0.000 0.957 303 D CA 0.878 54.836 54.000 -0.070 0.000 0.635 303 D CB 0.308 41.091 40.800 -0.028 0.000 1.290 303 D HN 0.278 nan 8.370 nan 0.000 0.714 304 V N 2.709 122.568 119.914 -0.091 0.000 3.159 304 V HA 0.528 4.648 4.120 -0.000 0.000 0.308 304 V C -0.704 175.369 176.094 -0.036 0.000 1.190 304 V CA -0.994 61.266 62.300 -0.067 0.000 1.037 304 V CB 2.336 34.100 31.823 -0.099 0.000 1.060 304 V HN 0.564 nan 8.190 nan 0.000 0.437 305 E N 1.192 121.382 120.200 -0.016 0.000 2.158 305 E HA 0.679 5.029 4.350 -0.000 0.000 0.271 305 E C -1.097 175.502 176.600 -0.001 0.000 0.911 305 E CA -0.778 55.606 56.400 -0.026 0.000 0.767 305 E CB 1.789 31.479 29.700 -0.015 0.000 1.120 305 E HN 0.290 nan 8.360 nan 0.000 0.405 306 V N 4.178 124.072 119.914 -0.034 0.000 2.384 306 V HA 0.230 4.350 4.120 -0.000 0.000 0.287 306 V C 0.383 176.512 176.094 0.057 0.000 1.020 306 V CA -0.760 61.544 62.300 0.006 0.000 0.850 306 V CB 0.502 32.310 31.823 -0.026 0.000 0.987 306 V HN 1.055 nan 8.190 nan 0.000 0.436 307 H N 4.030 123.077 119.070 -0.038 0.000 2.594 307 H HA -0.262 4.294 4.556 -0.000 0.000 0.316 307 H C 1.397 176.703 175.328 -0.037 0.000 1.107 307 H CA 0.611 56.642 56.048 -0.028 0.000 1.133 307 H CB -0.583 29.165 29.762 -0.023 0.000 1.459 307 H HN 1.350 nan 8.280 nan 0.000 0.411 308 G N -0.193 108.650 108.800 0.073 0.000 2.176 308 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.253 308 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.253 308 G C 0.218 175.090 174.900 -0.047 0.000 0.979 308 G CA 0.423 45.523 45.100 -0.001 0.000 0.641 308 G HN 0.582 nan 8.290 nan 0.000 0.530 309 T N 0.048 114.552 114.554 -0.084 0.000 2.895 309 T HA 0.639 4.988 4.350 -0.000 0.000 0.283 309 T C 0.012 174.604 174.700 -0.181 0.000 1.014 309 T CA -0.509 61.489 62.100 -0.170 0.000 1.037 309 T CB 1.878 70.547 68.868 -0.331 0.000 1.006 309 T HN 0.352 nan 8.240 nan 0.000 0.468 310 R N 2.558 122.965 120.500 -0.154 0.000 2.198 310 R HA 0.452 4.792 4.340 -0.000 0.000 0.339 310 R C -0.964 175.264 176.300 -0.119 0.000 1.020 310 R CA -0.529 55.517 56.100 -0.089 0.000 0.864 310 R CB -0.359 29.939 30.300 -0.003 0.000 1.105 310 R HN 0.589 nan 8.270 nan 0.000 0.463 311 I N 4.493 124.981 120.570 -0.137 0.000 2.347 311 I HA 0.332 4.502 4.170 -0.000 0.000 0.283 311 I C 0.281 176.434 176.117 0.059 0.000 1.058 311 I CA -0.793 60.458 61.300 -0.081 0.000 1.202 311 I CB 1.373 39.270 38.000 -0.173 0.000 1.386 311 I HN 0.714 nan 8.210 nan 0.000 0.475 312 A N 4.965 127.881 122.820 0.160 0.000 2.520 312 A HA 0.513 4.832 4.320 -0.000 0.000 0.235 312 A C 0.800 178.431 177.584 0.078 0.000 1.065 312 A CA -0.100 52.005 52.037 0.113 0.000 0.764 312 A CB 0.286 19.377 19.000 0.152 0.000 1.002 312 A HN 0.798 nan 8.150 nan 0.000 0.502 313 A N 0.768 123.600 122.820 0.020 0.000 2.520 313 A HA 0.483 4.803 4.320 -0.000 0.000 0.235 313 A C 1.728 179.319 177.584 0.013 0.000 1.065 313 A CA 0.867 52.895 52.037 -0.016 0.000 0.764 313 A CB -0.623 18.358 19.000 -0.031 0.000 1.002 313 A HN 2.787 nan 8.150 nan 0.000 0.502 314 G N 0.597 109.396 108.800 -0.001 0.000 2.253 314 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.251 314 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.251 314 G C 0.109 175.013 174.900 0.007 0.000 0.998 314 G CA 0.541 45.642 45.100 0.002 0.000 0.621 314 G HN 0.897 nan 8.290 nan 0.000 0.524 315 E N 2.472 122.708 120.200 0.061 0.000 2.313 315 E HA 0.383 4.733 4.350 -0.000 0.000 0.276 315 E C -2.209 174.469 176.600 0.130 0.000 1.031 315 E CA -1.591 54.856 56.400 0.079 0.000 0.857 315 E CB 1.516 31.383 29.700 0.279 0.000 1.040 315 E HN 0.277 nan 8.360 nan 0.000 0.408 316 P HA 0.081 nan 4.420 nan 0.000 0.279 316 P C -0.899 176.505 177.300 0.172 0.000 1.239 316 P CA -0.222 62.896 63.100 0.029 0.000 0.789 316 P CB 1.255 32.889 31.700 -0.109 0.000 0.933 317 V N 4.637 124.612 119.914 0.102 0.000 2.623 317 V HA 0.400 4.520 4.120 -0.000 0.000 0.304 317 V C -1.450 174.607 176.094 -0.062 0.000 1.054 317 V CA -0.764 61.636 62.300 0.167 0.000 0.882 317 V CB 1.208 33.158 31.823 0.213 0.000 1.002 317 V HN 0.380 nan 8.190 nan 0.000 0.424 318 Y N 4.676 125.033 120.300 0.094 0.000 2.387 318 Y HA 0.713 5.263 4.550 -0.000 0.000 0.330 318 Y C 0.361 176.235 175.900 -0.044 0.000 1.133 318 Y CA -0.293 57.812 58.100 0.009 0.000 1.152 318 Y CB 2.166 40.654 38.460 0.047 0.000 1.215 318 Y HN 0.648 nan 8.280 nan 0.000 0.466 319 V N -0.412 119.512 119.914 0.017 0.000 2.769 319 V HA 0.689 4.809 4.120 -0.000 0.000 0.312 319 V C -0.561 175.396 176.094 -0.229 0.000 1.061 319 V CA -0.828 61.374 62.300 -0.164 0.000 0.931 319 V CB 1.730 33.331 31.823 -0.370 0.000 1.010 319 V HN 0.666 nan 8.190 nan 0.000 0.433 320 S N 2.287 117.887 115.700 -0.165 0.000 2.601 320 S HA 0.512 4.982 4.470 -0.000 0.000 0.312 320 S C 0.167 174.731 174.600 -0.061 0.000 1.107 320 S CA -0.550 57.600 58.200 -0.083 0.000 1.129 320 S CB 0.283 63.533 63.200 0.083 0.000 0.982 320 S HN 0.725 nan 8.310 nan 0.000 0.469 321 Y N 3.796 124.142 120.300 0.078 0.000 2.293 321 Y HA -0.058 4.492 4.550 -0.000 0.000 0.291 321 Y C 1.959 177.918 175.900 0.099 0.000 1.137 321 Y CA 0.793 58.938 58.100 0.075 0.000 1.202 321 Y CB -0.068 38.423 38.460 0.052 0.000 0.990 321 Y HN 0.572 nan 8.280 nan 0.000 0.537 322 L N -0.559 120.796 121.223 0.221 0.000 1.994 322 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 322 L C 2.759 179.805 176.870 0.293 0.000 1.071 322 L CA 1.242 56.195 54.840 0.188 0.000 0.745 322 L CB -1.072 41.021 42.059 0.057 0.000 0.892 322 L HN 0.240 nan 8.230 nan 0.000 0.431 323 A N 0.230 123.223 122.820 0.289 0.000 1.902 323 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 323 A C 2.567 180.291 177.584 0.234 0.000 1.181 323 A CA 1.745 53.969 52.037 0.313 0.000 0.623 323 A CB -0.692 18.444 19.000 0.227 0.000 0.818 323 A HN 0.408 nan 8.150 nan 0.000 0.443 324 A N 0.329 123.294 122.820 0.242 0.000 1.908 324 A HA -0.215 4.104 4.320 -0.000 0.000 0.218 324 A C 1.808 179.673 177.584 0.470 0.000 1.181 324 A CA 1.806 54.044 52.037 0.334 0.000 0.627 324 A CB -0.688 18.475 19.000 0.273 0.000 0.818 324 A HN 0.523 nan 8.150 nan 0.000 0.445 325 N N -0.343 118.542 118.700 0.310 0.000 2.519 325 N HA -0.073 4.667 4.740 -0.000 0.000 0.186 325 N C 0.740 176.143 175.510 -0.178 0.000 1.062 325 N CA 0.615 53.697 53.050 0.053 0.000 0.910 325 N CB -0.115 38.355 38.487 -0.028 0.000 0.958 325 N HN 0.317 nan 8.380 nan 0.000 0.445 326 R N 0.587 121.112 120.500 0.042 0.000 2.633 326 R HA 0.115 4.454 4.340 -0.000 0.000 0.348 326 R C -0.401 175.985 176.300 0.144 0.000 1.100 326 R CA -0.264 55.821 56.100 -0.025 0.000 1.068 326 R CB -0.231 29.915 30.300 -0.257 0.000 1.351 326 R HN 0.104 nan 8.270 nan 0.000 0.575 327 D N 2.187 122.806 120.400 0.366 0.000 2.349 327 D HA 0.045 4.685 4.640 -0.000 0.000 0.266 327 D C -1.568 174.848 176.300 0.194 0.000 1.293 327 D CA -1.789 52.379 54.000 0.279 0.000 0.926 327 D CB 1.638 42.628 40.800 0.316 0.000 1.090 327 D HN -0.057 nan 8.370 nan 0.000 0.502 328 P HA -0.154 nan 4.420 nan 0.000 0.216 328 P C 0.358 177.669 177.300 0.019 0.000 1.157 328 P CA 1.214 64.351 63.100 0.062 0.000 0.880 328 P CB 0.241 31.963 31.700 0.036 0.000 0.791 329 D N -2.168 118.231 120.400 -0.001 0.000 2.371 329 D HA -0.022 4.618 4.640 -0.000 0.000 0.234 329 D C 1.218 177.420 176.300 -0.163 0.000 1.049 329 D CA 0.518 54.486 54.000 -0.053 0.000 0.907 329 D CB -0.077 40.708 40.800 -0.024 0.000 0.891 329 D HN 0.067 nan 8.370 nan 0.000 0.531 330 V N -1.090 118.669 119.914 -0.260 0.000 3.431 330 V HA 0.210 4.330 4.120 -0.000 0.000 0.255 330 V C -0.381 175.196 176.094 -0.861 0.000 1.403 330 V CA 0.036 61.936 62.300 -0.667 0.000 1.101 330 V CB 0.624 31.803 31.823 -1.073 0.000 0.891 330 V HN -0.013 nan 8.190 nan 0.000 0.446 331 F N 1.414 121.321 119.950 -0.071 0.000 2.676 331 F HA 0.533 5.060 4.527 -0.000 0.000 0.371 331 F C -2.760 173.035 175.800 -0.008 0.000 1.141 331 F CA -2.335 55.650 58.000 -0.025 0.000 1.133 331 F CB 0.986 39.991 39.000 0.010 0.000 1.376 331 F HN -0.056 nan 8.300 nan 0.000 0.491 332 P HA -0.036 nan 4.420 nan 0.000 0.266 332 P C 0.016 177.372 177.300 0.094 0.000 1.195 332 P CA 0.543 63.685 63.100 0.070 0.000 0.768 332 P CB 0.467 32.189 31.700 0.036 0.000 0.838 333 D N 3.043 123.484 120.400 0.069 0.000 2.735 333 D HA -0.146 4.494 4.640 -0.000 0.000 0.235 333 D C -1.074 175.284 176.300 0.096 0.000 1.175 333 D CA 0.304 54.344 54.000 0.066 0.000 0.683 333 D CB -0.364 40.470 40.800 0.056 0.000 1.008 333 D HN 0.303 nan 8.370 nan 0.000 0.416 334 P HA -0.142 nan 4.420 nan 0.000 0.221 334 P C 0.828 178.177 177.300 0.081 0.000 1.145 334 P CA 0.954 64.115 63.100 0.102 0.000 0.795 334 P CB 0.322 32.069 31.700 0.078 0.000 0.775 335 D N -0.989 119.460 120.400 0.081 0.000 2.333 335 D HA 0.004 4.644 4.640 -0.000 0.000 0.208 335 D C 1.238 177.732 176.300 0.324 0.000 0.984 335 D CA 0.376 54.477 54.000 0.167 0.000 0.873 335 D CB -0.338 40.504 40.800 0.070 0.000 0.935 335 D HN 0.183 nan 8.370 nan 0.000 0.521 336 R N 0.985 121.591 120.500 0.177 0.000 2.438 336 R HA 0.292 4.632 4.340 -0.000 0.000 0.287 336 R C -0.224 176.111 176.300 0.058 0.000 1.077 336 R CA -0.280 55.877 56.100 0.094 0.000 1.034 336 R CB 0.490 30.824 30.300 0.057 0.000 0.993 336 R HN -0.078 nan 8.270 nan 0.000 0.459 337 I N 4.283 124.791 120.570 -0.104 0.000 2.312 337 I HA -0.010 4.160 4.170 -0.000 0.000 0.291 337 I C 0.707 176.783 176.117 -0.068 0.000 1.031 337 I CA -0.024 61.172 61.300 -0.172 0.000 1.293 337 I CB 1.407 39.164 38.000 -0.406 0.000 1.403 337 I HN 0.782 nan 8.210 nan 0.000 0.484 338 D N 5.392 125.788 120.400 -0.006 0.000 2.269 338 D HA 0.020 4.660 4.640 -0.000 0.000 0.220 338 D C 1.889 178.195 176.300 0.009 0.000 0.962 338 D CA 1.018 55.026 54.000 0.014 0.000 0.884 338 D CB 0.506 41.337 40.800 0.051 0.000 1.023 338 D HN 0.629 nan 8.370 nan 0.000 0.484 339 L N -0.381 120.854 121.223 0.020 0.000 3.570 339 L HA -0.286 4.053 4.340 -0.000 0.000 0.382 339 L C 0.702 177.593 176.870 0.036 0.000 0.698 339 L CA 1.828 56.681 54.840 0.022 0.000 2.990 339 L CB -1.132 40.928 42.059 0.000 0.000 0.731 339 L HN 0.143 nan 8.230 nan 0.000 0.725 340 D N 0.275 120.696 120.400 0.035 0.000 2.379 340 D HA 0.054 4.694 4.640 -0.000 0.000 0.208 340 D C 0.995 177.326 176.300 0.052 0.000 1.065 340 D CA -0.151 53.872 54.000 0.038 0.000 0.848 340 D CB 0.151 40.967 40.800 0.027 0.000 0.949 340 D HN 0.267 nan 8.370 nan 0.000 0.509 341 R N 2.602 123.142 120.500 0.067 0.000 2.730 341 R HA -0.111 4.229 4.340 -0.000 0.000 0.327 341 R C 0.646 177.001 176.300 0.092 0.000 0.825 341 R CA 0.126 56.280 56.100 0.090 0.000 1.130 341 R CB 0.212 30.587 30.300 0.125 0.000 0.883 341 R HN 0.109 nan 8.270 nan 0.000 0.407 342 D N 5.604 126.047 120.400 0.071 0.000 1.756 342 D HA -0.241 4.399 4.640 -0.000 0.000 0.459 342 D C -1.115 175.222 176.300 0.062 0.000 1.381 342 D CA 0.868 54.901 54.000 0.054 0.000 1.329 342 D CB -1.105 39.716 40.800 0.035 0.000 2.280 342 D HN 0.340 nan 8.370 nan 0.000 0.650 343 P HA -0.076 nan 4.420 nan 0.000 0.215 343 P C -0.306 177.044 177.300 0.082 0.000 1.153 343 P CA 1.813 64.939 63.100 0.043 0.000 0.853 343 P CB -0.302 31.403 31.700 0.009 0.000 0.788 344 N N -1.384 117.398 118.700 0.138 0.000 2.568 344 N HA -0.094 4.646 4.740 -0.000 0.000 0.277 344 N C -2.310 173.330 175.510 0.216 0.000 1.200 344 N CA 0.168 53.384 53.050 0.276 0.000 0.702 344 N CB -0.954 37.688 38.487 0.259 0.000 0.889 344 N HN 0.138 nan 8.380 nan 0.000 0.546 345 P HA 0.147 nan 4.420 nan 0.000 0.214 345 P C -0.525 177.011 177.300 0.395 0.000 1.849 345 P CA -0.221 62.975 63.100 0.161 0.000 1.022 345 P CB -0.714 31.036 31.700 0.083 0.000 1.912 346 H N -0.149 119.166 119.070 0.408 0.000 2.607 346 H HA 0.243 4.799 4.556 -0.000 0.000 0.367 346 H C 0.447 175.940 175.328 0.275 0.000 1.181 346 H CA -0.789 55.454 56.048 0.324 0.000 1.402 346 H CB 0.616 30.431 29.762 0.089 0.000 1.474 346 H HN 0.063 nan 8.280 nan 0.000 0.596 347 L N 1.720 123.193 121.223 0.417 0.000 2.984 347 L HA 0.336 4.676 4.340 -0.000 0.000 0.246 347 L C 1.741 178.610 176.870 -0.002 0.000 1.268 347 L CA 0.091 55.042 54.840 0.185 0.000 1.054 347 L CB -0.163 41.977 42.059 0.136 0.000 1.393 347 L HN 0.915 nan 8.230 nan 0.000 0.532 348 A N -0.316 122.554 122.820 0.084 0.000 1.978 348 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 348 A C 1.556 178.872 177.584 -0.445 0.000 1.170 348 A CA 1.565 53.444 52.037 -0.264 0.000 0.636 348 A CB -0.495 18.168 19.000 -0.563 0.000 0.810 348 A HN 0.546 nan 8.150 nan 0.000 0.448 349 Y N -0.464 119.741 120.300 -0.159 0.000 2.493 349 Y HA 0.399 4.949 4.550 -0.000 0.000 0.275 349 Y C 1.536 177.095 175.900 -0.568 0.000 1.183 349 Y CA 0.081 57.927 58.100 -0.424 0.000 1.258 349 Y CB -0.105 38.004 38.460 -0.585 0.000 1.108 349 Y HN 0.567 nan 8.280 nan 0.000 0.521 350 G N 1.469 109.977 108.800 -0.487 0.000 2.725 350 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 350 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 350 G C -0.913 173.884 174.900 -0.171 0.000 1.357 350 G CA -0.359 44.293 45.100 -0.746 0.000 0.866 350 G HN 0.416 nan 8.290 nan 0.000 0.548 351 N N 0.029 118.707 118.700 -0.036 0.000 2.503 351 N HA 0.588 5.328 4.740 -0.000 0.000 0.287 351 N C 0.177 175.733 175.510 0.076 0.000 1.096 351 N CA 0.619 53.734 53.050 0.109 0.000 0.936 351 N CB 1.298 39.821 38.487 0.059 0.000 1.570 351 N HN 2.392 nan 8.380 nan 0.000 0.504 352 G N 2.293 111.121 108.800 0.047 0.000 2.295 352 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.195 352 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.195 352 G C 0.105 174.969 174.900 -0.060 0.000 1.269 352 G CA 0.117 45.182 45.100 -0.058 0.000 1.170 352 G HN 0.811 nan 8.290 nan 0.000 0.511 353 H N -1.210 117.798 119.070 -0.105 0.000 2.482 353 H HA 0.295 4.851 4.556 -0.000 0.000 0.286 353 H C 1.693 176.911 175.328 -0.183 0.000 1.017 353 H CA 1.278 57.160 56.048 -0.276 0.000 1.322 353 H CB -0.069 29.317 29.762 -0.626 0.000 1.426 353 H HN 0.453 nan 8.280 nan 0.000 0.546 354 H N 0.167 119.136 119.070 -0.169 0.000 2.566 354 H HA 0.035 4.591 4.556 -0.000 0.000 0.280 354 H C -0.229 175.153 175.328 0.090 0.000 1.042 354 H CA -0.293 55.807 56.048 0.087 0.000 1.168 354 H CB -0.711 29.034 29.762 -0.029 0.000 1.340 354 H HN 0.277 nan 8.280 nan 0.000 0.597 355 F N 1.170 121.141 119.950 0.035 0.000 2.563 355 F HA -0.010 4.517 4.527 -0.000 0.000 0.363 355 F C 0.751 176.561 175.800 0.016 0.000 1.123 355 F CA -0.664 57.341 58.000 0.007 0.000 1.307 355 F CB 0.494 39.484 39.000 -0.016 0.000 1.115 355 F HN 0.084 nan 8.300 nan 0.000 0.592 356 C N 6.793 125.677 119.300 -0.694 0.000 2.419 356 C HA -0.023 4.436 4.460 -0.000 0.000 0.398 356 C C 1.766 176.574 174.990 -0.303 0.000 1.498 356 C CA 0.598 59.337 59.018 -0.464 0.000 1.494 356 C CB -1.251 26.199 27.740 -0.485 0.000 2.485 356 C HN 1.022 nan 8.230 nan 0.000 0.608 357 T N 4.190 118.612 114.554 -0.221 0.000 2.929 357 T HA -0.033 4.317 4.350 -0.000 0.000 0.271 357 T C 1.594 176.081 174.700 -0.354 0.000 1.085 357 T CA 1.618 63.544 62.100 -0.290 0.000 1.125 357 T CB -0.055 68.529 68.868 -0.474 0.000 0.874 357 T HN 0.967 nan 8.240 nan 0.000 0.494 358 G N -0.082 108.548 108.800 -0.283 0.000 3.393 358 G HA2 0.471 4.431 3.960 -0.000 0.000 0.255 358 G HA3 0.471 4.431 3.960 -0.000 0.000 0.255 358 G C 1.468 176.265 174.900 -0.171 0.000 1.097 358 G CA 0.478 45.501 45.100 -0.128 0.000 0.780 358 G HN 0.449 nan 8.290 nan 0.000 0.540 359 A N 0.578 123.168 122.820 -0.385 0.000 1.881 359 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 359 A C 2.522 179.817 177.584 -0.481 0.000 1.215 359 A CA 2.334 53.852 52.037 -0.864 0.000 0.648 359 A CB -0.766 17.741 19.000 -0.820 0.000 0.832 359 A HN 0.328 nan 8.150 nan 0.000 0.455 360 V N -0.512 119.300 119.914 -0.170 0.000 2.358 360 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 360 V C 2.478 178.572 176.094 -0.000 0.000 1.047 360 V CA 1.837 64.110 62.300 -0.045 0.000 1.035 360 V CB -0.840 30.997 31.823 0.023 0.000 0.658 360 V HN 0.600 nan 8.190 nan 0.000 0.452 361 L N 1.257 122.503 121.223 0.038 0.000 2.017 361 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 361 L C 2.440 179.335 176.870 0.043 0.000 1.073 361 L CA 2.495 57.372 54.840 0.062 0.000 0.745 361 L CB -1.047 41.104 42.059 0.153 0.000 0.894 361 L HN 0.213 nan 8.230 nan 0.000 0.432 362 A N -0.520 122.319 122.820 0.031 0.000 1.972 362 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 362 A C 2.412 180.058 177.584 0.104 0.000 1.169 362 A CA 1.677 53.755 52.037 0.069 0.000 0.635 362 A CB -0.598 18.463 19.000 0.102 0.000 0.810 362 A HN 0.506 nan 8.150 nan 0.000 0.446 363 R N -0.432 120.115 120.500 0.078 0.000 2.075 363 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 363 R C 2.069 178.429 176.300 0.100 0.000 1.126 363 R CA 1.922 58.090 56.100 0.114 0.000 0.963 363 R CB -0.594 29.761 30.300 0.092 0.000 0.858 363 R HN 0.463 nan 8.270 nan 0.000 0.435 364 M N 0.438 120.086 119.600 0.080 0.000 2.175 364 M HA -0.159 4.321 4.480 -0.000 0.000 0.264 364 M C 1.528 177.903 176.300 0.125 0.000 1.063 364 M CA 1.829 57.179 55.300 0.084 0.000 1.119 364 M CB -0.315 32.323 32.600 0.063 0.000 1.377 364 M HN 0.323 nan 8.290 nan 0.000 0.415 365 Q N -0.756 119.134 119.800 0.149 0.000 2.046 365 Q HA -0.123 4.216 4.340 -0.000 0.000 0.200 365 Q C 1.862 178.010 176.000 0.246 0.000 0.975 365 Q CA 2.138 58.108 55.803 0.278 0.000 0.836 365 Q CB -0.358 28.507 28.738 0.211 0.000 0.896 365 Q HN 0.517 nan 8.270 nan 0.000 0.428 366 T N 1.498 116.150 114.554 0.164 0.000 2.665 366 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 366 T C 1.554 176.303 174.700 0.081 0.000 1.035 366 T CA 1.643 63.815 62.100 0.120 0.000 1.151 366 T CB -0.249 68.688 68.868 0.114 0.000 0.862 366 T HN 0.353 nan 8.240 nan 0.000 0.438 367 E N 0.760 121.007 120.200 0.080 0.000 2.058 367 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 367 E C 2.310 178.922 176.600 0.019 0.000 0.997 367 E CA 0.989 57.419 56.400 0.050 0.000 0.801 367 E CB -0.362 29.371 29.700 0.055 0.000 0.746 367 E HN 0.410 nan 8.360 nan 0.000 0.450 368 L N 0.697 121.936 121.223 0.027 0.000 2.017 368 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 368 L C 2.555 179.348 176.870 -0.129 0.000 1.073 368 L CA 0.948 55.764 54.840 -0.039 0.000 0.745 368 L CB -0.501 41.551 42.059 -0.011 0.000 0.894 368 L HN 0.184 nan 8.230 nan 0.000 0.432 369 L N -0.835 120.308 121.223 -0.134 0.000 1.971 369 L HA -0.254 4.086 4.340 -0.000 0.000 0.215 369 L C 2.553 179.357 176.870 -0.110 0.000 1.072 369 L CA 1.357 56.091 54.840 -0.176 0.000 0.758 369 L CB -0.717 41.297 42.059 -0.075 0.000 0.889 369 L HN 0.055 nan 8.230 nan 0.000 0.433 370 V N -0.273 119.612 119.914 -0.049 0.000 2.287 370 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 370 V C 2.158 178.219 176.094 -0.054 0.000 1.053 370 V CA 1.991 64.268 62.300 -0.039 0.000 1.027 370 V CB -0.612 31.207 31.823 -0.006 0.000 0.646 370 V HN 0.450 nan 8.190 nan 0.000 0.447 371 D N -0.069 120.301 120.400 -0.050 0.000 2.097 371 D HA -0.129 4.510 4.640 -0.000 0.000 0.195 371 D C 2.309 178.561 176.300 -0.079 0.000 0.989 371 D CA 1.927 55.896 54.000 -0.052 0.000 0.827 371 D CB -0.484 40.295 40.800 -0.036 0.000 0.966 371 D HN 0.392 nan 8.370 nan 0.000 0.456 372 T N 1.060 115.548 114.554 -0.110 0.000 2.821 372 T HA -0.015 4.334 4.350 -0.000 0.000 0.267 372 T C 2.189 176.795 174.700 -0.156 0.000 1.046 372 T CA 0.432 62.449 62.100 -0.137 0.000 1.139 372 T CB -0.144 68.614 68.868 -0.184 0.000 0.871 372 T HN 0.106 nan 8.240 nan 0.000 0.454 373 L N 0.283 121.411 121.223 -0.160 0.000 2.093 373 L HA 0.031 4.371 4.340 -0.000 0.000 0.208 373 L C 2.369 179.150 176.870 -0.149 0.000 1.085 373 L CA 1.026 55.762 54.840 -0.173 0.000 0.755 373 L CB -0.470 41.498 42.059 -0.151 0.000 0.904 373 L HN 0.259 nan 8.230 nan 0.000 0.435 374 L N -0.432 120.727 121.223 -0.107 0.000 2.156 374 L HA -0.159 4.180 4.340 -0.000 0.000 0.208 374 L C 2.623 179.442 176.870 -0.086 0.000 1.095 374 L CA 1.007 55.795 54.840 -0.086 0.000 0.770 374 L CB -0.365 41.660 42.059 -0.058 0.000 0.914 374 L HN 0.350 nan 8.230 nan 0.000 0.439 375 E N 0.527 120.675 120.200 -0.088 0.000 2.072 375 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 375 E C 2.026 178.569 176.600 -0.096 0.000 0.982 375 E CA 0.773 57.127 56.400 -0.076 0.000 0.803 375 E CB 0.195 29.855 29.700 -0.067 0.000 0.755 375 E HN 0.358 nan 8.360 nan 0.000 0.453 376 R N -0.091 120.326 120.500 -0.138 0.000 2.312 376 R HA 0.230 4.569 4.340 -0.000 0.000 0.205 376 R C 0.345 176.488 176.300 -0.261 0.000 0.904 376 R CA 0.128 56.123 56.100 -0.173 0.000 1.052 376 R CB 0.538 30.727 30.300 -0.186 0.000 1.014 376 R HN 0.213 nan 8.270 nan 0.000 0.503 377 L N 3.437 124.492 121.223 -0.280 0.000 2.495 377 L HA 0.344 4.684 4.340 -0.000 0.000 0.248 377 L C -2.330 174.432 176.870 -0.180 0.000 1.229 377 L CA -1.810 52.801 54.840 -0.382 0.000 0.942 377 L CB 1.509 43.255 42.059 -0.522 0.000 1.242 377 L HN -0.239 nan 8.230 nan 0.000 0.484 378 P HA 0.111 nan 4.420 nan 0.000 0.271 378 P C 0.831 177.929 177.300 -0.338 0.000 1.218 378 P CA 0.563 63.590 63.100 -0.122 0.000 0.780 378 P CB 1.475 33.169 31.700 -0.010 0.000 0.901 379 G N 1.121 109.669 108.800 -0.420 0.000 2.153 379 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.252 379 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.252 379 G C -0.060 174.702 174.900 -0.228 0.000 0.994 379 G CA -0.008 44.707 45.100 -0.642 0.000 0.698 379 G HN 0.621 nan 8.290 nan 0.000 0.521 380 L N 1.148 122.312 121.223 -0.098 0.000 2.540 380 L HA 0.590 4.930 4.340 -0.000 0.000 0.276 380 L C 0.849 177.725 176.870 0.009 0.000 1.212 380 L CA 0.940 55.786 54.840 0.010 0.000 0.893 380 L CB 0.146 42.190 42.059 -0.025 0.000 1.138 380 L HN 0.693 nan 8.230 nan 0.000 0.491 381 R N 3.709 124.239 120.500 0.050 0.000 2.828 381 R HA 0.310 4.650 4.340 -0.000 0.000 0.280 381 R C -1.658 174.668 176.300 0.042 0.000 1.020 381 R CA -1.258 54.858 56.100 0.027 0.000 0.855 381 R CB 0.142 30.447 30.300 0.008 0.000 1.278 381 R HN 0.325 nan 8.270 nan 0.000 0.495 382 L N 1.710 122.944 121.223 0.020 0.000 2.615 382 L HA -0.023 4.317 4.340 -0.000 0.000 0.284 382 L C 1.483 178.371 176.870 0.030 0.000 1.237 382 L CA 1.274 56.131 54.840 0.028 0.000 0.905 382 L CB 0.666 42.730 42.059 0.009 0.000 1.149 382 L HN 1.064 nan 8.230 nan 0.000 0.499 383 A N 4.758 127.600 122.820 0.037 0.000 2.169 383 A HA 0.229 4.549 4.320 -0.000 0.000 0.212 383 A C 0.550 178.144 177.584 0.017 0.000 1.153 383 A CA 0.805 52.852 52.037 0.017 0.000 0.756 383 A CB 0.110 19.117 19.000 0.012 0.000 0.813 383 A HN 0.592 nan 8.150 nan 0.000 0.471 384 V N -5.452 114.479 119.914 0.029 0.000 3.159 384 V HA 0.654 4.774 4.120 -0.000 0.000 0.308 384 V C -3.380 172.739 176.094 0.043 0.000 1.190 384 V CA -2.848 59.472 62.300 0.034 0.000 1.037 384 V CB 1.225 33.073 31.823 0.041 0.000 1.060 384 V HN -0.020 nan 8.190 nan 0.000 0.437 385 P HA 0.306 nan 4.420 nan 0.000 0.267 385 P C 0.830 178.182 177.300 0.086 0.000 1.200 385 P CA 0.659 63.791 63.100 0.053 0.000 0.772 385 P CB 0.906 32.637 31.700 0.051 0.000 0.855 386 A N 2.885 125.760 122.820 0.092 0.000 1.917 386 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 386 A C 2.026 179.763 177.584 0.256 0.000 1.182 386 A CA 1.968 54.112 52.037 0.180 0.000 0.633 386 A CB -1.312 17.768 19.000 0.133 0.000 0.819 386 A HN 0.716 nan 8.150 nan 0.000 0.448 387 E N -0.421 119.885 120.200 0.178 0.000 2.333 387 E HA -0.260 4.090 4.350 -0.000 0.000 0.200 387 E C 1.783 178.472 176.600 0.149 0.000 1.010 387 E CA 1.297 57.792 56.400 0.158 0.000 0.841 387 E CB -0.148 29.614 29.700 0.103 0.000 0.757 387 E HN 0.796 nan 8.360 nan 0.000 0.508 388 Q N -0.187 119.696 119.800 0.138 0.000 2.408 388 Q HA 0.091 4.431 4.340 -0.000 0.000 0.205 388 Q C -0.160 175.913 176.000 0.122 0.000 0.919 388 Q CA -0.099 55.770 55.803 0.110 0.000 0.932 388 Q CB 1.063 29.849 28.738 0.080 0.000 1.058 388 Q HN 0.078 nan 8.270 nan 0.000 0.517 389 V N 1.846 121.866 119.914 0.177 0.000 2.455 389 V HA 0.244 4.364 4.120 -0.000 0.000 0.273 389 V C 0.186 176.379 176.094 0.164 0.000 1.045 389 V CA -0.411 61.974 62.300 0.142 0.000 0.976 389 V CB 0.743 32.687 31.823 0.203 0.000 0.993 389 V HN 0.170 nan 8.190 nan 0.000 0.475 390 A N 5.570 128.430 122.820 0.067 0.000 2.286 390 A HA 0.696 5.016 4.320 -0.000 0.000 0.286 390 A C -1.003 176.587 177.584 0.009 0.000 1.097 390 A CA -0.390 51.719 52.037 0.120 0.000 0.821 390 A CB 0.484 19.521 19.000 0.062 0.000 1.076 390 A HN 0.789 nan 8.150 nan 0.000 0.490 391 W N 0.211 121.481 121.300 -0.051 0.000 2.706 391 W HA 0.583 5.243 4.660 -0.000 0.000 0.346 391 W C 0.261 176.732 176.519 -0.081 0.000 1.071 391 W CA -0.578 56.717 57.345 -0.084 0.000 1.206 391 W CB 1.041 30.433 29.460 -0.114 0.000 1.413 391 W HN 0.667 nan 8.180 nan 0.000 0.542 392 R N 2.323 122.864 120.500 0.067 0.000 2.623 392 R HA 0.374 4.714 4.340 -0.000 0.000 0.271 392 R C 0.030 176.339 176.300 0.014 0.000 1.043 392 R CA -0.116 55.976 56.100 -0.014 0.000 1.083 392 R CB 0.425 30.647 30.300 -0.130 0.000 0.974 392 R HN 0.354 nan 8.270 nan 0.000 0.436 393 R N 1.471 121.965 120.500 -0.009 0.000 2.807 393 R HA 0.244 4.584 4.340 -0.000 0.000 0.276 393 R C -0.234 176.045 176.300 -0.035 0.000 0.979 393 R CA -1.056 55.034 56.100 -0.016 0.000 0.928 393 R CB 1.821 32.120 30.300 -0.001 0.000 1.191 393 R HN 0.582 nan 8.270 nan 0.000 0.471 394 K N -0.441 119.932 120.400 -0.044 0.000 3.160 394 K HA -0.205 4.115 4.320 -0.000 0.000 0.280 394 K C -0.252 176.315 176.600 -0.054 0.000 1.154 394 K CA 1.336 57.597 56.287 -0.044 0.000 0.822 394 K CB -1.097 31.388 32.500 -0.026 0.000 1.239 394 K HN 0.671 nan 8.250 nan 0.000 0.489 395 T N -0.939 113.570 114.554 -0.075 0.000 2.908 395 T HA 0.528 4.878 4.350 -0.000 0.000 0.290 395 T C 0.926 175.560 174.700 -0.110 0.000 1.034 395 T CA -0.712 61.335 62.100 -0.087 0.000 1.010 395 T CB 1.757 70.555 68.868 -0.118 0.000 1.068 395 T HN 0.266 nan 8.240 nan 0.000 0.481 396 M N 3.373 122.917 119.600 -0.093 0.000 2.077 396 M HA 0.256 4.736 4.480 -0.000 0.000 0.261 396 M C 0.081 176.293 176.300 -0.148 0.000 1.070 396 M CA 1.628 56.868 55.300 -0.101 0.000 1.125 396 M CB 0.052 32.625 32.600 -0.045 0.000 1.339 396 M HN 0.572 nan 8.290 nan 0.000 0.409 397 I N 1.784 122.249 120.570 -0.174 0.000 2.315 397 I HA 0.194 4.364 4.170 -0.000 0.000 0.291 397 I C 0.140 176.061 176.117 -0.325 0.000 1.006 397 I CA -0.534 60.593 61.300 -0.288 0.000 1.265 397 I CB 1.022 38.876 38.000 -0.244 0.000 1.387 397 I HN 0.215 nan 8.210 nan 0.000 0.475 398 R N 3.943 124.290 120.500 -0.255 0.000 2.582 398 R HA 0.667 5.007 4.340 -0.000 0.000 0.271 398 R C 0.135 176.400 176.300 -0.059 0.000 1.078 398 R CA -0.200 55.835 56.100 -0.108 0.000 1.127 398 R CB 1.215 31.505 30.300 -0.017 0.000 1.038 398 R HN 0.920 nan 8.270 nan 0.000 0.500 399 G N 1.812 110.655 108.800 0.072 0.000 2.325 399 G HA2 0.136 4.095 3.960 -0.000 0.000 0.297 399 G HA3 0.136 4.095 3.960 -0.000 0.000 0.297 399 G C -3.116 171.463 174.900 -0.534 0.000 1.448 399 G CA -0.917 44.122 45.100 -0.103 0.000 0.838 399 G HN 0.339 nan 8.290 nan 0.000 0.579 400 P HA 0.293 nan 4.420 nan 0.000 0.284 400 P C 0.264 177.267 177.300 -0.496 0.000 1.253 400 P CA -0.407 61.952 63.100 -1.235 0.000 0.800 400 P CB 1.980 33.017 31.700 -1.104 0.000 0.961 401 R N 0.766 121.048 120.500 -0.364 0.000 2.153 401 R HA 0.068 4.408 4.340 -0.000 0.000 0.218 401 R C 1.164 177.404 176.300 -0.101 0.000 1.072 401 R CA 1.182 57.188 56.100 -0.155 0.000 0.990 401 R CB -0.260 29.985 30.300 -0.092 0.000 0.889 401 R HN 0.655 nan 8.270 nan 0.000 0.452 402 T N -3.215 111.264 114.554 -0.124 0.000 2.787 402 T HA 0.559 4.909 4.350 -0.000 0.000 0.297 402 T C -0.861 173.803 174.700 -0.060 0.000 1.221 402 T CA -0.869 61.197 62.100 -0.057 0.000 1.006 402 T CB 1.838 70.696 68.868 -0.018 0.000 1.328 402 T HN -0.027 nan 8.240 nan 0.000 0.509 403 L N 1.003 122.224 121.223 -0.003 0.000 2.422 403 L HA 0.344 4.684 4.340 -0.000 0.000 0.263 403 L C -2.934 173.971 176.870 0.058 0.000 1.372 403 L CA -1.566 53.293 54.840 0.032 0.000 0.857 403 L CB 2.179 44.257 42.059 0.031 0.000 1.024 403 L HN 0.478 nan 8.230 nan 0.000 0.507 404 P HA 0.147 nan 4.420 nan 0.000 0.270 404 P C -0.655 176.696 177.300 0.085 0.000 1.242 404 P CA 0.065 63.207 63.100 0.069 0.000 0.768 404 P CB 0.578 32.309 31.700 0.050 0.000 0.820 405 C N 2.270 121.649 119.300 0.131 0.000 2.848 405 C HA 0.799 5.259 4.460 -0.000 0.000 0.317 405 C C 0.371 175.462 174.990 0.169 0.000 1.260 405 C CA -0.094 59.028 59.018 0.172 0.000 1.656 405 C CB 2.301 30.181 27.740 0.233 0.000 2.174 405 C HN 0.458 nan 8.230 nan 0.000 0.479 406 T N -0.056 114.582 114.554 0.141 0.000 2.887 406 T HA 0.854 5.204 4.350 -0.000 0.000 0.292 406 T C -2.132 172.651 174.700 0.137 0.000 1.087 406 T CA -0.270 61.776 62.100 -0.090 0.000 1.009 406 T CB 1.243 70.039 68.868 -0.120 0.000 1.203 406 T HN 1.022 nan 8.240 nan 0.000 0.518 407 W N 0.572 121.864 121.300 -0.013 0.000 3.057 407 W HA 0.592 5.252 4.660 -0.000 0.000 0.328 407 W C -1.376 175.157 176.519 0.023 0.000 1.232 407 W CA -1.012 56.284 57.345 -0.082 0.000 1.187 407 W CB -0.173 29.222 29.460 -0.108 0.000 1.417 407 W HN 0.603 nan 8.180 nan 0.000 0.569 408 H N 2.426 121.607 119.070 0.186 0.000 3.038 408 H HA 0.126 4.682 4.556 -0.000 0.000 0.338 408 H C 0.155 175.525 175.328 0.070 0.000 1.041 408 H CA 1.287 57.388 56.048 0.089 0.000 1.394 408 H CB 0.229 30.040 29.762 0.082 0.000 1.357 408 H HN 0.553 nan 8.280 nan 0.000 0.600 409 H N 1.121 120.205 119.070 0.023 0.000 4.258 409 H HA 0.268 4.824 4.556 -0.000 0.000 0.430 409 H C -0.542 174.633 175.328 -0.255 0.000 1.305 409 H CA -0.324 55.644 56.048 -0.133 0.000 0.912 409 H CB 1.199 30.891 29.762 -0.117 0.000 0.937 409 H HN 0.584 nan 8.280 nan 0.000 0.783 410 H N 1.435 120.844 119.070 0.564 0.000 2.489 410 H HA 0.233 4.789 4.556 -0.000 0.000 0.343 410 H C 0.314 175.604 175.328 -0.063 0.000 1.086 410 H CA -0.523 55.586 56.048 0.102 0.000 1.198 410 H CB 0.917 30.652 29.762 -0.045 0.000 1.490 410 H HN 0.588 nan 8.280 nan 0.000 0.504 411 H N 0.000 119.181 119.070 0.186 0.000 2.539 411 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 411 H CA 0.000 56.096 56.048 0.079 0.000 1.023 411 H CB 0.000 29.804 29.762 0.071 0.000 1.292 411 H HN 0.000 nan 8.280 nan 0.000 0.496