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 2p53_1_A DATA FIRST_RESID 1 DATA SEQUENCE MYALTQGRIF TGHEFLDDHA VVIADGLIKS VCPVAELPPE IEQRSLNGAI DATA SEQUENCE LSPGFIDVQL NGCGGVQFND TAEAVSVETL EIMQKANEKS GCTNYLPTLI DATA SEQUENCE TTSDELMKQG VRVMREYLAK HPNQALGLHL EGPWLNLVKK GTHNPNFVRK DATA SEQUENCE PDAALVDFLC ENADVITKVT LAPEMVPAEV ISKLANAGIV VSAGHSNATL DATA SEQUENCE KEAKAGFRAG ITFATHLYNA MPYITGREPG LAGAILDEAD IYCGIIADGL DATA SEQUENCE HVDYANIRNA KRLKGDKLCL VTNATAPAGA NIEQFIFAGK TIYYRNGLCV DATA SEQUENCE DENGTLSGSS LTMIEGVRNL VEHCGIALDE VLRMATLYPA RAIGVEKRLG DATA SEQUENCE TLAAGKVANL TAFTPDFKIT KTIVNGNEVV TQ 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.367 176.300 0.112 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.574 32.600 -0.043 0.000 1.302 2 Y N -0.793 119.504 120.300 -0.005 0.000 2.670 2 Y HA 0.986 5.536 4.550 0.001 0.000 0.334 2 Y C -1.957 173.940 175.900 -0.004 0.000 1.185 2 Y CA -0.805 57.292 58.100 -0.005 0.000 1.053 2 Y CB 1.024 39.481 38.460 -0.005 0.000 1.298 2 Y HN 1.150 nan 8.280 nan 0.000 0.459 3 A N 1.895 124.833 122.820 0.198 0.000 2.386 3 A HA 0.776 5.096 4.320 0.001 0.000 0.311 3 A C -1.771 175.922 177.584 0.181 0.000 1.068 3 A CA -0.928 51.162 52.037 0.088 0.000 0.743 3 A CB 1.171 20.195 19.000 0.039 0.000 1.258 3 A HN 0.778 nan 8.150 nan 0.000 0.429 4 L N 2.396 123.691 121.223 0.122 0.000 2.275 4 L HA 0.640 4.980 4.340 0.001 0.000 0.288 4 L C 0.620 177.531 176.870 0.067 0.000 1.046 4 L CA -0.184 54.727 54.840 0.118 0.000 0.805 4 L CB 1.683 43.807 42.059 0.109 0.000 1.193 4 L HN 0.977 nan 8.230 nan 0.000 0.426 5 T N -1.023 113.564 114.554 0.056 0.000 2.804 5 T HA 0.407 4.758 4.350 0.001 0.000 0.290 5 T C -0.511 174.208 174.700 0.030 0.000 1.099 5 T CA -0.806 61.319 62.100 0.042 0.000 1.011 5 T CB 1.609 70.498 68.868 0.035 0.000 1.291 5 T HN 0.563 nan 8.240 nan 0.000 0.523 6 Q N -0.446 119.371 119.800 0.028 0.000 2.464 6 Q HA -0.044 4.297 4.340 0.001 0.000 0.304 6 Q C 0.068 176.074 176.000 0.010 0.000 1.401 6 Q CA 0.726 56.540 55.803 0.018 0.000 0.806 6 Q CB -1.962 26.781 28.738 0.009 0.000 1.134 6 Q HN 1.304 nan 8.270 nan 0.000 0.411 7 G N -0.166 108.646 108.800 0.020 0.000 2.576 7 G HA2 0.520 4.480 3.960 0.001 0.000 0.290 7 G HA3 0.520 4.480 3.960 0.001 0.000 0.290 7 G C -1.318 173.603 174.900 0.034 0.000 1.442 7 G CA -1.188 43.915 45.100 0.006 0.000 0.792 7 G HN 0.076 nan 8.290 nan 0.000 0.491 8 R N 0.155 120.675 120.500 0.034 0.000 2.267 8 R HA 0.349 4.690 4.340 0.001 0.000 0.319 8 R C -0.420 175.996 176.300 0.193 0.000 1.067 8 R CA -0.205 55.971 56.100 0.127 0.000 0.936 8 R CB 1.075 31.431 30.300 0.094 0.000 1.006 8 R HN 0.341 nan 8.270 nan 0.000 0.452 9 I N 4.212 124.889 120.570 0.178 0.000 2.312 9 I HA 0.185 4.355 4.170 0.001 0.000 0.290 9 I C -0.266 175.867 176.117 0.026 0.000 1.008 9 I CA -0.543 60.810 61.300 0.089 0.000 1.226 9 I CB 0.766 38.783 38.000 0.028 0.000 1.371 9 I HN 0.451 nan 8.210 nan 0.000 0.468 10 F N 6.106 125.905 119.950 -0.252 0.000 2.391 10 F HA 0.193 4.720 4.527 0.000 0.000 0.359 10 F C 1.491 177.122 175.800 -0.282 0.000 1.122 10 F CA -0.366 57.314 58.000 -0.533 0.000 1.120 10 F CB 1.242 39.793 39.000 -0.748 0.000 1.142 10 F HN 0.600 nan 8.300 nan 0.000 0.483 11 T N 0.999 115.047 114.554 -0.843 0.000 3.057 11 T HA 0.297 4.648 4.350 0.001 0.000 0.254 11 T C 1.402 175.608 174.700 -0.825 0.000 1.094 11 T CA 0.590 62.326 62.100 -0.607 0.000 1.088 11 T CB 0.277 68.938 68.868 -0.345 0.000 0.934 11 T HN 1.130 nan 8.240 nan 0.000 0.497 12 G N 0.371 108.151 108.800 -1.700 0.000 2.231 12 G HA2 -0.175 3.786 3.960 0.001 0.000 0.206 12 G HA3 -0.175 3.786 3.960 0.001 0.000 0.206 12 G C 0.728 175.014 174.900 -1.023 0.000 0.996 12 G CA 0.268 44.614 45.100 -1.256 0.000 0.645 12 G HN 0.560 nan 8.290 nan 0.000 0.498 13 H N 0.740 119.458 119.070 -0.588 0.000 3.205 13 H HA 0.266 4.822 4.556 0.000 0.000 0.252 13 H C 0.955 176.198 175.328 -0.141 0.000 1.015 13 H CA 1.350 57.262 56.048 -0.226 0.000 1.192 13 H CB 1.286 30.957 29.762 -0.151 0.000 1.474 13 H HN 0.778 nan 8.280 nan 0.000 0.484 14 E N -0.475 119.618 120.200 -0.179 0.000 2.409 14 E HA 0.229 4.579 4.350 0.001 0.000 0.280 14 E C -1.691 174.883 176.600 -0.044 0.000 1.079 14 E CA -0.759 55.645 56.400 0.006 0.000 0.840 14 E CB 1.155 30.871 29.700 0.027 0.000 1.309 14 E HN -0.150 nan 8.360 nan 0.000 0.447 15 F N 0.951 120.990 119.950 0.148 0.000 2.408 15 F HA 0.451 4.979 4.527 0.001 0.000 0.344 15 F C -0.202 175.593 175.800 -0.008 0.000 1.112 15 F CA -0.533 57.546 58.000 0.132 0.000 1.096 15 F CB 1.195 40.271 39.000 0.128 0.000 1.129 15 F HN 0.205 nan 8.300 nan 0.000 0.486 16 L N 4.265 125.561 121.223 0.123 0.000 2.346 16 L HA 0.461 4.801 4.340 0.001 0.000 0.276 16 L C -0.833 176.059 176.870 0.037 0.000 1.006 16 L CA -0.820 53.968 54.840 -0.086 0.000 0.817 16 L CB 1.669 43.474 42.059 -0.423 0.000 1.272 16 L HN 0.496 nan 8.230 nan 0.000 0.421 17 D N 2.272 122.714 120.400 0.071 0.000 2.252 17 D HA 0.185 4.825 4.640 0.001 0.000 0.245 17 D C -0.456 175.982 176.300 0.231 0.000 1.009 17 D CA -0.238 53.835 54.000 0.123 0.000 0.870 17 D CB 2.044 42.894 40.800 0.083 0.000 1.251 17 D HN 0.560 nan 8.370 nan 0.000 0.460 18 D N 0.935 121.432 120.400 0.161 0.000 2.870 18 D HA -0.168 4.472 4.640 0.001 0.000 0.228 18 D C 0.012 176.388 176.300 0.127 0.000 1.147 18 D CA 1.166 55.240 54.000 0.124 0.000 0.757 18 D CB -0.997 39.852 40.800 0.082 0.000 1.091 18 D HN 0.537 nan 8.370 nan 0.000 0.429 19 H N -0.996 118.085 119.070 0.018 0.000 2.824 19 H HA 0.802 5.359 4.556 0.001 0.000 0.345 19 H C 0.067 175.401 175.328 0.009 0.000 1.252 19 H CA -0.498 55.557 56.048 0.012 0.000 1.246 19 H CB 2.158 31.928 29.762 0.013 0.000 1.908 19 H HN 0.112 nan 8.280 nan 0.000 0.601 20 A N 0.808 123.704 122.820 0.126 0.000 2.539 20 A HA 0.513 4.833 4.320 0.001 0.000 0.296 20 A C -1.413 176.199 177.584 0.047 0.000 1.073 20 A CA -0.527 51.548 52.037 0.064 0.000 0.700 20 A CB 1.593 20.608 19.000 0.025 0.000 1.296 20 A HN 0.293 nan 8.150 nan 0.000 0.405 21 V N 1.731 121.657 119.914 0.020 0.000 2.357 21 V HA 0.405 4.525 4.120 0.001 0.000 0.284 21 V C -0.338 175.719 176.094 -0.063 0.000 1.018 21 V CA -0.515 61.775 62.300 -0.015 0.000 0.841 21 V CB 1.315 33.127 31.823 -0.018 0.000 0.991 21 V HN 0.650 nan 8.190 nan 0.000 0.437 22 V N 6.959 126.822 119.914 -0.085 0.000 2.432 22 V HA 0.459 4.579 4.120 0.001 0.000 0.275 22 V C -0.002 175.960 176.094 -0.221 0.000 1.043 22 V CA -0.234 61.981 62.300 -0.142 0.000 0.925 22 V CB 1.490 33.258 31.823 -0.091 0.000 0.985 22 V HN 0.658 nan 8.190 nan 0.000 0.466 23 I N 4.424 124.744 120.570 -0.417 0.000 2.378 23 I HA 0.775 4.946 4.170 0.001 0.000 0.291 23 I C 0.112 176.009 176.117 -0.367 0.000 0.992 23 I CA -0.324 60.701 61.300 -0.459 0.000 1.154 23 I CB 1.734 39.272 38.000 -0.771 0.000 1.315 23 I HN 0.689 nan 8.210 nan 0.000 0.448 24 A N 3.818 126.524 122.820 -0.191 0.000 2.455 24 A HA 0.581 4.902 4.320 0.001 0.000 0.300 24 A C -0.708 176.838 177.584 -0.062 0.000 1.040 24 A CA -0.543 51.430 52.037 -0.106 0.000 0.697 24 A CB 0.943 19.896 19.000 -0.079 0.000 1.265 24 A HN 0.767 nan 8.150 nan 0.000 0.407 25 D N 1.486 121.868 120.400 -0.030 0.000 2.697 25 D HA -0.165 4.475 4.640 0.001 0.000 0.235 25 D C 1.226 177.516 176.300 -0.017 0.000 1.167 25 D CA 2.834 56.825 54.000 -0.015 0.000 0.656 25 D CB -1.276 39.513 40.800 -0.018 0.000 1.025 25 D HN 2.105 nan 8.370 nan 0.000 0.419 26 G N -1.357 107.437 108.800 -0.010 0.000 2.180 26 G HA2 -0.315 3.646 3.960 0.001 0.000 0.263 26 G HA3 -0.315 3.646 3.960 0.001 0.000 0.263 26 G C 0.331 175.219 174.900 -0.021 0.000 0.989 26 G CA 0.886 45.983 45.100 -0.006 0.000 0.692 26 G HN 0.548 nan 8.290 nan 0.000 0.526 27 L N -0.768 120.430 121.223 -0.041 0.000 2.309 27 L HA 0.641 4.981 4.340 0.001 0.000 0.261 27 L C 0.545 177.372 176.870 -0.071 0.000 1.021 27 L CA -1.431 53.382 54.840 -0.045 0.000 0.823 27 L CB 1.909 43.946 42.059 -0.037 0.000 1.366 27 L HN -0.057 nan 8.230 nan 0.000 0.423 28 I N 1.694 122.226 120.570 -0.062 0.000 2.322 28 I HA 0.072 4.242 4.170 0.001 0.000 0.292 28 I C 1.080 177.158 176.117 -0.066 0.000 1.060 28 I CA 0.131 61.386 61.300 -0.075 0.000 1.309 28 I CB 1.211 39.177 38.000 -0.058 0.000 1.415 28 I HN 0.681 nan 8.210 nan 0.000 0.492 29 K N 4.583 124.935 120.400 -0.080 0.000 2.076 29 K HA -0.013 4.307 4.320 0.001 0.000 0.204 29 K C 0.388 176.959 176.600 -0.047 0.000 1.051 29 K CA 0.928 57.178 56.287 -0.062 0.000 0.949 29 K CB 0.353 32.810 32.500 -0.072 0.000 0.726 29 K HN 0.757 nan 8.250 nan 0.000 0.443 30 S N -1.501 114.170 115.700 -0.049 0.000 2.587 30 S HA 0.419 4.889 4.470 0.001 0.000 0.269 30 S C -1.145 173.444 174.600 -0.017 0.000 1.154 30 S CA -1.126 57.057 58.200 -0.028 0.000 0.824 30 S CB 2.284 65.470 63.200 -0.024 0.000 1.118 30 S HN -0.146 nan 8.310 nan 0.000 0.462 31 V N 1.006 120.924 119.914 0.008 0.000 2.443 31 V HA 0.546 4.667 4.120 0.001 0.000 0.272 31 V C -0.539 175.625 176.094 0.117 0.000 1.002 31 V CA -0.408 61.919 62.300 0.045 0.000 0.840 31 V CB -0.080 31.752 31.823 0.015 0.000 1.042 31 V HN 1.196 nan 8.190 nan 0.000 0.446 32 C N 4.006 123.375 119.300 0.114 0.000 3.213 32 C HA 0.667 5.127 4.460 0.001 0.000 0.319 32 C C -2.666 172.210 174.990 -0.189 0.000 1.386 32 C CA -1.619 57.440 59.018 0.067 0.000 1.494 32 C CB 2.660 30.390 27.740 -0.015 0.000 1.905 32 C HN 0.492 nan 8.230 nan 0.000 0.456 33 P HA 0.016 nan 4.420 nan 0.000 0.267 33 P C 0.654 177.782 177.300 -0.287 0.000 1.200 33 P CA 0.384 63.044 63.100 -0.733 0.000 0.772 33 P CB 0.439 31.860 31.700 -0.466 0.000 0.855 34 V N 2.939 122.736 119.914 -0.195 0.000 3.026 34 V HA -0.233 3.887 4.120 0.001 0.000 0.265 34 V C 1.796 177.848 176.094 -0.071 0.000 1.121 34 V CA 2.465 64.714 62.300 -0.085 0.000 1.142 34 V CB -1.296 30.503 31.823 -0.041 0.000 0.730 34 V HN 0.654 nan 8.190 nan 0.000 0.503 35 A N -0.649 122.117 122.820 -0.089 0.000 2.119 35 A HA -0.068 4.253 4.320 0.001 0.000 0.217 35 A C 1.896 179.448 177.584 -0.053 0.000 1.153 35 A CA 1.222 53.222 52.037 -0.062 0.000 0.692 35 A CB -0.253 18.710 19.000 -0.062 0.000 0.799 35 A HN 0.701 nan 8.150 nan 0.000 0.458 36 E N -0.265 119.896 120.200 -0.064 0.000 2.479 36 E HA 0.198 4.549 4.350 0.001 0.000 0.193 36 E C -0.444 176.135 176.600 -0.036 0.000 1.049 36 E CA -0.431 55.941 56.400 -0.047 0.000 0.870 36 E CB 0.034 29.703 29.700 -0.052 0.000 0.944 36 E HN 0.528 nan 8.360 nan 0.000 0.492 37 L N 2.887 124.090 121.223 -0.034 0.000 2.525 37 L HA 0.054 4.394 4.340 0.001 0.000 0.278 37 L C -1.971 174.889 176.870 -0.017 0.000 1.218 37 L CA -1.481 53.345 54.840 -0.023 0.000 0.878 37 L CB -0.251 41.799 42.059 -0.016 0.000 1.127 37 L HN -0.196 nan 8.230 nan 0.000 0.492 38 P HA 0.064 nan 4.420 nan 0.000 0.266 38 P C -2.428 174.869 177.300 -0.006 0.000 1.195 38 P CA -0.743 62.350 63.100 -0.011 0.000 0.768 38 P CB -0.043 31.651 31.700 -0.011 0.000 0.838 39 P HA 0.005 nan 4.420 nan 0.000 0.263 39 P C -0.030 177.271 177.300 0.001 0.000 1.195 39 P CA 0.590 63.688 63.100 -0.003 0.000 0.762 39 P CB 0.087 31.785 31.700 -0.004 0.000 0.799 40 E N 0.110 120.312 120.200 0.003 0.000 3.496 40 E HA -0.225 4.126 4.350 0.001 0.000 0.300 40 E C 0.454 177.062 176.600 0.014 0.000 0.877 40 E CA 0.178 56.582 56.400 0.007 0.000 1.050 40 E CB -1.670 28.033 29.700 0.005 0.000 1.532 40 E HN 0.569 nan 8.360 nan 0.000 0.447 41 I N -0.941 119.638 120.570 0.016 0.000 2.638 41 I HA 0.223 4.393 4.170 0.001 0.000 0.286 41 I C 0.739 176.882 176.117 0.043 0.000 1.088 41 I CA -0.464 60.854 61.300 0.030 0.000 1.397 41 I CB 0.765 38.780 38.000 0.025 0.000 1.414 41 I HN -0.039 nan 8.210 nan 0.000 0.566 42 E N 4.519 124.758 120.200 0.066 0.000 2.465 42 E HA 0.002 4.353 4.350 0.001 0.000 0.260 42 E C -0.904 175.751 176.600 0.091 0.000 0.980 42 E CA 0.118 56.560 56.400 0.070 0.000 0.927 42 E CB 0.571 30.320 29.700 0.081 0.000 0.934 42 E HN 0.645 nan 8.360 nan 0.000 0.459 43 Q N 4.031 123.866 119.800 0.058 0.000 2.357 43 Q HA 0.304 4.644 4.340 0.001 0.000 0.266 43 Q C -0.951 175.075 176.000 0.044 0.000 1.021 43 Q CA -0.473 55.366 55.803 0.061 0.000 0.784 43 Q CB 1.700 30.460 28.738 0.036 0.000 1.243 43 Q HN 0.339 nan 8.270 nan 0.000 0.465 44 R N 1.318 121.857 120.500 0.065 0.000 2.229 44 R HA 0.305 4.645 4.340 0.001 0.000 0.332 44 R C -0.221 176.097 176.300 0.030 0.000 0.989 44 R CA -0.353 55.760 56.100 0.022 0.000 0.842 44 R CB 1.622 31.913 30.300 -0.015 0.000 1.119 44 R HN 0.378 nan 8.270 nan 0.000 0.456 45 S N 2.590 118.297 115.700 0.011 0.000 2.564 45 S HA 0.141 4.612 4.470 0.001 0.000 0.278 45 S C 1.095 175.698 174.600 0.005 0.000 1.333 45 S CA -0.525 57.681 58.200 0.010 0.000 1.048 45 S CB 0.527 63.728 63.200 0.002 0.000 0.900 45 S HN 0.605 nan 8.310 nan 0.000 0.505 46 L N 4.055 125.281 121.223 0.004 0.000 2.592 46 L HA 0.296 4.637 4.340 0.001 0.000 0.227 46 L C 1.359 178.218 176.870 -0.017 0.000 1.127 46 L CA 0.213 55.048 54.840 -0.007 0.000 0.884 46 L CB -0.707 41.345 42.059 -0.011 0.000 1.065 46 L HN 0.940 nan 8.230 nan 0.000 0.457 47 N N 0.632 119.324 118.700 -0.013 0.000 2.725 47 N HA -0.251 4.490 4.740 0.001 0.000 0.249 47 N C 0.949 176.444 175.510 -0.025 0.000 1.103 47 N CA 0.231 53.271 53.050 -0.016 0.000 0.707 47 N CB -0.535 37.944 38.487 -0.014 0.000 1.043 47 N HN 0.590 nan 8.380 nan 0.000 0.553 48 G N -2.162 106.621 108.800 -0.028 0.000 2.157 48 G HA2 -0.163 3.798 3.960 0.001 0.000 0.248 48 G HA3 -0.163 3.798 3.960 0.001 0.000 0.248 48 G C 0.245 175.104 174.900 -0.068 0.000 0.979 48 G CA 0.683 45.758 45.100 -0.040 0.000 0.650 48 G HN 0.987 nan 8.290 nan 0.000 0.529 49 A N -0.583 122.191 122.820 -0.076 0.000 2.296 49 A HA 0.756 5.077 4.320 0.001 0.000 0.264 49 A C 0.354 177.824 177.584 -0.189 0.000 1.097 49 A CA -0.068 51.888 52.037 -0.135 0.000 0.811 49 A CB 0.377 19.310 19.000 -0.112 0.000 1.072 49 A HN 0.745 nan 8.150 nan 0.000 0.495 50 I N 0.379 120.719 120.570 -0.383 0.000 2.395 50 I HA 0.259 4.430 4.170 0.001 0.000 0.289 50 I C 0.070 175.947 176.117 -0.400 0.000 1.023 50 I CA 0.322 61.378 61.300 -0.407 0.000 1.350 50 I CB 0.973 38.541 38.000 -0.722 0.000 1.409 50 I HN 0.465 nan 8.210 nan 0.000 0.507 51 L N 5.834 126.978 121.223 -0.131 0.000 2.296 51 L HA 0.639 4.979 4.340 0.001 0.000 0.286 51 L C -0.210 176.671 176.870 0.018 0.000 1.023 51 L CA -0.044 54.757 54.840 -0.064 0.000 0.812 51 L CB 1.406 43.458 42.059 -0.013 0.000 1.223 51 L HN 0.769 nan 8.230 nan 0.000 0.421 52 S N 5.594 121.325 115.700 0.052 0.000 2.627 52 S HA 0.701 5.171 4.470 0.001 0.000 0.283 52 S C -2.798 171.848 174.600 0.077 0.000 1.127 52 S CA -1.391 56.904 58.200 0.158 0.000 0.863 52 S CB 2.414 65.827 63.200 0.354 0.000 1.121 52 S HN 0.311 nan 8.310 nan 0.000 0.479 53 P HA 0.252 nan 4.420 nan 0.000 0.269 53 P C -0.171 177.133 177.300 0.007 0.000 1.215 53 P CA 0.075 63.201 63.100 0.043 0.000 0.780 53 P CB 0.197 31.932 31.700 0.059 0.000 0.898 54 G N 2.055 110.831 108.800 -0.039 0.000 2.432 54 G HA2 0.180 4.140 3.960 0.001 0.000 0.239 54 G HA3 0.180 4.140 3.960 0.001 0.000 0.239 54 G C -0.549 174.364 174.900 0.022 0.000 1.291 54 G CA -0.272 44.754 45.100 -0.123 0.000 0.863 54 G HN 0.231 nan 8.290 nan 0.000 0.560 55 F N 0.371 120.364 119.950 0.072 0.000 2.518 55 F HA 0.331 4.858 4.527 0.001 0.000 0.359 55 F C 0.966 176.800 175.800 0.057 0.000 1.118 55 F CA -0.843 57.190 58.000 0.056 0.000 1.287 55 F CB 0.578 39.600 39.000 0.037 0.000 1.132 55 F HN 0.144 nan 8.300 nan 0.000 0.587 56 I N 2.712 123.436 120.570 0.257 0.000 2.382 56 I HA 0.191 4.361 4.170 0.001 0.000 0.286 56 I C -0.702 175.500 176.117 0.141 0.000 1.002 56 I CA -0.663 60.735 61.300 0.163 0.000 1.135 56 I CB 1.517 39.582 38.000 0.109 0.000 1.288 56 I HN 0.366 nan 8.210 nan 0.000 0.448 57 D N 6.047 126.537 120.400 0.150 0.000 2.412 57 D HA 0.199 4.839 4.640 0.001 0.000 0.224 57 D C 0.775 177.151 176.300 0.126 0.000 1.093 57 D CA -0.424 53.655 54.000 0.131 0.000 0.850 57 D CB 1.834 42.709 40.800 0.124 0.000 1.046 57 D HN 0.372 nan 8.370 nan 0.000 0.507 58 V N 1.781 121.751 119.914 0.093 0.000 3.573 58 V HA 0.181 4.302 4.120 0.001 0.000 0.270 58 V C 0.427 176.591 176.094 0.116 0.000 1.221 58 V CA 0.169 62.487 62.300 0.030 0.000 1.163 58 V CB -0.848 30.919 31.823 -0.094 0.000 0.847 58 V HN 0.529 nan 8.190 nan 0.000 0.468 59 Q N 0.773 120.686 119.800 0.189 0.000 2.483 59 Q HA 0.626 4.967 4.340 0.001 0.000 0.245 59 Q C -1.964 174.138 176.000 0.170 0.000 0.902 59 Q CA -0.553 55.409 55.803 0.266 0.000 0.767 59 Q CB 1.914 30.824 28.738 0.287 0.000 1.341 59 Q HN 0.442 nan 8.270 nan 0.000 0.453 60 L N 4.180 125.491 121.223 0.146 0.000 2.580 60 L HA 0.500 4.840 4.340 0.001 0.000 0.266 60 L C -0.757 176.140 176.870 0.044 0.000 0.955 60 L CA -0.045 54.837 54.840 0.070 0.000 0.886 60 L CB 1.748 43.830 42.059 0.039 0.000 1.263 60 L HN 0.678 nan 8.230 nan 0.000 0.406 61 N N 2.937 121.635 118.700 -0.004 0.000 2.395 61 N HA 0.307 5.048 4.740 0.001 0.000 0.175 61 N C 0.495 175.923 175.510 -0.138 0.000 1.029 61 N CA 0.830 53.850 53.050 -0.051 0.000 0.897 61 N CB 1.057 39.477 38.487 -0.111 0.000 0.991 61 N HN 0.698 nan 8.380 nan 0.000 0.441 62 G N -0.099 108.587 108.800 -0.191 0.000 2.451 62 G HA2 0.475 4.436 3.960 0.001 0.000 0.292 62 G HA3 0.475 4.436 3.960 0.001 0.000 0.292 62 G C -1.573 173.172 174.900 -0.260 0.000 1.427 62 G CA -0.339 44.623 45.100 -0.230 0.000 0.792 62 G HN 0.354 nan 8.290 nan 0.000 0.498 63 C N -2.832 116.314 119.300 -0.256 0.000 3.034 63 C HA 0.782 5.243 4.460 0.001 0.000 0.336 63 C C 1.269 176.136 174.990 -0.204 0.000 1.304 63 C CA 0.254 59.127 59.018 -0.241 0.000 1.197 63 C CB 1.101 28.701 27.740 -0.232 0.000 1.373 63 C HN 2.974 nan 8.230 nan 0.000 0.459 64 G N 0.013 108.707 108.800 -0.177 0.000 2.166 64 G HA2 0.313 4.274 3.960 0.001 0.000 0.260 64 G HA3 0.313 4.274 3.960 0.001 0.000 0.260 64 G C 1.780 176.603 174.900 -0.128 0.000 0.986 64 G CA 1.721 46.739 45.100 -0.137 0.000 0.683 64 G HN 3.401 nan 8.290 nan 0.000 0.527 65 G N -3.050 105.651 108.800 -0.165 0.000 2.176 65 G HA2 0.146 4.106 3.960 0.001 0.000 0.232 65 G HA3 0.146 4.106 3.960 0.001 0.000 0.232 65 G C 0.796 175.618 174.900 -0.130 0.000 0.986 65 G CA 1.230 46.243 45.100 -0.144 0.000 0.643 65 G HN 2.320 nan 8.290 nan 0.000 0.522 66 V N -3.710 116.118 119.914 -0.145 0.000 3.126 66 V HA 0.959 5.079 4.120 0.001 0.000 0.314 66 V C -0.577 175.431 176.094 -0.144 0.000 1.138 66 V CA -1.172 61.064 62.300 -0.106 0.000 1.034 66 V CB 2.098 33.889 31.823 -0.055 0.000 1.075 66 V HN 0.249 nan 8.190 nan 0.000 0.442 67 Q N 1.014 120.760 119.800 -0.090 0.000 2.372 67 Q HA 0.464 4.804 4.340 0.001 0.000 0.273 67 Q C -1.669 174.341 176.000 0.016 0.000 1.078 67 Q CA -0.303 55.437 55.803 -0.105 0.000 0.806 67 Q CB 2.879 31.528 28.738 -0.149 0.000 1.332 67 Q HN 0.923 nan 8.270 nan 0.000 0.435 68 F N 3.299 123.178 119.950 -0.117 0.000 2.753 68 F HA 0.348 4.875 4.527 0.000 0.000 0.314 68 F C -0.637 175.128 175.800 -0.059 0.000 1.215 68 F CA -0.006 57.952 58.000 -0.069 0.000 1.243 68 F CB -0.022 38.948 39.000 -0.051 0.000 1.400 68 F HN 0.338 nan 8.300 nan 0.000 0.548 69 N N 0.477 119.096 118.700 -0.135 0.000 3.106 69 N HA 0.195 4.935 4.740 0.001 0.000 0.253 69 N C -0.278 175.187 175.510 -0.075 0.000 1.506 69 N CA -0.102 52.888 53.050 -0.100 0.000 0.876 69 N CB 1.672 40.206 38.487 0.078 0.000 1.452 69 N HN 0.089 nan 8.380 nan 0.000 0.542 70 D N -0.675 119.698 120.400 -0.045 0.000 4.137 70 D HA -0.206 4.434 4.640 0.001 0.000 0.214 70 D C 0.257 176.515 176.300 -0.069 0.000 1.236 70 D CA 2.677 56.659 54.000 -0.031 0.000 2.360 70 D CB -1.014 39.815 40.800 0.049 0.000 1.205 70 D HN 0.721 nan 8.370 nan 0.000 0.406 71 T N -3.073 111.435 114.554 -0.076 0.000 2.932 71 T HA 0.777 5.127 4.350 0.001 0.000 0.289 71 T C 1.051 175.687 174.700 -0.106 0.000 1.039 71 T CA -0.084 61.974 62.100 -0.072 0.000 1.024 71 T CB 2.016 70.862 68.868 -0.038 0.000 1.090 71 T HN 0.282 nan 8.240 nan 0.000 0.496 72 A N 0.629 123.401 122.820 -0.081 0.000 2.015 72 A HA 0.037 4.357 4.320 0.001 0.000 0.219 72 A C 1.954 179.498 177.584 -0.067 0.000 1.163 72 A CA 1.367 53.355 52.037 -0.083 0.000 0.646 72 A CB -0.904 18.065 19.000 -0.053 0.000 0.806 72 A HN 0.914 nan 8.150 nan 0.000 0.448 73 E N 0.292 120.463 120.200 -0.048 0.000 2.047 73 E HA 0.015 4.366 4.350 0.001 0.000 0.191 73 E C 2.214 178.794 176.600 -0.034 0.000 0.987 73 E CA 1.345 57.728 56.400 -0.029 0.000 0.799 73 E CB -0.471 29.219 29.700 -0.015 0.000 0.752 73 E HN 0.547 nan 8.360 nan 0.000 0.449 74 A N 0.844 123.631 122.820 -0.056 0.000 1.930 74 A HA -0.043 4.278 4.320 0.001 0.000 0.217 74 A C 1.304 178.823 177.584 -0.108 0.000 1.175 74 A CA 0.517 52.519 52.037 -0.058 0.000 0.627 74 A CB -0.261 18.701 19.000 -0.063 0.000 0.815 74 A HN 0.107 nan 8.150 nan 0.000 0.443 75 V N 2.489 122.252 119.914 -0.251 0.000 2.324 75 V HA 0.287 4.408 4.120 0.001 0.000 0.244 75 V C 0.321 176.330 176.094 -0.140 0.000 1.144 75 V CA 0.527 62.516 62.300 -0.518 0.000 1.158 75 V CB -1.268 30.184 31.823 -0.617 0.000 1.254 75 V HN 0.622 nan 8.190 nan 0.000 0.492 76 S N 2.276 118.050 115.700 0.123 0.000 2.685 76 S HA 0.536 5.006 4.470 0.001 0.000 0.282 76 S C 0.764 175.543 174.600 0.299 0.000 1.159 76 S CA -0.143 58.173 58.200 0.193 0.000 0.833 76 S CB 1.793 65.059 63.200 0.110 0.000 1.151 76 S HN 0.482 nan 8.310 nan 0.000 0.485 77 V N -1.145 118.909 119.914 0.233 0.000 2.515 77 V HA -0.041 4.080 4.120 0.001 0.000 0.250 77 V C 2.172 178.402 176.094 0.227 0.000 1.058 77 V CA 2.170 64.631 62.300 0.268 0.000 1.064 77 V CB -1.317 30.660 31.823 0.258 0.000 0.675 77 V HN 1.024 nan 8.190 nan 0.000 0.461 78 E N 0.777 121.076 120.200 0.164 0.000 2.077 78 E HA -0.209 4.142 4.350 0.001 0.000 0.193 78 E C 2.202 178.863 176.600 0.101 0.000 0.989 78 E CA 2.029 58.501 56.400 0.119 0.000 0.800 78 E CB -0.281 29.471 29.700 0.087 0.000 0.746 78 E HN 0.700 nan 8.360 nan 0.000 0.452 79 T N 1.324 115.953 114.554 0.124 0.000 2.708 79 T HA -0.154 4.196 4.350 0.001 0.000 0.266 79 T C 1.711 176.449 174.700 0.062 0.000 1.037 79 T CA 0.937 63.104 62.100 0.111 0.000 1.146 79 T CB -0.191 68.803 68.868 0.210 0.000 0.865 79 T HN 0.067 nan 8.240 nan 0.000 0.435 80 L N 1.334 122.583 121.223 0.043 0.000 2.042 80 L HA -0.071 4.270 4.340 0.001 0.000 0.210 80 L C 2.391 179.262 176.870 0.001 0.000 1.076 80 L CA 1.672 56.437 54.840 -0.126 0.000 0.749 80 L CB -0.885 40.927 42.059 -0.413 0.000 0.893 80 L HN 0.382 nan 8.230 nan 0.000 0.432 81 E N -0.972 119.280 120.200 0.088 0.000 2.107 81 E HA -0.164 4.187 4.350 0.001 0.000 0.191 81 E C 2.333 178.934 176.600 0.002 0.000 0.982 81 E CA 0.927 57.356 56.400 0.049 0.000 0.809 81 E CB -0.070 29.652 29.700 0.036 0.000 0.756 81 E HN 0.469 nan 8.360 nan 0.000 0.459 82 I N 0.717 121.286 120.570 -0.002 0.000 2.252 82 I HA -0.257 3.914 4.170 0.001 0.000 0.245 82 I C 2.438 178.506 176.117 -0.081 0.000 1.102 82 I CA 1.054 62.335 61.300 -0.031 0.000 1.385 82 I CB -0.151 37.834 38.000 -0.025 0.000 1.064 82 I HN 0.146 nan 8.210 nan 0.000 0.414 83 M N -0.157 119.371 119.600 -0.119 0.000 2.159 83 M HA -0.240 4.240 4.480 0.001 0.000 0.263 83 M C 2.361 178.469 176.300 -0.319 0.000 1.063 83 M CA 1.678 56.821 55.300 -0.261 0.000 1.110 83 M CB -0.358 32.025 32.600 -0.361 0.000 1.374 83 M HN 0.174 nan 8.290 nan 0.000 0.411 84 Q N 1.030 120.742 119.800 -0.148 0.000 2.050 84 Q HA -0.145 4.195 4.340 0.001 0.000 0.202 84 Q C 1.825 177.796 176.000 -0.048 0.000 0.980 84 Q CA 1.660 57.449 55.803 -0.024 0.000 0.840 84 Q CB -0.040 28.778 28.738 0.133 0.000 0.898 84 Q HN 0.213 nan 8.270 nan 0.000 0.424 85 K N 0.008 120.380 120.400 -0.046 0.000 2.097 85 K HA -0.050 4.270 4.320 0.001 0.000 0.206 85 K C 1.994 178.563 176.600 -0.052 0.000 1.049 85 K CA 1.196 57.462 56.287 -0.035 0.000 0.933 85 K CB -0.466 32.017 32.500 -0.027 0.000 0.717 85 K HN 0.343 nan 8.250 nan 0.000 0.442 86 A N 2.034 124.802 122.820 -0.086 0.000 1.897 86 A HA -0.160 4.161 4.320 0.001 0.000 0.215 86 A C 1.950 179.479 177.584 -0.091 0.000 1.181 86 A CA 1.370 53.352 52.037 -0.092 0.000 0.620 86 A CB -0.406 18.519 19.000 -0.124 0.000 0.821 86 A HN 0.238 nan 8.150 nan 0.000 0.443 87 N N 0.272 118.895 118.700 -0.129 0.000 2.069 87 N HA -0.169 4.571 4.740 0.001 0.000 0.191 87 N C 1.589 177.084 175.510 -0.025 0.000 1.031 87 N CA 1.711 54.702 53.050 -0.099 0.000 0.852 87 N CB -0.508 37.888 38.487 -0.152 0.000 1.018 87 N HN 0.660 nan 8.380 nan 0.000 0.423 88 E N 0.612 120.799 120.200 -0.020 0.000 2.171 88 E HA -0.172 4.179 4.350 0.001 0.000 0.197 88 E C 1.633 178.232 176.600 -0.001 0.000 0.997 88 E CA 1.072 57.470 56.400 -0.004 0.000 0.810 88 E CB -0.047 29.653 29.700 -0.000 0.000 0.738 88 E HN 0.379 nan 8.360 nan 0.000 0.467 89 K N 0.229 120.625 120.400 -0.005 0.000 2.283 89 K HA -0.053 4.268 4.320 0.001 0.000 0.202 89 K C 1.459 178.074 176.600 0.025 0.000 1.048 89 K CA 1.240 57.530 56.287 0.004 0.000 0.948 89 K CB 0.179 32.673 32.500 -0.010 0.000 0.742 89 K HN 0.055 nan 8.250 nan 0.000 0.458 90 S N -1.224 114.497 115.700 0.035 0.000 2.588 90 S HA 0.304 4.775 4.470 0.001 0.000 0.245 90 S C 0.983 175.678 174.600 0.158 0.000 1.021 90 S CA -0.137 58.111 58.200 0.080 0.000 1.006 90 S CB 0.775 64.009 63.200 0.056 0.000 0.830 90 S HN 0.365 nan 8.310 nan 0.000 0.468 91 G N 0.476 109.314 108.800 0.064 0.000 2.184 91 G HA2 -0.318 3.643 3.960 0.001 0.000 0.264 91 G HA3 -0.318 3.643 3.960 0.001 0.000 0.264 91 G C 0.335 175.155 174.900 -0.134 0.000 0.975 91 G CA 0.017 45.053 45.100 -0.107 0.000 0.642 91 G HN 0.945 nan 8.290 nan 0.000 0.536 92 C N 2.537 121.898 119.300 0.102 0.000 2.349 92 C HA 0.686 5.146 4.460 0.001 0.000 0.348 92 C C 2.106 177.142 174.990 0.076 0.000 1.223 92 C CA 0.846 59.954 59.018 0.150 0.000 1.746 92 C CB -0.289 27.547 27.740 0.161 0.000 2.360 92 C HN 0.744 nan 8.230 nan 0.000 0.533 93 T N 1.941 116.537 114.554 0.070 0.000 3.037 93 T HA 0.221 4.572 4.350 0.001 0.000 0.251 93 T C 0.236 175.009 174.700 0.122 0.000 1.079 93 T CA 0.184 62.326 62.100 0.071 0.000 1.067 93 T CB -0.241 68.647 68.868 0.032 0.000 0.948 93 T HN 0.731 nan 8.240 nan 0.000 0.496 94 N N 0.724 119.515 118.700 0.152 0.000 2.242 94 N HA 0.627 5.367 4.740 0.001 0.000 0.292 94 N C -1.678 173.968 175.510 0.227 0.000 1.125 94 N CA -0.983 52.156 53.050 0.148 0.000 0.783 94 N CB 2.046 40.573 38.487 0.067 0.000 1.558 94 N HN 0.462 nan 8.380 nan 0.000 0.472 95 Y N -1.012 119.270 120.300 -0.031 0.000 2.713 95 Y HA 0.693 5.243 4.550 0.001 0.000 0.335 95 Y C -2.363 173.485 175.900 -0.087 0.000 1.222 95 Y CA -1.303 56.768 58.100 -0.048 0.000 1.061 95 Y CB 0.726 39.151 38.460 -0.059 0.000 1.314 95 Y HN 0.274 nan 8.280 nan 0.000 0.453 96 L N 4.347 125.525 121.223 -0.074 0.000 2.318 96 L HA 0.550 4.890 4.340 0.001 0.000 0.277 96 L C -2.552 174.292 176.870 -0.042 0.000 1.008 96 L CA -2.710 52.028 54.840 -0.171 0.000 0.846 96 L CB 1.358 43.385 42.059 -0.054 0.000 1.220 96 L HN 0.460 nan 8.230 nan 0.000 0.423 97 P HA 0.053 nan 4.420 nan 0.000 0.262 97 P C -0.625 176.681 177.300 0.009 0.000 1.199 97 P CA -0.052 62.969 63.100 -0.131 0.000 0.763 97 P CB 0.296 31.582 31.700 -0.691 0.000 0.790 98 T N 5.019 119.626 114.554 0.087 0.000 2.781 98 T HA 0.295 4.646 4.350 0.001 0.000 0.305 98 T C 0.043 174.787 174.700 0.074 0.000 1.001 98 T CA -0.341 61.763 62.100 0.008 0.000 0.950 98 T CB 0.207 69.006 68.868 -0.115 0.000 0.955 98 T HN 0.205 nan 8.240 nan 0.000 0.471 99 L N 6.770 128.037 121.223 0.074 0.000 2.257 99 L HA 0.606 4.947 4.340 0.001 0.000 0.290 99 L C -0.151 176.671 176.870 -0.079 0.000 1.044 99 L CA -0.699 54.163 54.840 0.036 0.000 0.810 99 L CB 0.007 42.087 42.059 0.036 0.000 1.193 99 L HN 0.654 nan 8.230 nan 0.000 0.425 100 I N 0.717 121.230 120.570 -0.096 0.000 2.934 100 I HA 0.440 4.610 4.170 0.001 0.000 0.315 100 I C 0.370 176.310 176.117 -0.294 0.000 0.997 100 I CA -0.642 60.522 61.300 -0.226 0.000 1.184 100 I CB 1.036 38.782 38.000 -0.423 0.000 1.400 100 I HN 0.585 nan 8.210 nan 0.000 0.549 101 T N 2.730 117.104 114.554 -0.299 0.000 2.237 101 T HA -0.067 4.283 4.350 0.001 0.000 0.187 101 T C 0.052 174.542 174.700 -0.350 0.000 1.119 101 T CA 1.136 63.106 62.100 -0.216 0.000 2.157 101 T CB -0.978 67.880 68.868 -0.017 0.000 0.989 101 T HN 0.886 nan 8.240 nan 0.000 0.409 102 T N 1.341 115.593 114.554 -0.504 0.000 2.598 102 T HA 0.626 4.976 4.350 0.001 0.000 0.289 102 T C -0.125 173.976 174.700 -0.997 0.000 1.056 102 T CA -0.193 61.304 62.100 -1.005 0.000 1.088 102 T CB 1.059 69.556 68.868 -0.618 0.000 1.519 102 T HN 0.593 nan 8.240 nan 0.000 0.488 103 S N 0.686 115.831 115.700 -0.926 0.000 2.632 103 S HA 0.306 4.776 4.470 0.001 0.000 0.267 103 S C 0.518 175.012 174.600 -0.176 0.000 1.276 103 S CA -0.231 57.772 58.200 -0.328 0.000 0.998 103 S CB 0.562 63.705 63.200 -0.094 0.000 0.953 103 S HN 0.664 nan 8.310 nan 0.000 0.547 104 D N 1.158 121.519 120.400 -0.065 0.000 2.123 104 D HA -0.078 4.563 4.640 0.001 0.000 0.196 104 D C 1.785 178.014 176.300 -0.119 0.000 0.992 104 D CA 1.702 55.656 54.000 -0.077 0.000 0.833 104 D CB -0.337 40.434 40.800 -0.048 0.000 0.954 104 D HN 0.715 nan 8.370 nan 0.000 0.455 105 E N 0.456 120.598 120.200 -0.097 0.000 2.023 105 E HA -0.118 4.232 4.350 0.001 0.000 0.196 105 E C 2.225 178.762 176.600 -0.105 0.000 1.003 105 E CA 0.402 56.744 56.400 -0.096 0.000 0.809 105 E CB -0.471 29.192 29.700 -0.061 0.000 0.755 105 E HN 0.228 nan 8.360 nan 0.000 0.449 106 L N -0.133 121.011 121.223 -0.131 0.000 2.083 106 L HA -0.192 4.148 4.340 0.001 0.000 0.209 106 L C 2.282 179.070 176.870 -0.137 0.000 1.083 106 L CA 1.128 55.876 54.840 -0.153 0.000 0.752 106 L CB -0.178 41.753 42.059 -0.214 0.000 0.899 106 L HN 0.298 nan 8.230 nan 0.000 0.433 107 M N -0.737 118.787 119.600 -0.128 0.000 2.086 107 M HA -0.260 4.221 4.480 0.001 0.000 0.261 107 M C 2.189 178.505 176.300 0.026 0.000 1.067 107 M CA 1.856 57.115 55.300 -0.068 0.000 1.116 107 M CB -0.263 32.295 32.600 -0.070 0.000 1.348 107 M HN 0.081 nan 8.290 nan 0.000 0.407 108 K N -0.128 120.271 120.400 -0.000 0.000 2.097 108 K HA -0.222 4.099 4.320 0.001 0.000 0.206 108 K C 2.035 178.699 176.600 0.107 0.000 1.049 108 K CA 1.330 57.671 56.287 0.090 0.000 0.933 108 K CB -0.284 32.105 32.500 -0.186 0.000 0.717 108 K HN 0.432 nan 8.250 nan 0.000 0.442 109 Q N 0.498 120.309 119.800 0.018 0.000 2.119 109 Q HA -0.125 4.215 4.340 0.001 0.000 0.201 109 Q C 2.082 178.107 176.000 0.041 0.000 0.972 109 Q CA 1.640 57.453 55.803 0.017 0.000 0.847 109 Q CB -0.169 28.546 28.738 -0.039 0.000 0.903 109 Q HN 0.389 nan 8.270 nan 0.000 0.433 110 G N 0.036 108.847 108.800 0.018 0.000 2.418 110 G HA2 -0.220 3.740 3.960 0.001 0.000 0.217 110 G HA3 -0.220 3.740 3.960 0.001 0.000 0.217 110 G C 1.405 176.407 174.900 0.170 0.000 1.158 110 G CA 0.959 46.110 45.100 0.085 0.000 0.771 110 G HN 0.293 nan 8.290 nan 0.000 0.545 111 V N 0.673 120.676 119.914 0.149 0.000 2.343 111 V HA -0.176 3.944 4.120 0.001 0.000 0.247 111 V C 2.954 179.120 176.094 0.119 0.000 1.051 111 V CA 2.025 64.406 62.300 0.135 0.000 1.036 111 V CB -0.444 31.485 31.823 0.177 0.000 0.654 111 V HN 0.332 nan 8.190 nan 0.000 0.451 112 R N -0.493 120.087 120.500 0.133 0.000 2.075 112 R HA -0.094 4.246 4.340 0.001 0.000 0.232 112 R C 2.245 178.615 176.300 0.117 0.000 1.126 112 R CA 1.346 57.513 56.100 0.111 0.000 0.963 112 R CB -0.589 29.773 30.300 0.103 0.000 0.858 112 R HN 0.396 nan 8.270 nan 0.000 0.435 113 V N 1.275 121.275 119.914 0.143 0.000 2.407 113 V HA -0.255 3.865 4.120 0.001 0.000 0.248 113 V C 2.273 178.486 176.094 0.198 0.000 1.055 113 V CA 1.610 64.020 62.300 0.185 0.000 1.049 113 V CB -0.339 31.631 31.823 0.244 0.000 0.662 113 V HN 0.256 nan 8.190 nan 0.000 0.455 114 M N 0.162 119.863 119.600 0.168 0.000 2.099 114 M HA -0.136 4.345 4.480 0.001 0.000 0.262 114 M C 2.258 178.631 176.300 0.122 0.000 1.067 114 M CA 1.895 57.253 55.300 0.096 0.000 1.124 114 M CB -0.613 32.012 32.600 0.042 0.000 1.353 114 M HN 0.156 nan 8.290 nan 0.000 0.410 115 R N -0.346 120.210 120.500 0.093 0.000 2.091 115 R HA -0.229 4.112 4.340 0.001 0.000 0.238 115 R C 2.197 178.548 176.300 0.085 0.000 1.136 115 R CA 2.130 58.272 56.100 0.070 0.000 0.959 115 R CB -0.430 29.898 30.300 0.047 0.000 0.856 115 R HN 0.651 nan 8.270 nan 0.000 0.437 116 E N -0.796 119.468 120.200 0.107 0.000 2.106 116 E HA -0.247 4.104 4.350 0.001 0.000 0.192 116 E C 1.731 178.404 176.600 0.123 0.000 0.984 116 E CA 1.194 57.653 56.400 0.098 0.000 0.806 116 E CB -0.237 29.527 29.700 0.107 0.000 0.750 116 E HN 0.491 nan 8.360 nan 0.000 0.458 117 Y N 0.408 120.743 120.300 0.058 0.000 2.200 117 Y HA -0.149 4.401 4.550 0.001 0.000 0.290 117 Y C 1.764 177.709 175.900 0.076 0.000 1.137 117 Y CA 1.010 59.167 58.100 0.096 0.000 1.163 117 Y CB -0.139 38.352 38.460 0.053 0.000 0.988 117 Y HN 0.079 nan 8.280 nan 0.000 0.518 118 L N 0.611 121.963 121.223 0.216 0.000 2.083 118 L HA -0.143 4.197 4.340 0.001 0.000 0.209 118 L C 2.591 179.445 176.870 -0.026 0.000 1.083 118 L CA 1.950 56.851 54.840 0.102 0.000 0.752 118 L CB -1.645 40.470 42.059 0.093 0.000 0.899 118 L HN 0.380 nan 8.230 nan 0.000 0.433 119 A N -1.627 121.174 122.820 -0.033 0.000 2.168 119 A HA -0.154 4.166 4.320 0.001 0.000 0.215 119 A C 2.389 179.892 177.584 -0.135 0.000 1.152 119 A CA 1.361 53.359 52.037 -0.064 0.000 0.716 119 A CB -0.312 18.665 19.000 -0.038 0.000 0.794 119 A HN 0.414 nan 8.150 nan 0.000 0.465 120 K N -1.321 118.945 120.400 -0.223 0.000 2.329 120 K HA 0.062 4.383 4.320 0.001 0.000 0.198 120 K C -0.361 175.840 176.600 -0.666 0.000 1.085 120 K CA 0.173 56.209 56.287 -0.417 0.000 0.961 120 K CB 0.271 32.509 32.500 -0.437 0.000 0.971 120 K HN 0.519 nan 8.250 nan 0.000 0.502 121 H N 2.261 121.072 119.070 -0.431 0.000 2.866 121 H HA 0.284 4.840 4.556 0.001 0.000 0.287 121 H C -2.565 172.631 175.328 -0.220 0.000 1.106 121 H CA -2.036 53.768 56.048 -0.408 0.000 1.396 121 H CB 1.550 30.847 29.762 -0.775 0.000 1.469 121 H HN 0.223 nan 8.280 nan 0.000 0.500 122 P HA 0.030 nan 4.420 nan 0.000 0.278 122 P C 0.066 177.387 177.300 0.035 0.000 1.238 122 P CA -0.355 62.745 63.100 -0.001 0.000 0.794 122 P CB 1.119 32.806 31.700 -0.021 0.000 0.955 123 N N 0.181 118.902 118.700 0.035 0.000 2.735 123 N HA -0.179 4.562 4.740 0.001 0.000 0.248 123 N C 0.373 175.917 175.510 0.057 0.000 1.083 123 N CA 0.966 54.036 53.050 0.034 0.000 0.703 123 N CB -1.282 37.218 38.487 0.023 0.000 1.005 123 N HN 0.626 nan 8.380 nan 0.000 0.550 124 Q N -0.219 119.636 119.800 0.091 0.000 2.784 124 Q HA 0.547 4.887 4.340 0.001 0.000 0.207 124 Q C 0.030 176.038 176.000 0.013 0.000 1.021 124 Q CA -0.016 55.858 55.803 0.118 0.000 0.417 124 Q CB 0.120 28.982 28.738 0.207 0.000 4.567 124 Q HN 0.279 nan 8.270 nan 0.000 0.306 125 A N 1.701 124.494 122.820 -0.045 0.000 2.473 125 A HA 0.171 4.491 4.320 0.001 0.000 0.282 125 A C 0.721 178.119 177.584 -0.309 0.000 1.163 125 A CA 0.161 51.804 52.037 -0.655 0.000 0.827 125 A CB -0.469 17.809 19.000 -1.204 0.000 1.098 125 A HN 0.517 nan 8.150 nan 0.000 0.515 126 L N 2.620 123.663 121.223 -0.300 0.000 2.156 126 L HA 0.193 4.533 4.340 0.001 0.000 0.208 126 L C 1.389 178.169 176.870 -0.150 0.000 1.095 126 L CA 1.063 55.807 54.840 -0.160 0.000 0.770 126 L CB -0.417 41.563 42.059 -0.132 0.000 0.914 126 L HN 0.869 nan 8.230 nan 0.000 0.439 127 G N -1.252 107.417 108.800 -0.219 0.000 2.316 127 G HA2 0.255 4.216 3.960 0.001 0.000 0.296 127 G HA3 0.255 4.216 3.960 0.001 0.000 0.296 127 G C -1.517 173.281 174.900 -0.169 0.000 1.399 127 G CA -0.938 44.067 45.100 -0.158 0.000 0.833 127 G HN -0.153 nan 8.290 nan 0.000 0.565 128 L N 0.772 121.939 121.223 -0.094 0.000 2.417 128 L HA 0.411 4.751 4.340 0.001 0.000 0.268 128 L C -0.052 176.836 176.870 0.031 0.000 1.158 128 L CA -0.726 54.095 54.840 -0.032 0.000 0.819 128 L CB 1.078 43.154 42.059 0.029 0.000 1.112 128 L HN 0.691 nan 8.230 nan 0.000 0.458 129 H N 4.397 123.433 119.070 -0.057 0.000 2.792 129 H HA 0.370 4.926 4.556 0.001 0.000 0.298 129 H C -1.086 174.234 175.328 -0.014 0.000 1.042 129 H CA -0.752 55.266 56.048 -0.051 0.000 1.300 129 H CB 0.504 30.236 29.762 -0.050 0.000 1.431 129 H HN 0.379 nan 8.280 nan 0.000 0.496 130 L N 4.495 125.843 121.223 0.208 0.000 2.268 130 L HA 0.247 4.587 4.340 0.001 0.000 0.289 130 L C 0.700 177.569 176.870 -0.001 0.000 1.064 130 L CA -0.130 54.719 54.840 0.015 0.000 0.824 130 L CB 0.658 42.684 42.059 -0.056 0.000 1.202 130 L HN 0.550 nan 8.230 nan 0.000 0.433 131 E N 3.943 124.065 120.200 -0.129 0.000 1.993 131 E HA 0.495 4.846 4.350 0.001 0.000 0.271 131 E C 0.136 176.726 176.600 -0.017 0.000 1.008 131 E CA -0.066 56.307 56.400 -0.046 0.000 0.814 131 E CB 0.726 30.375 29.700 -0.086 0.000 1.098 131 E HN 0.797 nan 8.360 nan 0.000 0.407 132 G N 4.466 113.220 108.800 -0.075 0.000 2.384 132 G HA2 -0.147 3.813 3.960 0.001 0.000 0.668 132 G HA3 -0.147 3.813 3.960 0.001 0.000 0.668 132 G C -2.595 172.050 174.900 -0.426 0.000 1.280 132 G CA -0.479 44.541 45.100 -0.133 0.000 0.992 132 G HN 0.396 nan 8.290 nan 0.000 0.512 133 P HA 0.216 nan 4.420 nan 0.000 0.268 133 P C -0.056 177.260 177.300 0.027 0.000 1.329 133 P CA 0.124 63.125 63.100 -0.164 0.000 0.899 133 P CB 0.141 31.792 31.700 -0.081 0.000 1.378 134 W N 1.805 123.144 121.300 0.065 0.000 1.395 134 W HA 0.325 4.988 4.660 0.006 0.000 0.451 134 W C 0.305 176.856 176.519 0.053 0.000 0.619 134 W CA -0.494 56.885 57.345 0.056 0.000 2.212 134 W CB -1.225 28.267 29.460 0.053 0.000 1.537 134 W HN -0.079 nan 8.180 nan 0.000 0.275 135 L N 1.137 122.481 121.223 0.202 0.000 2.341 135 L HA 0.499 4.840 4.340 0.001 0.000 0.267 135 L C 0.582 177.517 176.870 0.108 0.000 1.022 135 L CA -1.100 53.819 54.840 0.133 0.000 0.844 135 L CB 0.756 42.847 42.059 0.053 0.000 1.436 135 L HN -0.138 nan 8.230 nan 0.000 0.483 136 N N 0.409 119.160 118.700 0.085 0.000 2.419 136 N HA 0.283 5.024 4.740 0.001 0.000 0.277 136 N C 0.569 176.107 175.510 0.046 0.000 1.006 136 N CA -0.213 52.872 53.050 0.058 0.000 0.923 136 N CB 1.725 40.236 38.487 0.041 0.000 1.140 136 N HN 0.586 nan 8.380 nan 0.000 0.488 137 L N 2.927 124.173 121.223 0.039 0.000 2.127 137 L HA -0.179 4.162 4.340 0.001 0.000 0.211 137 L C 2.028 178.910 176.870 0.021 0.000 1.089 137 L CA 0.882 55.740 54.840 0.030 0.000 0.757 137 L CB -0.140 41.934 42.059 0.025 0.000 0.899 137 L HN 0.414 nan 8.230 nan 0.000 0.434 138 V N -0.879 119.043 119.914 0.013 0.000 2.469 138 V HA -0.219 3.901 4.120 0.001 0.000 0.251 138 V C 1.445 177.538 176.094 -0.002 0.000 1.064 138 V CA 1.516 63.814 62.300 -0.002 0.000 1.066 138 V CB -0.405 31.407 31.823 -0.018 0.000 0.667 138 V HN 0.348 nan 8.190 nan 0.000 0.461 139 K N 0.412 120.822 120.400 0.017 0.000 3.045 139 K HA 0.192 4.512 4.320 0.001 0.000 0.211 139 K C 1.233 177.903 176.600 0.116 0.000 1.141 139 K CA -0.109 56.197 56.287 0.031 0.000 1.036 139 K CB 0.536 33.040 32.500 0.007 0.000 0.851 139 K HN 0.615 nan 8.250 nan 0.000 0.462 140 K N -0.346 120.098 120.400 0.075 0.000 2.366 140 K HA -0.002 4.318 4.320 0.001 0.000 0.198 140 K C 1.095 177.731 176.600 0.061 0.000 1.044 140 K CA 0.894 57.197 56.287 0.027 0.000 0.973 140 K CB -0.042 32.469 32.500 0.019 0.000 0.767 140 K HN 0.153 nan 8.250 nan 0.000 0.475 141 G N 1.044 109.911 108.800 0.111 0.000 2.622 141 G HA2 -0.429 3.531 3.960 0.001 0.000 0.307 141 G HA3 -0.429 3.531 3.960 0.001 0.000 0.307 141 G C 0.787 175.742 174.900 0.092 0.000 1.226 141 G CA 0.928 46.099 45.100 0.119 0.000 0.997 141 G HN 0.282 nan 8.290 nan 0.000 0.551 142 T N 1.345 115.974 114.554 0.125 0.000 3.129 142 T HA 0.186 4.537 4.350 0.001 0.000 0.251 142 T C 1.087 175.786 174.700 -0.002 0.000 1.117 142 T CA 0.937 63.057 62.100 0.033 0.000 1.034 142 T CB -0.449 68.402 68.868 -0.028 0.000 0.968 142 T HN 0.500 nan 8.240 nan 0.000 0.526 143 H N 2.458 121.434 119.070 -0.157 0.000 2.871 143 H HA 0.038 4.594 4.556 0.001 0.000 0.355 143 H C 0.566 175.837 175.328 -0.095 0.000 1.092 143 H CA -0.431 55.508 56.048 -0.181 0.000 1.420 143 H CB 0.392 30.039 29.762 -0.191 0.000 1.400 143 H HN 0.155 nan 8.280 nan 0.000 0.604 144 N N 4.617 123.331 118.700 0.024 0.000 2.427 144 N HA -0.037 4.704 4.740 0.001 0.000 0.269 144 N C -1.541 174.020 175.510 0.084 0.000 1.235 144 N CA -1.470 51.614 53.050 0.057 0.000 0.934 144 N CB 0.906 39.476 38.487 0.138 0.000 1.121 144 N HN 0.456 nan 8.380 nan 0.000 0.480 145 P HA -0.130 nan 4.420 nan 0.000 0.218 145 P C 0.533 177.831 177.300 -0.003 0.000 1.148 145 P CA 1.044 64.160 63.100 0.027 0.000 0.822 145 P CB 0.395 32.098 31.700 0.006 0.000 0.784 146 N N -0.848 117.805 118.700 -0.077 0.000 2.364 146 N HA -0.096 4.644 4.740 0.001 0.000 0.183 146 N C 1.272 176.625 175.510 -0.262 0.000 1.022 146 N CA 0.989 53.915 53.050 -0.206 0.000 0.883 146 N CB -0.520 37.762 38.487 -0.342 0.000 0.965 146 N HN 0.246 nan 8.380 nan 0.000 0.438 147 F N 0.452 120.399 119.950 -0.006 0.000 2.717 147 F HA 0.179 4.706 4.527 0.000 0.000 0.295 147 F C 0.833 176.645 175.800 0.019 0.000 1.117 147 F CA -0.302 57.696 58.000 -0.003 0.000 1.361 147 F CB -0.017 38.964 39.000 -0.031 0.000 1.112 147 F HN -0.323 nan 8.300 nan 0.000 0.594 148 V N 3.897 123.925 119.914 0.189 0.000 2.493 148 V HA 0.117 4.238 4.120 0.001 0.000 0.292 148 V C 0.228 176.412 176.094 0.149 0.000 1.016 148 V CA 0.247 62.638 62.300 0.150 0.000 1.097 148 V CB -0.463 31.423 31.823 0.105 0.000 0.947 148 V HN 0.310 nan 8.190 nan 0.000 0.479 149 R N 4.051 124.671 120.500 0.200 0.000 2.795 149 R HA 0.630 4.971 4.340 0.001 0.000 0.268 149 R C -0.938 175.523 176.300 0.270 0.000 1.041 149 R CA -1.316 54.904 56.100 0.199 0.000 0.927 149 R CB 1.656 32.074 30.300 0.197 0.000 1.235 149 R HN 0.526 nan 8.270 nan 0.000 0.463 150 K N 0.778 121.275 120.400 0.163 0.000 2.168 150 K HA 0.340 4.661 4.320 0.001 0.000 0.258 150 K C -2.179 174.412 176.600 -0.015 0.000 1.010 150 K CA -1.545 54.782 56.287 0.067 0.000 0.929 150 K CB 0.676 33.177 32.500 0.001 0.000 0.998 150 K HN 0.376 nan 8.250 nan 0.000 0.479 151 P HA 0.082 nan 4.420 nan 0.000 0.281 151 P C -1.112 175.971 177.300 -0.363 0.000 1.286 151 P CA -0.096 62.459 63.100 -0.909 0.000 0.772 151 P CB 0.636 31.397 31.700 -1.566 0.000 0.862 152 D N 3.124 123.460 120.400 -0.106 0.000 2.312 152 D HA 0.146 4.787 4.640 0.001 0.000 0.252 152 D C 1.521 177.797 176.300 -0.039 0.000 1.150 152 D CA -0.249 53.733 54.000 -0.030 0.000 0.870 152 D CB 1.631 42.465 40.800 0.058 0.000 1.153 152 D HN 0.291 nan 8.370 nan 0.000 0.457 153 A N 2.933 125.723 122.820 -0.050 0.000 1.997 153 A HA -0.231 4.089 4.320 0.001 0.000 0.221 153 A C 2.043 179.645 177.584 0.029 0.000 1.172 153 A CA 2.275 54.294 52.037 -0.030 0.000 0.645 153 A CB -0.359 18.627 19.000 -0.023 0.000 0.813 153 A HN 0.647 nan 8.150 nan 0.000 0.454 154 A N -0.575 122.275 122.820 0.050 0.000 1.855 154 A HA -0.002 4.318 4.320 0.001 0.000 0.215 154 A C 2.208 179.881 177.584 0.149 0.000 1.191 154 A CA 1.366 53.453 52.037 0.084 0.000 0.613 154 A CB -0.643 18.392 19.000 0.058 0.000 0.829 154 A HN 0.524 nan 8.150 nan 0.000 0.442 155 L N 0.076 121.399 121.223 0.166 0.000 2.042 155 L HA -0.181 4.159 4.340 0.001 0.000 0.210 155 L C 2.505 179.597 176.870 0.369 0.000 1.076 155 L CA 1.734 56.733 54.840 0.265 0.000 0.749 155 L CB -0.332 41.928 42.059 0.335 0.000 0.893 155 L HN 0.283 nan 8.230 nan 0.000 0.432 156 V N 0.061 120.152 119.914 0.295 0.000 2.255 156 V HA -0.337 3.784 4.120 0.001 0.000 0.247 156 V C 2.178 178.396 176.094 0.207 0.000 1.051 156 V CA 2.191 64.647 62.300 0.260 0.000 1.018 156 V CB -0.687 31.149 31.823 0.021 0.000 0.641 156 V HN 0.485 nan 8.190 nan 0.000 0.445 157 D N -0.662 119.833 120.400 0.158 0.000 2.149 157 D HA -0.178 4.462 4.640 0.001 0.000 0.198 157 D C 1.855 178.251 176.300 0.160 0.000 0.990 157 D CA 1.241 55.318 54.000 0.128 0.000 0.839 157 D CB -0.335 40.529 40.800 0.105 0.000 0.948 157 D HN 0.457 nan 8.370 nan 0.000 0.460 158 F N 1.461 121.457 119.950 0.076 0.000 2.075 158 F HA -0.147 4.380 4.527 -0.000 0.000 0.297 158 F C 2.145 177.986 175.800 0.069 0.000 1.113 158 F CA 1.199 59.239 58.000 0.066 0.000 1.218 158 F CB -0.387 38.654 39.000 0.069 0.000 0.984 158 F HN -0.116 nan 8.300 nan 0.000 0.472 159 L N -0.678 120.639 121.223 0.157 0.000 2.042 159 L HA -0.327 4.014 4.340 0.001 0.000 0.210 159 L C 2.636 179.486 176.870 -0.033 0.000 1.076 159 L CA 1.457 56.325 54.840 0.047 0.000 0.749 159 L CB -1.360 40.810 42.059 0.185 0.000 0.893 159 L HN 0.304 nan 8.230 nan 0.000 0.432 160 C N -0.255 119.054 119.300 0.016 0.000 2.432 160 C HA -0.114 4.347 4.460 0.001 0.000 0.277 160 C C 2.680 177.634 174.990 -0.060 0.000 1.249 160 C CA 0.378 59.394 59.018 -0.003 0.000 1.725 160 C CB -0.734 27.022 27.740 0.026 0.000 2.028 160 C HN 0.493 nan 8.230 nan 0.000 0.477 161 E N 0.882 121.021 120.200 -0.102 0.000 2.265 161 E HA -0.076 4.274 4.350 0.001 0.000 0.196 161 E C 0.916 177.399 176.600 -0.195 0.000 0.996 161 E CA 0.821 57.140 56.400 -0.134 0.000 0.832 161 E CB -0.441 29.175 29.700 -0.140 0.000 0.756 161 E HN 0.673 nan 8.360 nan 0.000 0.491 162 N N -0.077 118.457 118.700 -0.277 0.000 2.328 162 N HA 0.170 4.911 4.740 0.001 0.000 0.247 162 N C 0.864 176.290 175.510 -0.141 0.000 1.165 162 N CA 0.182 53.079 53.050 -0.254 0.000 0.873 162 N CB 1.008 39.241 38.487 -0.423 0.000 1.125 162 N HN 0.006 nan 8.380 nan 0.000 0.513 163 A N 1.317 124.078 122.820 -0.097 0.000 2.024 163 A HA -0.187 4.134 4.320 0.001 0.000 0.220 163 A C 1.876 179.429 177.584 -0.052 0.000 1.164 163 A CA 1.410 53.413 52.037 -0.057 0.000 0.643 163 A CB -0.200 18.777 19.000 -0.037 0.000 0.806 163 A HN 0.376 nan 8.150 nan 0.000 0.451 164 D N 0.146 120.513 120.400 -0.055 0.000 2.309 164 D HA -0.119 4.521 4.640 0.001 0.000 0.212 164 D C 1.282 177.558 176.300 -0.040 0.000 0.968 164 D CA 1.762 55.736 54.000 -0.043 0.000 0.882 164 D CB -0.523 40.254 40.800 -0.039 0.000 0.918 164 D HN 0.667 nan 8.370 nan 0.000 0.503 165 V N -2.690 117.198 119.914 -0.044 0.000 3.346 165 V HA 0.385 4.505 4.120 0.001 0.000 0.309 165 V C 0.507 176.578 176.094 -0.038 0.000 1.457 165 V CA -0.676 61.604 62.300 -0.033 0.000 1.069 165 V CB -0.343 31.471 31.823 -0.016 0.000 0.944 165 V HN -0.027 nan 8.190 nan 0.000 0.449 166 I N 1.445 121.990 120.570 -0.043 0.000 2.405 166 I HA 0.337 4.508 4.170 0.001 0.000 0.280 166 I C 1.235 177.320 176.117 -0.053 0.000 1.027 166 I CA -0.143 61.135 61.300 -0.036 0.000 1.161 166 I CB 1.741 39.728 38.000 -0.022 0.000 1.300 166 I HN -0.002 nan 8.210 nan 0.000 0.463 167 T N 3.877 118.386 114.554 -0.075 0.000 2.896 167 T HA -0.020 4.331 4.350 0.001 0.000 0.263 167 T C 0.715 175.329 174.700 -0.142 0.000 1.050 167 T CA 1.070 63.103 62.100 -0.112 0.000 1.140 167 T CB 0.117 68.897 68.868 -0.146 0.000 0.877 167 T HN 0.470 nan 8.240 nan 0.000 0.457 168 K N 0.976 121.293 120.400 -0.138 0.000 2.546 168 K HA 0.495 4.816 4.320 0.001 0.000 0.264 168 K C -1.989 174.585 176.600 -0.043 0.000 0.937 168 K CA -0.747 55.430 56.287 -0.183 0.000 0.833 168 K CB 2.343 34.557 32.500 -0.476 0.000 1.378 168 K HN 0.006 nan 8.250 nan 0.000 0.432 169 V N -0.309 119.601 119.914 -0.007 0.000 2.483 169 V HA 0.540 4.660 4.120 0.001 0.000 0.297 169 V C -0.659 175.499 176.094 0.107 0.000 1.027 169 V CA -0.523 61.818 62.300 0.069 0.000 0.855 169 V CB 1.377 33.240 31.823 0.067 0.000 0.995 169 V HN 0.698 nan 8.190 nan 0.000 0.424 170 T N 7.554 122.214 114.554 0.177 0.000 2.767 170 T HA 0.814 5.164 4.350 0.001 0.000 0.288 170 T C -0.457 174.339 174.700 0.160 0.000 0.963 170 T CA -0.196 62.024 62.100 0.201 0.000 1.019 170 T CB 0.958 70.008 68.868 0.303 0.000 0.923 170 T HN 1.076 nan 8.240 nan 0.000 0.468 171 L N 0.655 121.991 121.223 0.188 0.000 2.479 171 L HA 0.975 5.315 4.340 0.001 0.000 0.255 171 L C -0.611 176.369 176.870 0.183 0.000 1.026 171 L CA -1.672 53.299 54.840 0.219 0.000 0.842 171 L CB 0.998 43.266 42.059 0.348 0.000 1.444 171 L HN 0.523 nan 8.230 nan 0.000 0.409 172 A N 1.537 124.462 122.820 0.176 0.000 2.310 172 A HA 0.679 5.000 4.320 0.001 0.000 0.300 172 A C -1.565 176.072 177.584 0.089 0.000 1.269 172 A CA -1.202 50.904 52.037 0.116 0.000 0.909 172 A CB -0.233 18.830 19.000 0.105 0.000 1.144 172 A HN 0.756 nan 8.150 nan 0.000 0.540 173 P HA -0.231 nan 4.420 nan 0.000 0.217 173 P C 0.888 178.183 177.300 -0.009 0.000 1.148 173 P CA 1.474 64.579 63.100 0.009 0.000 0.828 173 P CB 0.262 31.928 31.700 -0.056 0.000 0.783 174 E N -0.823 119.371 120.200 -0.010 0.000 2.481 174 E HA -0.038 4.312 4.350 0.001 0.000 0.195 174 E C 1.250 177.850 176.600 0.000 0.000 1.047 174 E CA 0.582 56.973 56.400 -0.015 0.000 0.867 174 E CB -0.466 29.221 29.700 -0.021 0.000 0.858 174 E HN 0.229 nan 8.360 nan 0.000 0.513 175 M N 0.986 120.600 119.600 0.023 0.000 2.356 175 M HA 0.275 4.756 4.480 0.001 0.000 0.262 175 M C -0.133 176.172 176.300 0.008 0.000 1.097 175 M CA -0.184 55.135 55.300 0.031 0.000 0.991 175 M CB 0.940 33.585 32.600 0.075 0.000 1.450 175 M HN -0.169 nan 8.290 nan 0.000 0.495 176 V N 0.489 120.398 119.914 -0.009 0.000 2.841 176 V HA 0.457 4.577 4.120 0.001 0.000 0.310 176 V C -2.415 173.642 176.094 -0.062 0.000 1.090 176 V CA -1.657 60.606 62.300 -0.061 0.000 0.930 176 V CB 2.381 34.179 31.823 -0.041 0.000 1.014 176 V HN 0.058 nan 8.190 nan 0.000 0.425 177 P HA 0.198 nan 4.420 nan 0.000 0.268 177 P C 0.703 177.973 177.300 -0.050 0.000 1.205 177 P CA 0.080 63.140 63.100 -0.066 0.000 0.771 177 P CB 0.862 32.514 31.700 -0.081 0.000 0.858 178 A N 2.993 125.794 122.820 -0.031 0.000 1.986 178 A HA -0.245 4.075 4.320 0.001 0.000 0.220 178 A C 1.847 179.425 177.584 -0.011 0.000 1.171 178 A CA 1.712 53.740 52.037 -0.014 0.000 0.640 178 A CB -0.897 18.098 19.000 -0.009 0.000 0.811 178 A HN 0.520 nan 8.150 nan 0.000 0.451 179 E N -0.356 119.830 120.200 -0.023 0.000 2.110 179 E HA -0.096 4.255 4.350 0.001 0.000 0.193 179 E C 1.977 178.562 176.600 -0.025 0.000 0.988 179 E CA 1.096 57.484 56.400 -0.020 0.000 0.804 179 E CB -0.589 29.094 29.700 -0.028 0.000 0.745 179 E HN 0.376 nan 8.360 nan 0.000 0.458 180 V N 0.769 120.650 119.914 -0.055 0.000 2.343 180 V HA -0.238 3.883 4.120 0.001 0.000 0.247 180 V C 2.168 178.265 176.094 0.006 0.000 1.051 180 V CA 1.508 63.764 62.300 -0.073 0.000 1.036 180 V CB -0.410 31.295 31.823 -0.196 0.000 0.654 180 V HN 0.249 nan 8.190 nan 0.000 0.451 181 I N -0.070 120.514 120.570 0.024 0.000 2.179 181 I HA -0.232 3.938 4.170 0.001 0.000 0.242 181 I C 2.597 178.750 176.117 0.060 0.000 1.088 181 I CA 1.736 63.077 61.300 0.067 0.000 1.357 181 I CB -0.451 37.588 38.000 0.065 0.000 1.051 181 I HN 0.258 nan 8.210 nan 0.000 0.409 182 S N 0.615 116.339 115.700 0.039 0.000 2.368 182 S HA -0.188 4.283 4.470 0.001 0.000 0.225 182 S C 1.909 176.529 174.600 0.034 0.000 1.030 182 S CA 1.295 59.517 58.200 0.036 0.000 0.999 182 S CB -0.209 63.005 63.200 0.024 0.000 0.844 182 S HN 0.369 nan 8.310 nan 0.000 0.459 183 K N 1.066 121.483 120.400 0.029 0.000 2.009 183 K HA -0.056 4.265 4.320 0.001 0.000 0.210 183 K C 2.086 178.712 176.600 0.044 0.000 1.049 183 K CA 1.247 57.553 56.287 0.030 0.000 0.929 183 K CB -0.527 31.988 32.500 0.025 0.000 0.714 183 K HN 0.274 nan 8.250 nan 0.000 0.440 184 L N 0.681 121.944 121.223 0.066 0.000 2.042 184 L HA -0.230 4.110 4.340 0.001 0.000 0.210 184 L C 2.675 179.579 176.870 0.057 0.000 1.076 184 L CA 1.306 56.193 54.840 0.079 0.000 0.749 184 L CB -0.679 41.457 42.059 0.128 0.000 0.893 184 L HN 0.260 nan 8.230 nan 0.000 0.432 185 A N 0.409 123.264 122.820 0.058 0.000 1.877 185 A HA -0.231 4.089 4.320 0.001 0.000 0.216 185 A C 1.980 179.584 177.584 0.033 0.000 1.186 185 A CA 2.112 54.177 52.037 0.048 0.000 0.620 185 A CB -0.889 18.146 19.000 0.058 0.000 0.822 185 A HN 0.555 nan 8.150 nan 0.000 0.443 186 N N 0.030 118.749 118.700 0.031 0.000 2.453 186 N HA 0.001 4.742 4.740 0.001 0.000 0.183 186 N C 1.458 176.977 175.510 0.015 0.000 1.041 186 N CA 0.620 53.683 53.050 0.022 0.000 0.900 186 N CB -0.148 38.352 38.487 0.021 0.000 0.961 186 N HN 0.518 nan 8.380 nan 0.000 0.443 187 A N 0.265 123.096 122.820 0.017 0.000 2.251 187 A HA 0.348 4.668 4.320 0.001 0.000 0.209 187 A C 1.678 179.262 177.584 0.000 0.000 1.187 187 A CA 0.756 52.798 52.037 0.008 0.000 0.823 187 A CB -0.096 18.911 19.000 0.012 0.000 0.846 187 A HN 0.325 nan 8.150 nan 0.000 0.486 188 G N -0.984 107.818 108.800 0.003 0.000 2.194 188 G HA2 -0.190 3.770 3.960 0.001 0.000 0.236 188 G HA3 -0.190 3.770 3.960 0.001 0.000 0.236 188 G C 0.142 175.034 174.900 -0.014 0.000 0.987 188 G CA 0.053 45.149 45.100 -0.007 0.000 0.635 188 G HN 0.431 nan 8.290 nan 0.000 0.520 189 I N 1.819 122.387 120.570 -0.004 0.000 2.441 189 I HA 0.310 4.481 4.170 0.001 0.000 0.287 189 I C 0.960 177.072 176.117 -0.009 0.000 1.049 189 I CA -0.750 60.543 61.300 -0.011 0.000 1.381 189 I CB 1.474 39.482 38.000 0.013 0.000 1.409 189 I HN -0.132 nan 8.210 nan 0.000 0.523 190 V N 7.727 127.611 119.914 -0.050 0.000 2.470 190 V HA 0.049 4.170 4.120 0.001 0.000 0.276 190 V C 0.297 176.379 176.094 -0.020 0.000 1.040 190 V CA -0.293 61.976 62.300 -0.052 0.000 1.008 190 V CB 1.066 32.797 31.823 -0.153 0.000 0.990 190 V HN 0.388 nan 8.190 nan 0.000 0.477 191 V N 4.970 124.916 119.914 0.054 0.000 2.364 191 V HA 0.419 4.540 4.120 0.001 0.000 0.272 191 V C 0.322 176.507 176.094 0.151 0.000 1.036 191 V CA -0.034 62.327 62.300 0.102 0.000 0.880 191 V CB 1.407 33.308 31.823 0.130 0.000 0.991 191 V HN 0.856 nan 8.190 nan 0.000 0.460 192 S N 3.833 119.623 115.700 0.149 0.000 2.501 192 S HA 0.806 5.276 4.470 0.001 0.000 0.301 192 S C -0.049 174.677 174.600 0.210 0.000 1.096 192 S CA -0.299 58.040 58.200 0.231 0.000 1.063 192 S CB 1.519 64.859 63.200 0.235 0.000 1.042 192 S HN 1.097 nan 8.310 nan 0.000 0.494 193 A N 2.912 125.864 122.820 0.221 0.000 2.320 193 A HA 0.777 5.097 4.320 0.001 0.000 0.287 193 A C 0.509 178.170 177.584 0.128 0.000 1.181 193 A CA -0.002 52.132 52.037 0.161 0.000 0.831 193 A CB -0.047 19.042 19.000 0.149 0.000 1.102 193 A HN 1.258 nan 8.150 nan 0.000 0.513 194 G N 0.514 109.386 108.800 0.119 0.000 2.673 194 G HA2 0.503 4.463 3.960 0.001 0.000 0.292 194 G HA3 0.503 4.463 3.960 0.001 0.000 0.292 194 G C -0.553 174.445 174.900 0.163 0.000 1.450 194 G CA -0.603 44.553 45.100 0.093 0.000 0.837 194 G HN 0.993 nan 8.290 nan 0.000 0.505 195 H N -1.324 117.792 119.070 0.076 0.000 2.506 195 H HA -0.157 4.399 4.556 0.000 0.000 0.323 195 H C 0.349 175.684 175.328 0.012 0.000 1.076 195 H CA 1.538 57.598 56.048 0.020 0.000 1.108 195 H CB -0.998 28.711 29.762 -0.089 0.000 1.569 195 H HN 0.695 nan 8.280 nan 0.000 0.399 196 S N 0.059 115.794 115.700 0.058 0.000 2.570 196 S HA 0.332 4.803 4.470 0.001 0.000 0.286 196 S C 0.489 175.085 174.600 -0.007 0.000 1.099 196 S CA -0.753 57.468 58.200 0.035 0.000 0.913 196 S CB 2.003 65.221 63.200 0.030 0.000 1.085 196 S HN 0.599 nan 8.310 nan 0.000 0.480 197 N N 1.933 120.623 118.700 -0.017 0.000 2.338 197 N HA 0.280 5.021 4.740 0.001 0.000 0.251 197 N C 0.123 175.606 175.510 -0.044 0.000 1.199 197 N CA -0.378 52.644 53.050 -0.046 0.000 0.879 197 N CB 0.354 38.813 38.487 -0.046 0.000 1.159 197 N HN 0.729 nan 8.380 nan 0.000 0.514 198 A N 0.956 123.752 122.820 -0.039 0.000 2.498 198 A HA 0.203 4.524 4.320 0.001 0.000 0.239 198 A C 0.902 178.456 177.584 -0.050 0.000 1.068 198 A CA 0.013 52.020 52.037 -0.050 0.000 0.766 198 A CB 0.146 19.102 19.000 -0.072 0.000 1.003 198 A HN 0.429 nan 8.150 nan 0.000 0.497 199 T N 0.668 115.195 114.554 -0.046 0.000 2.816 199 T HA 0.326 4.677 4.350 0.001 0.000 0.282 199 T C 1.274 175.947 174.700 -0.045 0.000 0.993 199 T CA 0.000 62.081 62.100 -0.032 0.000 0.994 199 T CB 0.527 69.381 68.868 -0.022 0.000 1.025 199 T HN 0.734 nan 8.240 nan 0.000 0.529 200 L N 0.261 121.470 121.223 -0.024 0.000 2.042 200 L HA -0.057 4.284 4.340 0.001 0.000 0.210 200 L C 2.837 179.677 176.870 -0.051 0.000 1.076 200 L CA 1.726 56.551 54.840 -0.025 0.000 0.749 200 L CB -0.462 41.601 42.059 0.007 0.000 0.893 200 L HN 0.873 nan 8.230 nan 0.000 0.432 201 K N -0.115 120.261 120.400 -0.039 0.000 2.026 201 K HA -0.238 4.082 4.320 0.001 0.000 0.208 201 K C 1.949 178.502 176.600 -0.078 0.000 1.048 201 K CA 2.074 58.335 56.287 -0.043 0.000 0.929 201 K CB -0.114 32.370 32.500 -0.026 0.000 0.713 201 K HN 0.449 nan 8.250 nan 0.000 0.439 202 E N -0.315 119.835 120.200 -0.084 0.000 2.153 202 E HA -0.169 4.181 4.350 0.001 0.000 0.194 202 E C 1.841 178.326 176.600 -0.192 0.000 0.988 202 E CA 0.888 57.225 56.400 -0.105 0.000 0.811 202 E CB -0.028 29.626 29.700 -0.078 0.000 0.746 202 E HN 0.428 nan 8.360 nan 0.000 0.466 203 A N 1.544 124.211 122.820 -0.257 0.000 1.873 203 A HA -0.191 4.130 4.320 0.001 0.000 0.215 203 A C 1.926 179.002 177.584 -0.846 0.000 1.186 203 A CA 1.321 53.041 52.037 -0.529 0.000 0.616 203 A CB -0.217 18.528 19.000 -0.426 0.000 0.823 203 A HN 0.023 nan 8.150 nan 0.000 0.442 204 K N -0.108 120.030 120.400 -0.436 0.000 2.103 204 K HA -0.075 4.245 4.320 0.001 0.000 0.207 204 K C 2.229 178.745 176.600 -0.139 0.000 1.048 204 K CA 1.113 57.282 56.287 -0.196 0.000 0.930 204 K CB -0.330 32.171 32.500 0.001 0.000 0.716 204 K HN 0.446 nan 8.250 nan 0.000 0.444 205 A N 1.150 123.883 122.820 -0.145 0.000 1.902 205 A HA -0.106 4.214 4.320 0.001 0.000 0.217 205 A C 2.411 179.944 177.584 -0.085 0.000 1.181 205 A CA 1.939 53.928 52.037 -0.079 0.000 0.623 205 A CB -1.170 17.788 19.000 -0.070 0.000 0.818 205 A HN 0.434 nan 8.150 nan 0.000 0.443 206 G N -1.041 107.644 108.800 -0.192 0.000 2.418 206 G HA2 -0.122 3.838 3.960 0.001 0.000 0.217 206 G HA3 -0.122 3.838 3.960 0.001 0.000 0.217 206 G C 1.286 176.189 174.900 0.004 0.000 1.158 206 G CA 1.103 46.120 45.100 -0.137 0.000 0.771 206 G HN 0.394 nan 8.290 nan 0.000 0.545 207 F N 1.201 121.165 119.950 0.024 0.000 2.134 207 F HA 0.079 4.605 4.527 -0.000 0.000 0.299 207 F C 2.823 178.637 175.800 0.023 0.000 1.097 207 F CA 0.753 58.768 58.000 0.024 0.000 1.264 207 F CB -0.692 38.316 39.000 0.012 0.000 1.001 207 F HN 0.042 nan 8.300 nan 0.000 0.479 208 R N 0.057 120.672 120.500 0.191 0.000 2.120 208 R HA -0.042 4.299 4.340 0.001 0.000 0.234 208 R C 2.273 178.623 176.300 0.083 0.000 1.123 208 R CA 1.100 57.267 56.100 0.113 0.000 0.975 208 R CB -0.706 29.636 30.300 0.071 0.000 0.866 208 R HN 0.263 nan 8.270 nan 0.000 0.446 209 A N -0.158 122.707 122.820 0.074 0.000 2.066 209 A HA 0.104 4.424 4.320 0.001 0.000 0.218 209 A C 1.592 179.220 177.584 0.073 0.000 1.157 209 A CA 1.461 53.532 52.037 0.057 0.000 0.670 209 A CB 0.119 19.142 19.000 0.037 0.000 0.804 209 A HN 0.485 nan 8.150 nan 0.000 0.453 210 G N -1.792 107.072 108.800 0.107 0.000 3.272 210 G HA2 -0.004 3.956 3.960 0.001 0.000 0.219 210 G HA3 -0.004 3.956 3.960 0.001 0.000 0.219 210 G C 0.098 175.083 174.900 0.142 0.000 0.952 210 G CA -0.187 44.978 45.100 0.107 0.000 0.833 210 G HN 0.244 nan 8.290 nan 0.000 0.608 211 I N 2.741 123.431 120.570 0.200 0.000 2.618 211 I HA 0.279 4.449 4.170 0.001 0.000 0.284 211 I C 1.643 177.908 176.117 0.247 0.000 1.146 211 I CA 1.466 62.921 61.300 0.259 0.000 1.425 211 I CB 1.333 39.545 38.000 0.353 0.000 1.383 211 I HN 0.254 nan 8.210 nan 0.000 0.562 212 T N 2.390 117.064 114.554 0.201 0.000 3.144 212 T HA 0.295 4.646 4.350 0.001 0.000 0.290 212 T C -0.224 174.610 174.700 0.224 0.000 0.966 212 T CA -0.264 61.925 62.100 0.148 0.000 0.907 212 T CB 0.026 68.986 68.868 0.152 0.000 1.152 212 T HN 0.326 nan 8.240 nan 0.000 0.532 213 F N 1.058 121.049 119.950 0.069 0.000 2.643 213 F HA 0.761 5.287 4.527 -0.000 0.000 0.314 213 F C -1.632 174.217 175.800 0.082 0.000 1.096 213 F CA -0.963 57.075 58.000 0.063 0.000 0.953 213 F CB 1.830 40.841 39.000 0.018 0.000 1.345 213 F HN 0.174 nan 8.300 nan 0.000 0.468 214 A N 1.753 124.532 122.820 -0.068 0.000 2.427 214 A HA 0.629 4.950 4.320 0.001 0.000 0.298 214 A C -1.260 176.376 177.584 0.086 0.000 1.036 214 A CA -0.579 51.491 52.037 0.055 0.000 0.701 214 A CB 1.155 20.135 19.000 -0.035 0.000 1.250 214 A HN 0.600 nan 8.150 nan 0.000 0.412 215 T N 2.967 117.591 114.554 0.118 0.000 2.794 215 T HA 0.460 4.810 4.350 0.001 0.000 0.296 215 T C -0.029 174.529 174.700 -0.236 0.000 0.949 215 T CA 0.632 62.714 62.100 -0.030 0.000 1.101 215 T CB -0.102 68.673 68.868 -0.154 0.000 0.905 215 T HN 1.390 nan 8.240 nan 0.000 0.516 216 H N 0.189 119.356 119.070 0.162 0.000 2.099 216 H HA -0.171 4.386 4.556 0.001 0.000 0.310 216 H C -0.169 175.194 175.328 0.057 0.000 0.858 216 H CA -0.451 55.657 56.048 0.101 0.000 1.024 216 H CB -2.199 27.622 29.762 0.098 0.000 1.578 216 H HN 0.428 nan 8.280 nan 0.000 0.302 217 L N 2.862 124.170 121.223 0.141 0.000 2.653 217 L HA -0.019 4.322 4.340 0.001 0.000 0.288 217 L C 0.848 177.771 176.870 0.090 0.000 1.243 217 L CA 1.464 56.288 54.840 -0.027 0.000 0.906 217 L CB -0.590 41.356 42.059 -0.189 0.000 1.154 217 L HN 0.823 nan 8.230 nan 0.000 0.498 218 Y N 0.191 120.540 120.300 0.081 0.000 2.845 218 Y HA -0.377 4.174 4.550 0.002 0.000 0.477 218 Y C 0.937 176.854 175.900 0.029 0.000 1.293 218 Y CA 1.342 59.473 58.100 0.052 0.000 2.510 218 Y CB -1.390 37.097 38.460 0.045 0.000 0.938 218 Y HN 0.727 nan 8.280 nan 0.000 0.515 219 N N 1.547 120.357 118.700 0.183 0.000 2.497 219 N HA 0.431 5.171 4.740 0.001 0.000 0.268 219 N C 0.559 176.020 175.510 -0.081 0.000 1.171 219 N CA 0.699 53.735 53.050 -0.024 0.000 0.948 219 N CB 0.958 39.296 38.487 -0.248 0.000 1.069 219 N HN 0.557 nan 8.380 nan 0.000 0.460 220 A N 1.553 124.292 122.820 -0.135 0.000 2.869 220 A HA -0.243 4.078 4.320 0.001 0.000 0.280 220 A C -0.166 177.365 177.584 -0.088 0.000 1.458 220 A CA 1.092 53.017 52.037 -0.186 0.000 0.776 220 A CB -1.933 16.697 19.000 -0.617 0.000 1.028 220 A HN 0.657 nan 8.150 nan 0.000 0.547 221 M N -1.758 117.821 119.600 -0.034 0.000 2.631 221 M HA 0.532 5.013 4.480 0.001 0.000 0.288 221 M C -2.780 173.487 176.300 -0.054 0.000 1.260 221 M CA -2.299 52.987 55.300 -0.022 0.000 0.842 221 M CB 1.856 34.463 32.600 0.012 0.000 1.743 221 M HN 0.009 nan 8.290 nan 0.000 0.461 222 P HA 0.114 nan 4.420 nan 0.000 0.272 222 P C -1.326 175.926 177.300 -0.079 0.000 1.223 222 P CA -0.123 62.854 63.100 -0.204 0.000 0.784 222 P CB 0.128 31.732 31.700 -0.161 0.000 0.923 223 Y N 0.162 120.492 120.300 0.050 0.000 2.220 223 Y HA 0.415 4.965 4.550 0.001 0.000 0.347 223 Y C 0.353 176.291 175.900 0.064 0.000 1.311 223 Y CA -1.309 56.830 58.100 0.066 0.000 1.593 223 Y CB -0.694 37.789 38.460 0.039 0.000 1.419 223 Y HN 0.127 nan 8.280 nan 0.000 0.614 224 I N 1.644 122.427 120.570 0.355 0.000 2.339 224 I HA 0.325 4.496 4.170 0.001 0.000 0.290 224 I C 0.038 176.244 176.117 0.148 0.000 0.994 224 I CA -0.528 60.907 61.300 0.224 0.000 1.191 224 I CB 1.417 39.519 38.000 0.170 0.000 1.343 224 I HN 0.855 nan 8.210 nan 0.000 0.458 225 T N 1.281 115.917 114.554 0.137 0.000 2.942 225 T HA 0.430 4.780 4.350 0.001 0.000 0.289 225 T C 1.202 175.929 174.700 0.046 0.000 1.044 225 T CA -0.276 61.857 62.100 0.055 0.000 1.023 225 T CB 1.812 70.717 68.868 0.061 0.000 1.123 225 T HN 0.639 nan 8.240 nan 0.000 0.512 226 G N 0.468 109.280 108.800 0.020 0.000 2.440 226 G HA2 -0.167 3.793 3.960 0.001 0.000 0.218 226 G HA3 -0.167 3.793 3.960 0.001 0.000 0.218 226 G C 1.494 176.410 174.900 0.026 0.000 1.154 226 G CA 0.335 45.447 45.100 0.020 0.000 0.767 226 G HN 0.769 nan 8.290 nan 0.000 0.552 227 R N -0.569 119.948 120.500 0.028 0.000 2.312 227 R HA 0.187 4.527 4.340 0.001 0.000 0.205 227 R C -0.010 176.312 176.300 0.036 0.000 0.904 227 R CA 0.136 56.253 56.100 0.028 0.000 1.052 227 R CB 0.546 30.860 30.300 0.023 0.000 1.014 227 R HN 0.191 nan 8.270 nan 0.000 0.503 228 E N 0.323 120.554 120.200 0.052 0.000 2.518 228 E HA 0.215 4.565 4.350 0.001 0.000 0.240 228 E C -2.296 174.347 176.600 0.072 0.000 0.996 228 E CA -2.627 53.807 56.400 0.057 0.000 0.768 228 E CB 1.369 31.110 29.700 0.068 0.000 1.329 228 E HN -0.183 nan 8.360 nan 0.000 0.408 229 P HA 0.030 nan 4.420 nan 0.000 0.219 229 P C 0.363 177.700 177.300 0.062 0.000 1.146 229 P CA 1.338 64.475 63.100 0.062 0.000 0.808 229 P CB 0.147 31.874 31.700 0.046 0.000 0.779 230 G N -0.821 108.004 108.800 0.041 0.000 2.804 230 G HA2 -0.286 3.674 3.960 0.001 0.000 0.230 230 G HA3 -0.286 3.674 3.960 0.001 0.000 0.230 230 G C 0.412 175.316 174.900 0.006 0.000 1.386 230 G CA -0.191 44.919 45.100 0.017 0.000 0.875 230 G HN 0.332 nan 8.290 nan 0.000 0.557 231 L N 0.372 121.587 121.223 -0.013 0.000 2.013 231 L HA 0.113 4.454 4.340 0.001 0.000 0.212 231 L C 3.221 180.097 176.870 0.010 0.000 1.073 231 L CA 3.536 58.369 54.840 -0.011 0.000 0.753 231 L CB -1.209 40.838 42.059 -0.021 0.000 0.890 231 L HN 1.648 nan 8.230 nan 0.000 0.432 232 A N -0.529 122.281 122.820 -0.017 0.000 1.908 232 A HA -0.118 4.203 4.320 0.001 0.000 0.218 232 A C 2.362 179.914 177.584 -0.054 0.000 1.181 232 A CA 1.789 53.773 52.037 -0.088 0.000 0.627 232 A CB -1.652 17.285 19.000 -0.104 0.000 0.818 232 A HN 0.564 nan 8.150 nan 0.000 0.445 233 G N -0.714 108.092 108.800 0.010 0.000 2.418 233 G HA2 0.022 3.982 3.960 0.001 0.000 0.217 233 G HA3 0.022 3.982 3.960 0.001 0.000 0.217 233 G C 1.744 176.666 174.900 0.037 0.000 1.158 233 G CA 1.430 46.546 45.100 0.028 0.000 0.771 233 G HN 0.826 nan 8.290 nan 0.000 0.545 234 A N 0.684 123.544 122.820 0.067 0.000 1.933 234 A HA 0.056 4.377 4.320 0.001 0.000 0.218 234 A C 2.390 180.086 177.584 0.186 0.000 1.175 234 A CA 1.242 53.364 52.037 0.140 0.000 0.628 234 A CB -0.336 18.756 19.000 0.154 0.000 0.814 234 A HN 0.383 nan 8.150 nan 0.000 0.444 235 I N -0.424 120.234 120.570 0.147 0.000 2.226 235 I HA -0.255 3.915 4.170 0.001 0.000 0.245 235 I C 2.255 178.322 176.117 -0.084 0.000 1.100 235 I CA 1.129 62.447 61.300 0.029 0.000 1.374 235 I CB -0.286 37.705 38.000 -0.015 0.000 1.057 235 I HN 0.276 nan 8.210 nan 0.000 0.413 236 L N 0.093 121.275 121.223 -0.068 0.000 2.201 236 L HA -0.206 4.135 4.340 0.001 0.000 0.212 236 L C 1.983 178.819 176.870 -0.057 0.000 1.105 236 L CA 1.181 55.976 54.840 -0.074 0.000 0.775 236 L CB -0.494 41.536 42.059 -0.048 0.000 0.913 236 L HN 0.255 nan 8.230 nan 0.000 0.440 237 D N -0.305 120.079 120.400 -0.028 0.000 2.323 237 D HA -0.112 4.528 4.640 0.001 0.000 0.209 237 D C 0.766 177.040 176.300 -0.043 0.000 0.973 237 D CA 0.277 54.265 54.000 -0.019 0.000 0.874 237 D CB 0.297 41.106 40.800 0.014 0.000 0.930 237 D HN 0.023 nan 8.370 nan 0.000 0.521 238 E N -0.402 119.750 120.200 -0.080 0.000 2.055 238 E HA 0.459 4.809 4.350 0.001 0.000 0.274 238 E C 0.604 177.077 176.600 -0.212 0.000 0.949 238 E CA -0.324 55.987 56.400 -0.147 0.000 0.775 238 E CB 0.900 30.453 29.700 -0.244 0.000 1.097 238 E HN 0.072 nan 8.360 nan 0.000 0.404 239 A N 4.475 127.192 122.820 -0.172 0.000 2.019 239 A HA -0.155 4.165 4.320 0.001 0.000 0.219 239 A C 1.258 178.684 177.584 -0.263 0.000 1.164 239 A CA 1.558 53.476 52.037 -0.199 0.000 0.644 239 A CB -0.200 18.712 19.000 -0.147 0.000 0.805 239 A HN 0.614 nan 8.150 nan 0.000 0.449 240 D N -0.205 120.047 120.400 -0.247 0.000 2.317 240 D HA 0.022 4.663 4.640 0.001 0.000 0.211 240 D C 0.451 176.569 176.300 -0.304 0.000 0.966 240 D CA 0.342 54.195 54.000 -0.245 0.000 0.876 240 D CB -0.088 40.616 40.800 -0.160 0.000 0.927 240 D HN 0.273 nan 8.370 nan 0.000 0.519 241 I N 1.677 122.012 120.570 -0.392 0.000 2.396 241 I HA 0.037 4.208 4.170 0.001 0.000 0.289 241 I C 0.321 176.209 176.117 -0.382 0.000 1.056 241 I CA -0.582 60.476 61.300 -0.402 0.000 1.365 241 I CB -0.652 36.969 38.000 -0.631 0.000 1.407 241 I HN -0.138 nan 8.210 nan 0.000 0.509 242 Y N 5.265 125.374 120.300 -0.319 0.000 2.307 242 Y HA 0.436 4.986 4.550 -0.000 0.000 0.324 242 Y C 0.724 176.106 175.900 -0.863 0.000 1.238 242 Y CA 0.006 57.850 58.100 -0.427 0.000 1.280 242 Y CB 1.443 39.775 38.460 -0.213 0.000 1.248 242 Y HN 0.762 nan 8.280 nan 0.000 0.508 243 C N -0.130 118.749 119.300 -0.701 0.000 3.239 243 C HA 0.873 5.333 4.460 0.001 0.000 0.329 243 C C 0.002 174.741 174.990 -0.418 0.000 1.252 243 C CA -0.940 57.578 59.018 -0.834 0.000 1.323 243 C CB 0.901 28.395 27.740 -0.410 0.000 1.663 243 C HN 1.094 nan 8.230 nan 0.000 0.487 244 G N 0.384 109.075 108.800 -0.181 0.000 2.437 244 G HA2 0.708 4.669 3.960 0.001 0.000 0.319 244 G HA3 0.708 4.669 3.960 0.001 0.000 0.319 244 G C -1.439 173.520 174.900 0.098 0.000 1.158 244 G CA -0.486 44.682 45.100 0.113 0.000 0.899 244 G HN 1.283 nan 8.290 nan 0.000 0.502 245 I N 0.317 120.961 120.570 0.122 0.000 2.571 245 I HA 0.413 4.584 4.170 0.001 0.000 0.289 245 I C -0.697 175.487 176.117 0.112 0.000 1.115 245 I CA -0.976 60.403 61.300 0.131 0.000 1.045 245 I CB 1.897 39.972 38.000 0.125 0.000 1.238 245 I HN 0.400 nan 8.210 nan 0.000 0.424 246 I N 7.780 128.408 120.570 0.096 0.000 2.308 246 I HA 0.359 4.529 4.170 0.001 0.000 0.293 246 I C 0.625 176.768 176.117 0.044 0.000 1.078 246 I CA -0.183 61.127 61.300 0.015 0.000 1.292 246 I CB 1.158 39.066 38.000 -0.153 0.000 1.423 246 I HN 0.757 nan 8.210 nan 0.000 0.493 247 A N 5.063 127.917 122.820 0.056 0.000 3.260 247 A HA 0.184 4.504 4.320 0.001 0.000 0.268 247 A C 0.701 178.356 177.584 0.118 0.000 1.491 247 A CA -0.485 51.619 52.037 0.111 0.000 1.181 247 A CB -0.635 18.434 19.000 0.115 0.000 1.137 247 A HN 0.779 nan 8.150 nan 0.000 0.642 248 D N -1.262 119.178 120.400 0.067 0.000 2.379 248 D HA 0.202 4.842 4.640 0.001 0.000 0.208 248 D C 1.194 177.488 176.300 -0.010 0.000 1.065 248 D CA 0.657 54.699 54.000 0.070 0.000 0.848 248 D CB -0.228 40.629 40.800 0.094 0.000 0.949 248 D HN 0.739 nan 8.370 nan 0.000 0.509 249 G N 0.200 108.859 108.800 -0.236 0.000 2.184 249 G HA2 -0.298 3.662 3.960 0.001 0.000 0.264 249 G HA3 -0.298 3.662 3.960 0.001 0.000 0.264 249 G C 0.702 175.385 174.900 -0.362 0.000 0.975 249 G CA 0.737 45.413 45.100 -0.708 0.000 0.642 249 G HN 0.325 nan 8.290 nan 0.000 0.536 250 L N -1.190 119.947 121.223 -0.143 0.000 2.433 250 L HA 0.383 4.723 4.340 0.001 0.000 0.200 250 L C 2.205 179.016 176.870 -0.098 0.000 1.059 250 L CA 1.911 56.694 54.840 -0.094 0.000 0.835 250 L CB -1.201 40.852 42.059 -0.010 0.000 1.076 250 L HN 0.281 nan 8.230 nan 0.000 0.481 251 H N -1.313 117.700 119.070 -0.096 0.000 2.436 251 H HA 0.231 4.788 4.556 0.001 0.000 0.294 251 H C -0.181 175.091 175.328 -0.093 0.000 1.048 251 H CA 0.500 56.505 56.048 -0.071 0.000 1.353 251 H CB 0.407 30.150 29.762 -0.032 0.000 1.414 251 H HN -0.062 nan 8.280 nan 0.000 0.536 252 V N 0.790 120.696 119.914 -0.014 0.000 2.733 252 V HA 0.053 4.173 4.120 0.001 0.000 0.306 252 V C -0.455 175.503 176.094 -0.227 0.000 1.084 252 V CA -1.390 60.846 62.300 -0.107 0.000 0.905 252 V CB 2.448 34.265 31.823 -0.011 0.000 1.010 252 V HN 0.246 nan 8.190 nan 0.000 0.424 253 D N 2.346 122.599 120.400 -0.245 0.000 2.488 253 D HA -0.016 4.624 4.640 0.001 0.000 0.238 253 D C 0.418 176.624 176.300 -0.158 0.000 1.138 253 D CA 0.223 54.078 54.000 -0.242 0.000 0.873 253 D CB 0.882 41.578 40.800 -0.173 0.000 1.183 253 D HN 0.535 nan 8.370 nan 0.000 0.458 254 Y N 2.417 122.683 120.300 -0.057 0.000 2.315 254 Y HA -0.193 4.358 4.550 0.001 0.000 0.288 254 Y C 2.373 178.265 175.900 -0.014 0.000 1.154 254 Y CA 1.132 59.219 58.100 -0.022 0.000 1.229 254 Y CB -0.718 37.736 38.460 -0.009 0.000 0.980 254 Y HN 0.563 nan 8.280 nan 0.000 0.540 255 A N 0.116 123.004 122.820 0.112 0.000 1.930 255 A HA -0.179 4.142 4.320 0.001 0.000 0.217 255 A C 2.132 179.737 177.584 0.034 0.000 1.175 255 A CA 1.695 53.768 52.037 0.061 0.000 0.627 255 A CB -0.528 18.486 19.000 0.024 0.000 0.815 255 A HN 0.395 nan 8.150 nan 0.000 0.443 256 N N 0.047 118.725 118.700 -0.037 0.000 2.270 256 N HA -0.019 4.722 4.740 0.001 0.000 0.181 256 N C 1.590 177.162 175.510 0.104 0.000 1.016 256 N CA 1.094 54.094 53.050 -0.083 0.000 0.870 256 N CB -0.313 37.857 38.487 -0.529 0.000 0.979 256 N HN 0.559 nan 8.380 nan 0.000 0.431 257 I N 0.895 121.534 120.570 0.116 0.000 2.315 257 I HA -0.179 3.991 4.170 0.001 0.000 0.248 257 I C 2.246 178.450 176.117 0.146 0.000 1.117 257 I CA 0.819 62.228 61.300 0.181 0.000 1.404 257 I CB -0.084 38.043 38.000 0.211 0.000 1.071 257 I HN 0.067 nan 8.210 nan 0.000 0.419 258 R N 0.639 121.211 120.500 0.120 0.000 2.075 258 R HA -0.120 4.220 4.340 0.001 0.000 0.232 258 R C 2.069 178.417 176.300 0.079 0.000 1.126 258 R CA 1.293 57.445 56.100 0.086 0.000 0.963 258 R CB -0.372 29.970 30.300 0.070 0.000 0.858 258 R HN 0.396 nan 8.270 nan 0.000 0.435 259 N N 0.885 119.639 118.700 0.091 0.000 2.188 259 N HA -0.113 4.628 4.740 0.001 0.000 0.184 259 N C 1.649 177.214 175.510 0.092 0.000 1.018 259 N CA 1.449 54.551 53.050 0.086 0.000 0.858 259 N CB -0.304 38.243 38.487 0.100 0.000 0.989 259 N HN 0.204 nan 8.380 nan 0.000 0.426 260 A N 0.924 123.825 122.820 0.134 0.000 1.930 260 A HA -0.134 4.186 4.320 0.001 0.000 0.217 260 A C 2.212 179.821 177.584 0.042 0.000 1.175 260 A CA 1.585 53.680 52.037 0.096 0.000 0.627 260 A CB -0.358 18.733 19.000 0.152 0.000 0.815 260 A HN 0.175 nan 8.150 nan 0.000 0.443 261 K N 0.234 120.668 120.400 0.058 0.000 2.057 261 K HA -0.053 4.268 4.320 0.001 0.000 0.206 261 K C 2.069 178.680 176.600 0.018 0.000 1.050 261 K CA 1.492 57.802 56.287 0.038 0.000 0.935 261 K CB -0.277 32.258 32.500 0.058 0.000 0.715 261 K HN 0.483 nan 8.250 nan 0.000 0.439 262 R N -0.180 120.335 120.500 0.025 0.000 2.115 262 R HA -0.014 4.326 4.340 0.001 0.000 0.230 262 R C 2.192 178.489 176.300 -0.005 0.000 1.111 262 R CA 1.326 57.435 56.100 0.015 0.000 0.976 262 R CB -0.255 30.059 30.300 0.023 0.000 0.870 262 R HN 0.200 nan 8.270 nan 0.000 0.445 263 L N 0.206 121.425 121.223 -0.008 0.000 2.249 263 L HA -0.018 4.323 4.340 0.001 0.000 0.207 263 L C 1.896 178.724 176.870 -0.070 0.000 1.090 263 L CA 0.744 55.566 54.840 -0.030 0.000 0.802 263 L CB 0.004 42.052 42.059 -0.018 0.000 0.947 263 L HN -0.017 nan 8.230 nan 0.000 0.453 264 K N 0.062 120.413 120.400 -0.082 0.000 2.356 264 K HA 0.203 4.523 4.320 0.001 0.000 0.195 264 K C 1.306 177.801 176.600 -0.175 0.000 1.037 264 K CA 0.755 56.955 56.287 -0.145 0.000 1.014 264 K CB 0.072 32.483 32.500 -0.149 0.000 0.815 264 K HN 0.266 nan 8.250 nan 0.000 0.507 265 G N 3.028 111.759 108.800 -0.115 0.000 2.629 265 G HA2 -0.391 3.570 3.960 0.001 0.000 0.313 265 G HA3 -0.391 3.570 3.960 0.001 0.000 0.313 265 G C 0.303 175.082 174.900 -0.201 0.000 1.217 265 G CA 0.907 45.937 45.100 -0.117 0.000 0.994 265 G HN 0.422 nan 8.290 nan 0.000 0.549 266 D N 0.676 120.866 120.400 -0.349 0.000 2.325 266 D HA 0.195 4.835 4.640 0.001 0.000 0.234 266 D C 1.474 177.185 176.300 -0.982 0.000 1.122 266 D CA 0.641 54.138 54.000 -0.839 0.000 0.850 266 D CB 0.261 40.669 40.800 -0.654 0.000 0.921 266 D HN 0.365 nan 8.370 nan 0.000 0.513 267 K N -0.194 119.843 120.400 -0.605 0.000 2.358 267 K HA 0.165 4.486 4.320 0.001 0.000 0.197 267 K C 0.159 176.605 176.600 -0.257 0.000 1.025 267 K CA -0.455 55.454 56.287 -0.631 0.000 1.104 267 K CB 0.711 32.783 32.500 -0.713 0.000 0.855 267 K HN 0.187 nan 8.250 nan 0.000 0.531 268 L N 1.766 122.902 121.223 -0.146 0.000 2.260 268 L HA 0.184 4.524 4.340 0.001 0.000 0.289 268 L C -0.794 176.171 176.870 0.160 0.000 1.057 268 L CA -0.226 54.611 54.840 -0.004 0.000 0.811 268 L CB 0.391 42.455 42.059 0.009 0.000 1.184 268 L HN 0.041 nan 8.230 nan 0.000 0.429 269 C N 5.301 124.697 119.300 0.159 0.000 2.355 269 C HA 0.421 4.882 4.460 0.001 0.000 0.332 269 C C 0.189 175.273 174.990 0.158 0.000 1.255 269 C CA -1.412 57.742 59.018 0.226 0.000 1.792 269 C CB 1.018 28.937 27.740 0.298 0.000 2.300 269 C HN 0.712 nan 8.230 nan 0.000 0.515 270 L N 4.877 126.171 121.223 0.119 0.000 2.331 270 L HA 0.668 5.009 4.340 0.001 0.000 0.278 270 L C -0.179 176.736 176.870 0.076 0.000 1.106 270 L CA 0.339 55.217 54.840 0.064 0.000 0.824 270 L CB 0.803 42.850 42.059 -0.019 0.000 1.142 270 L HN 0.779 nan 8.230 nan 0.000 0.443 271 V N 1.576 121.540 119.914 0.082 0.000 3.102 271 V HA 0.593 4.713 4.120 0.001 0.000 0.312 271 V C 0.475 176.599 176.094 0.049 0.000 1.135 271 V CA 0.102 62.458 62.300 0.092 0.000 1.022 271 V CB 1.530 33.446 31.823 0.154 0.000 1.056 271 V HN 0.826 nan 8.190 nan 0.000 0.436 272 T N -2.236 112.344 114.554 0.042 0.000 3.056 272 T HA 0.139 4.490 4.350 0.001 0.000 0.241 272 T C 1.082 175.782 174.700 0.000 0.000 1.006 272 T CA 1.016 63.120 62.100 0.006 0.000 1.115 272 T CB -0.527 68.337 68.868 -0.007 0.000 0.939 272 T HN 1.521 nan 8.240 nan 0.000 0.462 273 N N 1.578 120.309 118.700 0.052 0.000 2.725 273 N HA -0.152 4.588 4.740 0.001 0.000 0.249 273 N C 0.004 175.547 175.510 0.054 0.000 1.103 273 N CA 0.607 53.710 53.050 0.089 0.000 0.707 273 N CB -1.585 36.963 38.487 0.102 0.000 1.043 273 N HN 0.983 nan 8.380 nan 0.000 0.553 274 A N -0.754 122.072 122.820 0.009 0.000 2.310 274 A HA 0.630 4.950 4.320 0.001 0.000 0.260 274 A C 0.995 178.532 177.584 -0.078 0.000 1.112 274 A CA 0.686 52.707 52.037 -0.026 0.000 0.804 274 A CB 0.309 19.270 19.000 -0.064 0.000 1.081 274 A HN 0.854 nan 8.150 nan 0.000 0.499 275 T N -4.192 110.266 114.554 -0.160 0.000 2.804 275 T HA 0.607 4.958 4.350 0.001 0.000 0.290 275 T C 1.128 175.531 174.700 -0.494 0.000 1.099 275 T CA 0.061 61.944 62.100 -0.362 0.000 1.011 275 T CB 0.928 69.568 68.868 -0.380 0.000 1.291 275 T HN 1.718 nan 8.240 nan 0.000 0.523 276 A N 0.561 122.949 122.820 -0.720 0.000 1.969 276 A HA -0.082 4.238 4.320 0.001 0.000 0.223 276 A C -0.357 176.941 177.584 -0.477 0.000 1.218 276 A CA 2.409 54.083 52.037 -0.605 0.000 0.667 276 A CB -2.349 16.234 19.000 -0.695 0.000 0.826 276 A HN 0.752 nan 8.150 nan 0.000 0.472 277 P HA 0.011 nan 4.420 nan 0.000 0.219 277 P C 0.612 177.760 177.300 -0.254 0.000 1.146 277 P CA 1.311 64.211 63.100 -0.333 0.000 0.808 277 P CB -0.202 31.345 31.700 -0.255 0.000 0.779 278 A N -0.002 122.688 122.820 -0.218 0.000 2.520 278 A HA 0.428 4.749 4.320 0.001 0.000 0.245 278 A C 1.516 179.011 177.584 -0.148 0.000 1.072 278 A CA 0.475 52.420 52.037 -0.153 0.000 0.761 278 A CB -1.218 17.705 19.000 -0.128 0.000 1.004 278 A HN 0.360 nan 8.150 nan 0.000 0.499 279 G N 0.429 109.161 108.800 -0.114 0.000 2.203 279 G HA2 0.185 4.145 3.960 0.001 0.000 0.263 279 G HA3 0.185 4.145 3.960 0.001 0.000 0.263 279 G C 0.398 175.235 174.900 -0.105 0.000 1.012 279 G CA 1.068 46.110 45.100 -0.097 0.000 0.749 279 G HN 2.358 nan 8.290 nan 0.000 0.512 280 A N -1.113 121.631 122.820 -0.127 0.000 2.533 280 A HA 0.839 5.160 4.320 0.001 0.000 0.293 280 A C -0.412 177.091 177.584 -0.136 0.000 1.228 280 A CA 0.108 52.072 52.037 -0.122 0.000 0.689 280 A CB 1.130 20.047 19.000 -0.138 0.000 1.303 280 A HN 1.112 nan 8.150 nan 0.000 0.444 281 N N 0.071 118.702 118.700 -0.115 0.000 2.750 281 N HA 0.474 5.214 4.740 0.001 0.000 0.253 281 N C -1.019 174.438 175.510 -0.089 0.000 1.408 281 N CA -0.269 52.712 53.050 -0.115 0.000 0.780 281 N CB 0.164 38.607 38.487 -0.073 0.000 1.191 281 N HN 0.762 nan 8.380 nan 0.000 0.511 282 I N -2.067 118.436 120.570 -0.111 0.000 2.846 282 I HA 0.608 4.778 4.170 0.001 0.000 0.307 282 I C 0.270 176.402 176.117 0.025 0.000 1.053 282 I CA -0.796 60.486 61.300 -0.031 0.000 1.050 282 I CB 2.382 40.375 38.000 -0.012 0.000 1.239 282 I HN 0.076 nan 8.210 nan 0.000 0.439 283 E N 1.536 121.800 120.200 0.107 0.000 2.364 283 E HA 0.093 4.443 4.350 0.001 0.000 0.196 283 E C -0.424 176.330 176.600 0.256 0.000 0.990 283 E CA 0.174 56.694 56.400 0.199 0.000 0.886 283 E CB 0.469 30.272 29.700 0.170 0.000 0.866 283 E HN 0.727 nan 8.360 nan 0.000 0.493 284 Q N -0.143 119.785 119.800 0.212 0.000 2.633 284 Q HA 0.507 4.847 4.340 0.001 0.000 0.289 284 Q C -1.224 174.929 176.000 0.255 0.000 0.940 284 Q CA -1.098 54.798 55.803 0.156 0.000 0.785 284 Q CB 1.278 29.966 28.738 -0.083 0.000 1.467 284 Q HN 0.025 nan 8.270 nan 0.000 0.401 285 F N -1.847 118.052 119.950 -0.085 0.000 2.773 285 F HA 0.703 5.230 4.527 0.000 0.000 0.314 285 F C -1.917 173.850 175.800 -0.055 0.000 1.160 285 F CA -1.413 56.549 58.000 -0.063 0.000 0.920 285 F CB 0.822 39.788 39.000 -0.057 0.000 1.323 285 F HN 0.511 nan 8.300 nan 0.000 0.457 286 I N 2.414 122.998 120.570 0.024 0.000 2.385 286 I HA 0.525 4.695 4.170 0.001 0.000 0.294 286 I C -1.363 174.840 176.117 0.144 0.000 0.988 286 I CA -0.598 60.682 61.300 -0.033 0.000 1.265 286 I CB 1.574 39.584 38.000 0.018 0.000 1.388 286 I HN 0.520 nan 8.210 nan 0.000 0.480 287 F N 5.265 125.132 119.950 -0.138 0.000 2.623 287 F HA 0.515 5.042 4.527 0.001 0.000 0.323 287 F C 0.251 176.012 175.800 -0.064 0.000 1.158 287 F CA -1.013 56.962 58.000 -0.041 0.000 1.030 287 F CB 1.533 40.550 39.000 0.028 0.000 1.280 287 F HN 0.638 nan 8.300 nan 0.000 0.474 288 A N 3.314 126.119 122.820 -0.025 0.000 2.869 288 A HA 0.198 4.519 4.320 0.001 0.000 0.280 288 A C 1.578 179.132 177.584 -0.050 0.000 1.458 288 A CA 1.616 53.541 52.037 -0.186 0.000 0.776 288 A CB -2.156 16.598 19.000 -0.409 0.000 1.028 288 A HN 2.752 nan 8.150 nan 0.000 0.547 289 G N -1.967 106.841 108.800 0.013 0.000 2.198 289 G HA2 -0.241 3.719 3.960 0.001 0.000 0.260 289 G HA3 -0.241 3.719 3.960 0.001 0.000 0.260 289 G C -0.024 174.866 174.900 -0.017 0.000 1.025 289 G CA 1.420 46.529 45.100 0.016 0.000 0.769 289 G HN 1.419 nan 8.290 nan 0.000 0.507 290 K N -0.958 119.417 120.400 -0.043 0.000 2.480 290 K HA 0.603 4.923 4.320 0.001 0.000 0.258 290 K C -0.550 175.959 176.600 -0.152 0.000 0.990 290 K CA -0.857 55.383 56.287 -0.077 0.000 0.857 290 K CB 1.510 33.964 32.500 -0.076 0.000 1.384 290 K HN 0.010 nan 8.250 nan 0.000 0.446 291 T N 2.075 116.507 114.554 -0.203 0.000 2.780 291 T HA 0.326 4.676 4.350 0.001 0.000 0.294 291 T C -0.096 174.250 174.700 -0.590 0.000 0.949 291 T CA -0.388 61.471 62.100 -0.402 0.000 1.074 291 T CB 0.109 68.722 68.868 -0.424 0.000 0.910 291 T HN 0.207 nan 8.240 nan 0.000 0.501 292 I N 4.015 124.132 120.570 -0.755 0.000 2.377 292 I HA 0.381 4.552 4.170 0.001 0.000 0.293 292 I C -0.510 175.239 176.117 -0.613 0.000 0.987 292 I CA -1.026 59.859 61.300 -0.691 0.000 1.185 292 I CB 1.094 38.454 38.000 -1.066 0.000 1.341 292 I HN 0.609 nan 8.210 nan 0.000 0.455 293 Y N 4.597 124.862 120.300 -0.059 0.000 2.446 293 Y HA 0.289 4.840 4.550 0.001 0.000 0.338 293 Y C -0.176 175.817 175.900 0.155 0.000 1.055 293 Y CA -0.815 57.322 58.100 0.060 0.000 1.101 293 Y CB 1.247 39.723 38.460 0.027 0.000 1.221 293 Y HN 0.397 nan 8.280 nan 0.000 0.460 294 Y N 3.935 124.392 120.300 0.262 0.000 2.691 294 Y HA 0.451 5.001 4.550 0.001 0.000 0.338 294 Y C -0.508 175.481 175.900 0.149 0.000 1.148 294 Y CA -0.776 57.444 58.100 0.200 0.000 1.430 294 Y CB -0.155 38.409 38.460 0.173 0.000 1.303 294 Y HN 0.501 nan 8.280 nan 0.000 0.499 295 R N 3.507 123.916 120.500 -0.153 0.000 2.445 295 R HA 0.217 4.558 4.340 0.001 0.000 0.308 295 R C 0.095 176.243 176.300 -0.253 0.000 0.961 295 R CA -0.979 55.032 56.100 -0.147 0.000 0.862 295 R CB 1.065 31.328 30.300 -0.063 0.000 1.144 295 R HN 0.716 nan 8.270 nan 0.000 0.447 296 N N 1.468 120.049 118.700 -0.197 0.000 2.721 296 N HA -0.222 4.518 4.740 0.001 0.000 0.249 296 N C 0.473 175.837 175.510 -0.243 0.000 1.072 296 N CA 1.382 54.334 53.050 -0.163 0.000 0.710 296 N CB -0.832 37.587 38.487 -0.114 0.000 0.993 296 N HN 1.061 nan 8.380 nan 0.000 0.547 297 G N -2.100 106.410 108.800 -0.483 0.000 2.153 297 G HA2 -0.283 3.678 3.960 0.001 0.000 0.252 297 G HA3 -0.283 3.678 3.960 0.001 0.000 0.252 297 G C -0.070 174.538 174.900 -0.488 0.000 0.994 297 G CA 0.645 45.428 45.100 -0.528 0.000 0.698 297 G HN 0.487 nan 8.290 nan 0.000 0.521 298 L N -0.919 119.992 121.223 -0.520 0.000 2.341 298 L HA 0.586 4.926 4.340 0.001 0.000 0.267 298 L C 0.180 176.999 176.870 -0.085 0.000 1.009 298 L CA -1.225 53.494 54.840 -0.202 0.000 0.819 298 L CB 2.319 44.299 42.059 -0.130 0.000 1.323 298 L HN 0.089 nan 8.230 nan 0.000 0.425 299 C N 2.969 122.345 119.300 0.127 0.000 2.203 299 C HA 0.541 5.002 4.460 0.001 0.000 0.325 299 C C 0.209 175.302 174.990 0.172 0.000 1.156 299 C CA -0.721 58.462 59.018 0.274 0.000 1.597 299 C CB -0.435 27.571 27.740 0.445 0.000 2.148 299 C HN 0.465 nan 8.230 nan 0.000 0.472 300 V N 1.386 121.376 119.914 0.127 0.000 2.876 300 V HA 0.771 4.892 4.120 0.001 0.000 0.312 300 V C -0.525 175.640 176.094 0.118 0.000 1.085 300 V CA -0.735 61.619 62.300 0.089 0.000 0.945 300 V CB 1.928 33.777 31.823 0.043 0.000 1.017 300 V HN 0.670 nan 8.190 nan 0.000 0.428 301 D N 1.654 122.101 120.400 0.078 0.000 2.433 301 D HA 0.144 4.785 4.640 0.001 0.000 0.255 301 D C 1.080 177.479 176.300 0.163 0.000 1.226 301 D CA 0.055 54.110 54.000 0.092 0.000 1.015 301 D CB 0.534 41.346 40.800 0.019 0.000 1.091 301 D HN 0.861 nan 8.370 nan 0.000 0.527 302 E N -0.506 119.819 120.200 0.208 0.000 2.333 302 E HA -0.254 4.096 4.350 0.001 0.000 0.200 302 E C 0.459 177.078 176.600 0.032 0.000 1.010 302 E CA 0.899 57.372 56.400 0.122 0.000 0.841 302 E CB -0.471 29.304 29.700 0.125 0.000 0.757 302 E HN 0.321 nan 8.360 nan 0.000 0.508 303 N N 0.262 118.981 118.700 0.031 0.000 2.280 303 N HA 0.060 4.800 4.740 0.001 0.000 0.192 303 N C 1.050 176.559 175.510 -0.001 0.000 1.109 303 N CA 0.827 53.881 53.050 0.007 0.000 0.855 303 N CB 1.267 39.757 38.487 0.006 0.000 0.974 303 N HN 0.451 nan 8.380 nan 0.000 0.482 304 G N 0.546 109.349 108.800 0.005 0.000 2.176 304 G HA2 -0.262 3.699 3.960 0.001 0.000 0.253 304 G HA3 -0.262 3.699 3.960 0.001 0.000 0.253 304 G C 0.136 175.031 174.900 -0.009 0.000 0.979 304 G CA 0.263 45.358 45.100 -0.008 0.000 0.641 304 G HN 0.298 nan 8.290 nan 0.000 0.530 305 T N 3.209 117.764 114.554 0.003 0.000 2.784 305 T HA 0.404 4.754 4.350 0.001 0.000 0.291 305 T C 0.787 175.494 174.700 0.011 0.000 0.942 305 T CA -0.280 61.821 62.100 0.002 0.000 1.161 305 T CB 1.093 69.966 68.868 0.009 0.000 0.885 305 T HN 0.234 nan 8.240 nan 0.000 0.534 306 L N 3.749 124.963 121.223 -0.015 0.000 2.540 306 L HA 0.073 4.413 4.340 0.001 0.000 0.276 306 L C 0.544 177.467 176.870 0.088 0.000 1.212 306 L CA 0.890 55.723 54.840 -0.012 0.000 0.893 306 L CB 0.479 42.442 42.059 -0.159 0.000 1.138 306 L HN 0.680 nan 8.230 nan 0.000 0.491 307 S N 3.047 118.855 115.700 0.181 0.000 2.204 307 S HA 0.588 5.058 4.470 0.001 0.000 0.178 307 S C 0.281 175.171 174.600 0.483 0.000 1.493 307 S CA -0.001 58.366 58.200 0.279 0.000 1.266 307 S CB 0.768 64.103 63.200 0.225 0.000 1.232 307 S HN 1.170 nan 8.310 nan 0.000 0.406 308 G N 1.868 110.949 108.800 0.469 0.000 2.710 308 G HA2 -0.002 3.959 3.960 0.001 0.000 0.668 308 G HA3 -0.002 3.959 3.960 0.001 0.000 0.668 308 G C -0.284 174.866 174.900 0.417 0.000 1.320 308 G CA -0.410 44.957 45.100 0.444 0.000 0.860 308 G HN 1.137 nan 8.290 nan 0.000 0.538 309 S N -2.110 113.744 115.700 0.257 0.000 2.823 309 S HA 0.865 5.336 4.470 0.001 0.000 0.316 309 S C 0.870 175.562 174.600 0.154 0.000 1.116 309 S CA 0.763 59.114 58.200 0.252 0.000 0.911 309 S CB 1.812 65.069 63.200 0.096 0.000 1.276 309 S HN 2.402 nan 8.310 nan 0.000 0.565 310 S N -0.293 115.495 115.700 0.147 0.000 2.855 310 S HA 0.350 4.820 4.470 0.001 0.000 0.249 310 S C 0.019 174.643 174.600 0.039 0.000 1.033 310 S CA -0.610 57.637 58.200 0.078 0.000 1.038 310 S CB -0.484 62.813 63.200 0.162 0.000 0.960 310 S HN 0.661 nan 8.310 nan 0.000 0.548 311 L N 3.311 124.556 121.223 0.037 0.000 2.436 311 L HA 0.475 4.815 4.340 0.001 0.000 0.265 311 L C 0.349 177.209 176.870 -0.017 0.000 1.168 311 L CA 0.226 55.074 54.840 0.014 0.000 0.815 311 L CB 1.478 43.543 42.059 0.010 0.000 1.109 311 L HN 0.536 nan 8.230 nan 0.000 0.462 312 T N 0.202 114.742 114.554 -0.023 0.000 2.932 312 T HA 0.291 4.642 4.350 0.001 0.000 0.289 312 T C 1.080 175.755 174.700 -0.042 0.000 1.039 312 T CA -0.972 61.112 62.100 -0.026 0.000 1.024 312 T CB 1.638 70.498 68.868 -0.014 0.000 1.090 312 T HN 0.471 nan 8.240 nan 0.000 0.496 313 M N 0.871 120.456 119.600 -0.025 0.000 2.117 313 M HA 0.011 4.491 4.480 0.001 0.000 0.262 313 M C 2.100 178.243 176.300 -0.263 0.000 1.065 313 M CA 1.265 56.493 55.300 -0.120 0.000 1.114 313 M CB -1.428 31.160 32.600 -0.020 0.000 1.361 313 M HN 0.767 nan 8.290 nan 0.000 0.408 314 I N 0.827 121.357 120.570 -0.066 0.000 2.394 314 I HA -0.214 3.957 4.170 0.001 0.000 0.251 314 I C 2.007 178.005 176.117 -0.199 0.000 1.136 314 I CA 1.644 62.892 61.300 -0.087 0.000 1.425 314 I CB -0.273 37.798 38.000 0.118 0.000 1.079 314 I HN 0.332 nan 8.210 nan 0.000 0.425 315 E N -0.055 120.066 120.200 -0.132 0.000 2.107 315 E HA -0.091 4.259 4.350 0.001 0.000 0.191 315 E C 2.227 178.719 176.600 -0.180 0.000 0.982 315 E CA 0.915 57.233 56.400 -0.136 0.000 0.809 315 E CB -0.488 29.181 29.700 -0.052 0.000 0.756 315 E HN 0.644 nan 8.360 nan 0.000 0.459 316 G N 0.966 109.665 108.800 -0.169 0.000 2.408 316 G HA2 -0.217 3.743 3.960 0.001 0.000 0.217 316 G HA3 -0.217 3.743 3.960 0.001 0.000 0.217 316 G C 1.739 176.494 174.900 -0.242 0.000 1.150 316 G CA 0.502 45.512 45.100 -0.151 0.000 0.776 316 G HN 0.104 nan 8.290 nan 0.000 0.542 317 V N 0.791 120.479 119.914 -0.377 0.000 2.287 317 V HA -0.199 3.921 4.120 0.001 0.000 0.248 317 V C 2.804 178.579 176.094 -0.532 0.000 1.053 317 V CA 2.306 64.344 62.300 -0.435 0.000 1.027 317 V CB -0.464 31.031 31.823 -0.546 0.000 0.646 317 V HN 0.460 nan 8.190 nan 0.000 0.447 318 R N 0.336 120.368 120.500 -0.779 0.000 2.073 318 R HA -0.183 4.158 4.340 0.001 0.000 0.234 318 R C 2.176 178.135 176.300 -0.567 0.000 1.134 318 R CA 2.080 57.507 56.100 -1.122 0.000 0.952 318 R CB -0.310 29.376 30.300 -1.024 0.000 0.850 318 R HN 0.537 nan 8.270 nan 0.000 0.433 319 N N 0.734 119.251 118.700 -0.306 0.000 2.120 319 N HA -0.149 4.591 4.740 0.001 0.000 0.188 319 N C 1.874 177.264 175.510 -0.199 0.000 1.024 319 N CA 1.270 54.250 53.050 -0.118 0.000 0.852 319 N CB -0.259 38.304 38.487 0.127 0.000 1.003 319 N HN 0.268 nan 8.380 nan 0.000 0.424 320 L N 0.300 121.425 121.223 -0.165 0.000 2.083 320 L HA -0.112 4.229 4.340 0.001 0.000 0.209 320 L C 2.189 178.964 176.870 -0.159 0.000 1.083 320 L CA 0.696 55.460 54.840 -0.125 0.000 0.752 320 L CB -0.314 41.694 42.059 -0.085 0.000 0.899 320 L HN -0.016 nan 8.230 nan 0.000 0.433 321 V N -0.312 119.481 119.914 -0.203 0.000 2.283 321 V HA -0.216 3.905 4.120 0.001 0.000 0.243 321 V C 2.300 178.284 176.094 -0.183 0.000 1.039 321 V CA 1.727 63.943 62.300 -0.141 0.000 1.016 321 V CB -0.340 31.443 31.823 -0.068 0.000 0.650 321 V HN 0.446 nan 8.190 nan 0.000 0.449 322 E N -0.927 119.085 120.200 -0.314 0.000 2.152 322 E HA -0.130 4.221 4.350 0.001 0.000 0.192 322 E C 1.866 178.122 176.600 -0.572 0.000 0.983 322 E CA 1.041 57.179 56.400 -0.437 0.000 0.818 322 E CB -0.039 29.310 29.700 -0.584 0.000 0.758 322 E HN 0.684 nan 8.360 nan 0.000 0.467 323 H N -1.656 117.189 119.070 -0.375 0.000 2.874 323 H HA 0.217 4.773 4.556 0.001 0.000 0.264 323 H C 1.149 176.208 175.328 -0.448 0.000 1.007 323 H CA 0.129 55.847 56.048 -0.549 0.000 1.207 323 H CB 0.531 29.530 29.762 -1.272 0.000 1.487 323 H HN 0.159 nan 8.280 nan 0.000 0.505 324 C N 0.052 119.222 119.300 -0.216 0.000 3.183 324 C HA 0.365 4.826 4.460 0.001 0.000 0.285 324 C C 1.713 176.678 174.990 -0.042 0.000 1.313 324 C CA 0.310 59.276 59.018 -0.088 0.000 1.711 324 C CB -0.275 27.442 27.740 -0.039 0.000 2.135 324 C HN 0.748 nan 8.230 nan 0.000 0.651 325 G N 1.996 110.761 108.800 -0.059 0.000 2.249 325 G HA2 -0.267 3.693 3.960 0.001 0.000 0.273 325 G HA3 -0.267 3.693 3.960 0.001 0.000 0.273 325 G C -0.163 174.731 174.900 -0.009 0.000 1.036 325 G CA 0.186 45.269 45.100 -0.029 0.000 0.824 325 G HN 0.626 nan 8.290 nan 0.000 0.504 326 I N 0.825 121.386 120.570 -0.015 0.000 2.359 326 I HA 0.570 4.741 4.170 0.001 0.000 0.294 326 I C 1.039 177.162 176.117 0.009 0.000 0.987 326 I CA -0.657 60.647 61.300 0.007 0.000 1.225 326 I CB 1.662 39.669 38.000 0.011 0.000 1.366 326 I HN 0.282 nan 8.210 nan 0.000 0.466 327 A N 5.089 127.926 122.820 0.029 0.000 2.520 327 A HA 0.047 4.367 4.320 0.001 0.000 0.235 327 A C 1.024 178.632 177.584 0.039 0.000 1.065 327 A CA -0.247 51.815 52.037 0.040 0.000 0.764 327 A CB 0.255 19.291 19.000 0.060 0.000 1.002 327 A HN 0.827 nan 8.150 nan 0.000 0.502 328 L N 1.620 122.882 121.223 0.066 0.000 2.043 328 L HA -0.209 4.132 4.340 0.001 0.000 0.212 328 L C 2.219 179.076 176.870 -0.020 0.000 1.075 328 L CA 3.003 57.898 54.840 0.091 0.000 0.752 328 L CB -0.773 41.392 42.059 0.176 0.000 0.891 328 L HN 0.913 nan 8.230 nan 0.000 0.432 329 D N -1.182 119.220 120.400 0.003 0.000 2.144 329 D HA -0.289 4.351 4.640 0.001 0.000 0.199 329 D C 1.904 178.056 176.300 -0.247 0.000 0.984 329 D CA 1.543 55.329 54.000 -0.355 0.000 0.834 329 D CB -0.349 40.489 40.800 0.063 0.000 0.955 329 D HN 0.537 nan 8.370 nan 0.000 0.465 330 E N 0.681 120.857 120.200 -0.040 0.000 2.107 330 E HA -0.074 4.277 4.350 0.001 0.000 0.191 330 E C 2.191 178.761 176.600 -0.051 0.000 0.982 330 E CA 0.621 57.026 56.400 0.009 0.000 0.809 330 E CB -0.195 29.555 29.700 0.084 0.000 0.756 330 E HN 0.158 nan 8.360 nan 0.000 0.459 331 V N 0.520 120.396 119.914 -0.063 0.000 2.427 331 V HA -0.209 3.911 4.120 0.001 0.000 0.248 331 V C 2.186 178.197 176.094 -0.139 0.000 1.051 331 V CA 1.196 63.448 62.300 -0.080 0.000 1.048 331 V CB -0.450 31.326 31.823 -0.079 0.000 0.666 331 V HN 0.284 nan 8.190 nan 0.000 0.456 332 L N -0.155 120.959 121.223 -0.183 0.000 2.046 332 L HA -0.122 4.218 4.340 0.001 0.000 0.208 332 L C 2.550 179.372 176.870 -0.081 0.000 1.077 332 L CA 1.803 56.561 54.840 -0.137 0.000 0.747 332 L CB -1.090 40.744 42.059 -0.376 0.000 0.896 332 L HN 0.255 nan 8.230 nan 0.000 0.432 333 R N -1.395 118.993 120.500 -0.187 0.000 2.096 333 R HA -0.138 4.202 4.340 0.001 0.000 0.235 333 R C 2.173 178.093 176.300 -0.634 0.000 1.127 333 R CA 1.346 57.161 56.100 -0.475 0.000 0.968 333 R CB -0.297 29.500 30.300 -0.839 0.000 0.861 333 R HN 0.352 nan 8.270 nan 0.000 0.440 334 M N -0.601 118.805 119.600 -0.324 0.000 2.374 334 M HA -0.080 4.401 4.480 0.001 0.000 0.264 334 M C 1.877 178.188 176.300 0.018 0.000 1.067 334 M CA 1.317 56.624 55.300 0.012 0.000 1.103 334 M CB 0.161 32.810 32.600 0.081 0.000 1.402 334 M HN 0.155 nan 8.290 nan 0.000 0.444 335 A N -0.784 121.999 122.820 -0.062 0.000 2.348 335 A HA 0.130 4.450 4.320 0.001 0.000 0.224 335 A C 1.594 179.234 177.584 0.094 0.000 1.227 335 A CA 0.862 52.870 52.037 -0.049 0.000 0.885 335 A CB -0.276 18.534 19.000 -0.317 0.000 0.933 335 A HN 0.500 nan 8.150 nan 0.000 0.506 336 T N -3.975 110.622 114.554 0.072 0.000 3.422 336 T HA 0.124 4.475 4.350 0.001 0.000 0.179 336 T C 1.475 176.208 174.700 0.054 0.000 0.946 336 T CA 0.568 62.732 62.100 0.106 0.000 1.025 336 T CB -0.831 68.128 68.868 0.153 0.000 1.298 336 T HN 0.136 nan 8.240 nan 0.000 0.312 337 L N 0.909 122.122 121.223 -0.017 0.000 2.013 337 L HA -0.007 4.333 4.340 0.001 0.000 0.212 337 L C 2.474 179.460 176.870 0.194 0.000 1.073 337 L CA 2.042 56.890 54.840 0.013 0.000 0.753 337 L CB -1.219 40.785 42.059 -0.091 0.000 0.890 337 L HN 0.439 nan 8.230 nan 0.000 0.432 338 Y N 0.407 120.774 120.300 0.111 0.000 2.114 338 Y HA -0.070 4.480 4.550 0.001 0.000 0.284 338 Y C -0.108 175.853 175.900 0.102 0.000 1.143 338 Y CA 0.841 59.044 58.100 0.171 0.000 1.135 338 Y CB -2.854 35.726 38.460 0.201 0.000 0.980 338 Y HN 0.309 nan 8.280 nan 0.000 0.499 339 P HA -0.115 nan 4.420 nan 0.000 0.218 339 P C 1.365 178.681 177.300 0.026 0.000 1.149 339 P CA 2.094 65.279 63.100 0.143 0.000 0.817 339 P CB -0.089 31.696 31.700 0.142 0.000 0.785 340 A N 0.969 123.817 122.820 0.046 0.000 1.902 340 A HA -0.183 4.138 4.320 0.001 0.000 0.217 340 A C 2.413 179.974 177.584 -0.038 0.000 1.181 340 A CA 1.385 53.425 52.037 0.004 0.000 0.623 340 A CB -1.087 17.930 19.000 0.028 0.000 0.818 340 A HN 0.089 nan 8.150 nan 0.000 0.443 341 R N -0.605 119.880 120.500 -0.024 0.000 2.092 341 R HA -0.015 4.326 4.340 0.001 0.000 0.231 341 R C 2.453 178.560 176.300 -0.322 0.000 1.119 341 R CA 1.033 57.084 56.100 -0.081 0.000 0.970 341 R CB -0.483 29.855 30.300 0.063 0.000 0.864 341 R HN 0.509 nan 8.270 nan 0.000 0.440 342 A N 2.112 124.597 122.820 -0.559 0.000 1.940 342 A HA -0.135 4.185 4.320 0.001 0.000 0.219 342 A C 2.045 179.442 177.584 -0.313 0.000 1.176 342 A CA 1.438 53.044 52.037 -0.718 0.000 0.631 342 A CB -0.503 18.284 19.000 -0.354 0.000 0.814 342 A HN 0.468 nan 8.150 nan 0.000 0.446 343 I N -4.429 116.002 120.570 -0.232 0.000 3.891 343 I HA 0.501 4.672 4.170 0.001 0.000 0.331 343 I C 1.001 177.042 176.117 -0.127 0.000 1.406 343 I CA 0.300 61.484 61.300 -0.194 0.000 1.139 343 I CB -0.417 37.460 38.000 -0.205 0.000 1.056 343 I HN 0.302 nan 8.210 nan 0.000 0.399 344 G N 2.615 111.349 108.800 -0.111 0.000 2.323 344 G HA2 -0.252 3.709 3.960 0.001 0.000 0.292 344 G HA3 -0.252 3.709 3.960 0.001 0.000 0.292 344 G C 0.510 175.381 174.900 -0.048 0.000 1.040 344 G CA 0.523 45.583 45.100 -0.065 0.000 0.942 344 G HN 1.004 nan 8.290 nan 0.000 0.506 345 V N -2.331 117.555 119.914 -0.046 0.000 3.176 345 V HA 0.439 4.559 4.120 0.001 0.000 0.332 345 V C 1.682 177.768 176.094 -0.015 0.000 1.414 345 V CA 0.950 63.232 62.300 -0.031 0.000 1.133 345 V CB 0.802 32.603 31.823 -0.037 0.000 1.088 345 V HN 0.459 nan 8.190 nan 0.000 0.473 346 E N 1.721 121.917 120.200 -0.007 0.000 2.409 346 E HA -0.247 4.104 4.350 0.001 0.000 0.198 346 E C 1.670 178.276 176.600 0.010 0.000 1.024 346 E CA 1.355 57.761 56.400 0.010 0.000 0.861 346 E CB -0.057 29.660 29.700 0.029 0.000 0.788 346 E HN 0.745 nan 8.360 nan 0.000 0.521 347 K N 1.316 121.718 120.400 0.004 0.000 2.288 347 K HA -0.089 4.232 4.320 0.001 0.000 0.201 347 K C 2.116 178.715 176.600 -0.001 0.000 1.048 347 K CA 1.230 57.519 56.287 0.003 0.000 0.956 347 K CB 0.119 32.619 32.500 -0.000 0.000 0.746 347 K HN 0.234 nan 8.250 nan 0.000 0.461 348 R N -1.264 119.234 120.500 -0.004 0.000 2.394 348 R HA 0.289 4.629 4.340 0.001 0.000 0.220 348 R C 0.212 176.509 176.300 -0.005 0.000 0.887 348 R CA -0.247 55.849 56.100 -0.006 0.000 1.034 348 R CB 0.347 30.642 30.300 -0.008 0.000 1.179 348 R HN -0.049 nan 8.270 nan 0.000 0.561 349 L N -1.167 120.055 121.223 -0.001 0.000 2.341 349 L HA 0.642 4.983 4.340 0.001 0.000 0.254 349 L C 0.341 177.215 176.870 0.006 0.000 1.040 349 L CA -0.517 54.325 54.840 0.003 0.000 0.837 349 L CB 2.335 44.398 42.059 0.008 0.000 1.425 349 L HN 0.266 nan 8.230 nan 0.000 0.414 350 G N 0.096 108.903 108.800 0.011 0.000 2.232 350 G HA2 -0.201 3.760 3.960 0.001 0.000 0.226 350 G HA3 -0.201 3.760 3.960 0.001 0.000 0.226 350 G C 0.104 174.985 174.900 -0.032 0.000 0.996 350 G CA 0.169 45.275 45.100 0.010 0.000 0.626 350 G HN 0.906 nan 8.290 nan 0.000 0.509 351 T N -2.070 112.454 114.554 -0.049 0.000 2.843 351 T HA 0.683 5.033 4.350 0.001 0.000 0.302 351 T C -1.172 173.476 174.700 -0.086 0.000 1.232 351 T CA -0.855 61.179 62.100 -0.109 0.000 1.009 351 T CB 2.249 71.050 68.868 -0.111 0.000 1.254 351 T HN 0.600 nan 8.240 nan 0.000 0.504 352 L N 1.978 123.125 121.223 -0.126 0.000 2.314 352 L HA 0.807 5.148 4.340 0.001 0.000 0.275 352 L C 0.197 177.020 176.870 -0.077 0.000 1.068 352 L CA -0.116 54.669 54.840 -0.092 0.000 0.894 352 L CB -0.302 41.693 42.059 -0.107 0.000 1.275 352 L HN 1.138 nan 8.230 nan 0.000 0.432 353 A N 2.360 125.150 122.820 -0.050 0.000 2.587 353 A HA 0.896 5.217 4.320 0.001 0.000 0.293 353 A C -0.502 177.064 177.584 -0.029 0.000 1.087 353 A CA -0.399 51.618 52.037 -0.034 0.000 0.692 353 A CB 1.000 19.989 19.000 -0.018 0.000 1.291 353 A HN 0.590 nan 8.150 nan 0.000 0.407 354 A N -0.205 122.600 122.820 -0.025 0.000 2.566 354 A HA 0.479 4.799 4.320 0.001 0.000 0.245 354 A C 1.605 179.175 177.584 -0.023 0.000 1.056 354 A CA 1.323 53.344 52.037 -0.026 0.000 0.757 354 A CB -0.827 18.160 19.000 -0.022 0.000 0.979 354 A HN 2.844 nan 8.150 nan 0.000 0.508 355 G N 1.905 110.689 108.800 -0.026 0.000 2.258 355 G HA2 -0.206 3.755 3.960 0.001 0.000 0.233 355 G HA3 -0.206 3.755 3.960 0.001 0.000 0.233 355 G C 0.424 175.311 174.900 -0.021 0.000 1.006 355 G CA 0.369 45.455 45.100 -0.022 0.000 0.620 355 G HN 0.768 nan 8.290 nan 0.000 0.511 356 K N 1.006 121.393 120.400 -0.022 0.000 2.219 356 K HA 0.519 4.839 4.320 0.001 0.000 0.258 356 K C 0.968 177.555 176.600 -0.021 0.000 1.008 356 K CA -0.424 55.851 56.287 -0.019 0.000 0.928 356 K CB 1.162 33.650 32.500 -0.021 0.000 0.983 356 K HN 0.207 nan 8.250 nan 0.000 0.484 357 V N 1.572 121.477 119.914 -0.015 0.000 2.763 357 V HA -0.016 4.104 4.120 0.001 0.000 0.306 357 V C 0.872 176.957 176.094 -0.014 0.000 1.059 357 V CA -0.119 62.174 62.300 -0.012 0.000 1.138 357 V CB 0.856 32.677 31.823 -0.003 0.000 0.940 357 V HN 0.804 nan 8.190 nan 0.000 0.489 358 A N 4.638 127.450 122.820 -0.015 0.000 3.063 358 A HA 0.296 4.616 4.320 0.001 0.000 0.263 358 A C 0.278 177.865 177.584 0.004 0.000 1.736 358 A CA -0.216 51.811 52.037 -0.015 0.000 1.408 358 A CB -1.082 17.902 19.000 -0.028 0.000 1.108 358 A HN 0.765 nan 8.150 nan 0.000 0.621 359 N N 0.662 119.363 118.700 0.002 0.000 2.444 359 N HA 0.700 5.440 4.740 0.001 0.000 0.262 359 N C -0.972 174.533 175.510 -0.008 0.000 0.974 359 N CA -0.093 52.961 53.050 0.006 0.000 0.933 359 N CB 1.377 39.872 38.487 0.013 0.000 1.137 359 N HN 0.327 nan 8.380 nan 0.000 0.498 360 L N -0.027 121.188 121.223 -0.015 0.000 2.491 360 L HA 0.708 5.048 4.340 0.001 0.000 0.254 360 L C 0.161 176.991 176.870 -0.067 0.000 1.048 360 L CA -0.712 54.107 54.840 -0.035 0.000 0.855 360 L CB 1.972 44.027 42.059 -0.008 0.000 1.466 360 L HN 0.280 nan 8.230 nan 0.000 0.409 361 T N -0.241 114.254 114.554 -0.099 0.000 2.923 361 T HA 0.907 5.257 4.350 0.001 0.000 0.311 361 T C -1.837 172.859 174.700 -0.007 0.000 1.183 361 T CA -0.153 61.886 62.100 -0.101 0.000 1.020 361 T CB 1.612 70.296 68.868 -0.306 0.000 1.165 361 T HN 0.949 nan 8.240 nan 0.000 0.482 362 A N 3.237 126.082 122.820 0.041 0.000 2.386 362 A HA 0.948 5.269 4.320 0.001 0.000 0.311 362 A C -1.273 176.383 177.584 0.121 0.000 1.068 362 A CA -0.775 51.257 52.037 -0.008 0.000 0.743 362 A CB 0.788 19.765 19.000 -0.038 0.000 1.258 362 A HN 1.004 nan 8.150 nan 0.000 0.429 363 F N -0.646 119.324 119.950 0.033 0.000 2.631 363 F HA 0.764 5.292 4.527 0.001 0.000 0.308 363 F C 0.218 176.007 175.800 -0.018 0.000 1.097 363 F CA -0.505 57.514 58.000 0.033 0.000 0.952 363 F CB 0.944 40.007 39.000 0.104 0.000 1.307 363 F HN 0.627 nan 8.300 nan 0.000 0.450 364 T N -1.758 112.882 114.554 0.144 0.000 2.788 364 T HA 0.367 4.718 4.350 0.001 0.000 0.287 364 T C -2.163 172.520 174.700 -0.027 0.000 1.007 364 T CA -1.646 60.460 62.100 0.010 0.000 1.005 364 T CB 1.179 70.057 68.868 0.016 0.000 1.012 364 T HN 0.473 nan 8.240 nan 0.000 0.530 365 P HA -0.075 nan 4.420 nan 0.000 0.219 365 P C 0.821 177.863 177.300 -0.430 0.000 1.146 365 P CA 1.062 63.993 63.100 -0.281 0.000 0.808 365 P CB -0.126 31.466 31.700 -0.180 0.000 0.779 366 D N -1.706 118.583 120.400 -0.184 0.000 2.325 366 D HA -0.066 4.575 4.640 0.001 0.000 0.234 366 D C -0.096 176.275 176.300 0.118 0.000 1.122 366 D CA -0.614 53.366 54.000 -0.034 0.000 0.850 366 D CB -1.351 39.471 40.800 0.037 0.000 0.921 366 D HN 0.108 nan 8.370 nan 0.000 0.513 367 F N -0.499 119.531 119.950 0.133 0.000 3.071 367 F HA -0.232 4.296 4.527 0.001 0.000 0.295 367 F C 0.029 175.871 175.800 0.069 0.000 0.919 367 F CA 0.319 58.358 58.000 0.065 0.000 1.050 367 F CB -1.743 37.216 39.000 -0.069 0.000 1.040 367 F HN -0.014 nan 8.300 nan 0.000 0.692 368 K N 1.241 121.776 120.400 0.225 0.000 2.235 368 K HA 0.483 4.803 4.320 0.001 0.000 0.266 368 K C 0.268 176.991 176.600 0.205 0.000 0.980 368 K CA -0.782 55.607 56.287 0.171 0.000 0.849 368 K CB 1.692 34.260 32.500 0.114 0.000 1.098 368 K HN -0.003 nan 8.250 nan 0.000 0.445 369 I N 3.389 124.065 120.570 0.176 0.000 2.618 369 I HA -0.063 4.107 4.170 0.001 0.000 0.284 369 I C 1.672 177.858 176.117 0.113 0.000 1.146 369 I CA 0.644 62.048 61.300 0.173 0.000 1.425 369 I CB 0.215 38.285 38.000 0.117 0.000 1.383 369 I HN 0.693 nan 8.210 nan 0.000 0.562 370 T N 3.041 117.656 114.554 0.102 0.000 2.978 370 T HA 0.251 4.601 4.350 0.001 0.000 0.248 370 T C 0.666 175.386 174.700 0.033 0.000 1.018 370 T CA -0.016 62.117 62.100 0.053 0.000 1.026 370 T CB 0.637 69.526 68.868 0.035 0.000 1.032 370 T HN 0.504 nan 8.240 nan 0.000 0.485 371 K N 0.579 121.001 120.400 0.036 0.000 2.527 371 K HA 0.628 4.948 4.320 0.001 0.000 0.260 371 K C -1.686 174.921 176.600 0.012 0.000 0.937 371 K CA -0.630 55.667 56.287 0.018 0.000 0.826 371 K CB 2.597 35.104 32.500 0.012 0.000 1.359 371 K HN -0.043 nan 8.250 nan 0.000 0.434 372 T N 2.155 116.711 114.554 0.004 0.000 2.991 372 T HA 0.505 4.855 4.350 0.001 0.000 0.303 372 T C -0.818 173.885 174.700 0.006 0.000 1.015 372 T CA -0.581 61.514 62.100 -0.010 0.000 1.007 372 T CB 0.720 69.580 68.868 -0.013 0.000 1.034 372 T HN 0.352 nan 8.240 nan 0.000 0.446 373 I N 2.748 123.325 120.570 0.012 0.000 2.465 373 I HA 0.640 4.810 4.170 0.001 0.000 0.291 373 I C -0.794 175.343 176.117 0.033 0.000 1.014 373 I CA -1.178 60.145 61.300 0.039 0.000 1.093 373 I CB 2.153 40.198 38.000 0.074 0.000 1.267 373 I HN 0.261 nan 8.210 nan 0.000 0.431 374 V N 5.674 125.613 119.914 0.042 0.000 2.483 374 V HA 0.345 4.465 4.120 0.001 0.000 0.297 374 V C 0.130 176.251 176.094 0.045 0.000 1.027 374 V CA -0.723 61.602 62.300 0.041 0.000 0.855 374 V CB 1.479 33.329 31.823 0.045 0.000 0.995 374 V HN 0.883 nan 8.190 nan 0.000 0.424 375 N N 3.922 122.644 118.700 0.036 0.000 2.721 375 N HA -0.234 4.506 4.740 0.001 0.000 0.249 375 N C 1.228 176.763 175.510 0.042 0.000 1.072 375 N CA 1.603 54.670 53.050 0.030 0.000 0.710 375 N CB -0.933 37.570 38.487 0.028 0.000 0.993 375 N HN 1.565 nan 8.380 nan 0.000 0.547 376 G N -1.451 107.384 108.800 0.057 0.000 2.225 376 G HA2 -0.343 3.617 3.960 0.001 0.000 0.254 376 G HA3 -0.343 3.617 3.960 0.001 0.000 0.254 376 G C -0.023 174.986 174.900 0.182 0.000 0.988 376 G CA 0.428 45.593 45.100 0.109 0.000 0.625 376 G HN 0.588 nan 8.290 nan 0.000 0.527 377 N N 0.890 119.653 118.700 0.105 0.000 2.455 377 N HA 0.479 5.219 4.740 0.001 0.000 0.280 377 N C -0.292 175.249 175.510 0.052 0.000 1.055 377 N CA -0.341 52.753 53.050 0.074 0.000 0.961 377 N CB 1.516 40.031 38.487 0.046 0.000 1.121 377 N HN 0.434 nan 8.380 nan 0.000 0.476 378 E N 2.033 122.242 120.200 0.014 0.000 2.070 378 E HA 0.065 4.415 4.350 0.001 0.000 0.282 378 E C 0.602 177.199 176.600 -0.005 0.000 1.104 378 E CA -0.498 55.901 56.400 -0.003 0.000 0.876 378 E CB 0.364 30.034 29.700 -0.051 0.000 1.055 378 E HN 0.606 nan 8.360 nan 0.000 0.401 379 V N 2.054 121.972 119.914 0.007 0.000 3.590 379 V HA 0.201 4.322 4.120 0.001 0.000 0.265 379 V C 0.403 176.498 176.094 0.001 0.000 1.239 379 V CA -0.162 62.142 62.300 0.006 0.000 1.117 379 V CB 0.396 32.228 31.823 0.014 0.000 0.818 379 V HN 0.306 nan 8.190 nan 0.000 0.451 380 V N 0.672 120.586 119.914 0.000 0.000 2.577 380 V HA 0.612 4.732 4.120 0.001 0.000 0.303 380 V C -0.470 175.624 176.094 -0.001 0.000 1.042 380 V CA -0.023 62.278 62.300 0.001 0.000 0.872 380 V CB 1.841 33.667 31.823 0.005 0.000 0.998 380 V HN 0.404 nan 8.190 nan 0.000 0.423 381 T N 5.155 119.708 114.554 -0.002 0.000 2.985 381 T HA 0.602 4.953 4.350 0.001 0.000 0.315 381 T C -0.750 173.951 174.700 0.001 0.000 1.001 381 T CA -0.588 61.509 62.100 -0.005 0.000 1.016 381 T CB 1.261 70.119 68.868 -0.016 0.000 0.993 381 T HN 0.592 nan 8.240 nan 0.000 0.454 382 Q N 0.000 119.805 119.800 0.009 0.000 2.315 382 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 382 Q CA 0.000 55.811 55.803 0.013 0.000 1.022 382 Q CB 0.000 28.752 28.738 0.023 0.000 1.108 382 Q HN 0.000 nan 8.270 nan 0.000 0.481