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 3iyf_1_O DATA FIRST_RESID 7 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVITN DATA SEQUENCE IKDLSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.085 176.094 -0.015 0.000 1.182 7 V CA 0.000 62.291 62.300 -0.014 0.000 1.235 7 V CB 0.000 31.814 31.823 -0.014 0.000 1.184 8 L N 3.022 124.233 121.223 -0.019 0.000 2.334 8 L HA 0.620 4.961 4.340 0.000 0.000 0.270 8 L C -1.750 175.109 176.870 -0.018 0.000 1.018 8 L CA -1.772 53.056 54.840 -0.020 0.000 0.811 8 L CB 0.825 42.868 42.059 -0.027 0.000 1.271 8 L HN 0.254 nan 8.230 nan 0.000 0.443 9 P HA -0.010 nan 4.420 nan 0.000 0.272 9 P C -0.605 176.686 177.300 -0.015 0.000 1.243 9 P CA -0.325 62.767 63.100 -0.013 0.000 0.803 9 P CB 0.481 32.175 31.700 -0.011 0.000 0.974 10 E N -0.124 120.069 120.200 -0.012 0.000 2.366 10 E HA 0.021 4.371 4.350 0.000 0.000 0.266 10 E C 0.680 177.274 176.600 -0.009 0.000 1.051 10 E CA 0.040 56.434 56.400 -0.010 0.000 0.884 10 E CB 0.054 29.750 29.700 -0.007 0.000 1.006 10 E HN 0.531 nan 8.360 nan 0.000 0.417 11 N N 1.296 119.991 118.700 -0.009 0.000 2.843 11 N HA -0.177 4.563 4.740 0.000 0.000 0.189 11 N C -0.481 175.023 175.510 -0.010 0.000 1.356 11 N CA 0.523 53.570 53.050 -0.005 0.000 1.777 11 N CB -0.563 37.923 38.487 -0.002 0.000 0.942 11 N HN 0.346 nan 8.380 nan 0.000 0.534 12 M N 3.283 122.870 119.600 -0.021 0.000 2.227 12 M HA 0.177 4.658 4.480 0.000 0.000 0.349 12 M C -0.102 176.160 176.300 -0.063 0.000 1.443 12 M CA 0.893 56.171 55.300 -0.037 0.000 1.110 12 M CB 0.250 32.825 32.600 -0.041 0.000 1.773 12 M HN -0.061 nan 8.290 nan 0.000 0.463 13 K N 3.501 123.844 120.400 -0.096 0.000 2.276 13 K HA 0.383 4.703 4.320 0.000 0.000 0.283 13 K C -0.147 176.259 176.600 -0.324 0.000 1.044 13 K CA -0.360 55.806 56.287 -0.201 0.000 0.944 13 K CB 1.247 33.639 32.500 -0.179 0.000 1.012 13 K HN 0.516 nan 8.250 nan 0.000 0.472 14 R N 2.699 122.942 120.500 -0.429 0.000 2.670 14 R HA 0.313 4.653 4.340 0.000 0.000 0.289 14 R C -1.508 174.493 176.300 -0.499 0.000 0.965 14 R CA -0.553 55.339 56.100 -0.346 0.000 0.899 14 R CB 0.907 31.105 30.300 -0.169 0.000 1.173 14 R HN 0.559 nan 8.270 nan 0.000 0.456 15 Y N 5.248 125.558 120.300 0.017 0.000 2.402 15 Y HA 0.246 4.796 4.550 -0.000 0.000 0.325 15 Y C 0.433 176.343 175.900 0.016 0.000 1.009 15 Y CA -1.089 57.022 58.100 0.020 0.000 1.278 15 Y CB 1.445 39.923 38.460 0.030 0.000 1.105 15 Y HN 0.414 nan 8.280 nan 0.000 0.476 16 M N 0.493 120.187 119.600 0.158 0.000 1.801 16 M HA 0.658 5.138 4.480 0.000 0.000 0.198 16 M C 1.419 177.775 176.300 0.094 0.000 1.248 16 M CA 0.369 55.730 55.300 0.102 0.000 0.893 16 M CB -0.273 32.369 32.600 0.070 0.000 1.199 16 M HN 0.723 nan 8.290 nan 0.000 0.482 17 G N 0.707 109.547 108.800 0.066 0.000 2.700 17 G HA2 -0.394 3.566 3.960 0.000 0.000 0.350 17 G HA3 -0.394 3.566 3.960 0.000 0.000 0.350 17 G C 0.968 175.890 174.900 0.037 0.000 1.250 17 G CA 1.699 46.829 45.100 0.050 0.000 0.978 17 G HN 1.065 nan 8.290 nan 0.000 0.551 18 R N 1.008 121.527 120.500 0.032 0.000 2.052 18 R HA -0.057 4.284 4.340 0.000 0.000 0.224 18 R C 2.243 178.543 176.300 0.001 0.000 1.165 18 R CA 2.265 58.370 56.100 0.009 0.000 0.939 18 R CB -1.284 29.020 30.300 0.006 0.000 0.834 18 R HN 0.513 nan 8.270 nan 0.000 0.435 19 D N 1.480 121.896 120.400 0.027 0.000 6.235 19 D HA -0.360 4.280 4.640 0.000 0.000 0.293 19 D C 1.652 177.899 176.300 -0.089 0.000 1.817 19 D CA 2.606 56.617 54.000 0.017 0.000 0.850 19 D CB -0.952 40.060 40.800 0.354 0.000 0.721 19 D HN 0.548 nan 8.370 nan 0.000 0.899 20 A N -0.190 122.659 122.820 0.047 0.000 2.099 20 A HA -0.133 4.187 4.320 0.000 0.000 0.206 20 A C 1.731 179.312 177.584 -0.006 0.000 1.464 20 A CA 2.105 54.176 52.037 0.056 0.000 0.603 20 A CB -0.997 18.049 19.000 0.077 0.000 1.056 20 A HN 0.335 nan 8.150 nan 0.000 0.492 21 Q N -1.775 118.023 119.800 -0.004 0.000 2.616 21 Q HA -0.434 3.906 4.340 0.000 0.000 0.446 21 Q C 2.040 178.016 176.000 -0.040 0.000 0.974 21 Q CA 2.942 58.731 55.803 -0.024 0.000 0.987 21 Q CB -0.809 27.917 28.738 -0.019 0.000 1.560 21 Q HN 0.677 nan 8.270 nan 0.000 1.057 22 R N 0.047 120.509 120.500 -0.062 0.000 2.132 22 R HA -0.256 4.085 4.340 0.000 0.000 0.233 22 R C 2.351 178.591 176.300 -0.101 0.000 1.125 22 R CA 2.527 58.574 56.100 -0.087 0.000 0.914 22 R CB -0.441 29.793 30.300 -0.110 0.000 0.845 22 R HN 0.519 nan 8.270 nan 0.000 0.431 23 M N 0.454 119.967 119.600 -0.146 0.000 3.092 23 M HA -0.366 4.115 4.480 0.000 0.000 0.270 23 M C 2.092 178.404 176.300 0.020 0.000 1.042 23 M CA 2.779 58.028 55.300 -0.085 0.000 1.052 23 M CB -1.151 31.421 32.600 -0.047 0.000 1.250 23 M HN 0.434 nan 8.290 nan 0.000 0.529 24 N N 0.091 118.822 118.700 0.051 0.000 2.069 24 N HA -0.135 4.605 4.740 0.000 0.000 0.191 24 N C 1.731 177.256 175.510 0.025 0.000 1.031 24 N CA 1.351 54.436 53.050 0.060 0.000 0.852 24 N CB -0.239 38.266 38.487 0.030 0.000 1.018 24 N HN 0.312 nan 8.380 nan 0.000 0.423 25 I N 1.305 121.871 120.570 -0.007 0.000 2.052 25 I HA -0.329 3.842 4.170 0.000 0.000 0.235 25 I C 2.341 178.443 176.117 -0.026 0.000 1.046 25 I CA 1.120 62.406 61.300 -0.023 0.000 1.308 25 I CB -0.431 37.547 38.000 -0.036 0.000 1.031 25 I HN 0.180 nan 8.210 nan 0.000 0.395 26 L N 0.553 121.750 121.223 -0.044 0.000 2.026 26 L HA -0.374 3.967 4.340 0.000 0.000 0.231 26 L C 2.559 179.406 176.870 -0.039 0.000 1.095 26 L CA 2.183 56.985 54.840 -0.063 0.000 0.810 26 L CB -0.493 41.499 42.059 -0.111 0.000 0.909 26 L HN 0.379 nan 8.230 nan 0.000 0.444 27 A N -1.296 121.520 122.820 -0.006 0.000 2.119 27 A HA -0.013 4.307 4.320 0.000 0.000 0.217 27 A C 2.114 179.713 177.584 0.024 0.000 1.153 27 A CA 1.351 53.409 52.037 0.036 0.000 0.692 27 A CB -0.729 18.367 19.000 0.160 0.000 0.799 27 A HN 0.581 nan 8.150 nan 0.000 0.458 28 G N -0.241 108.564 108.800 0.009 0.000 2.595 28 G HA2 -0.010 3.950 3.960 0.000 0.000 0.213 28 G HA3 -0.010 3.950 3.960 0.000 0.000 0.213 28 G C 1.644 176.536 174.900 -0.012 0.000 1.141 28 G CA 0.429 45.529 45.100 -0.001 0.000 0.806 28 G HN 0.605 nan 8.290 nan 0.000 0.530 29 R N 0.397 120.886 120.500 -0.018 0.000 2.090 29 R HA 0.090 4.430 4.340 0.000 0.000 0.228 29 R C 2.082 178.369 176.300 -0.021 0.000 1.110 29 R CA 0.886 56.973 56.100 -0.022 0.000 0.973 29 R CB -0.725 29.560 30.300 -0.026 0.000 0.869 29 R HN 0.428 nan 8.270 nan 0.000 0.440 30 I N 1.997 122.554 120.570 -0.021 0.000 3.009 30 I HA -0.372 3.798 4.170 0.000 0.000 0.133 30 I C 1.926 178.034 176.117 -0.014 0.000 0.887 30 I CA 1.450 62.739 61.300 -0.019 0.000 1.251 30 I CB -0.813 37.174 38.000 -0.021 0.000 1.026 30 I HN 0.193 nan 8.210 nan 0.000 0.410 31 I N -0.719 119.846 120.570 -0.008 0.000 4.687 31 I HA -0.470 3.700 4.170 0.000 0.000 0.047 31 I C 1.988 178.100 176.117 -0.009 0.000 0.625 31 I CA 2.312 63.609 61.300 -0.005 0.000 0.733 31 I CB -2.628 35.373 38.000 0.002 0.000 0.682 31 I HN 0.612 nan 8.210 nan 0.000 0.158 32 A N 1.518 124.330 122.820 -0.013 0.000 1.832 32 A HA -0.112 4.209 4.320 0.000 0.000 0.214 32 A C 2.164 179.738 177.584 -0.018 0.000 1.204 32 A CA 2.179 54.205 52.037 -0.018 0.000 0.606 32 A CB -0.869 18.118 19.000 -0.022 0.000 0.849 32 A HN 0.784 nan 8.150 nan 0.000 0.445 33 E N -0.010 120.179 120.200 -0.018 0.000 2.153 33 E HA -0.153 4.197 4.350 0.000 0.000 0.194 33 E C 2.108 178.699 176.600 -0.015 0.000 0.988 33 E CA 1.563 57.952 56.400 -0.017 0.000 0.811 33 E CB -0.618 29.071 29.700 -0.018 0.000 0.746 33 E HN 0.847 nan 8.360 nan 0.000 0.466 34 T N 0.760 115.306 114.554 -0.013 0.000 2.428 34 T HA -0.291 4.060 4.350 0.000 0.000 0.248 34 T C 2.246 176.939 174.700 -0.011 0.000 1.284 34 T CA 2.524 64.618 62.100 -0.010 0.000 1.217 34 T CB -1.310 67.553 68.868 -0.008 0.000 0.864 34 T HN 0.184 nan 8.240 nan 0.000 0.402 35 V N 2.686 122.593 119.914 -0.012 0.000 2.469 35 V HA -0.237 3.883 4.120 0.000 0.000 0.251 35 V C 2.835 178.920 176.094 -0.015 0.000 1.064 35 V CA 2.202 64.495 62.300 -0.012 0.000 1.066 35 V CB -1.503 30.315 31.823 -0.009 0.000 0.667 35 V HN 0.759 nan 8.190 nan 0.000 0.461 36 R N 2.502 122.992 120.500 -0.017 0.000 2.103 36 R HA -0.112 4.229 4.340 0.000 0.000 0.242 36 R C 1.600 177.888 176.300 -0.019 0.000 1.142 36 R CA 2.056 58.144 56.100 -0.020 0.000 0.960 36 R CB -1.243 29.044 30.300 -0.022 0.000 0.858 36 R HN 0.593 nan 8.270 nan 0.000 0.439 37 S N 0.190 115.880 115.700 -0.016 0.000 2.519 37 S HA 0.117 4.587 4.470 0.000 0.000 0.245 37 S C 0.389 174.982 174.600 -0.012 0.000 1.152 37 S CA -0.068 58.123 58.200 -0.015 0.000 1.175 37 S CB 0.936 64.129 63.200 -0.012 0.000 0.829 37 S HN 0.614 nan 8.310 nan 0.000 0.472 38 T N -1.833 112.713 114.554 -0.013 0.000 3.115 38 T HA 0.300 4.650 4.350 0.000 0.000 0.256 38 T C 0.371 175.063 174.700 -0.012 0.000 0.970 38 T CA -0.331 61.762 62.100 -0.011 0.000 1.010 38 T CB -0.478 68.385 68.868 -0.008 0.000 1.151 38 T HN 0.283 nan 8.240 nan 0.000 0.479 39 L N 3.091 124.305 121.223 -0.016 0.000 2.455 39 L HA 0.498 4.838 4.340 0.000 0.000 0.272 39 L C 1.052 177.908 176.870 -0.024 0.000 1.174 39 L CA 1.644 56.474 54.840 -0.018 0.000 0.869 39 L CB -0.291 41.758 42.059 -0.016 0.000 1.130 39 L HN 0.856 nan 8.230 nan 0.000 0.474 40 G N 4.168 112.954 108.800 -0.023 0.000 2.698 40 G HA2 -0.239 3.721 3.960 0.000 0.000 0.233 40 G HA3 -0.239 3.721 3.960 0.000 0.000 0.233 40 G C -1.429 173.451 174.900 -0.033 0.000 1.352 40 G CA -0.279 44.803 45.100 -0.031 0.000 0.879 40 G HN 0.634 nan 8.290 nan 0.000 0.567 41 P HA -0.048 nan 4.420 nan 0.000 0.218 41 P C 1.070 178.336 177.300 -0.056 0.000 1.146 41 P CA 1.486 64.543 63.100 -0.071 0.000 0.820 41 P CB 0.050 31.640 31.700 -0.183 0.000 0.778 42 K N -0.123 120.244 120.400 -0.055 0.000 2.576 42 K HA 0.349 4.669 4.320 0.000 0.000 0.209 42 K C 0.799 177.385 176.600 -0.024 0.000 1.049 42 K CA -0.094 56.168 56.287 -0.041 0.000 1.140 42 K CB 0.632 33.101 32.500 -0.053 0.000 0.871 42 K HN 0.095 nan 8.250 nan 0.000 0.479 43 G N 0.176 108.966 108.800 -0.016 0.000 2.453 43 G HA2 0.597 4.557 3.960 0.000 0.000 0.323 43 G HA3 0.597 4.557 3.960 0.000 0.000 0.323 43 G C -0.274 174.625 174.900 -0.002 0.000 1.198 43 G CA -0.425 44.669 45.100 -0.011 0.000 0.959 43 G HN -0.116 nan 8.290 nan 0.000 0.482 44 M N 0.114 119.712 119.600 -0.002 0.000 2.872 44 M HA 0.449 4.929 4.480 0.000 0.000 0.290 44 M C -0.630 175.672 176.300 0.004 0.000 1.180 44 M CA -0.664 54.637 55.300 0.002 0.000 0.839 44 M CB 1.587 34.187 32.600 0.000 0.000 1.667 44 M HN 0.402 nan 8.290 nan 0.000 0.512 45 D N 0.301 120.705 120.400 0.006 0.000 2.388 45 D HA 0.565 5.205 4.640 0.000 0.000 0.254 45 D C -0.847 175.456 176.300 0.005 0.000 1.111 45 D CA -0.155 53.850 54.000 0.008 0.000 0.993 45 D CB 0.949 41.756 40.800 0.012 0.000 1.118 45 D HN 0.212 nan 8.370 nan 0.000 0.502 46 K N 0.175 120.578 120.400 0.006 0.000 2.501 46 K HA 0.429 4.749 4.320 0.000 0.000 0.252 46 K C -1.119 175.484 176.600 0.006 0.000 0.934 46 K CA -0.616 55.673 56.287 0.004 0.000 0.797 46 K CB 2.549 35.051 32.500 0.003 0.000 1.270 46 K HN 0.323 nan 8.250 nan 0.000 0.431 47 M N 5.746 125.349 119.600 0.005 0.000 2.043 47 M HA 0.380 4.860 4.480 0.000 0.000 0.322 47 M C -1.690 174.613 176.300 0.005 0.000 0.962 47 M CA -0.713 54.590 55.300 0.006 0.000 0.927 47 M CB 0.406 33.009 32.600 0.005 0.000 1.466 47 M HN 0.550 nan 8.290 nan 0.000 0.412 48 L N 5.007 126.233 121.223 0.005 0.000 2.387 48 L HA 0.931 5.271 4.340 0.000 0.000 0.266 48 L C -0.651 176.222 176.870 0.005 0.000 1.059 48 L CA -1.043 53.800 54.840 0.005 0.000 0.801 48 L CB 1.457 43.519 42.059 0.005 0.000 1.223 48 L HN 0.466 nan 8.230 nan 0.000 0.456 49 V N -1.047 118.870 119.914 0.005 0.000 3.147 49 V HA 0.439 4.559 4.120 0.000 0.000 0.299 49 V C -1.737 174.360 176.094 0.005 0.000 1.302 49 V CA -0.852 61.450 62.300 0.005 0.000 1.015 49 V CB 2.240 34.065 31.823 0.004 0.000 1.086 49 V HN 0.926 nan 8.190 nan 0.000 0.437 50 D N -0.702 119.701 120.400 0.005 0.000 2.527 50 D HA 0.391 5.031 4.640 0.000 0.000 0.233 50 D C 0.610 176.913 176.300 0.005 0.000 1.063 50 D CA -0.134 53.868 54.000 0.005 0.000 0.880 50 D CB 1.447 42.250 40.800 0.005 0.000 1.457 50 D HN 0.690 nan 8.370 nan 0.000 0.475 51 D N 0.518 120.920 120.400 0.004 0.000 4.765 51 D HA -0.345 4.295 4.640 0.000 0.000 0.194 51 D C 1.373 177.676 176.300 0.004 0.000 1.446 51 D CA 1.351 55.354 54.000 0.004 0.000 0.948 51 D CB -0.365 40.437 40.800 0.004 0.000 0.836 51 D HN 0.290 nan 8.370 nan 0.000 0.583 52 L N -1.139 120.087 121.223 0.004 0.000 2.291 52 L HA 0.206 4.546 4.340 0.000 0.000 0.214 52 L C 2.444 179.317 176.870 0.004 0.000 1.120 52 L CA 1.585 56.428 54.840 0.004 0.000 0.799 52 L CB -0.361 41.700 42.059 0.005 0.000 0.925 52 L HN 0.543 nan 8.230 nan 0.000 0.446 53 G N -1.705 107.097 108.800 0.004 0.000 2.232 53 G HA2 -0.286 3.674 3.960 0.000 0.000 0.226 53 G HA3 -0.286 3.674 3.960 0.000 0.000 0.226 53 G C 0.232 175.135 174.900 0.004 0.000 0.996 53 G CA 0.085 45.187 45.100 0.004 0.000 0.626 53 G HN 0.341 nan 8.290 nan 0.000 0.509 54 D N 1.366 121.769 120.400 0.005 0.000 2.358 54 D HA 0.418 5.059 4.640 0.000 0.000 0.258 54 D C 1.057 177.361 176.300 0.006 0.000 1.223 54 D CA 0.496 54.499 54.000 0.006 0.000 0.886 54 D CB 1.060 41.864 40.800 0.006 0.000 1.120 54 D HN 0.725 nan 8.370 nan 0.000 0.482 55 V N 2.945 122.863 119.914 0.006 0.000 2.356 55 V HA 0.294 4.414 4.120 0.000 0.000 0.258 55 V C 0.231 176.330 176.094 0.009 0.000 1.065 55 V CA -0.798 61.507 62.300 0.007 0.000 0.935 55 V CB 0.328 32.154 31.823 0.005 0.000 1.061 55 V HN 0.306 nan 8.190 nan 0.000 0.484 56 V N 3.408 123.328 119.914 0.010 0.000 2.325 56 V HA 0.618 4.739 4.120 0.000 0.000 0.280 56 V C -0.208 175.894 176.094 0.014 0.000 1.016 56 V CA -0.520 61.788 62.300 0.013 0.000 0.818 56 V CB 1.310 33.140 31.823 0.011 0.000 1.019 56 V HN 0.509 nan 8.190 nan 0.000 0.434 57 V N 6.110 126.035 119.914 0.018 0.000 2.372 57 V HA 0.614 4.734 4.120 0.000 0.000 0.261 57 V C 0.798 176.904 176.094 0.021 0.000 1.055 57 V CA 0.752 63.063 62.300 0.018 0.000 0.930 57 V CB 0.425 32.261 31.823 0.022 0.000 1.031 57 V HN 1.154 nan 8.190 nan 0.000 0.479 58 T N 0.377 114.941 114.554 0.015 0.000 2.864 58 T HA 0.412 4.763 4.350 0.000 0.000 0.299 58 T C 0.259 174.964 174.700 0.008 0.000 1.166 58 T CA -0.683 61.425 62.100 0.013 0.000 1.007 58 T CB 2.454 71.328 68.868 0.009 0.000 1.219 58 T HN 0.363 nan 8.240 nan 0.000 0.506 59 N N -0.405 118.299 118.700 0.007 0.000 2.297 59 N HA 0.054 4.795 4.740 0.000 0.000 0.208 59 N C -0.496 175.014 175.510 0.000 0.000 1.176 59 N CA 0.005 53.057 53.050 0.004 0.000 0.882 59 N CB 0.304 38.795 38.487 0.006 0.000 1.134 59 N HN 0.628 nan 8.380 nan 0.000 0.489 60 D N 0.012 120.411 120.400 -0.001 0.000 2.506 60 D HA 0.113 4.754 4.640 0.000 0.000 0.234 60 D C 1.261 177.559 176.300 -0.004 0.000 1.143 60 D CA 0.541 54.538 54.000 -0.004 0.000 0.871 60 D CB 1.200 41.996 40.800 -0.006 0.000 1.190 60 D HN 0.378 nan 8.370 nan 0.000 0.459 61 G N 1.344 110.141 108.800 -0.005 0.000 2.426 61 G HA2 -0.144 3.816 3.960 0.000 0.000 0.214 61 G HA3 -0.144 3.816 3.960 0.000 0.000 0.214 61 G C 1.600 176.498 174.900 -0.004 0.000 1.156 61 G CA 0.212 45.309 45.100 -0.005 0.000 0.802 61 G HN 0.442 nan 8.290 nan 0.000 0.534 62 V N 0.819 120.731 119.914 -0.004 0.000 2.287 62 V HA -0.131 3.989 4.120 0.000 0.000 0.248 62 V C 2.737 178.830 176.094 -0.002 0.000 1.053 62 V CA 2.516 64.814 62.300 -0.003 0.000 1.027 62 V CB -0.280 31.541 31.823 -0.003 0.000 0.646 62 V HN 0.349 nan 8.190 nan 0.000 0.447 63 T N -0.749 113.804 114.554 -0.002 0.000 3.144 63 T HA 0.270 4.621 4.350 0.000 0.000 0.249 63 T C 1.295 175.995 174.700 0.001 0.000 1.089 63 T CA 0.295 62.395 62.100 -0.001 0.000 0.989 63 T CB 0.018 68.886 68.868 -0.001 0.000 0.992 63 T HN 0.371 nan 8.240 nan 0.000 0.540 64 I N 0.146 120.716 120.570 0.001 0.000 3.790 64 I HA 0.050 4.221 4.170 0.000 0.000 0.305 64 I C 1.264 177.383 176.117 0.002 0.000 1.253 64 I CA 0.214 61.515 61.300 0.001 0.000 1.355 64 I CB 0.404 38.404 38.000 0.000 0.000 1.137 64 I HN 0.151 nan 8.210 nan 0.000 0.435 65 L N 0.272 121.496 121.223 0.002 0.000 2.109 65 L HA -0.083 4.257 4.340 0.000 0.000 0.207 65 L C 2.422 179.295 176.870 0.004 0.000 1.086 65 L CA 1.494 56.336 54.840 0.003 0.000 0.760 65 L CB -1.934 40.127 42.059 0.004 0.000 0.910 65 L HN 0.239 nan 8.230 nan 0.000 0.437 66 R N 0.041 120.543 120.500 0.003 0.000 2.096 66 R HA -0.180 4.160 4.340 0.000 0.000 0.240 66 R C 2.339 178.641 176.300 0.004 0.000 1.139 66 R CA 1.560 57.662 56.100 0.003 0.000 0.952 66 R CB 0.190 30.491 30.300 0.002 0.000 0.854 66 R HN 0.317 nan 8.270 nan 0.000 0.436 67 E N -0.045 120.158 120.200 0.004 0.000 2.024 67 E HA -0.033 4.317 4.350 0.000 0.000 0.190 67 E C 0.611 177.215 176.600 0.006 0.000 0.974 67 E CA 0.594 56.996 56.400 0.005 0.000 0.810 67 E CB -0.113 29.590 29.700 0.005 0.000 0.775 67 E HN 0.170 nan 8.360 nan 0.000 0.453 68 M N 2.100 121.703 119.600 0.006 0.000 2.982 68 M HA -0.017 4.463 4.480 0.000 0.000 0.293 68 M C 0.382 176.688 176.300 0.009 0.000 1.611 68 M CA -0.125 55.179 55.300 0.007 0.000 1.576 68 M CB -1.504 31.099 32.600 0.006 0.000 1.555 68 M HN -0.147 nan 8.290 nan 0.000 0.485 69 S N 3.165 118.870 115.700 0.009 0.000 2.986 69 S HA 0.055 4.525 4.470 0.000 0.000 0.334 69 S C 0.471 175.080 174.600 0.015 0.000 0.946 69 S CA -0.363 57.843 58.200 0.011 0.000 1.968 69 S CB -0.712 62.494 63.200 0.010 0.000 1.320 69 S HN 0.575 nan 8.310 nan 0.000 0.662 70 V N 5.498 125.424 119.914 0.019 0.000 2.953 70 V HA 0.035 4.155 4.120 0.000 0.000 0.304 70 V C 1.516 177.633 176.094 0.038 0.000 1.138 70 V CA 0.699 63.016 62.300 0.028 0.000 1.266 70 V CB 0.334 32.176 31.823 0.032 0.000 0.923 70 V HN 0.981 nan 8.190 nan 0.000 0.505 71 E N 5.136 125.368 120.200 0.053 0.000 2.931 71 E HA -0.190 4.160 4.350 0.000 0.000 0.396 71 E C 0.595 177.274 176.600 0.132 0.000 0.760 71 E CA 0.555 57.005 56.400 0.082 0.000 2.407 71 E CB -0.905 28.837 29.700 0.071 0.000 1.219 71 E HN 0.883 nan 8.360 nan 0.000 0.546 72 H N 2.327 121.400 119.070 0.006 0.000 3.146 72 H HA -0.091 4.466 4.556 0.001 0.000 0.269 72 H C -1.733 173.600 175.328 0.008 0.000 0.847 72 H CA 0.456 56.509 56.048 0.007 0.000 1.422 72 H CB 0.182 29.944 29.762 -0.000 0.000 1.274 72 H HN 0.218 nan 8.280 nan 0.000 0.534 73 P HA 0.056 nan 4.420 nan 0.000 0.235 73 P C 0.858 178.084 177.300 -0.124 0.000 1.177 73 P CA 1.246 64.263 63.100 -0.137 0.000 0.785 73 P CB 0.441 32.051 31.700 -0.150 0.000 0.885 74 A N 0.810 123.516 122.820 -0.189 0.000 1.872 74 A HA -0.028 4.292 4.320 0.000 0.000 0.214 74 A C 2.290 179.868 177.584 -0.010 0.000 1.187 74 A CA 1.784 53.769 52.037 -0.085 0.000 0.614 74 A CB -1.612 17.351 19.000 -0.060 0.000 0.826 74 A HN 0.156 nan 8.150 nan 0.000 0.442 75 A N -0.085 122.755 122.820 0.034 0.000 2.042 75 A HA -0.228 4.092 4.320 0.000 0.000 0.222 75 A C 2.045 179.647 177.584 0.030 0.000 1.167 75 A CA 2.036 54.110 52.037 0.061 0.000 0.649 75 A CB -0.412 18.659 19.000 0.119 0.000 0.809 75 A HN 0.612 nan 8.150 nan 0.000 0.457 76 K N -0.681 119.726 120.400 0.011 0.000 2.284 76 K HA 0.120 4.440 4.320 0.000 0.000 0.198 76 K C 1.560 178.159 176.600 -0.002 0.000 1.048 76 K CA 0.840 57.129 56.287 0.004 0.000 0.987 76 K CB -0.179 32.321 32.500 -0.000 0.000 0.800 76 K HN 0.726 nan 8.250 nan 0.000 0.486 77 M N 0.354 119.949 119.600 -0.008 0.000 2.800 77 M HA 0.025 4.505 4.480 0.000 0.000 0.235 77 M C 1.168 177.468 176.300 0.000 0.000 1.057 77 M CA 1.223 56.520 55.300 -0.005 0.000 1.066 77 M CB -0.360 32.234 32.600 -0.010 0.000 1.558 77 M HN 0.034 nan 8.290 nan 0.000 0.551 78 L N -0.513 120.712 121.223 0.004 0.000 2.781 78 L HA 0.215 4.555 4.340 0.000 0.000 0.245 78 L C 1.882 178.754 176.870 0.003 0.000 1.118 78 L CA -0.157 54.685 54.840 0.004 0.000 0.918 78 L CB 0.363 42.425 42.059 0.006 0.000 1.246 78 L HN 0.276 nan 8.230 nan 0.000 0.526 79 I N 0.150 120.722 120.570 0.004 0.000 2.676 79 I HA -0.187 3.984 4.170 0.000 0.000 0.259 79 I C 1.825 177.943 176.117 0.002 0.000 1.194 79 I CA 1.712 63.014 61.300 0.003 0.000 1.473 79 I CB 0.079 38.081 38.000 0.004 0.000 1.096 79 I HN 0.188 nan 8.210 nan 0.000 0.443 80 E N -0.929 119.272 120.200 0.002 0.000 2.385 80 E HA -0.002 4.349 4.350 0.000 0.000 0.194 80 E C 1.984 178.585 176.600 0.002 0.000 1.013 80 E CA 0.596 56.997 56.400 0.002 0.000 0.866 80 E CB 0.260 29.961 29.700 0.001 0.000 0.832 80 E HN 0.394 nan 8.360 nan 0.000 0.500 81 V N 0.044 119.960 119.914 0.003 0.000 2.949 81 V HA 0.086 4.206 4.120 0.000 0.000 0.245 81 V C 2.053 178.148 176.094 0.002 0.000 1.086 81 V CA 1.231 63.534 62.300 0.004 0.000 1.097 81 V CB 0.034 31.860 31.823 0.006 0.000 0.762 81 V HN 0.250 nan 8.190 nan 0.000 0.470 82 A N -0.095 122.725 122.820 0.001 0.000 2.016 82 A HA -0.082 4.238 4.320 0.000 0.000 0.217 82 A C 2.277 179.861 177.584 -0.001 0.000 1.162 82 A CA 1.447 53.483 52.037 -0.001 0.000 0.662 82 A CB -0.306 18.693 19.000 -0.002 0.000 0.812 82 A HN 0.414 nan 8.150 nan 0.000 0.450 83 K N -0.023 120.377 120.400 -0.000 0.000 2.026 83 K HA -0.150 4.170 4.320 0.000 0.000 0.208 83 K C 2.050 178.650 176.600 -0.001 0.000 1.048 83 K CA 1.980 58.267 56.287 -0.001 0.000 0.929 83 K CB -0.358 32.142 32.500 -0.000 0.000 0.713 83 K HN 0.577 nan 8.250 nan 0.000 0.439 84 T N 0.093 114.647 114.554 0.001 0.000 2.759 84 T HA -0.209 4.141 4.350 0.000 0.000 0.269 84 T C 1.871 176.572 174.700 0.001 0.000 1.042 84 T CA 1.477 63.578 62.100 0.001 0.000 1.140 84 T CB -0.305 68.565 68.868 0.002 0.000 0.864 84 T HN 0.243 nan 8.240 nan 0.000 0.455 85 Q N 0.703 120.504 119.800 0.001 0.000 2.297 85 Q HA -0.034 4.306 4.340 0.000 0.000 0.204 85 Q C 2.325 178.324 176.000 -0.002 0.000 0.962 85 Q CA 0.969 56.772 55.803 0.000 0.000 0.879 85 Q CB -0.145 28.594 28.738 0.001 0.000 0.947 85 Q HN 0.535 nan 8.270 nan 0.000 0.462 86 E N 0.355 120.553 120.200 -0.003 0.000 2.051 86 E HA -0.148 4.202 4.350 0.000 0.000 0.189 86 E C 1.473 178.070 176.600 -0.005 0.000 0.979 86 E CA 0.945 57.342 56.400 -0.004 0.000 0.803 86 E CB 0.108 29.804 29.700 -0.005 0.000 0.761 86 E HN 0.297 nan 8.360 nan 0.000 0.451 87 K N 0.481 120.879 120.400 -0.004 0.000 2.059 87 K HA -0.209 4.111 4.320 0.000 0.000 0.212 87 K C 2.257 178.854 176.600 -0.004 0.000 1.050 87 K CA 2.216 58.501 56.287 -0.004 0.000 0.927 87 K CB -0.047 32.451 32.500 -0.003 0.000 0.714 87 K HN 0.209 nan 8.250 nan 0.000 0.447 88 E N -0.487 119.711 120.200 -0.003 0.000 2.045 88 E HA -0.066 4.284 4.350 0.000 0.000 0.190 88 E C 2.080 178.678 176.600 -0.003 0.000 0.968 88 E CA 0.815 57.214 56.400 -0.002 0.000 0.813 88 E CB 0.129 29.828 29.700 -0.001 0.000 0.780 88 E HN 0.057 nan 8.360 nan 0.000 0.455 89 V N -0.983 118.929 119.914 -0.003 0.000 2.521 89 V HA 0.203 4.323 4.120 0.000 0.000 0.239 89 V C 1.207 177.298 176.094 -0.005 0.000 1.053 89 V CA 1.929 64.226 62.300 -0.004 0.000 1.073 89 V CB 0.599 32.421 31.823 -0.003 0.000 0.746 89 V HN 0.542 nan 8.190 nan 0.000 0.476 90 G N -0.416 108.381 108.800 -0.005 0.000 3.141 90 G HA2 -0.179 3.781 3.960 0.000 0.000 0.205 90 G HA3 -0.179 3.781 3.960 0.000 0.000 0.205 90 G C -0.198 174.698 174.900 -0.006 0.000 1.924 90 G CA 0.025 45.121 45.100 -0.007 0.000 1.573 90 G HN 0.463 nan 8.290 nan 0.000 0.591 91 D N 2.830 123.227 120.400 -0.005 0.000 2.658 91 D HA 0.357 4.997 4.640 0.000 0.000 0.230 91 D C 1.352 177.649 176.300 -0.004 0.000 1.118 91 D CA 2.341 56.338 54.000 -0.005 0.000 0.848 91 D CB 0.136 40.934 40.800 -0.003 0.000 1.160 91 D HN 1.876 nan 8.370 nan 0.000 0.497 92 G N 2.624 111.420 108.800 -0.006 0.000 2.171 92 G HA2 -0.350 3.611 3.960 0.000 0.000 0.238 92 G HA3 -0.350 3.611 3.960 0.000 0.000 0.238 92 G C 1.199 176.095 174.900 -0.007 0.000 1.039 92 G CA 0.646 45.742 45.100 -0.007 0.000 0.759 92 G HN 0.553 nan 8.290 nan 0.000 0.501 93 T N -0.466 114.084 114.554 -0.006 0.000 2.536 93 T HA -0.294 4.056 4.350 0.000 0.000 0.263 93 T C 2.412 177.107 174.700 -0.008 0.000 1.115 93 T CA 2.722 64.818 62.100 -0.006 0.000 1.180 93 T CB -1.266 67.598 68.868 -0.006 0.000 0.864 93 T HN 0.718 nan 8.240 nan 0.000 0.419 94 T N 2.145 116.693 114.554 -0.010 0.000 2.656 94 T HA -0.276 4.074 4.350 0.000 0.000 0.262 94 T C 2.057 176.747 174.700 -0.017 0.000 1.070 94 T CA 2.432 64.524 62.100 -0.013 0.000 1.160 94 T CB -1.600 67.260 68.868 -0.014 0.000 0.855 94 T HN 0.640 nan 8.240 nan 0.000 0.456 95 T N 2.040 116.584 114.554 -0.016 0.000 2.496 95 T HA -0.049 4.301 4.350 0.000 0.000 0.254 95 T C 2.274 176.962 174.700 -0.020 0.000 1.161 95 T CA 1.711 63.800 62.100 -0.019 0.000 1.231 95 T CB -1.159 67.700 68.868 -0.014 0.000 0.866 95 T HN 0.530 nan 8.240 nan 0.000 0.396 96 A N 0.719 123.532 122.820 -0.012 0.000 1.885 96 A HA -0.278 4.043 4.320 0.000 0.000 0.260 96 A C 2.626 180.201 177.584 -0.015 0.000 2.398 96 A CA 3.672 55.705 52.037 -0.007 0.000 0.786 96 A CB -1.640 17.359 19.000 -0.001 0.000 0.834 96 A HN 0.877 nan 8.150 nan 0.000 0.548 97 V N -3.683 116.221 119.914 -0.017 0.000 2.949 97 V HA 0.093 4.213 4.120 0.000 0.000 0.245 97 V C 2.058 178.137 176.094 -0.024 0.000 1.086 97 V CA 1.626 63.916 62.300 -0.017 0.000 1.097 97 V CB -0.150 31.667 31.823 -0.010 0.000 0.762 97 V HN 0.272 nan 8.190 nan 0.000 0.470 98 V N 1.463 121.359 119.914 -0.030 0.000 2.255 98 V HA -0.113 4.007 4.120 0.000 0.000 0.243 98 V C 2.554 178.617 176.094 -0.051 0.000 1.038 98 V CA 2.281 64.560 62.300 -0.036 0.000 1.008 98 V CB 0.154 31.955 31.823 -0.036 0.000 0.645 98 V HN 0.643 nan 8.190 nan 0.000 0.449 99 V N -1.234 118.641 119.914 -0.065 0.000 3.590 99 V HA 0.206 4.326 4.120 0.000 0.000 0.272 99 V C 1.797 177.819 176.094 -0.120 0.000 1.233 99 V CA 1.265 63.503 62.300 -0.103 0.000 1.182 99 V CB -1.013 30.739 31.823 -0.120 0.000 0.901 99 V HN 0.348 nan 8.190 nan 0.000 0.485 100 A N 1.163 123.940 122.820 -0.072 0.000 1.911 100 A HA 0.369 4.689 4.320 0.000 0.000 0.212 100 A C 2.222 179.782 177.584 -0.041 0.000 1.189 100 A CA 1.131 53.139 52.037 -0.049 0.000 0.639 100 A CB -0.872 18.114 19.000 -0.024 0.000 0.839 100 A HN 0.657 nan 8.150 nan 0.000 0.449 101 G N -0.708 108.070 108.800 -0.038 0.000 2.539 101 G HA2 0.006 3.966 3.960 0.000 0.000 0.215 101 G HA3 0.006 3.966 3.960 0.000 0.000 0.215 101 G C 1.373 176.251 174.900 -0.036 0.000 1.141 101 G CA 1.060 46.142 45.100 -0.031 0.000 0.806 101 G HN 0.511 nan 8.290 nan 0.000 0.533 102 E N 0.142 120.312 120.200 -0.049 0.000 2.072 102 E HA -0.001 4.349 4.350 0.000 0.000 0.190 102 E C 2.125 178.693 176.600 -0.052 0.000 0.982 102 E CA 0.321 56.691 56.400 -0.051 0.000 0.803 102 E CB -0.352 29.306 29.700 -0.069 0.000 0.755 102 E HN 0.189 nan 8.360 nan 0.000 0.453 103 L N 0.383 121.560 121.223 -0.077 0.000 2.549 103 L HA -0.009 4.331 4.340 0.000 0.000 0.230 103 L C 1.638 178.507 176.870 -0.002 0.000 1.162 103 L CA 1.103 55.908 54.840 -0.058 0.000 0.834 103 L CB -0.167 41.814 42.059 -0.131 0.000 0.947 103 L HN 0.283 nan 8.230 nan 0.000 0.452 104 L N -1.528 119.681 121.223 -0.023 0.000 2.130 104 L HA -0.059 4.281 4.340 0.000 0.000 0.200 104 L C 2.600 179.454 176.870 -0.027 0.000 1.075 104 L CA 0.744 55.567 54.840 -0.028 0.000 0.768 104 L CB -0.554 41.489 42.059 -0.026 0.000 0.933 104 L HN 0.233 nan 8.230 nan 0.000 0.451 105 R N 0.771 121.257 120.500 -0.023 0.000 2.096 105 R HA -0.209 4.131 4.340 0.000 0.000 0.240 105 R C 2.208 178.501 176.300 -0.011 0.000 1.139 105 R CA 1.602 57.690 56.100 -0.020 0.000 0.952 105 R CB -0.055 30.233 30.300 -0.020 0.000 0.854 105 R HN 0.159 nan 8.270 nan 0.000 0.436 106 K N 0.144 120.544 120.400 0.001 0.000 2.103 106 K HA 0.006 4.326 4.320 0.000 0.000 0.204 106 K C 2.062 178.677 176.600 0.026 0.000 1.052 106 K CA 1.027 57.329 56.287 0.025 0.000 0.945 106 K CB -0.255 32.278 32.500 0.056 0.000 0.722 106 K HN 0.312 nan 8.250 nan 0.000 0.443 107 A N 1.642 124.461 122.820 -0.001 0.000 1.892 107 A HA -0.265 4.055 4.320 0.000 0.000 0.218 107 A C 2.091 179.637 177.584 -0.063 0.000 1.188 107 A CA 1.957 53.950 52.037 -0.074 0.000 0.631 107 A CB -0.580 18.325 19.000 -0.158 0.000 0.822 107 A HN 0.421 nan 8.150 nan 0.000 0.447 108 E N -0.520 119.654 120.200 -0.044 0.000 2.037 108 E HA -0.301 4.049 4.350 0.000 0.000 0.214 108 E C 1.857 178.442 176.600 -0.025 0.000 1.041 108 E CA 1.747 58.126 56.400 -0.035 0.000 0.872 108 E CB -0.288 29.395 29.700 -0.029 0.000 0.785 108 E HN 0.671 nan 8.360 nan 0.000 0.476 109 E N -0.549 119.644 120.200 -0.012 0.000 2.435 109 E HA -0.298 4.053 4.350 0.000 0.000 0.242 109 E C 2.118 178.716 176.600 -0.004 0.000 1.125 109 E CA 1.993 58.391 56.400 -0.003 0.000 1.067 109 E CB -0.472 29.235 29.700 0.012 0.000 0.903 109 E HN 0.419 nan 8.360 nan 0.000 0.466 110 L N -0.604 120.612 121.223 -0.012 0.000 2.537 110 L HA 0.061 4.401 4.340 0.000 0.000 0.224 110 L C 2.297 179.150 176.870 -0.027 0.000 1.065 110 L CA 0.004 54.837 54.840 -0.012 0.000 0.860 110 L CB -0.078 41.975 42.059 -0.011 0.000 1.086 110 L HN 0.036 nan 8.230 nan 0.000 0.482 111 L N -0.123 121.072 121.223 -0.047 0.000 2.447 111 L HA -0.170 4.170 4.340 0.000 0.000 0.225 111 L C 1.101 177.955 176.870 -0.027 0.000 1.148 111 L CA 1.076 55.886 54.840 -0.051 0.000 0.808 111 L CB -0.579 41.434 42.059 -0.077 0.000 0.928 111 L HN 0.296 nan 8.230 nan 0.000 0.448 112 D N -1.294 119.095 120.400 -0.019 0.000 2.398 112 D HA -0.039 4.602 4.640 0.000 0.000 0.210 112 D C 1.636 177.935 176.300 -0.002 0.000 1.094 112 D CA -0.007 53.988 54.000 -0.009 0.000 0.839 112 D CB 0.277 41.071 40.800 -0.010 0.000 0.963 112 D HN 0.187 nan 8.370 nan 0.000 0.506 113 Q N 1.282 121.081 119.800 -0.001 0.000 2.439 113 Q HA -0.129 4.211 4.340 0.000 0.000 0.211 113 Q C 1.029 177.035 176.000 0.010 0.000 0.978 113 Q CA 0.439 56.245 55.803 0.005 0.000 0.897 113 Q CB -0.489 28.254 28.738 0.008 0.000 0.956 113 Q HN 0.214 nan 8.270 nan 0.000 0.483 114 N N -1.004 117.702 118.700 0.010 0.000 2.909 114 N HA -0.225 4.515 4.740 0.000 0.000 0.230 114 N C -0.122 175.405 175.510 0.029 0.000 0.869 114 N CA 1.081 54.143 53.050 0.019 0.000 1.071 114 N CB -1.527 36.975 38.487 0.025 0.000 1.040 114 N HN 0.274 nan 8.380 nan 0.000 0.620 115 V N 0.902 120.828 119.914 0.020 0.000 2.442 115 V HA 0.081 4.201 4.120 0.000 0.000 0.272 115 V C 0.848 176.960 176.094 0.030 0.000 0.989 115 V CA 0.351 62.670 62.300 0.033 0.000 1.123 115 V CB -1.109 30.729 31.823 0.026 0.000 1.008 115 V HN 0.483 nan 8.190 nan 0.000 0.469 116 H N 7.096 126.162 119.070 -0.008 0.000 1.828 116 H HA -0.117 4.439 4.556 0.000 0.000 0.319 116 H C -0.955 174.364 175.328 -0.015 0.000 0.826 116 H CA 0.665 56.708 56.048 -0.008 0.000 1.059 116 H CB 0.093 29.852 29.762 -0.005 0.000 1.545 116 H HN 0.813 nan 8.280 nan 0.000 0.285 117 P HA -0.350 nan 4.420 nan 0.000 0.219 117 P C 1.618 178.818 177.300 -0.167 0.000 1.147 117 P CA 2.169 65.060 63.100 -0.348 0.000 0.821 117 P CB -0.107 31.308 31.700 -0.476 0.000 0.771 118 T N -2.488 112.038 114.554 -0.046 0.000 2.771 118 T HA -0.247 4.103 4.350 0.000 0.000 0.262 118 T C 1.846 176.585 174.700 0.065 0.000 1.027 118 T CA 1.516 63.691 62.100 0.125 0.000 1.159 118 T CB -0.951 68.104 68.868 0.311 0.000 0.844 118 T HN 0.062 nan 8.240 nan 0.000 0.478 119 I N -0.145 120.452 120.570 0.044 0.000 2.729 119 I HA 0.106 4.276 4.170 0.000 0.000 0.256 119 I C 2.736 178.866 176.117 0.022 0.000 1.115 119 I CA 0.483 61.808 61.300 0.042 0.000 1.446 119 I CB -0.656 37.369 38.000 0.043 0.000 1.176 119 I HN 0.213 nan 8.210 nan 0.000 0.446 120 V N 1.868 121.758 119.914 -0.040 0.000 2.313 120 V HA -0.284 3.836 4.120 0.000 0.000 0.253 120 V C 2.544 178.548 176.094 -0.150 0.000 1.070 120 V CA 2.779 65.000 62.300 -0.132 0.000 1.057 120 V CB -0.223 31.439 31.823 -0.269 0.000 0.653 120 V HN 0.359 nan 8.190 nan 0.000 0.450 121 V N -2.672 117.196 119.914 -0.077 0.000 2.535 121 V HA -0.075 4.046 4.120 0.000 0.000 0.246 121 V C 2.409 178.556 176.094 0.089 0.000 1.045 121 V CA 1.965 64.263 62.300 -0.003 0.000 1.058 121 V CB -0.973 30.845 31.823 -0.008 0.000 0.689 121 V HN 0.431 nan 8.190 nan 0.000 0.461 122 K N 1.551 121.996 120.400 0.076 0.000 2.097 122 K HA 0.014 4.334 4.320 0.000 0.000 0.206 122 K C 2.166 178.835 176.600 0.115 0.000 1.049 122 K CA 1.640 57.975 56.287 0.080 0.000 0.933 122 K CB -0.981 31.556 32.500 0.062 0.000 0.717 122 K HN 0.573 nan 8.250 nan 0.000 0.442 123 G N -0.393 108.517 108.800 0.183 0.000 2.511 123 G HA2 -0.265 3.695 3.960 0.000 0.000 0.216 123 G HA3 -0.265 3.695 3.960 0.000 0.000 0.216 123 G C 1.062 176.082 174.900 0.200 0.000 1.218 123 G CA 0.987 46.231 45.100 0.241 0.000 0.788 123 G HN 0.280 nan 8.290 nan 0.000 0.560 124 Y N 2.056 122.358 120.300 0.002 0.000 2.569 124 Y HA -0.099 4.451 4.550 0.000 0.000 0.293 124 Y C 3.110 178.923 175.900 -0.145 0.000 1.144 124 Y CA 1.239 59.317 58.100 -0.037 0.000 1.321 124 Y CB -0.255 38.300 38.460 0.158 0.000 0.982 124 Y HN 0.558 nan 8.280 nan 0.000 0.558 125 Q N -0.973 118.861 119.800 0.057 0.000 2.096 125 Q HA -0.015 4.325 4.340 0.000 0.000 0.197 125 Q C 2.102 178.057 176.000 -0.075 0.000 0.964 125 Q CA 1.292 57.089 55.803 -0.011 0.000 0.838 125 Q CB -0.475 28.284 28.738 0.035 0.000 0.906 125 Q HN 0.268 nan 8.270 nan 0.000 0.444 126 A N 0.635 123.423 122.820 -0.052 0.000 2.218 126 A HA 0.456 4.776 4.320 0.000 0.000 0.209 126 A C 2.006 179.494 177.584 -0.161 0.000 1.168 126 A CA 0.574 52.579 52.037 -0.053 0.000 0.804 126 A CB -0.109 18.920 19.000 0.048 0.000 0.834 126 A HN 0.472 nan 8.150 nan 0.000 0.482 127 A N -0.944 121.704 122.820 -0.287 0.000 2.251 127 A HA 0.543 4.864 4.320 0.000 0.000 0.209 127 A C 1.897 179.054 177.584 -0.712 0.000 1.187 127 A CA 1.076 52.801 52.037 -0.520 0.000 0.823 127 A CB -0.274 18.396 19.000 -0.550 0.000 0.846 127 A HN 0.769 nan 8.150 nan 0.000 0.486 128 A N -0.544 121.964 122.820 -0.520 0.000 2.035 128 A HA 0.144 4.464 4.320 0.000 0.000 0.208 128 A C 1.930 179.383 177.584 -0.219 0.000 1.206 128 A CA 0.806 52.620 52.037 -0.373 0.000 0.773 128 A CB -0.158 18.726 19.000 -0.193 0.000 0.878 128 A HN 0.507 nan 8.150 nan 0.000 0.469 129 Q N 0.346 120.031 119.800 -0.192 0.000 1.967 129 Q HA -0.146 4.194 4.340 0.000 0.000 0.202 129 Q C 1.844 177.730 176.000 -0.190 0.000 0.985 129 Q CA 1.342 57.055 55.803 -0.149 0.000 0.839 129 Q CB -0.293 28.391 28.738 -0.091 0.000 0.906 129 Q HN 0.245 nan 8.270 nan 0.000 0.423 130 K N 1.076 121.303 120.400 -0.288 0.000 2.005 130 K HA -0.305 4.015 4.320 0.000 0.000 0.229 130 K C 2.184 178.613 176.600 -0.284 0.000 1.050 130 K CA 1.920 57.975 56.287 -0.387 0.000 0.994 130 K CB -1.101 30.955 32.500 -0.741 0.000 0.736 130 K HN 0.319 nan 8.250 nan 0.000 0.448 131 A N 1.485 124.130 122.820 -0.292 0.000 2.030 131 A HA -0.333 3.987 4.320 0.000 0.000 0.226 131 A C 2.116 179.626 177.584 -0.123 0.000 1.282 131 A CA 2.580 54.505 52.037 -0.186 0.000 0.691 131 A CB -0.634 18.281 19.000 -0.141 0.000 0.829 131 A HN 0.515 nan 8.150 nan 0.000 0.497 132 Q N -0.865 118.863 119.800 -0.120 0.000 2.046 132 Q HA -0.143 4.197 4.340 0.000 0.000 0.200 132 Q C 1.779 177.736 176.000 -0.072 0.000 0.975 132 Q CA 1.832 57.586 55.803 -0.081 0.000 0.836 132 Q CB -0.350 28.343 28.738 -0.075 0.000 0.896 132 Q HN 0.899 nan 8.270 nan 0.000 0.428 133 E N 0.264 120.404 120.200 -0.100 0.000 2.489 133 E HA -0.013 4.338 4.350 0.000 0.000 0.193 133 E C 1.622 178.178 176.600 -0.073 0.000 1.057 133 E CA 0.145 56.496 56.400 -0.082 0.000 0.866 133 E CB 0.144 29.789 29.700 -0.091 0.000 0.916 133 E HN 0.276 nan 8.360 nan 0.000 0.500 134 L N -1.856 119.317 121.223 -0.084 0.000 2.515 134 L HA 0.153 4.493 4.340 0.000 0.000 0.223 134 L C 1.991 178.834 176.870 -0.045 0.000 1.079 134 L CA 0.189 54.988 54.840 -0.067 0.000 0.857 134 L CB -0.291 41.724 42.059 -0.073 0.000 1.050 134 L HN -0.031 nan 8.230 nan 0.000 0.476 135 L N 0.747 121.946 121.223 -0.041 0.000 2.056 135 L HA -0.103 4.237 4.340 0.000 0.000 0.207 135 L C 2.483 179.344 176.870 -0.016 0.000 1.078 135 L CA 1.348 56.173 54.840 -0.025 0.000 0.749 135 L CB -0.596 41.451 42.059 -0.019 0.000 0.901 135 L HN 0.252 nan 8.230 nan 0.000 0.433 136 K N -0.122 120.265 120.400 -0.020 0.000 2.218 136 K HA -0.165 4.156 4.320 0.000 0.000 0.205 136 K C 1.886 178.481 176.600 -0.008 0.000 1.046 136 K CA 1.864 58.142 56.287 -0.014 0.000 0.933 136 K CB -0.587 31.904 32.500 -0.016 0.000 0.728 136 K HN 0.495 nan 8.250 nan 0.000 0.454 137 T N -1.224 113.326 114.554 -0.007 0.000 3.023 137 T HA 0.113 4.463 4.350 0.000 0.000 0.249 137 T C 1.912 176.621 174.700 0.015 0.000 1.050 137 T CA 0.086 62.186 62.100 0.001 0.000 1.088 137 T CB -0.307 68.559 68.868 -0.004 0.000 0.946 137 T HN 0.328 nan 8.240 nan 0.000 0.480 138 I N 0.485 121.067 120.570 0.020 0.000 2.617 138 I HA 0.382 4.552 4.170 0.000 0.000 0.256 138 I C 1.492 177.632 176.117 0.038 0.000 1.167 138 I CA -0.012 61.316 61.300 0.047 0.000 1.469 138 I CB -1.239 36.790 38.000 0.049 0.000 1.098 138 I HN 0.174 nan 8.210 nan 0.000 0.436 139 A N 3.027 125.859 122.820 0.020 0.000 2.488 139 A HA -0.057 4.263 4.320 0.000 0.000 0.285 139 A C 0.716 178.310 177.584 0.017 0.000 1.059 139 A CA 0.630 52.676 52.037 0.015 0.000 0.977 139 A CB -1.651 17.353 19.000 0.007 0.000 0.908 139 A HN 0.748 nan 8.150 nan 0.000 0.514 140 C N 3.581 122.893 119.300 0.020 0.000 2.303 140 C HA 0.631 5.091 4.460 0.000 0.000 0.341 140 C C 0.104 175.099 174.990 0.008 0.000 1.244 140 C CA -1.146 57.880 59.018 0.015 0.000 1.765 140 C CB -0.212 27.537 27.740 0.014 0.000 2.379 140 C HN 0.756 nan 8.230 nan 0.000 0.530 141 E N 2.051 122.254 120.200 0.005 0.000 2.301 141 E HA 0.573 4.923 4.350 0.000 0.000 0.275 141 E C -0.707 175.893 176.600 0.001 0.000 1.030 141 E CA -0.416 55.985 56.400 0.003 0.000 0.852 141 E CB 2.035 31.737 29.700 0.002 0.000 1.060 141 E HN 0.703 nan 8.360 nan 0.000 0.401 142 V N 1.321 121.235 119.914 0.001 0.000 2.812 142 V HA 0.357 4.477 4.120 0.000 0.000 0.280 142 V C -0.373 175.721 176.094 -0.000 0.000 1.324 142 V CA 0.277 62.578 62.300 0.000 0.000 0.933 142 V CB 1.158 32.981 31.823 0.000 0.000 1.091 142 V HN 0.933 nan 8.190 nan 0.000 0.455 143 G N 5.115 113.915 108.800 -0.001 0.000 2.978 143 G HA2 0.143 4.104 3.960 0.000 0.000 0.343 143 G HA3 0.143 4.104 3.960 0.000 0.000 0.343 143 G C 0.922 175.821 174.900 -0.001 0.000 0.161 143 G CA 0.226 45.325 45.100 -0.001 0.000 1.238 143 G HN 2.273 nan 8.290 nan 0.000 0.578 144 A N 1.965 124.784 122.820 -0.002 0.000 2.095 144 A HA 0.309 4.629 4.320 0.000 0.000 0.212 144 A C 1.794 179.376 177.584 -0.003 0.000 1.162 144 A CA 1.555 53.590 52.037 -0.002 0.000 0.753 144 A CB 0.085 19.083 19.000 -0.003 0.000 0.840 144 A HN 1.234 nan 8.150 nan 0.000 0.468 145 Q N -0.327 119.471 119.800 -0.004 0.000 2.129 145 Q HA 0.295 4.636 4.340 0.000 0.000 0.274 145 Q C -1.066 174.932 176.000 -0.004 0.000 0.854 145 Q CA -0.582 55.218 55.803 -0.004 0.000 1.123 145 Q CB -0.196 28.539 28.738 -0.006 0.000 1.226 145 Q HN 0.197 nan 8.270 nan 0.000 0.454 146 D N 2.358 122.756 120.400 -0.003 0.000 2.531 146 D HA -0.091 4.550 4.640 0.000 0.000 0.239 146 D C 1.004 177.303 176.300 -0.002 0.000 1.144 146 D CA 0.522 54.521 54.000 -0.002 0.000 0.869 146 D CB 1.042 41.840 40.800 -0.002 0.000 1.160 146 D HN 0.306 nan 8.370 nan 0.000 0.484 147 K N 3.496 123.895 120.400 -0.002 0.000 2.015 147 K HA -0.286 4.034 4.320 0.000 0.000 0.216 147 K C 1.624 178.224 176.600 -0.001 0.000 1.052 147 K CA 1.702 57.987 56.287 -0.002 0.000 0.937 147 K CB -0.039 32.460 32.500 -0.002 0.000 0.719 147 K HN 0.634 nan 8.250 nan 0.000 0.446 148 E N 0.803 121.002 120.200 -0.001 0.000 2.038 148 E HA -0.218 4.132 4.350 0.000 0.000 0.195 148 E C 2.145 178.746 176.600 0.001 0.000 1.000 148 E CA 1.915 58.315 56.400 0.000 0.000 0.803 148 E CB -0.336 29.364 29.700 -0.000 0.000 0.750 148 E HN 0.600 nan 8.360 nan 0.000 0.448 149 I N -1.004 119.567 120.570 0.001 0.000 3.001 149 I HA -0.135 4.035 4.170 0.000 0.000 0.268 149 I C 1.965 178.083 176.117 0.001 0.000 1.267 149 I CA 0.490 61.791 61.300 0.001 0.000 1.472 149 I CB -0.048 37.953 38.000 0.001 0.000 1.089 149 I HN 0.047 nan 8.210 nan 0.000 0.468 150 L N 1.601 122.825 121.223 0.000 0.000 2.017 150 L HA -0.138 4.202 4.340 0.000 0.000 0.208 150 L C 2.773 179.643 176.870 0.001 0.000 1.073 150 L CA 2.561 57.400 54.840 -0.000 0.000 0.745 150 L CB -1.109 40.948 42.059 -0.002 0.000 0.894 150 L HN 0.626 nan 8.230 nan 0.000 0.432 151 T N -4.466 110.089 114.554 0.001 0.000 3.148 151 T HA -0.057 4.293 4.350 0.000 0.000 0.253 151 T C 1.710 176.413 174.700 0.005 0.000 1.134 151 T CA 0.709 62.811 62.100 0.003 0.000 1.051 151 T CB -0.009 68.860 68.868 0.002 0.000 0.959 151 T HN 0.200 nan 8.240 nan 0.000 0.525 152 K N 0.059 120.462 120.400 0.005 0.000 2.399 152 K HA 0.331 4.651 4.320 0.000 0.000 0.196 152 K C 1.696 178.301 176.600 0.009 0.000 1.117 152 K CA -0.016 56.276 56.287 0.008 0.000 0.965 152 K CB 0.306 32.810 32.500 0.007 0.000 0.983 152 K HN 0.196 nan 8.250 nan 0.000 0.531 153 I N 1.186 121.759 120.570 0.006 0.000 2.546 153 I HA -0.065 4.105 4.170 0.000 0.000 0.255 153 I C 2.240 178.359 176.117 0.004 0.000 1.163 153 I CA 1.022 62.325 61.300 0.005 0.000 1.457 153 I CB -1.222 36.779 38.000 0.003 0.000 1.092 153 I HN 0.089 nan 8.210 nan 0.000 0.434 154 A N 1.974 124.796 122.820 0.003 0.000 1.969 154 A HA -0.189 4.131 4.320 0.000 0.000 0.218 154 A C 2.466 180.054 177.584 0.006 0.000 1.169 154 A CA 1.495 53.534 52.037 0.003 0.000 0.635 154 A CB -0.537 18.464 19.000 0.001 0.000 0.810 154 A HN 0.535 nan 8.150 nan 0.000 0.445 155 M N -0.907 118.698 119.600 0.009 0.000 2.163 155 M HA -0.184 4.296 4.480 0.000 0.000 0.258 155 M C 1.729 178.039 176.300 0.017 0.000 1.071 155 M CA 2.733 58.041 55.300 0.014 0.000 1.093 155 M CB -1.307 31.302 32.600 0.015 0.000 1.285 155 M HN 0.132 nan 8.290 nan 0.000 0.420 156 T N 0.582 115.146 114.554 0.017 0.000 3.077 156 T HA -0.040 4.310 4.350 0.000 0.000 0.269 156 T C 1.814 176.522 174.700 0.012 0.000 1.146 156 T CA 1.250 63.360 62.100 0.017 0.000 1.091 156 T CB -0.299 68.579 68.868 0.016 0.000 0.892 156 T HN 0.549 nan 8.240 nan 0.000 0.533 157 S N 0.971 116.677 115.700 0.009 0.000 2.371 157 S HA 0.129 4.599 4.470 0.000 0.000 0.224 157 S C 1.303 175.906 174.600 0.006 0.000 1.029 157 S CA 0.499 58.702 58.200 0.005 0.000 0.978 157 S CB -0.116 63.085 63.200 0.002 0.000 0.833 157 S HN 0.514 nan 8.310 nan 0.000 0.466 158 I N 2.572 123.148 120.570 0.009 0.000 3.600 158 I HA 0.071 4.242 4.170 0.000 0.000 0.300 158 I C 0.444 176.574 176.117 0.022 0.000 1.284 158 I CA 0.006 61.314 61.300 0.013 0.000 1.259 158 I CB -0.859 37.149 38.000 0.013 0.000 1.081 158 I HN 0.146 nan 8.210 nan 0.000 0.465 159 T N -1.476 113.092 114.554 0.023 0.000 2.812 159 T HA 0.607 4.957 4.350 0.000 0.000 0.282 159 T C 0.580 175.298 174.700 0.031 0.000 0.990 159 T CA -0.012 62.109 62.100 0.035 0.000 0.960 159 T CB 1.773 70.663 68.868 0.037 0.000 0.948 159 T HN 0.507 nan 8.240 nan 0.000 0.438 160 G N 2.826 111.654 108.800 0.045 0.000 2.165 160 G HA2 -0.151 3.809 3.960 0.000 0.000 0.226 160 G HA3 -0.151 3.809 3.960 0.000 0.000 0.226 160 G C -0.232 174.687 174.900 0.032 0.000 1.035 160 G CA 0.220 45.343 45.100 0.038 0.000 0.744 160 G HN 0.929 nan 8.290 nan 0.000 0.501 161 K N -1.622 118.799 120.400 0.035 0.000 2.409 161 K HA 0.665 4.985 4.320 0.000 0.000 0.252 161 K C 1.316 177.937 176.600 0.035 0.000 1.036 161 K CA -0.658 55.647 56.287 0.030 0.000 0.871 161 K CB 1.209 33.719 32.500 0.018 0.000 1.374 161 K HN 0.253 nan 8.250 nan 0.000 0.459 162 G N -0.270 108.550 108.800 0.034 0.000 2.920 162 G HA2 0.124 4.084 3.960 0.000 0.000 0.208 162 G HA3 0.124 4.084 3.960 0.000 0.000 0.208 162 G C 0.537 175.455 174.900 0.030 0.000 1.159 162 G CA 0.483 45.605 45.100 0.037 0.000 0.784 162 G HN 0.498 nan 8.290 nan 0.000 0.535 163 A N 0.366 123.202 122.820 0.026 0.000 2.569 163 A HA 0.411 4.731 4.320 0.000 0.000 0.284 163 A C 1.328 178.924 177.584 0.019 0.000 0.948 163 A CA 0.687 52.736 52.037 0.020 0.000 1.007 163 A CB 0.010 19.020 19.000 0.017 0.000 1.232 163 A HN 0.358 nan 8.150 nan 0.000 0.530 164 E N 0.676 120.892 120.200 0.027 0.000 2.219 164 E HA -0.236 4.114 4.350 0.000 0.000 0.198 164 E C 1.314 177.925 176.600 0.019 0.000 0.998 164 E CA 1.644 58.063 56.400 0.031 0.000 0.818 164 E CB -0.019 29.712 29.700 0.052 0.000 0.741 164 E HN 0.241 nan 8.360 nan 0.000 0.477 165 K N 0.186 120.591 120.400 0.010 0.000 2.262 165 K HA 0.169 4.489 4.320 0.000 0.000 0.200 165 K C 1.827 178.426 176.600 -0.001 0.000 1.049 165 K CA 0.940 57.225 56.287 -0.003 0.000 0.979 165 K CB -0.048 32.440 32.500 -0.019 0.000 0.773 165 K HN 0.251 nan 8.250 nan 0.000 0.474 166 A N 2.184 125.007 122.820 0.004 0.000 2.255 166 A HA -0.115 4.205 4.320 0.000 0.000 0.206 166 A C 1.862 179.450 177.584 0.006 0.000 1.193 166 A CA 0.832 52.872 52.037 0.005 0.000 0.794 166 A CB -0.566 18.438 19.000 0.007 0.000 0.794 166 A HN 0.421 nan 8.150 nan 0.000 0.481 167 K N 0.426 120.831 120.400 0.008 0.000 2.160 167 K HA -0.246 4.074 4.320 0.000 0.000 0.206 167 K C 1.588 178.192 176.600 0.007 0.000 1.047 167 K CA 1.818 58.111 56.287 0.009 0.000 0.930 167 K CB -0.281 32.228 32.500 0.015 0.000 0.720 167 K HN 0.483 nan 8.250 nan 0.000 0.450 168 E N 0.885 121.087 120.200 0.005 0.000 2.038 168 E HA -0.229 4.122 4.350 0.000 0.000 0.195 168 E C 1.906 178.508 176.600 0.003 0.000 1.000 168 E CA 1.452 57.854 56.400 0.003 0.000 0.803 168 E CB 0.063 29.764 29.700 0.001 0.000 0.750 168 E HN 0.171 nan 8.360 nan 0.000 0.448 169 K N 0.309 120.712 120.400 0.003 0.000 2.062 169 K HA -0.009 4.311 4.320 0.000 0.000 0.205 169 K C 1.991 178.594 176.600 0.004 0.000 1.051 169 K CA 1.073 57.362 56.287 0.004 0.000 0.941 169 K CB -0.289 32.214 32.500 0.005 0.000 0.719 169 K HN 0.203 nan 8.250 nan 0.000 0.440 170 L N -0.489 120.737 121.223 0.004 0.000 2.275 170 L HA -0.018 4.322 4.340 0.000 0.000 0.215 170 L C 1.968 178.839 176.870 0.002 0.000 1.119 170 L CA 1.070 55.913 54.840 0.003 0.000 0.790 170 L CB -0.380 41.681 42.059 0.004 0.000 0.919 170 L HN 0.077 nan 8.230 nan 0.000 0.443 171 A N -0.643 122.179 122.820 0.003 0.000 2.267 171 A HA -0.038 4.282 4.320 0.000 0.000 0.213 171 A C 2.203 179.787 177.584 0.000 0.000 1.192 171 A CA 0.313 52.351 52.037 0.002 0.000 0.851 171 A CB -0.089 18.913 19.000 0.003 0.000 0.881 171 A HN 0.442 nan 8.150 nan 0.000 0.494 172 E N 1.102 121.302 120.200 0.001 0.000 2.024 172 E HA -0.136 4.214 4.350 0.000 0.000 0.190 172 E C 2.074 178.673 176.600 -0.001 0.000 0.974 172 E CA 1.082 57.482 56.400 0.000 0.000 0.810 172 E CB -0.459 29.241 29.700 0.001 0.000 0.775 172 E HN 0.555 nan 8.360 nan 0.000 0.453 173 I N 1.702 122.273 120.570 0.000 0.000 2.141 173 I HA -0.362 3.808 4.170 0.000 0.000 0.243 173 I C 2.658 178.773 176.117 -0.005 0.000 1.035 173 I CA 2.526 63.825 61.300 -0.001 0.000 1.302 173 I CB -1.182 36.819 38.000 0.001 0.000 1.006 173 I HN 0.397 nan 8.210 nan 0.000 0.413 174 I N 0.054 120.620 120.570 -0.005 0.000 2.286 174 I HA -0.151 4.019 4.170 0.000 0.000 0.248 174 I C 2.394 178.506 176.117 -0.008 0.000 1.115 174 I CA 1.596 62.891 61.300 -0.008 0.000 1.392 174 I CB -0.834 37.163 38.000 -0.006 0.000 1.065 174 I HN 0.165 nan 8.210 nan 0.000 0.418 175 V N 1.575 121.485 119.914 -0.006 0.000 2.871 175 V HA -0.107 4.014 4.120 0.000 0.000 0.256 175 V C 2.412 178.501 176.094 -0.009 0.000 1.082 175 V CA 1.571 63.867 62.300 -0.007 0.000 1.105 175 V CB -0.719 31.101 31.823 -0.004 0.000 0.713 175 V HN 0.451 nan 8.190 nan 0.000 0.473 176 E N 0.465 120.660 120.200 -0.008 0.000 2.216 176 E HA -0.024 4.327 4.350 0.000 0.000 0.192 176 E C 2.282 178.873 176.600 -0.014 0.000 0.988 176 E CA 0.985 57.379 56.400 -0.010 0.000 0.834 176 E CB -0.103 29.593 29.700 -0.007 0.000 0.772 176 E HN 0.598 nan 8.360 nan 0.000 0.479 177 A N 0.844 123.655 122.820 -0.015 0.000 1.930 177 A HA -0.057 4.263 4.320 0.000 0.000 0.215 177 A C 2.344 179.915 177.584 -0.022 0.000 1.176 177 A CA 0.789 52.814 52.037 -0.019 0.000 0.632 177 A CB -0.112 18.877 19.000 -0.018 0.000 0.819 177 A HN 0.088 nan 8.150 nan 0.000 0.445 178 V N -0.976 118.927 119.914 -0.019 0.000 2.825 178 V HA -0.047 4.073 4.120 0.000 0.000 0.246 178 V C 2.342 178.424 176.094 -0.020 0.000 1.068 178 V CA 1.725 64.014 62.300 -0.019 0.000 1.088 178 V CB -0.034 31.780 31.823 -0.015 0.000 0.733 178 V HN 0.462 nan 8.190 nan 0.000 0.468 179 S N 0.243 115.932 115.700 -0.018 0.000 2.603 179 S HA 0.099 4.569 4.470 0.000 0.000 0.229 179 S C 1.861 176.446 174.600 -0.025 0.000 0.972 179 S CA 0.907 59.096 58.200 -0.018 0.000 0.935 179 S CB -0.012 63.179 63.200 -0.014 0.000 0.769 179 S HN 0.601 nan 8.310 nan 0.000 0.536 180 A N 0.621 123.423 122.820 -0.030 0.000 2.115 180 A HA 0.189 4.510 4.320 0.000 0.000 0.211 180 A C 2.161 179.713 177.584 -0.054 0.000 1.169 180 A CA 0.649 52.661 52.037 -0.043 0.000 0.787 180 A CB -0.385 18.590 19.000 -0.042 0.000 0.858 180 A HN 0.439 nan 8.150 nan 0.000 0.474 181 V N -1.988 117.900 119.914 -0.042 0.000 2.302 181 V HA 0.029 4.150 4.120 0.000 0.000 0.243 181 V C 1.483 177.554 176.094 -0.038 0.000 1.036 181 V CA 0.925 63.199 62.300 -0.043 0.000 1.020 181 V CB -1.408 30.395 31.823 -0.033 0.000 0.657 181 V HN 0.248 nan 8.190 nan 0.000 0.453 182 V N 4.095 123.992 119.914 -0.028 0.000 2.678 182 V HA 0.045 4.166 4.120 0.000 0.000 0.304 182 V C -0.315 175.766 176.094 -0.021 0.000 1.086 182 V CA 0.924 63.211 62.300 -0.022 0.000 1.246 182 V CB -0.698 31.115 31.823 -0.016 0.000 0.861 182 V HN 1.027 nan 8.190 nan 0.000 0.491 183 D N 4.193 124.585 120.400 -0.014 0.000 2.308 183 D HA 0.512 5.153 4.640 0.000 0.000 0.242 183 D C -0.188 176.110 176.300 -0.004 0.000 1.059 183 D CA -0.544 53.451 54.000 -0.008 0.000 0.830 183 D CB 1.401 42.200 40.800 -0.001 0.000 1.161 183 D HN 0.597 nan 8.370 nan 0.000 0.494 184 D N 1.154 121.552 120.400 -0.003 0.000 2.809 184 D HA -0.206 4.434 4.640 0.000 0.000 0.234 184 D C -0.601 175.698 176.300 -0.003 0.000 1.111 184 D CA 0.609 54.609 54.000 -0.001 0.000 0.726 184 D CB -0.754 40.046 40.800 0.001 0.000 1.089 184 D HN 0.703 nan 8.370 nan 0.000 0.436 185 E N 0.011 120.208 120.200 -0.004 0.000 1.701 185 E HA -0.079 4.271 4.350 0.000 0.000 0.353 185 E C 0.944 177.541 176.600 -0.004 0.000 0.620 185 E CA 1.638 58.036 56.400 -0.005 0.000 1.322 185 E CB -0.810 28.887 29.700 -0.005 0.000 0.440 185 E HN 0.947 nan 8.360 nan 0.000 0.397 186 G N 3.733 112.531 108.800 -0.004 0.000 2.157 186 G HA2 -0.189 3.771 3.960 0.000 0.000 0.118 186 G HA3 -0.189 3.771 3.960 0.000 0.000 0.118 186 G C -0.021 174.877 174.900 -0.004 0.000 1.032 186 G CA 0.035 45.133 45.100 -0.004 0.000 0.697 186 G HN 0.492 nan 8.290 nan 0.000 0.495 187 K N 0.137 120.534 120.400 -0.004 0.000 2.800 187 K HA 0.449 4.769 4.320 0.000 0.000 0.275 187 K C -0.734 175.863 176.600 -0.006 0.000 1.294 187 K CA -0.384 55.900 56.287 -0.004 0.000 1.014 187 K CB 1.446 33.944 32.500 -0.003 0.000 1.380 187 K HN 0.164 nan 8.250 nan 0.000 0.543 188 V N 2.023 121.933 119.914 -0.007 0.000 2.409 188 V HA 0.467 4.587 4.120 0.000 0.000 0.291 188 V C -0.779 175.309 176.094 -0.010 0.000 1.020 188 V CA -0.711 61.584 62.300 -0.009 0.000 0.848 188 V CB 1.685 33.502 31.823 -0.010 0.000 0.990 188 V HN 0.486 nan 8.190 nan 0.000 0.430 189 D N 3.519 123.912 120.400 -0.012 0.000 2.620 189 D HA 0.384 5.025 4.640 0.000 0.000 0.252 189 D C 0.578 176.870 176.300 -0.014 0.000 1.207 189 D CA -0.536 53.457 54.000 -0.012 0.000 0.884 189 D CB 2.263 43.056 40.800 -0.011 0.000 1.262 189 D HN 0.417 nan 8.370 nan 0.000 0.552 190 K N 1.152 121.544 120.400 -0.014 0.000 2.005 190 K HA -0.060 4.260 4.320 0.000 0.000 0.206 190 K C 0.830 177.419 176.600 -0.019 0.000 1.044 190 K CA 0.346 56.624 56.287 -0.015 0.000 0.942 190 K CB 0.174 32.666 32.500 -0.014 0.000 0.727 190 K HN 0.172 nan 8.250 nan 0.000 0.439 191 D N 1.603 121.992 120.400 -0.018 0.000 2.397 191 D HA -0.134 4.506 4.640 0.000 0.000 0.219 191 D C 1.567 177.853 176.300 -0.023 0.000 0.975 191 D CA 0.615 54.603 54.000 -0.020 0.000 0.940 191 D CB 0.072 40.862 40.800 -0.017 0.000 0.884 191 D HN 0.185 nan 8.370 nan 0.000 0.505 192 L N -1.758 119.451 121.223 -0.023 0.000 2.354 192 L HA 0.195 4.535 4.340 0.000 0.000 0.212 192 L C 0.711 177.562 176.870 -0.032 0.000 1.091 192 L CA 0.659 55.483 54.840 -0.026 0.000 0.828 192 L CB -1.071 40.974 42.059 -0.023 0.000 0.973 192 L HN -0.103 nan 8.230 nan 0.000 0.461 193 I N 2.520 123.072 120.570 -0.030 0.000 2.282 193 I HA 0.256 4.426 4.170 0.000 0.000 0.290 193 I C 0.430 176.526 176.117 -0.036 0.000 1.090 193 I CA -0.047 61.234 61.300 -0.032 0.000 1.231 193 I CB 0.592 38.575 38.000 -0.027 0.000 1.434 193 I HN 0.125 nan 8.210 nan 0.000 0.487 194 K N 7.277 127.650 120.400 -0.044 0.000 2.154 194 K HA 0.581 4.901 4.320 0.000 0.000 0.264 194 K C -0.543 176.026 176.600 -0.051 0.000 1.008 194 K CA -0.575 55.681 56.287 -0.051 0.000 0.937 194 K CB 1.138 33.598 32.500 -0.066 0.000 1.002 194 K HN 0.663 nan 8.250 nan 0.000 0.469 195 I N 0.870 121.410 120.570 -0.050 0.000 2.563 195 I HA 0.334 4.505 4.170 0.000 0.000 0.276 195 I C -1.057 175.031 176.117 -0.049 0.000 1.074 195 I CA -0.927 60.347 61.300 -0.044 0.000 1.124 195 I CB 1.546 39.526 38.000 -0.034 0.000 1.225 195 I HN 0.412 nan 8.210 nan 0.000 0.482 196 E N 5.340 125.502 120.200 -0.062 0.000 2.156 196 E HA 0.564 4.915 4.350 0.000 0.000 0.279 196 E C -1.161 175.410 176.600 -0.048 0.000 0.965 196 E CA -0.626 55.731 56.400 -0.072 0.000 0.789 196 E CB 1.164 30.792 29.700 -0.120 0.000 1.098 196 E HN 0.516 nan 8.360 nan 0.000 0.397 197 K N 3.719 124.100 120.400 -0.032 0.000 2.358 197 K HA 0.648 4.968 4.320 0.000 0.000 0.260 197 K C -0.796 175.804 176.600 0.000 0.000 0.956 197 K CA -0.890 55.390 56.287 -0.011 0.000 0.834 197 K CB 1.563 34.061 32.500 -0.004 0.000 1.102 197 K HN 0.135 nan 8.250 nan 0.000 0.431 198 K N 0.931 121.339 120.400 0.014 0.000 2.546 198 K HA 0.379 4.700 4.320 0.000 0.000 0.264 198 K C -1.109 175.512 176.600 0.034 0.000 0.937 198 K CA -0.598 55.705 56.287 0.027 0.000 0.833 198 K CB 2.304 34.827 32.500 0.038 0.000 1.378 198 K HN 0.764 nan 8.250 nan 0.000 0.432 199 S N -0.018 115.703 115.700 0.035 0.000 2.523 199 S HA 0.661 5.131 4.470 0.000 0.000 0.275 199 S C 0.493 175.114 174.600 0.034 0.000 1.281 199 S CA -0.205 58.014 58.200 0.032 0.000 1.050 199 S CB 0.912 64.129 63.200 0.028 0.000 0.937 199 S HN 0.804 nan 8.310 nan 0.000 0.492 200 G N 0.672 109.490 108.800 0.030 0.000 2.328 200 G HA2 0.545 4.505 3.960 0.000 0.000 0.244 200 G HA3 0.545 4.505 3.960 0.000 0.000 0.244 200 G C -0.409 174.508 174.900 0.028 0.000 1.317 200 G CA -0.158 44.960 45.100 0.029 0.000 1.261 200 G HN 1.450 nan 8.290 nan 0.000 0.648 201 A N -0.742 122.091 122.820 0.023 0.000 2.332 201 A HA 0.993 5.313 4.320 0.000 0.000 0.293 201 A C -0.164 177.430 177.584 0.017 0.000 1.014 201 A CA 0.720 52.770 52.037 0.022 0.000 0.566 201 A CB 0.319 19.331 19.000 0.021 0.000 1.483 201 A HN 1.991 nan 8.150 nan 0.000 0.603 202 S N -1.924 113.785 115.700 0.016 0.000 3.132 202 S HA 0.646 5.116 4.470 0.000 0.000 0.322 202 S C 0.704 175.312 174.600 0.014 0.000 1.124 202 S CA 0.044 58.252 58.200 0.013 0.000 0.906 202 S CB 0.443 63.649 63.200 0.009 0.000 1.349 202 S HN 1.074 nan 8.310 nan 0.000 0.686 203 I N 0.555 121.132 120.570 0.011 0.000 3.291 203 I HA 0.130 4.300 4.170 0.000 0.000 0.279 203 I C 0.203 176.326 176.117 0.010 0.000 1.294 203 I CA 0.993 62.300 61.300 0.011 0.000 1.428 203 I CB -0.922 37.083 38.000 0.009 0.000 1.070 203 I HN 0.420 nan 8.210 nan 0.000 0.478 204 D N -0.063 120.344 120.400 0.011 0.000 2.461 204 D HA -0.037 4.604 4.640 0.000 0.000 0.266 204 D C 0.891 177.199 176.300 0.013 0.000 1.085 204 D CA -0.096 53.910 54.000 0.010 0.000 0.887 204 D CB 0.035 40.839 40.800 0.007 0.000 1.309 204 D HN -0.029 nan 8.370 nan 0.000 0.498 205 D N 1.383 121.793 120.400 0.016 0.000 2.346 205 D HA -0.006 4.634 4.640 0.000 0.000 0.248 205 D C 0.097 176.414 176.300 0.028 0.000 1.173 205 D CA 0.483 54.496 54.000 0.022 0.000 0.878 205 D CB -0.435 40.380 40.800 0.024 0.000 0.919 205 D HN 0.240 nan 8.370 nan 0.000 0.513 206 T N -1.024 113.544 114.554 0.023 0.000 2.761 206 T HA 0.322 4.673 4.350 0.000 0.000 0.296 206 T C 0.152 174.866 174.700 0.023 0.000 0.934 206 T CA -0.777 61.337 62.100 0.023 0.000 1.091 206 T CB 1.127 70.004 68.868 0.015 0.000 0.896 206 T HN 0.175 nan 8.240 nan 0.000 0.515 207 E N 2.986 123.204 120.200 0.029 0.000 2.264 207 E HA 0.611 4.961 4.350 0.000 0.000 0.260 207 E C -1.253 175.361 176.600 0.024 0.000 0.961 207 E CA -1.370 55.049 56.400 0.032 0.000 0.834 207 E CB 1.478 31.207 29.700 0.048 0.000 1.230 207 E HN 0.468 nan 8.360 nan 0.000 0.412 208 L N 2.449 123.685 121.223 0.022 0.000 2.384 208 L HA 0.319 4.660 4.340 0.000 0.000 0.261 208 L C -0.569 176.314 176.870 0.021 0.000 1.024 208 L CA -0.568 54.280 54.840 0.013 0.000 0.899 208 L CB 0.864 42.926 42.059 0.004 0.000 1.243 208 L HN 0.601 nan 8.230 nan 0.000 0.449 209 I N 0.889 121.475 120.570 0.027 0.000 2.372 209 I HA 0.194 4.365 4.170 0.000 0.000 0.298 209 I C 0.501 176.628 176.117 0.015 0.000 1.137 209 I CA -0.290 61.035 61.300 0.042 0.000 1.314 209 I CB 0.107 38.149 38.000 0.071 0.000 1.444 209 I HN 0.523 nan 8.210 nan 0.000 0.541 210 K N 5.410 125.818 120.400 0.013 0.000 3.251 210 K HA 0.034 4.354 4.320 0.000 0.000 0.257 210 K C 0.683 177.283 176.600 0.001 0.000 0.681 210 K CA 0.329 56.617 56.287 0.002 0.000 0.963 210 K CB -0.596 31.900 32.500 -0.006 0.000 0.883 210 K HN 0.947 nan 8.250 nan 0.000 0.426 211 G N -1.032 107.764 108.800 -0.006 0.000 3.021 211 G HA2 0.616 4.576 3.960 0.000 0.000 0.290 211 G HA3 0.616 4.576 3.960 0.000 0.000 0.290 211 G C -1.335 173.538 174.900 -0.045 0.000 1.291 211 G CA -0.570 44.523 45.100 -0.011 0.000 0.834 211 G HN 0.002 nan 8.290 nan 0.000 0.564 212 V N -0.262 119.612 119.914 -0.067 0.000 3.012 212 V HA 0.577 4.697 4.120 0.000 0.000 0.307 212 V C -1.060 174.935 176.094 -0.165 0.000 1.166 212 V CA -0.583 61.646 62.300 -0.119 0.000 0.974 212 V CB 2.090 33.822 31.823 -0.151 0.000 1.040 212 V HN 0.683 nan 8.190 nan 0.000 0.428 213 L N 4.197 125.288 121.223 -0.221 0.000 2.377 213 L HA 0.739 5.079 4.340 0.000 0.000 0.270 213 L C -0.441 176.279 176.870 -0.250 0.000 0.991 213 L CA -0.523 54.114 54.840 -0.338 0.000 0.851 213 L CB 1.512 43.268 42.059 -0.506 0.000 1.218 213 L HN 0.734 nan 8.230 nan 0.000 0.420 214 V N 0.435 120.224 119.914 -0.207 0.000 3.193 214 V HA 0.584 4.704 4.120 0.000 0.000 0.320 214 V C -0.378 175.674 176.094 -0.069 0.000 1.112 214 V CA -0.597 61.617 62.300 -0.143 0.000 1.026 214 V CB 1.959 33.679 31.823 -0.172 0.000 1.128 214 V HN 0.697 nan 8.190 nan 0.000 0.452 215 D N 1.075 121.459 120.400 -0.026 0.000 3.018 215 D HA 0.262 4.902 4.640 0.000 0.000 0.331 215 D C -0.344 175.987 176.300 0.053 0.000 1.334 215 D CA -0.360 53.647 54.000 0.011 0.000 0.900 215 D CB 0.076 40.877 40.800 0.001 0.000 1.059 215 D HN 0.638 nan 8.370 nan 0.000 0.498 216 K N 0.950 121.412 120.400 0.103 0.000 2.159 216 K HA 0.418 4.738 4.320 0.000 0.000 0.266 216 K C 0.081 176.760 176.600 0.132 0.000 0.975 216 K CA -0.611 55.770 56.287 0.156 0.000 0.865 216 K CB 2.546 35.145 32.500 0.166 0.000 1.087 216 K HN 0.232 nan 8.250 nan 0.000 0.446 217 E N 1.388 121.641 120.200 0.089 0.000 2.281 217 E HA 0.317 4.667 4.350 0.000 0.000 0.257 217 E C -0.726 175.896 176.600 0.037 0.000 0.971 217 E CA -0.897 55.539 56.400 0.060 0.000 0.839 217 E CB 1.616 31.343 29.700 0.046 0.000 1.238 217 E HN 0.226 nan 8.360 nan 0.000 0.412 218 R N 1.812 122.325 120.500 0.022 0.000 2.239 218 R HA 0.169 4.509 4.340 0.000 0.000 0.332 218 R C 0.919 177.216 176.300 -0.005 0.000 0.988 218 R CA -0.249 55.848 56.100 -0.005 0.000 0.859 218 R CB 1.043 31.342 30.300 -0.002 0.000 1.148 218 R HN 0.428 nan 8.270 nan 0.000 0.482 219 V N 1.935 121.841 119.914 -0.013 0.000 2.308 219 V HA -0.361 3.760 4.120 0.000 0.000 0.252 219 V C 0.969 177.062 176.094 -0.000 0.000 1.066 219 V CA 2.217 64.513 62.300 -0.006 0.000 1.104 219 V CB -0.176 31.641 31.823 -0.011 0.000 0.786 219 V HN 0.716 nan 8.190 nan 0.000 0.473 220 S N -1.960 113.737 115.700 -0.005 0.000 2.472 220 S HA 0.630 5.100 4.470 0.000 0.000 0.303 220 S C 0.773 175.372 174.600 -0.002 0.000 1.099 220 S CA -0.186 58.014 58.200 0.001 0.000 1.077 220 S CB 1.683 64.881 63.200 -0.003 0.000 1.031 220 S HN 0.630 nan 8.310 nan 0.000 0.487 221 A N 3.676 126.501 122.820 0.008 0.000 2.024 221 A HA -0.126 4.195 4.320 0.000 0.000 0.220 221 A C 1.907 179.491 177.584 0.000 0.000 1.164 221 A CA 1.809 53.851 52.037 0.008 0.000 0.643 221 A CB -0.654 18.356 19.000 0.018 0.000 0.806 221 A HN 0.820 nan 8.150 nan 0.000 0.451 222 Q N -0.968 118.826 119.800 -0.009 0.000 2.378 222 Q HA 0.166 4.506 4.340 0.000 0.000 0.205 222 Q C 0.493 176.474 176.000 -0.032 0.000 0.954 222 Q CA 0.254 56.039 55.803 -0.029 0.000 0.901 222 Q CB -0.257 28.438 28.738 -0.072 0.000 0.981 222 Q HN 0.700 nan 8.270 nan 0.000 0.483 223 M N 1.873 121.456 119.600 -0.028 0.000 2.188 223 M HA 0.202 4.682 4.480 0.000 0.000 0.354 223 M C -2.025 174.261 176.300 -0.023 0.000 1.342 223 M CA -1.847 53.435 55.300 -0.031 0.000 1.117 223 M CB 0.705 33.284 32.600 -0.036 0.000 1.670 223 M HN -0.173 nan 8.290 nan 0.000 0.466 224 P HA -0.166 nan 4.420 nan 0.000 0.263 224 P C -0.205 177.087 177.300 -0.013 0.000 1.145 224 P CA 0.718 63.808 63.100 -0.016 0.000 0.755 224 P CB 0.394 32.084 31.700 -0.016 0.000 0.746 225 K N 3.459 123.854 120.400 -0.007 0.000 2.577 225 K HA 0.191 4.511 4.320 0.000 0.000 0.210 225 K C 0.075 176.676 176.600 0.001 0.000 1.048 225 K CA 0.333 56.620 56.287 -0.001 0.000 1.188 225 K CB -0.157 32.343 32.500 -0.000 0.000 0.910 225 K HN 0.317 nan 8.250 nan 0.000 0.483 226 K N 0.214 120.614 120.400 0.000 0.000 2.545 226 K HA 0.126 4.446 4.320 0.000 0.000 0.291 226 K C -1.683 174.919 176.600 0.003 0.000 1.093 226 K CA -0.156 56.132 56.287 0.002 0.000 1.012 226 K CB 1.128 33.625 32.500 -0.005 0.000 1.354 226 K HN -0.218 nan 8.250 nan 0.000 0.460 227 V N 2.615 122.536 119.914 0.012 0.000 2.555 227 V HA 0.333 4.454 4.120 0.000 0.000 0.302 227 V C 1.363 177.467 176.094 0.018 0.000 1.038 227 V CA -0.637 61.669 62.300 0.012 0.000 0.887 227 V CB 1.540 33.369 31.823 0.009 0.000 0.991 227 V HN 0.923 nan 8.190 nan 0.000 0.434 228 T N 1.883 116.444 114.554 0.012 0.000 2.577 228 T HA -0.030 4.320 4.350 0.000 0.000 0.241 228 T C 0.087 174.799 174.700 0.019 0.000 1.163 228 T CA 0.729 62.837 62.100 0.013 0.000 1.401 228 T CB -0.186 68.686 68.868 0.007 0.000 0.956 228 T HN 0.629 nan 8.240 nan 0.000 0.397 229 D N 1.766 122.176 120.400 0.017 0.000 2.454 229 D HA 0.664 5.304 4.640 0.000 0.000 0.225 229 D C -0.749 175.564 176.300 0.021 0.000 1.081 229 D CA -0.153 53.860 54.000 0.021 0.000 0.864 229 D CB 1.039 41.851 40.800 0.019 0.000 1.040 229 D HN 0.701 nan 8.370 nan 0.000 0.517 230 A N 2.556 125.394 122.820 0.030 0.000 2.312 230 A HA 0.624 4.944 4.320 0.000 0.000 0.328 230 A C -0.168 177.438 177.584 0.037 0.000 1.158 230 A CA -0.854 51.202 52.037 0.032 0.000 0.821 230 A CB 0.756 19.783 19.000 0.045 0.000 1.170 230 A HN 0.341 nan 8.150 nan 0.000 0.490 231 K N 2.092 122.510 120.400 0.030 0.000 2.432 231 K HA 0.412 4.732 4.320 0.000 0.000 0.226 231 K C -0.991 175.634 176.600 0.042 0.000 1.057 231 K CA -0.002 56.304 56.287 0.033 0.000 1.034 231 K CB 0.389 32.902 32.500 0.021 0.000 1.561 231 K HN 0.584 nan 8.250 nan 0.000 0.492 232 I N 2.000 122.614 120.570 0.074 0.000 2.813 232 I HA 0.073 4.243 4.170 0.000 0.000 0.287 232 I C 0.395 176.570 176.117 0.097 0.000 1.196 232 I CA 0.505 61.874 61.300 0.115 0.000 1.421 232 I CB 0.775 38.900 38.000 0.208 0.000 1.365 232 I HN 0.528 nan 8.210 nan 0.000 0.591 233 A N 6.508 129.388 122.820 0.100 0.000 2.393 233 A HA 0.795 5.115 4.320 0.000 0.000 0.306 233 A C -1.289 176.369 177.584 0.123 0.000 1.050 233 A CA -0.545 51.541 52.037 0.082 0.000 0.724 233 A CB 0.905 19.928 19.000 0.038 0.000 1.248 233 A HN 0.471 nan 8.150 nan 0.000 0.424 234 L N 3.572 124.856 121.223 0.101 0.000 2.262 234 L HA 0.458 4.798 4.340 0.000 0.000 0.288 234 L C -0.345 176.569 176.870 0.073 0.000 1.035 234 L CA -0.143 54.760 54.840 0.106 0.000 0.820 234 L CB 1.486 43.594 42.059 0.081 0.000 1.204 234 L HN 0.681 nan 8.230 nan 0.000 0.424 235 L N 2.891 124.162 121.223 0.080 0.000 2.343 235 L HA 0.551 4.892 4.340 0.000 0.000 0.278 235 L C -0.340 176.562 176.870 0.053 0.000 0.996 235 L CA -0.147 54.727 54.840 0.057 0.000 0.831 235 L CB 1.629 43.714 42.059 0.043 0.000 1.232 235 L HN 0.632 nan 8.230 nan 0.000 0.413 236 N N 3.777 122.500 118.700 0.039 0.000 2.591 236 N HA 0.018 4.759 4.740 0.000 0.000 0.200 236 N C 0.369 175.897 175.510 0.029 0.000 1.040 236 N CA 0.396 53.466 53.050 0.033 0.000 0.911 236 N CB 0.177 38.679 38.487 0.025 0.000 1.259 236 N HN 0.686 nan 8.380 nan 0.000 0.438 237 C N 1.746 121.061 119.300 0.025 0.000 2.534 237 C HA 0.698 5.158 4.460 0.000 0.000 0.385 237 C C 0.334 175.339 174.990 0.024 0.000 1.264 237 C CA 0.167 59.198 59.018 0.022 0.000 2.342 237 C CB -0.661 27.090 27.740 0.018 0.000 2.564 237 C HN 0.686 nan 8.230 nan 0.000 0.603 238 A N 4.566 127.399 122.820 0.022 0.000 1.900 238 A HA -0.206 4.114 4.320 0.000 0.000 0.251 238 A C 0.056 177.653 177.584 0.023 0.000 1.334 238 A CA 0.650 52.700 52.037 0.021 0.000 0.728 238 A CB -1.419 17.591 19.000 0.018 0.000 1.197 238 A HN 0.851 nan 8.150 nan 0.000 0.278 239 I N 0.893 121.477 120.570 0.024 0.000 3.862 239 I HA 0.171 4.341 4.170 0.000 0.000 0.328 239 I C 0.826 176.959 176.117 0.027 0.000 1.474 239 I CA 1.027 62.343 61.300 0.027 0.000 1.215 239 I CB -0.085 37.932 38.000 0.029 0.000 1.183 239 I HN 0.684 nan 8.210 nan 0.000 0.413 240 E N 0.548 120.762 120.200 0.023 0.000 2.182 240 E HA 0.544 4.894 4.350 0.000 0.000 0.258 240 E C -0.943 175.670 176.600 0.020 0.000 0.879 240 E CA -0.623 55.790 56.400 0.021 0.000 0.754 240 E CB 1.350 31.061 29.700 0.017 0.000 1.162 240 E HN -0.051 nan 8.360 nan 0.000 0.419 241 E N 2.265 122.478 120.200 0.022 0.000 2.460 241 E HA 0.306 4.656 4.350 0.000 0.000 0.277 241 E C -0.959 175.653 176.600 0.020 0.000 1.010 241 E CA -1.062 55.351 56.400 0.022 0.000 0.838 241 E CB 1.560 31.275 29.700 0.025 0.000 1.448 241 E HN 0.484 nan 8.360 nan 0.000 0.462 242 T N 1.037 115.603 114.554 0.019 0.000 2.863 242 T HA 0.512 4.862 4.350 0.000 0.000 0.299 242 T C 0.323 175.035 174.700 0.019 0.000 0.973 242 T CA 0.028 62.137 62.100 0.016 0.000 0.994 242 T CB -0.239 68.636 68.868 0.011 0.000 0.961 242 T HN 0.640 nan 8.240 nan 0.000 0.552 243 A N 3.373 126.203 122.820 0.018 0.000 2.722 243 A HA 0.128 4.448 4.320 0.000 0.000 0.276 243 A C 1.114 178.718 177.584 0.032 0.000 1.918 243 A CA 0.961 53.010 52.037 0.019 0.000 2.138 243 A CB -1.141 17.860 19.000 0.001 0.000 1.300 243 A HN 1.809 nan 8.150 nan 0.000 0.567 244 S N -0.433 115.296 115.700 0.048 0.000 3.613 244 S HA -0.264 4.206 4.470 0.000 0.000 0.631 244 S C 1.204 175.862 174.600 0.097 0.000 2.436 244 S CA 1.934 60.179 58.200 0.076 0.000 3.105 244 S CB -1.738 61.495 63.200 0.055 0.000 0.305 244 S HN 2.038 nan 8.310 nan 0.000 1.433 245 E N 0.210 120.456 120.200 0.077 0.000 2.464 245 E HA -0.362 3.989 4.350 0.000 0.000 0.250 245 E C 1.945 178.576 176.600 0.050 0.000 1.063 245 E CA 2.786 59.220 56.400 0.058 0.000 1.155 245 E CB -0.384 29.337 29.700 0.034 0.000 1.041 245 E HN 0.679 nan 8.360 nan 0.000 0.495 246 M N 0.117 119.742 119.600 0.042 0.000 2.595 246 M HA 0.028 4.508 4.480 0.000 0.000 0.248 246 M C 1.693 178.017 176.300 0.040 0.000 1.119 246 M CA 0.751 56.071 55.300 0.032 0.000 1.079 246 M CB 0.328 32.942 32.600 0.023 0.000 1.472 246 M HN 0.229 nan 8.290 nan 0.000 0.501 247 L N 0.042 121.301 121.223 0.061 0.000 2.515 247 L HA 0.247 4.587 4.340 0.000 0.000 0.223 247 L C 2.059 179.000 176.870 0.117 0.000 1.079 247 L CA 1.147 56.033 54.840 0.076 0.000 0.857 247 L CB -0.441 41.660 42.059 0.070 0.000 1.050 247 L HN 0.305 nan 8.230 nan 0.000 0.476 248 K N -0.260 120.226 120.400 0.143 0.000 1.991 248 K HA -0.153 4.167 4.320 0.000 0.000 0.207 248 K C 1.453 178.049 176.600 -0.008 0.000 1.045 248 K CA 1.688 58.044 56.287 0.116 0.000 0.937 248 K CB -0.131 32.424 32.500 0.093 0.000 0.720 248 K HN 0.197 nan 8.250 nan 0.000 0.438 249 D N 0.504 120.895 120.400 -0.014 0.000 2.315 249 D HA -0.161 4.479 4.640 0.000 0.000 0.211 249 D C 1.618 177.913 176.300 -0.009 0.000 0.977 249 D CA 1.075 55.060 54.000 -0.025 0.000 0.894 249 D CB 0.058 40.848 40.800 -0.017 0.000 0.910 249 D HN 0.275 nan 8.370 nan 0.000 0.490 250 M N -0.816 118.791 119.600 0.012 0.000 2.447 250 M HA -0.066 4.414 4.480 0.000 0.000 0.264 250 M C 1.719 178.029 176.300 0.016 0.000 1.095 250 M CA 0.345 55.654 55.300 0.015 0.000 1.125 250 M CB 0.520 33.136 32.600 0.026 0.000 1.389 250 M HN -0.084 nan 8.290 nan 0.000 0.459 251 V N -0.338 119.593 119.914 0.027 0.000 2.255 251 V HA -0.154 3.966 4.120 0.000 0.000 0.243 251 V C 2.540 178.622 176.094 -0.019 0.000 1.038 251 V CA 1.771 64.086 62.300 0.025 0.000 1.008 251 V CB -1.668 30.213 31.823 0.097 0.000 0.645 251 V HN 0.490 nan 8.190 nan 0.000 0.449 252 A N -0.409 122.373 122.820 -0.064 0.000 1.971 252 A HA -0.343 3.977 4.320 0.000 0.000 0.222 252 A C 2.271 179.827 177.584 -0.047 0.000 1.182 252 A CA 2.309 54.299 52.037 -0.079 0.000 0.649 252 A CB -0.629 18.298 19.000 -0.121 0.000 0.818 252 A HN 0.589 nan 8.150 nan 0.000 0.458 253 E N -0.002 120.180 120.200 -0.029 0.000 2.058 253 E HA -0.192 4.158 4.350 0.000 0.000 0.194 253 E C 1.945 178.537 176.600 -0.014 0.000 0.997 253 E CA 1.698 58.087 56.400 -0.018 0.000 0.801 253 E CB -0.302 29.391 29.700 -0.011 0.000 0.746 253 E HN 0.835 nan 8.360 nan 0.000 0.450 254 I N -0.616 119.947 120.570 -0.011 0.000 2.614 254 I HA -0.150 4.020 4.170 0.000 0.000 0.258 254 I C 2.373 178.482 176.117 -0.013 0.000 1.189 254 I CA 1.012 62.307 61.300 -0.009 0.000 1.462 254 I CB -0.275 37.722 38.000 -0.005 0.000 1.092 254 I HN -0.096 nan 8.210 nan 0.000 0.442 255 K N 1.833 122.221 120.400 -0.020 0.000 2.356 255 K HA 0.202 4.522 4.320 0.000 0.000 0.195 255 K C 2.156 178.743 176.600 -0.021 0.000 1.037 255 K CA 0.801 57.074 56.287 -0.023 0.000 1.014 255 K CB 0.112 32.593 32.500 -0.030 0.000 0.815 255 K HN 0.280 nan 8.250 nan 0.000 0.507 256 A N 0.444 123.252 122.820 -0.021 0.000 1.873 256 A HA -0.098 4.222 4.320 0.000 0.000 0.215 256 A C 2.037 179.613 177.584 -0.013 0.000 1.186 256 A CA 1.663 53.689 52.037 -0.018 0.000 0.616 256 A CB -0.894 18.094 19.000 -0.020 0.000 0.823 256 A HN 0.320 nan 8.150 nan 0.000 0.442 257 S N -1.444 114.250 115.700 -0.009 0.000 2.572 257 S HA 0.009 4.479 4.470 0.000 0.000 0.241 257 S C 1.694 176.291 174.600 -0.004 0.000 1.130 257 S CA 1.911 60.108 58.200 -0.005 0.000 1.516 257 S CB -0.613 62.586 63.200 -0.002 0.000 1.155 257 S HN 0.869 nan 8.310 nan 0.000 0.401 258 G N -1.245 107.553 108.800 -0.003 0.000 2.532 258 G HA2 0.485 4.445 3.960 0.000 0.000 0.198 258 G HA3 0.485 4.445 3.960 0.000 0.000 0.198 258 G C -0.056 174.842 174.900 -0.003 0.000 1.301 258 G CA 0.528 45.628 45.100 -0.001 0.000 0.651 258 G HN 0.748 nan 8.290 nan 0.000 0.972 259 A N 1.971 124.787 122.820 -0.006 0.000 2.506 259 A HA 0.452 4.772 4.320 0.000 0.000 0.320 259 A C 1.195 178.767 177.584 -0.020 0.000 1.424 259 A CA -0.009 52.022 52.037 -0.010 0.000 1.044 259 A CB -0.059 18.933 19.000 -0.012 0.000 1.140 259 A HN 0.328 nan 8.150 nan 0.000 0.538 260 N N 1.930 120.620 118.700 -0.018 0.000 2.512 260 N HA -0.045 4.695 4.740 0.000 0.000 0.183 260 N C -0.246 175.234 175.510 -0.049 0.000 1.073 260 N CA 1.270 54.304 53.050 -0.026 0.000 0.911 260 N CB -0.098 38.379 38.487 -0.018 0.000 0.964 260 N HN 0.287 nan 8.380 nan 0.000 0.447 261 V N -0.011 119.869 119.914 -0.058 0.000 2.777 261 V HA 0.530 4.650 4.120 0.000 0.000 0.306 261 V C -1.098 174.909 176.094 -0.145 0.000 1.112 261 V CA -0.982 61.243 62.300 -0.125 0.000 0.917 261 V CB 1.830 33.609 31.823 -0.073 0.000 1.018 261 V HN 0.131 nan 8.190 nan 0.000 0.426 262 L N 4.023 125.048 121.223 -0.329 0.000 2.482 262 L HA 0.784 5.124 4.340 0.000 0.000 0.263 262 L C -2.020 174.591 176.870 -0.431 0.000 0.957 262 L CA -0.190 54.516 54.840 -0.223 0.000 0.836 262 L CB 2.281 44.274 42.059 -0.111 0.000 1.324 262 L HN 0.572 nan 8.230 nan 0.000 0.406 263 F N 3.519 123.478 119.950 0.015 0.000 2.460 263 F HA 0.465 4.992 4.527 0.000 0.000 0.341 263 F C -0.128 175.679 175.800 0.012 0.000 1.130 263 F CA -0.748 57.260 58.000 0.013 0.000 0.962 263 F CB 1.508 40.515 39.000 0.011 0.000 1.171 263 F HN 0.475 nan 8.300 nan 0.000 0.436 264 C N 2.293 121.676 119.300 0.139 0.000 2.264 264 C HA 0.420 4.880 4.460 0.000 0.000 0.324 264 C C 1.424 176.464 174.990 0.082 0.000 1.267 264 C CA -0.782 58.288 59.018 0.086 0.000 1.618 264 C CB 0.612 28.382 27.740 0.050 0.000 2.278 264 C HN 1.060 nan 8.230 nan 0.000 0.499 265 Q N 2.190 122.030 119.800 0.067 0.000 2.020 265 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 265 Q C 0.919 176.943 176.000 0.040 0.000 0.982 265 Q CA 1.372 57.205 55.803 0.049 0.000 0.838 265 Q CB 0.169 28.928 28.738 0.035 0.000 0.899 265 Q HN 0.708 nan 8.270 nan 0.000 0.423 266 K N 0.526 120.947 120.400 0.035 0.000 2.107 266 K HA 0.293 4.613 4.320 0.000 0.000 0.251 266 K C 0.165 176.784 176.600 0.032 0.000 1.012 266 K CA 0.262 56.566 56.287 0.030 0.000 0.920 266 K CB 0.544 33.059 32.500 0.025 0.000 1.033 266 K HN 0.300 nan 8.250 nan 0.000 0.478 267 G N 0.283 109.099 108.800 0.026 0.000 2.588 267 G HA2 0.536 4.496 3.960 0.000 0.000 0.281 267 G HA3 0.536 4.496 3.960 0.000 0.000 0.281 267 G C -0.227 174.687 174.900 0.023 0.000 1.236 267 G CA -0.715 44.399 45.100 0.025 0.000 0.969 267 G HN 0.462 nan 8.290 nan 0.000 0.504 268 I N -0.401 120.180 120.570 0.019 0.000 2.474 268 I HA 0.302 4.472 4.170 0.000 0.000 0.294 268 I C -1.001 175.124 176.117 0.013 0.000 1.005 268 I CA -0.788 60.522 61.300 0.017 0.000 1.113 268 I CB 2.216 40.224 38.000 0.013 0.000 1.289 268 I HN 0.328 nan 8.210 nan 0.000 0.436 269 D N 3.727 124.135 120.400 0.014 0.000 2.225 269 D HA 0.139 4.779 4.640 0.000 0.000 0.249 269 D C 0.686 176.984 176.300 -0.003 0.000 1.052 269 D CA -0.103 53.901 54.000 0.007 0.000 0.909 269 D CB 1.221 42.027 40.800 0.010 0.000 1.186 269 D HN 0.498 nan 8.370 nan 0.000 0.431 270 D N 2.421 122.812 120.400 -0.014 0.000 2.855 270 D HA -0.331 4.309 4.640 0.000 0.000 0.242 270 D C 2.125 178.394 176.300 -0.053 0.000 1.105 270 D CA 1.162 55.143 54.000 -0.032 0.000 0.977 270 D CB -0.778 39.996 40.800 -0.043 0.000 1.241 270 D HN 0.430 nan 8.370 nan 0.000 0.500 271 L N 0.255 121.429 121.223 -0.082 0.000 2.195 271 L HA -0.351 3.989 4.340 0.000 0.000 0.225 271 L C 2.277 179.029 176.870 -0.196 0.000 1.096 271 L CA 2.267 57.022 54.840 -0.142 0.000 0.814 271 L CB -0.266 41.687 42.059 -0.176 0.000 0.901 271 L HN 0.249 nan 8.230 nan 0.000 0.446 272 A N -1.935 120.852 122.820 -0.054 0.000 2.220 272 A HA -0.029 4.291 4.320 0.000 0.000 0.211 272 A C 1.895 179.510 177.584 0.053 0.000 1.176 272 A CA 0.378 52.441 52.037 0.043 0.000 0.834 272 A CB -0.036 19.014 19.000 0.084 0.000 0.868 272 A HN 0.591 nan 8.150 nan 0.000 0.488 273 Q N -0.650 119.160 119.800 0.017 0.000 1.993 273 Q HA -0.208 4.133 4.340 0.000 0.000 0.202 273 Q C 2.002 178.011 176.000 0.014 0.000 0.984 273 Q CA 1.487 57.298 55.803 0.014 0.000 0.837 273 Q CB -0.632 28.113 28.738 0.011 0.000 0.902 273 Q HN 0.789 nan 8.270 nan 0.000 0.423 274 H N -0.177 118.829 119.070 -0.107 0.000 2.489 274 H HA -0.145 4.411 4.556 0.000 0.000 0.295 274 H C 1.135 176.380 175.328 -0.137 0.000 1.082 274 H CA 1.207 57.165 56.048 -0.151 0.000 1.295 274 H CB 0.223 29.843 29.762 -0.235 0.000 1.380 274 H HN 0.275 nan 8.280 nan 0.000 0.548 275 Y N 1.190 121.482 120.300 -0.013 0.000 2.118 275 Y HA -0.268 4.282 4.550 0.000 0.000 0.260 275 Y C 3.002 178.856 175.900 -0.077 0.000 1.087 275 Y CA 1.142 59.213 58.100 -0.048 0.000 1.075 275 Y CB -1.328 37.127 38.460 -0.008 0.000 0.995 275 Y HN 0.130 nan 8.280 nan 0.000 0.475 276 L N 0.052 121.355 121.223 0.133 0.000 2.488 276 L HA -0.448 3.892 4.340 0.000 0.000 0.235 276 L C 1.859 178.728 176.870 -0.001 0.000 1.170 276 L CA 2.896 57.760 54.840 0.040 0.000 0.810 276 L CB -1.649 40.424 42.059 0.024 0.000 1.014 276 L HN 0.273 nan 8.230 nan 0.000 0.417 277 A N -0.630 122.172 122.820 -0.030 0.000 2.238 277 A HA 0.003 4.324 4.320 0.000 0.000 0.208 277 A C 2.179 179.713 177.584 -0.083 0.000 1.177 277 A CA 0.995 52.999 52.037 -0.056 0.000 0.804 277 A CB -0.397 18.567 19.000 -0.060 0.000 0.823 277 A HN 0.658 nan 8.150 nan 0.000 0.482 278 K N -0.317 120.036 120.400 -0.077 0.000 2.393 278 K HA 0.070 4.391 4.320 0.000 0.000 0.193 278 K C 0.843 177.427 176.600 -0.027 0.000 1.026 278 K CA 0.754 56.997 56.287 -0.074 0.000 1.064 278 K CB 0.144 32.600 32.500 -0.074 0.000 0.833 278 K HN 0.572 nan 8.250 nan 0.000 0.521 279 E N -1.876 118.313 120.200 -0.019 0.000 2.541 279 E HA 0.148 4.498 4.350 0.000 0.000 0.219 279 E C 0.689 177.277 176.600 -0.020 0.000 0.922 279 E CA 0.437 56.825 56.400 -0.019 0.000 1.095 279 E CB 1.528 31.216 29.700 -0.020 0.000 1.112 279 E HN 0.363 nan 8.360 nan 0.000 0.516 280 G N 1.988 110.774 108.800 -0.023 0.000 2.545 280 G HA2 -0.191 3.770 3.960 0.000 0.000 0.195 280 G HA3 -0.191 3.770 3.960 0.000 0.000 0.195 280 G C 0.264 175.147 174.900 -0.027 0.000 1.009 280 G CA -0.227 44.859 45.100 -0.023 0.000 0.703 280 G HN 0.160 nan 8.290 nan 0.000 0.479 281 I N 2.921 123.473 120.570 -0.030 0.000 2.421 281 I HA 0.532 4.702 4.170 0.000 0.000 0.291 281 I C 1.355 177.439 176.117 -0.056 0.000 1.089 281 I CA -1.047 60.228 61.300 -0.041 0.000 1.354 281 I CB 0.753 38.731 38.000 -0.037 0.000 1.413 281 I HN 0.249 nan 8.210 nan 0.000 0.513 282 V N 3.472 123.340 119.914 -0.077 0.000 3.287 282 V HA 0.743 4.864 4.120 0.000 0.000 0.306 282 V C 0.413 176.412 176.094 -0.157 0.000 1.103 282 V CA -0.097 62.141 62.300 -0.105 0.000 1.159 282 V CB 0.882 32.635 31.823 -0.117 0.000 1.036 282 V HN 1.087 nan 8.190 nan 0.000 0.487 283 A N 2.560 125.282 122.820 -0.164 0.000 2.577 283 A HA 0.876 5.196 4.320 0.000 0.000 0.297 283 A C -0.484 177.006 177.584 -0.156 0.000 1.060 283 A CA -0.286 51.636 52.037 -0.192 0.000 0.697 283 A CB 1.229 20.173 19.000 -0.094 0.000 1.281 283 A HN 2.412 nan 8.150 nan 0.000 0.402 284 A N 1.974 124.694 122.820 -0.167 0.000 2.304 284 A HA 0.755 5.075 4.320 0.000 0.000 0.314 284 A C 0.270 177.886 177.584 0.055 0.000 1.187 284 A CA -0.362 51.674 52.037 -0.002 0.000 0.810 284 A CB 0.543 19.626 19.000 0.138 0.000 1.183 284 A HN 1.317 nan 8.150 nan 0.000 0.487 285 R N 2.064 122.593 120.500 0.048 0.000 2.603 285 R HA 0.416 4.757 4.340 0.000 0.000 0.231 285 R C -0.274 176.060 176.300 0.056 0.000 1.263 285 R CA -0.801 55.326 56.100 0.045 0.000 1.102 285 R CB 0.296 30.613 30.300 0.027 0.000 1.527 285 R HN 0.544 nan 8.270 nan 0.000 0.554 286 R N 0.958 121.483 120.500 0.042 0.000 3.327 286 R HA -0.056 4.284 4.340 0.000 0.000 0.153 286 R C -0.351 175.975 176.300 0.045 0.000 1.276 286 R CA 0.323 56.447 56.100 0.039 0.000 1.085 286 R CB -1.574 28.743 30.300 0.028 0.000 1.463 286 R HN 0.275 nan 8.270 nan 0.000 0.581 287 V N 2.782 122.735 119.914 0.064 0.000 2.493 287 V HA -0.056 4.064 4.120 0.000 0.000 0.292 287 V C 1.127 177.245 176.094 0.040 0.000 1.016 287 V CA 0.200 62.542 62.300 0.070 0.000 1.097 287 V CB 0.387 32.287 31.823 0.128 0.000 0.947 287 V HN 0.295 nan 8.190 nan 0.000 0.479 288 K N 4.320 124.732 120.400 0.020 0.000 2.414 288 K HA 0.034 4.354 4.320 0.000 0.000 0.272 288 K C 1.156 177.753 176.600 -0.005 0.000 0.993 288 K CA -0.376 55.914 56.287 0.005 0.000 0.964 288 K CB 0.936 33.436 32.500 -0.001 0.000 0.925 288 K HN 0.637 nan 8.250 nan 0.000 0.487 289 K N 1.519 121.917 120.400 -0.004 0.000 2.281 289 K HA -0.170 4.150 4.320 0.000 0.000 0.203 289 K C 1.645 178.234 176.600 -0.019 0.000 1.046 289 K CA 1.496 57.778 56.287 -0.007 0.000 0.938 289 K CB 0.075 32.574 32.500 -0.001 0.000 0.737 289 K HN 0.474 nan 8.250 nan 0.000 0.458 290 S N 1.075 116.761 115.700 -0.024 0.000 2.377 290 S HA -0.068 4.402 4.470 0.000 0.000 0.223 290 S C 0.713 175.279 174.600 -0.057 0.000 1.030 290 S CA 1.163 59.341 58.200 -0.036 0.000 0.970 290 S CB -0.134 63.045 63.200 -0.036 0.000 0.830 290 S HN 0.485 nan 8.310 nan 0.000 0.473 291 D N 0.957 121.316 120.400 -0.068 0.000 2.392 291 D HA 0.001 4.641 4.640 0.000 0.000 0.228 291 D C 1.442 177.662 176.300 -0.134 0.000 1.003 291 D CA 0.509 54.439 54.000 -0.116 0.000 0.917 291 D CB -0.095 40.610 40.800 -0.157 0.000 0.890 291 D HN 0.432 nan 8.370 nan 0.000 0.532 292 M N 0.139 119.696 119.600 -0.071 0.000 2.369 292 M HA -0.033 4.447 4.480 0.000 0.000 0.254 292 M C 2.009 178.280 176.300 -0.047 0.000 1.136 292 M CA 0.825 56.096 55.300 -0.047 0.000 1.190 292 M CB -0.370 32.225 32.600 -0.008 0.000 1.289 292 M HN -0.079 nan 8.290 nan 0.000 0.468 293 E N 1.734 121.913 120.200 -0.036 0.000 2.171 293 E HA -0.227 4.123 4.350 0.000 0.000 0.197 293 E C 1.650 178.223 176.600 -0.045 0.000 0.997 293 E CA 1.517 57.898 56.400 -0.032 0.000 0.810 293 E CB -0.613 29.075 29.700 -0.019 0.000 0.738 293 E HN 0.567 nan 8.360 nan 0.000 0.467 294 K N 1.607 121.965 120.400 -0.068 0.000 1.987 294 K HA -0.184 4.136 4.320 0.000 0.000 0.216 294 K C 2.095 178.638 176.600 -0.095 0.000 1.051 294 K CA 1.488 57.724 56.287 -0.085 0.000 0.942 294 K CB -0.752 31.706 32.500 -0.071 0.000 0.722 294 K HN 0.003 nan 8.250 nan 0.000 0.444 295 L N 1.334 122.472 121.223 -0.143 0.000 1.950 295 L HA -0.363 3.977 4.340 0.000 0.000 0.233 295 L C 2.672 179.500 176.870 -0.071 0.000 1.090 295 L CA 1.859 56.597 54.840 -0.170 0.000 0.809 295 L CB -0.999 40.874 42.059 -0.309 0.000 0.905 295 L HN 0.514 nan 8.230 nan 0.000 0.439 296 A N -0.250 122.545 122.820 -0.042 0.000 1.792 296 A HA -0.431 3.890 4.320 0.000 0.000 0.277 296 A C 2.092 179.684 177.584 0.013 0.000 2.778 296 A CA 3.305 55.337 52.037 -0.007 0.000 0.839 296 A CB -1.050 17.949 19.000 -0.003 0.000 0.828 296 A HN 0.598 nan 8.150 nan 0.000 0.533 297 K N -0.832 119.573 120.400 0.009 0.000 2.361 297 K HA 0.527 4.847 4.320 0.000 0.000 0.194 297 K C 1.985 178.607 176.600 0.036 0.000 1.032 297 K CA 0.545 56.857 56.287 0.042 0.000 1.048 297 K CB -0.032 32.492 32.500 0.039 0.000 0.842 297 K HN 0.533 nan 8.250 nan 0.000 0.526 298 A N 2.028 124.850 122.820 0.002 0.000 1.836 298 A HA -0.221 4.100 4.320 0.000 0.000 0.212 298 A C 2.184 179.782 177.584 0.022 0.000 1.243 298 A CA 2.519 54.554 52.037 -0.002 0.000 0.620 298 A CB -1.623 17.366 19.000 -0.018 0.000 0.889 298 A HN 0.430 nan 8.150 nan 0.000 0.463 299 T N -2.677 111.888 114.554 0.019 0.000 1.913 299 T HA -0.149 4.201 4.350 0.000 0.000 0.148 299 T C 1.722 176.452 174.700 0.050 0.000 1.823 299 T CA 3.539 65.663 62.100 0.040 0.000 0.907 299 T CB -1.425 67.481 68.868 0.062 0.000 0.790 299 T HN 2.380 nan 8.240 nan 0.000 0.414 300 G N 0.411 109.237 108.800 0.043 0.000 2.870 300 G HA2 0.427 4.388 3.960 0.000 0.000 0.216 300 G HA3 0.427 4.388 3.960 0.000 0.000 0.216 300 G C 0.370 175.278 174.900 0.015 0.000 0.973 300 G CA 0.460 45.586 45.100 0.043 0.000 0.807 300 G HN 1.693 nan 8.290 nan 0.000 0.573 301 A N 0.703 123.535 122.820 0.020 0.000 2.616 301 A HA 0.287 4.607 4.320 0.000 0.000 0.242 301 A C 0.513 178.102 177.584 0.008 0.000 0.987 301 A CA 1.154 53.202 52.037 0.018 0.000 0.800 301 A CB -0.142 18.875 19.000 0.029 0.000 0.883 301 A HN 1.086 nan 8.150 nan 0.000 0.496 302 N N 1.688 120.391 118.700 0.005 0.000 2.414 302 N HA 0.375 5.115 4.740 0.000 0.000 0.256 302 N C -0.404 175.112 175.510 0.010 0.000 1.029 302 N CA -0.479 52.573 53.050 0.003 0.000 0.948 302 N CB 1.531 40.016 38.487 -0.003 0.000 1.102 302 N HN 0.665 nan 8.380 nan 0.000 0.496 303 V N 3.746 123.666 119.914 0.010 0.000 2.415 303 V HA 0.337 4.457 4.120 0.000 0.000 0.267 303 V C 0.248 176.351 176.094 0.014 0.000 1.042 303 V CA -0.557 61.752 62.300 0.014 0.000 1.000 303 V CB -1.060 30.769 31.823 0.009 0.000 1.015 303 V HN 0.687 nan 8.190 nan 0.000 0.478 304 I N 3.881 124.462 120.570 0.019 0.000 3.205 304 I HA 0.633 4.803 4.170 0.000 0.000 0.310 304 I C 1.415 177.542 176.117 0.018 0.000 1.089 304 I CA -0.056 61.254 61.300 0.016 0.000 1.023 304 I CB 1.610 39.620 38.000 0.017 0.000 1.269 304 I HN 0.631 nan 8.210 nan 0.000 0.512 305 T N 0.114 114.678 114.554 0.016 0.000 2.623 305 T HA -0.021 4.329 4.350 0.000 0.000 0.254 305 T C 0.994 175.704 174.700 0.018 0.000 1.075 305 T CA 1.083 63.192 62.100 0.015 0.000 1.177 305 T CB -0.366 68.509 68.868 0.012 0.000 0.869 305 T HN 0.699 nan 8.240 nan 0.000 0.403 306 N N -0.377 118.334 118.700 0.018 0.000 2.671 306 N HA 0.339 5.079 4.740 0.000 0.000 0.303 306 N C 1.179 176.703 175.510 0.024 0.000 1.277 306 N CA -0.312 52.750 53.050 0.020 0.000 0.933 306 N CB 1.329 39.826 38.487 0.016 0.000 1.190 306 N HN 0.405 nan 8.380 nan 0.000 0.600 307 I N 1.355 121.940 120.570 0.025 0.000 2.127 307 I HA -0.359 3.812 4.170 0.000 0.000 0.241 307 I C 2.073 178.200 176.117 0.017 0.000 1.075 307 I CA 2.327 63.640 61.300 0.022 0.000 1.334 307 I CB -0.249 37.764 38.000 0.021 0.000 1.040 307 I HN 0.746 nan 8.210 nan 0.000 0.405 308 K N 0.666 121.075 120.400 0.015 0.000 2.728 308 K HA -0.398 3.922 4.320 0.000 0.000 0.202 308 K C 1.609 178.215 176.600 0.010 0.000 0.892 308 K CA 2.798 59.093 56.287 0.012 0.000 0.885 308 K CB -1.647 30.859 32.500 0.011 0.000 1.360 308 K HN 0.523 nan 8.250 nan 0.000 0.539 309 D N -0.061 120.346 120.400 0.011 0.000 2.347 309 D HA -0.002 4.638 4.640 0.000 0.000 0.215 309 D C 0.554 176.861 176.300 0.011 0.000 0.976 309 D CA 0.116 54.122 54.000 0.010 0.000 0.884 309 D CB 0.053 40.860 40.800 0.011 0.000 0.915 309 D HN 0.189 nan 8.370 nan 0.000 0.526 310 L N 0.773 122.004 121.223 0.013 0.000 2.535 310 L HA -0.083 4.257 4.340 0.000 0.000 0.301 310 L C 0.362 177.238 176.870 0.010 0.000 1.275 310 L CA 1.283 56.131 54.840 0.015 0.000 0.843 310 L CB 0.715 42.783 42.059 0.015 0.000 1.094 310 L HN -0.043 nan 8.230 nan 0.000 0.532 311 S N -0.240 115.466 115.700 0.011 0.000 2.751 311 S HA 0.342 4.812 4.470 0.000 0.000 0.289 311 S C -0.282 174.325 174.600 0.011 0.000 0.965 311 S CA -0.039 58.166 58.200 0.008 0.000 0.855 311 S CB 0.984 64.188 63.200 0.008 0.000 1.068 311 S HN 0.760 nan 8.310 nan 0.000 0.462 312 A N 2.009 124.834 122.820 0.009 0.000 2.574 312 A HA 0.276 4.597 4.320 0.000 0.000 0.283 312 A C 1.172 178.760 177.584 0.008 0.000 1.270 312 A CA -0.091 51.953 52.037 0.011 0.000 0.945 312 A CB 0.031 19.037 19.000 0.009 0.000 1.127 312 A HN 0.592 nan 8.150 nan 0.000 0.522 313 Q N 0.206 120.009 119.800 0.004 0.000 2.297 313 Q HA -0.002 4.338 4.340 0.000 0.000 0.203 313 Q C -0.135 175.865 176.000 -0.001 0.000 0.931 313 Q CA 0.573 56.377 55.803 0.001 0.000 0.885 313 Q CB -0.367 28.369 28.738 -0.003 0.000 0.991 313 Q HN 0.619 nan 8.270 nan 0.000 0.498 314 D N 1.276 121.678 120.400 0.003 0.000 2.396 314 D HA 0.076 4.716 4.640 0.000 0.000 0.255 314 D C -0.204 176.102 176.300 0.012 0.000 1.224 314 D CA 0.394 54.396 54.000 0.004 0.000 0.894 314 D CB 0.326 41.130 40.800 0.007 0.000 0.939 314 D HN 0.060 nan 8.370 nan 0.000 0.506 315 L N 0.329 121.560 121.223 0.012 0.000 2.386 315 L HA 0.444 4.785 4.340 0.000 0.000 0.271 315 L C 1.031 177.917 176.870 0.026 0.000 0.993 315 L CA -0.728 54.126 54.840 0.023 0.000 0.819 315 L CB 1.316 43.395 42.059 0.034 0.000 1.294 315 L HN -0.139 nan 8.230 nan 0.000 0.414 316 G N 0.718 109.543 108.800 0.041 0.000 2.510 316 G HA2 0.421 4.381 3.960 0.000 0.000 0.280 316 G HA3 0.421 4.381 3.960 0.000 0.000 0.280 316 G C -1.289 173.635 174.900 0.039 0.000 1.386 316 G CA 0.037 45.164 45.100 0.044 0.000 1.047 316 G HN 0.610 nan 8.290 nan 0.000 0.527 317 D N -1.583 118.845 120.400 0.045 0.000 2.470 317 D HA 0.529 5.169 4.640 0.000 0.000 0.233 317 D C -0.679 175.652 176.300 0.052 0.000 1.372 317 D CA -0.142 53.884 54.000 0.043 0.000 0.994 317 D CB 1.091 41.910 40.800 0.033 0.000 1.377 317 D HN 0.568 nan 8.370 nan 0.000 0.586 318 A N 2.314 125.169 122.820 0.057 0.000 2.411 318 A HA 0.621 4.941 4.320 0.000 0.000 0.285 318 A C 0.924 178.543 177.584 0.058 0.000 1.129 318 A CA -0.370 51.706 52.037 0.066 0.000 0.736 318 A CB 1.354 20.408 19.000 0.090 0.000 1.186 318 A HN 0.545 nan 8.150 nan 0.000 0.445 319 G N 0.653 109.483 108.800 0.051 0.000 2.990 319 G HA2 0.399 4.359 3.960 0.000 0.000 0.206 319 G HA3 0.399 4.359 3.960 0.000 0.000 0.206 319 G C -0.110 174.817 174.900 0.046 0.000 1.169 319 G CA 0.701 45.827 45.100 0.043 0.000 0.819 319 G HN 0.711 nan 8.290 nan 0.000 0.517 320 L N -1.111 120.147 121.223 0.059 0.000 2.781 320 L HA 0.367 4.708 4.340 0.000 0.000 0.256 320 L C -1.311 175.614 176.870 0.092 0.000 0.930 320 L CA -0.354 54.521 54.840 0.058 0.000 0.967 320 L CB 2.358 44.443 42.059 0.044 0.000 1.551 320 L HN -0.173 nan 8.230 nan 0.000 0.445 321 V N 2.840 122.810 119.914 0.094 0.000 2.722 321 V HA 0.441 4.561 4.120 0.000 0.000 0.260 321 V C -0.739 175.413 176.094 0.097 0.000 0.941 321 V CA -0.441 61.936 62.300 0.129 0.000 0.888 321 V CB 1.502 33.403 31.823 0.131 0.000 1.059 321 V HN 0.706 nan 8.190 nan 0.000 0.486 322 E N 2.116 122.375 120.200 0.097 0.000 2.234 322 E HA 0.394 4.745 4.350 0.000 0.000 0.266 322 E C -0.574 176.088 176.600 0.103 0.000 0.877 322 E CA -0.599 55.830 56.400 0.048 0.000 0.758 322 E CB 1.937 31.616 29.700 -0.034 0.000 1.170 322 E HN 0.640 nan 8.360 nan 0.000 0.415 323 E N 4.559 124.809 120.200 0.084 0.000 1.865 323 E HA 0.088 4.438 4.350 0.000 0.000 0.269 323 E C -0.753 175.889 176.600 0.071 0.000 1.177 323 E CA -0.164 56.303 56.400 0.112 0.000 0.932 323 E CB 0.322 30.067 29.700 0.075 0.000 1.066 323 E HN 0.297 nan 8.360 nan 0.000 0.405 324 R N 4.130 124.683 120.500 0.089 0.000 2.230 324 R HA 0.171 4.511 4.340 0.000 0.000 0.337 324 R C -0.214 176.130 176.300 0.073 0.000 1.063 324 R CA -0.447 55.649 56.100 -0.005 0.000 0.935 324 R CB 0.804 30.956 30.300 -0.246 0.000 1.121 324 R HN 0.208 nan 8.270 nan 0.000 0.486 325 K N 2.736 123.165 120.400 0.049 0.000 2.453 325 K HA 0.019 4.339 4.320 0.000 0.000 0.280 325 K C -0.124 176.512 176.600 0.061 0.000 1.045 325 K CA 0.610 56.932 56.287 0.057 0.000 1.059 325 K CB 0.447 32.970 32.500 0.039 0.000 0.901 325 K HN 0.476 nan 8.250 nan 0.000 0.475 326 I N 3.044 123.665 120.570 0.086 0.000 2.448 326 I HA 0.014 4.184 4.170 0.000 0.000 0.281 326 I C -0.004 176.152 176.117 0.065 0.000 1.027 326 I CA 0.061 61.415 61.300 0.090 0.000 1.111 326 I CB 1.151 39.243 38.000 0.153 0.000 1.236 326 I HN 0.830 nan 8.210 nan 0.000 0.452 327 S N 4.966 120.694 115.700 0.046 0.000 3.521 327 S HA -0.184 4.286 4.470 0.000 0.000 0.362 327 S C 0.807 175.428 174.600 0.034 0.000 1.044 327 S CA 1.121 59.342 58.200 0.036 0.000 1.091 327 S CB -2.015 61.208 63.200 0.038 0.000 0.908 327 S HN 2.468 nan 8.310 nan 0.000 0.473 328 G N 0.311 109.131 108.800 0.034 0.000 2.351 328 G HA2 -0.081 3.879 3.960 0.000 0.000 0.297 328 G HA3 -0.081 3.879 3.960 0.000 0.000 0.297 328 G C -0.429 174.491 174.900 0.032 0.000 1.054 328 G CA 0.278 45.396 45.100 0.030 0.000 1.123 328 G HN 0.952 nan 8.290 nan 0.000 0.512 329 D N -0.720 119.705 120.400 0.042 0.000 2.878 329 D HA 0.312 4.952 4.640 0.000 0.000 0.211 329 D C -0.066 176.272 176.300 0.064 0.000 1.271 329 D CA -0.299 53.728 54.000 0.046 0.000 0.845 329 D CB 1.442 42.267 40.800 0.042 0.000 1.679 329 D HN 0.197 nan 8.370 nan 0.000 0.536 330 S N 1.404 117.141 115.700 0.062 0.000 2.617 330 S HA 0.744 5.214 4.470 0.000 0.000 0.269 330 S C 0.245 174.905 174.600 0.100 0.000 1.292 330 S CA -0.384 57.866 58.200 0.082 0.000 1.010 330 S CB 1.095 64.336 63.200 0.068 0.000 0.944 330 S HN 0.377 nan 8.310 nan 0.000 0.536 331 M N 1.464 121.151 119.600 0.145 0.000 2.523 331 M HA 0.396 4.876 4.480 0.000 0.000 0.287 331 M C -1.824 174.628 176.300 0.252 0.000 1.160 331 M CA -0.262 55.132 55.300 0.157 0.000 0.902 331 M CB 1.646 34.315 32.600 0.115 0.000 1.752 331 M HN 0.440 nan 8.290 nan 0.000 0.504 332 I N 1.910 122.593 120.570 0.189 0.000 2.362 332 I HA 0.482 4.652 4.170 0.000 0.000 0.289 332 I C -1.108 175.155 176.117 0.243 0.000 0.994 332 I CA -0.376 61.094 61.300 0.282 0.000 1.158 332 I CB 1.089 39.290 38.000 0.335 0.000 1.315 332 I HN 0.401 nan 8.210 nan 0.000 0.451 333 F N 5.439 125.440 119.950 0.086 0.000 2.377 333 F HA 0.585 5.112 4.527 0.000 0.000 0.328 333 F C 0.232 176.078 175.800 0.077 0.000 1.094 333 F CA -0.693 57.341 58.000 0.057 0.000 1.093 333 F CB 1.636 40.660 39.000 0.040 0.000 1.214 333 F HN -0.016 nan 8.300 nan 0.000 0.518 334 V N 2.310 122.342 119.914 0.197 0.000 2.675 334 V HA 0.233 4.354 4.120 0.000 0.000 0.266 334 V C -0.647 175.507 176.094 0.099 0.000 0.974 334 V CA -0.876 61.511 62.300 0.146 0.000 0.890 334 V CB 0.695 32.562 31.823 0.074 0.000 1.055 334 V HN 0.791 nan 8.190 nan 0.000 0.477 335 E N 1.777 122.052 120.200 0.125 0.000 2.303 335 E HA 0.734 5.084 4.350 0.000 0.000 0.254 335 E C -0.181 176.462 176.600 0.071 0.000 0.979 335 E CA -1.023 55.436 56.400 0.097 0.000 0.843 335 E CB 1.439 31.212 29.700 0.123 0.000 1.245 335 E HN 0.240 nan 8.360 nan 0.000 0.413 336 E N -0.798 119.436 120.200 0.056 0.000 2.328 336 E HA -0.195 4.156 4.350 0.000 0.000 0.233 336 E C -0.993 175.632 176.600 0.042 0.000 1.219 336 E CA 0.276 56.702 56.400 0.043 0.000 0.717 336 E CB -1.717 28.006 29.700 0.037 0.000 1.210 336 E HN 0.541 nan 8.360 nan 0.000 0.381 337 C N 0.466 119.792 119.300 0.043 0.000 2.597 337 C HA -0.042 4.418 4.460 0.000 0.000 0.412 337 C C 2.140 177.157 174.990 0.046 0.000 1.348 337 C CA 0.396 59.442 59.018 0.045 0.000 1.769 337 C CB 0.555 28.318 27.740 0.037 0.000 2.641 337 C HN 0.542 nan 8.230 nan 0.000 0.612 338 K N 1.890 122.328 120.400 0.062 0.000 1.991 338 K HA -0.082 4.238 4.320 0.000 0.000 0.208 338 K C 1.034 177.690 176.600 0.094 0.000 1.038 338 K CA 1.122 57.453 56.287 0.073 0.000 0.943 338 K CB -0.246 32.304 32.500 0.084 0.000 0.736 338 K HN 0.837 nan 8.250 nan 0.000 0.440 339 H N 2.533 121.607 119.070 0.006 0.000 2.482 339 H HA 0.284 4.840 4.556 0.000 0.000 0.231 339 H C -2.431 172.897 175.328 -0.000 0.000 1.612 339 H CA -1.986 54.063 56.048 0.003 0.000 1.279 339 H CB 0.624 30.388 29.762 0.003 0.000 1.562 339 H HN 0.157 nan 8.280 nan 0.000 0.553 340 P HA 0.109 nan 4.420 nan 0.000 0.284 340 P C 0.496 177.698 177.300 -0.164 0.000 1.343 340 P CA -0.472 62.580 63.100 -0.080 0.000 0.826 340 P CB 0.858 32.528 31.700 -0.050 0.000 0.956 341 K N 1.894 122.207 120.400 -0.144 0.000 2.365 341 K HA 0.324 4.644 4.320 0.000 0.000 0.197 341 K C 0.727 177.291 176.600 -0.061 0.000 1.042 341 K CA 0.220 56.438 56.287 -0.116 0.000 0.987 341 K CB 0.358 32.825 32.500 -0.054 0.000 0.779 341 K HN 0.386 nan 8.250 nan 0.000 0.484 342 A N 0.796 123.589 122.820 -0.046 0.000 2.593 342 A HA 0.686 5.006 4.320 0.000 0.000 0.290 342 A C -1.510 176.051 177.584 -0.039 0.000 1.126 342 A CA -0.598 51.416 52.037 -0.037 0.000 0.695 342 A CB 2.405 21.387 19.000 -0.031 0.000 1.290 342 A HN 0.080 nan 8.150 nan 0.000 0.414 343 V N 0.224 120.115 119.914 -0.040 0.000 2.859 343 V HA 0.513 4.633 4.120 0.000 0.000 0.276 343 V C -1.068 175.000 176.094 -0.043 0.000 1.496 343 V CA -0.002 62.275 62.300 -0.038 0.000 0.929 343 V CB 1.604 33.407 31.823 -0.033 0.000 1.147 343 V HN 1.188 nan 8.190 nan 0.000 0.449 344 T N 8.174 122.696 114.554 -0.053 0.000 2.845 344 T HA 0.506 4.857 4.350 0.000 0.000 0.288 344 T C -0.148 174.521 174.700 -0.053 0.000 0.980 344 T CA -0.161 61.900 62.100 -0.065 0.000 1.071 344 T CB 1.099 69.908 68.868 -0.099 0.000 0.941 344 T HN 0.744 nan 8.240 nan 0.000 0.487 345 M N 5.067 124.639 119.600 -0.047 0.000 2.027 345 M HA 0.399 4.879 4.480 0.000 0.000 0.329 345 M C -0.730 175.551 176.300 -0.032 0.000 0.971 345 M CA -0.660 54.622 55.300 -0.031 0.000 0.933 345 M CB 0.335 32.922 32.600 -0.022 0.000 1.392 345 M HN 0.529 nan 8.290 nan 0.000 0.394 346 L N 5.763 126.968 121.223 -0.030 0.000 2.601 346 L HA 0.170 4.510 4.340 0.000 0.000 0.277 346 L C -1.066 175.805 176.870 0.003 0.000 1.219 346 L CA 0.634 55.461 54.840 -0.022 0.000 0.915 346 L CB 0.250 42.320 42.059 0.019 0.000 1.160 346 L HN 0.668 nan 8.230 nan 0.000 0.494 347 I N 5.568 126.137 120.570 -0.000 0.000 2.466 347 I HA 0.454 4.624 4.170 0.000 0.000 0.289 347 I C -0.529 175.600 176.117 0.019 0.000 1.026 347 I CA -0.789 60.516 61.300 0.008 0.000 1.078 347 I CB 1.612 39.612 38.000 -0.000 0.000 1.249 347 I HN 0.521 nan 8.210 nan 0.000 0.429 348 R N 4.295 124.811 120.500 0.026 0.000 2.711 348 R HA 0.903 5.243 4.340 0.000 0.000 0.284 348 R C -0.363 175.952 176.300 0.026 0.000 0.968 348 R CA -1.039 55.079 56.100 0.031 0.000 0.924 348 R CB 2.255 32.579 30.300 0.039 0.000 1.162 348 R HN 0.892 nan 8.270 nan 0.000 0.465 349 G N -0.347 108.468 108.800 0.026 0.000 2.442 349 G HA2 0.374 4.334 3.960 0.000 0.000 0.296 349 G HA3 0.374 4.334 3.960 0.000 0.000 0.296 349 G C -0.231 174.684 174.900 0.025 0.000 1.564 349 G CA 0.307 45.423 45.100 0.026 0.000 0.828 349 G HN 0.886 nan 8.290 nan 0.000 0.571 350 T N -1.646 112.922 114.554 0.023 0.000 14.213 350 T HA -0.194 4.156 4.350 0.000 0.000 0.420 350 T C 0.970 175.682 174.700 0.020 0.000 1.440 350 T CA 1.957 64.072 62.100 0.026 0.000 2.335 350 T CB -1.616 67.266 68.868 0.024 0.000 2.754 350 T HN 2.257 nan 8.240 nan 0.000 0.199 351 T N 0.790 115.358 114.554 0.023 0.000 2.810 351 T HA 0.540 4.890 4.350 0.000 0.000 0.277 351 T C 1.365 176.101 174.700 0.061 0.000 0.973 351 T CA 1.080 63.199 62.100 0.032 0.000 0.949 351 T CB -0.018 68.861 68.868 0.018 0.000 1.075 351 T HN 1.087 nan 8.240 nan 0.000 0.537 352 E N -0.127 120.112 120.200 0.065 0.000 3.858 352 E HA -0.396 3.955 4.350 0.000 0.000 0.304 352 E C 1.391 178.112 176.600 0.201 0.000 1.347 352 E CA 2.458 58.928 56.400 0.115 0.000 1.913 352 E CB -1.186 28.568 29.700 0.090 0.000 1.712 352 E HN 0.827 nan 8.360 nan 0.000 0.299 353 H N 0.165 119.237 119.070 0.004 0.000 2.256 353 H HA -0.129 4.427 4.556 0.000 0.000 0.299 353 H C 2.565 177.895 175.328 0.003 0.000 1.071 353 H CA 1.456 57.506 56.048 0.003 0.000 1.280 353 H CB -0.415 29.350 29.762 0.004 0.000 1.370 353 H HN 0.227 nan 8.280 nan 0.000 0.490 354 V N 2.379 122.378 119.914 0.142 0.000 2.258 354 V HA -0.385 3.736 4.120 0.000 0.000 0.259 354 V C 2.162 178.279 176.094 0.038 0.000 1.076 354 V CA 2.681 65.022 62.300 0.068 0.000 1.084 354 V CB -0.912 30.942 31.823 0.052 0.000 0.706 354 V HN 0.444 nan 8.190 nan 0.000 0.461 355 I N -0.257 120.335 120.570 0.038 0.000 2.045 355 I HA -0.251 3.919 4.170 0.000 0.000 0.233 355 I C 2.633 178.751 176.117 0.001 0.000 1.048 355 I CA 2.477 63.788 61.300 0.019 0.000 1.313 355 I CB -1.628 36.383 38.000 0.020 0.000 1.043 355 I HN 0.418 nan 8.210 nan 0.000 0.393 356 E N 1.182 121.377 120.200 -0.008 0.000 2.149 356 E HA -0.382 3.968 4.350 0.000 0.000 0.215 356 E C 1.899 178.468 176.600 -0.052 0.000 1.055 356 E CA 2.392 58.767 56.400 -0.042 0.000 0.870 356 E CB -0.531 29.133 29.700 -0.061 0.000 0.764 356 E HN 0.655 nan 8.360 nan 0.000 0.463 357 E N 1.112 121.283 120.200 -0.049 0.000 2.110 357 E HA -0.268 4.082 4.350 0.000 0.000 0.225 357 E C 1.802 178.392 176.600 -0.016 0.000 1.063 357 E CA 2.570 58.953 56.400 -0.028 0.000 0.906 357 E CB -0.407 29.280 29.700 -0.021 0.000 0.795 357 E HN 0.143 nan 8.360 nan 0.000 0.479 358 V N 0.381 120.291 119.914 -0.007 0.000 3.541 358 V HA 0.103 4.223 4.120 0.000 0.000 0.272 358 V C 1.582 177.669 176.094 -0.011 0.000 1.215 358 V CA 1.046 63.343 62.300 -0.005 0.000 1.176 358 V CB -0.522 31.302 31.823 0.001 0.000 0.854 358 V HN 0.521 nan 8.190 nan 0.000 0.496 359 A N -0.405 122.404 122.820 -0.018 0.000 2.390 359 A HA 0.252 4.572 4.320 0.000 0.000 0.232 359 A C 2.161 179.730 177.584 -0.025 0.000 1.233 359 A CA 0.000 52.024 52.037 -0.023 0.000 0.907 359 A CB 0.016 19.000 19.000 -0.025 0.000 0.967 359 A HN 0.444 nan 8.150 nan 0.000 0.512 360 R N -1.042 119.443 120.500 -0.025 0.000 2.167 360 R HA 0.217 4.557 4.340 0.000 0.000 0.201 360 R C 2.188 178.478 176.300 -0.017 0.000 1.024 360 R CA 0.892 56.977 56.100 -0.024 0.000 1.053 360 R CB -0.050 30.231 30.300 -0.032 0.000 0.987 360 R HN 0.373 nan 8.270 nan 0.000 0.493 361 A N 0.638 123.450 122.820 -0.013 0.000 2.067 361 A HA -0.062 4.258 4.320 0.000 0.000 0.219 361 A C 2.033 179.612 177.584 -0.007 0.000 1.158 361 A CA 0.949 52.982 52.037 -0.007 0.000 0.661 361 A CB -0.265 18.734 19.000 -0.002 0.000 0.801 361 A HN 0.168 nan 8.150 nan 0.000 0.452 362 V N -0.247 119.661 119.914 -0.010 0.000 2.283 362 V HA -0.133 3.987 4.120 0.000 0.000 0.239 362 V C 2.064 178.150 176.094 -0.013 0.000 1.035 362 V CA 2.320 64.613 62.300 -0.011 0.000 1.018 362 V CB -0.479 31.336 31.823 -0.013 0.000 0.658 362 V HN 0.508 nan 8.190 nan 0.000 0.459 363 D N 0.673 121.063 120.400 -0.016 0.000 2.160 363 D HA -0.222 4.419 4.640 0.000 0.000 0.189 363 D C 1.860 178.151 176.300 -0.014 0.000 1.003 363 D CA 2.099 56.089 54.000 -0.017 0.000 0.846 363 D CB -0.459 40.330 40.800 -0.019 0.000 0.949 363 D HN 0.650 nan 8.370 nan 0.000 0.446 364 D N 0.561 120.954 120.400 -0.013 0.000 2.178 364 D HA -0.140 4.500 4.640 0.000 0.000 0.201 364 D C 1.980 178.276 176.300 -0.007 0.000 0.980 364 D CA 1.078 55.072 54.000 -0.010 0.000 0.842 364 D CB -0.311 40.483 40.800 -0.009 0.000 0.948 364 D HN 0.209 nan 8.370 nan 0.000 0.472 365 A N 1.435 124.251 122.820 -0.007 0.000 1.909 365 A HA -0.242 4.078 4.320 0.000 0.000 0.221 365 A C 2.533 180.113 177.584 -0.007 0.000 1.223 365 A CA 2.336 54.369 52.037 -0.006 0.000 0.658 365 A CB -1.013 17.984 19.000 -0.005 0.000 0.831 365 A HN 0.231 nan 8.150 nan 0.000 0.462 366 V N -0.511 119.397 119.914 -0.010 0.000 3.306 366 V HA 0.016 4.137 4.120 0.000 0.000 0.264 366 V C 2.521 178.609 176.094 -0.010 0.000 1.149 366 V CA 1.224 63.517 62.300 -0.011 0.000 1.143 366 V CB -1.044 30.770 31.823 -0.014 0.000 0.767 366 V HN 0.639 nan 8.190 nan 0.000 0.476 367 G N 1.235 110.029 108.800 -0.009 0.000 2.404 367 G HA2 -0.149 3.811 3.960 0.000 0.000 0.214 367 G HA3 -0.149 3.811 3.960 0.000 0.000 0.214 367 G C 1.545 176.441 174.900 -0.006 0.000 1.189 367 G CA 1.376 46.471 45.100 -0.008 0.000 0.789 367 G HN 0.572 nan 8.290 nan 0.000 0.533 368 V N -0.952 118.959 119.914 -0.005 0.000 3.541 368 V HA 0.172 4.292 4.120 0.000 0.000 0.267 368 V C 2.365 178.458 176.094 -0.003 0.000 1.213 368 V CA 0.923 63.221 62.300 -0.003 0.000 1.149 368 V CB 0.042 31.864 31.823 -0.002 0.000 0.822 368 V HN 0.166 nan 8.190 nan 0.000 0.462 369 V N 2.396 122.308 119.914 -0.004 0.000 2.346 369 V HA 0.089 4.209 4.120 0.000 0.000 0.244 369 V C 2.628 178.719 176.094 -0.005 0.000 1.037 369 V CA 2.279 64.576 62.300 -0.004 0.000 1.029 369 V CB -0.673 31.147 31.823 -0.004 0.000 0.663 369 V HN 0.518 nan 8.190 nan 0.000 0.454 370 G N -0.201 108.595 108.800 -0.007 0.000 2.803 370 G HA2 -0.439 3.521 3.960 0.000 0.000 0.227 370 G HA3 -0.439 3.521 3.960 0.000 0.000 0.227 370 G C 1.606 176.503 174.900 -0.005 0.000 1.129 370 G CA 1.959 47.055 45.100 -0.006 0.000 0.755 370 G HN 0.638 nan 8.290 nan 0.000 0.634 371 C N 0.477 119.775 119.300 -0.004 0.000 2.495 371 C HA 0.134 4.594 4.460 0.000 0.000 0.275 371 C C 3.289 178.278 174.990 -0.002 0.000 1.392 371 C CA 1.312 60.329 59.018 -0.003 0.000 1.766 371 C CB -0.907 26.832 27.740 -0.002 0.000 1.933 371 C HN 0.727 nan 8.230 nan 0.000 0.519 372 T N 1.040 115.592 114.554 -0.002 0.000 2.857 372 T HA -0.089 4.261 4.350 0.000 0.000 0.266 372 T C 1.690 176.388 174.700 -0.002 0.000 1.048 372 T CA 1.554 63.653 62.100 -0.002 0.000 1.139 372 T CB -0.425 68.442 68.868 -0.001 0.000 0.874 372 T HN 0.419 nan 8.240 nan 0.000 0.455 373 I N 1.541 122.109 120.570 -0.004 0.000 2.195 373 I HA -0.275 3.895 4.170 0.000 0.000 0.232 373 I C 2.324 178.439 176.117 -0.003 0.000 0.986 373 I CA 2.374 63.671 61.300 -0.004 0.000 1.283 373 I CB -1.336 36.660 38.000 -0.005 0.000 0.990 373 I HN 0.407 nan 8.210 nan 0.000 0.390 374 E N -0.427 119.771 120.200 -0.003 0.000 2.474 374 E HA 0.089 4.439 4.350 0.000 0.000 0.195 374 E C -0.202 176.396 176.600 -0.003 0.000 1.039 374 E CA -0.011 56.387 56.400 -0.003 0.000 0.881 374 E CB 0.510 30.208 29.700 -0.003 0.000 0.970 374 E HN 0.431 nan 8.360 nan 0.000 0.486 375 D N -0.912 119.486 120.400 -0.002 0.000 2.947 375 D HA 0.199 4.839 4.640 0.000 0.000 0.224 375 D C -0.580 175.719 176.300 -0.001 0.000 1.230 375 D CA -0.381 53.618 54.000 -0.002 0.000 0.871 375 D CB 2.009 42.808 40.800 -0.002 0.000 1.671 375 D HN 0.085 nan 8.370 nan 0.000 0.507 376 G N 1.736 110.536 108.800 -0.001 0.000 4.486 376 G HA2 0.375 4.335 3.960 0.000 0.000 0.306 376 G HA3 0.375 4.335 3.960 0.000 0.000 0.306 376 G C 0.279 175.180 174.900 0.001 0.000 1.331 376 G CA -0.206 44.894 45.100 -0.001 0.000 1.113 376 G HN 0.196 nan 8.290 nan 0.000 0.594 377 R N 0.078 120.578 120.500 0.001 0.000 2.563 377 R HA 0.443 4.783 4.340 0.000 0.000 0.262 377 R C -1.314 174.988 176.300 0.004 0.000 1.128 377 R CA -0.689 55.413 56.100 0.003 0.000 0.969 377 R CB 1.830 32.132 30.300 0.002 0.000 1.251 377 R HN 0.294 nan 8.270 nan 0.000 0.442 378 I N 0.621 121.195 120.570 0.007 0.000 2.478 378 I HA 0.669 4.839 4.170 0.000 0.000 0.287 378 I C -1.439 174.687 176.117 0.015 0.000 1.042 378 I CA -0.882 60.424 61.300 0.009 0.000 1.067 378 I CB 1.965 39.970 38.000 0.008 0.000 1.233 378 I HN 0.296 nan 8.210 nan 0.000 0.431 379 V N 4.822 124.746 119.914 0.017 0.000 2.960 379 V HA 0.514 4.634 4.120 0.000 0.000 0.315 379 V C 0.414 176.526 176.094 0.031 0.000 1.087 379 V CA -0.396 61.919 62.300 0.026 0.000 0.982 379 V CB 2.706 34.542 31.823 0.022 0.000 1.039 379 V HN 0.957 nan 8.190 nan 0.000 0.437 380 S N 3.105 118.835 115.700 0.050 0.000 2.506 380 S HA 0.369 4.839 4.470 0.000 0.000 0.291 380 S C 0.992 175.619 174.600 0.045 0.000 1.230 380 S CA 0.272 58.510 58.200 0.063 0.000 1.107 380 S CB 0.081 63.316 63.200 0.058 0.000 0.942 380 S HN 2.416 nan 8.310 nan 0.000 0.502 381 G N 2.506 111.325 108.800 0.032 0.000 2.221 381 G HA2 0.128 4.089 3.960 0.000 0.000 0.265 381 G HA3 0.128 4.089 3.960 0.000 0.000 0.265 381 G C 0.905 175.823 174.900 0.029 0.000 1.041 381 G CA 0.097 45.218 45.100 0.034 0.000 0.807 381 G HN 2.416 nan 8.290 nan 0.000 0.502 382 G N -1.244 107.565 108.800 0.016 0.000 2.333 382 G HA2 0.431 4.392 3.960 0.000 0.000 0.296 382 G HA3 0.431 4.392 3.960 0.000 0.000 0.296 382 G C 1.687 176.587 174.900 -0.000 0.000 1.059 382 G CA 1.039 46.138 45.100 -0.001 0.000 1.050 382 G HN 2.794 nan 8.290 nan 0.000 0.508 383 G N -2.095 106.708 108.800 0.006 0.000 2.618 383 G HA2 0.162 4.122 3.960 0.000 0.000 0.180 383 G HA3 0.162 4.122 3.960 0.000 0.000 0.180 383 G C 0.548 175.465 174.900 0.029 0.000 1.092 383 G CA 0.720 45.819 45.100 -0.001 0.000 0.856 383 G HN 1.419 nan 8.290 nan 0.000 0.496 384 S N -1.451 114.274 115.700 0.041 0.000 2.691 384 S HA 0.166 4.636 4.470 0.000 0.000 0.241 384 S C 2.283 176.736 174.600 -0.246 0.000 1.077 384 S CA 1.522 59.816 58.200 0.155 0.000 0.900 384 S CB 0.220 63.616 63.200 0.327 0.000 0.805 384 S HN 0.456 nan 8.310 nan 0.000 0.529 385 T N 2.630 117.111 114.554 -0.122 0.000 2.985 385 T HA 0.018 4.368 4.350 0.000 0.000 0.266 385 T C 1.563 176.175 174.700 -0.146 0.000 1.076 385 T CA 0.869 62.896 62.100 -0.121 0.000 1.135 385 T CB -0.031 68.822 68.868 -0.026 0.000 0.890 385 T HN 0.369 nan 8.240 nan 0.000 0.480 386 E N 1.458 121.582 120.200 -0.127 0.000 2.042 386 E HA -0.032 4.319 4.350 0.000 0.000 0.189 386 E C 2.650 179.191 176.600 -0.097 0.000 0.974 386 E CA 1.014 57.364 56.400 -0.084 0.000 0.806 386 E CB -1.396 28.270 29.700 -0.056 0.000 0.769 386 E HN 0.503 nan 8.360 nan 0.000 0.451 387 V N 0.876 120.715 119.914 -0.125 0.000 2.313 387 V HA -0.312 3.808 4.120 0.000 0.000 0.253 387 V C 2.291 178.281 176.094 -0.173 0.000 1.070 387 V CA 2.632 64.852 62.300 -0.135 0.000 1.057 387 V CB -0.752 31.007 31.823 -0.106 0.000 0.653 387 V HN 0.129 nan 8.190 nan 0.000 0.450 388 E N 0.201 120.220 120.200 -0.302 0.000 2.230 388 E HA 0.040 4.390 4.350 0.000 0.000 0.192 388 E C 1.936 178.462 176.600 -0.123 0.000 0.987 388 E CA 0.922 57.169 56.400 -0.254 0.000 0.841 388 E CB -0.371 29.073 29.700 -0.427 0.000 0.783 388 E HN 0.683 nan 8.360 nan 0.000 0.481 389 L N 0.235 121.393 121.223 -0.108 0.000 1.990 389 L HA -0.260 4.080 4.340 0.000 0.000 0.213 389 L C 2.558 179.402 176.870 -0.044 0.000 1.072 389 L CA 1.729 56.531 54.840 -0.064 0.000 0.755 389 L CB -0.754 41.279 42.059 -0.043 0.000 0.889 389 L HN 0.257 nan 8.230 nan 0.000 0.432 390 S N 0.674 116.347 115.700 -0.045 0.000 2.392 390 S HA -0.290 4.180 4.470 0.000 0.000 0.225 390 S C 1.830 176.424 174.600 -0.010 0.000 1.041 390 S CA 2.283 60.470 58.200 -0.022 0.000 1.100 390 S CB -0.281 62.901 63.200 -0.031 0.000 1.029 390 S HN 0.403 nan 8.310 nan 0.000 0.424 391 M N 0.331 119.921 119.600 -0.017 0.000 2.619 391 M HA 0.275 4.755 4.480 0.000 0.000 0.251 391 M C 1.962 178.269 176.300 0.012 0.000 1.106 391 M CA 0.817 56.118 55.300 0.001 0.000 1.086 391 M CB -0.065 32.537 32.600 0.003 0.000 1.465 391 M HN 0.169 nan 8.290 nan 0.000 0.506 392 K N 0.683 121.086 120.400 0.006 0.000 2.242 392 K HA 0.214 4.534 4.320 0.000 0.000 0.200 392 K C 1.530 178.159 176.600 0.047 0.000 1.050 392 K CA 0.663 56.961 56.287 0.018 0.000 0.981 392 K CB 0.259 32.755 32.500 -0.006 0.000 0.795 392 K HN 0.342 nan 8.250 nan 0.000 0.477 393 L N 0.082 121.324 121.223 0.033 0.000 2.529 393 L HA 0.110 4.450 4.340 0.000 0.000 0.223 393 L C 2.318 179.262 176.870 0.123 0.000 1.113 393 L CA 0.115 54.993 54.840 0.063 0.000 0.861 393 L CB -0.030 42.007 42.059 -0.037 0.000 1.012 393 L HN 0.077 nan 8.230 nan 0.000 0.461 394 R N 0.818 121.360 120.500 0.071 0.000 2.062 394 R HA -0.120 4.220 4.340 0.000 0.000 0.231 394 R C 1.846 178.175 176.300 0.049 0.000 1.136 394 R CA 1.333 57.465 56.100 0.053 0.000 0.948 394 R CB 0.065 30.384 30.300 0.030 0.000 0.845 394 R HN 0.280 nan 8.270 nan 0.000 0.430 395 E N -0.351 119.880 120.200 0.052 0.000 2.418 395 E HA -0.205 4.145 4.350 0.000 0.000 0.197 395 E C 1.371 178.001 176.600 0.051 0.000 1.026 395 E CA 0.650 57.074 56.400 0.039 0.000 0.862 395 E CB -0.040 29.680 29.700 0.034 0.000 0.799 395 E HN 0.492 nan 8.360 nan 0.000 0.518 396 Y N 1.037 121.323 120.300 -0.023 0.000 2.475 396 Y HA 0.114 4.664 4.550 0.000 0.000 0.289 396 Y C 2.147 178.030 175.900 -0.028 0.000 1.121 396 Y CA 0.790 58.872 58.100 -0.029 0.000 1.257 396 Y CB 0.017 38.451 38.460 -0.044 0.000 1.026 396 Y HN -0.036 nan 8.280 nan 0.000 0.555 397 A N -0.195 122.572 122.820 -0.087 0.000 1.975 397 A HA -0.033 4.287 4.320 0.000 0.000 0.215 397 A C 1.939 179.433 177.584 -0.149 0.000 1.170 397 A CA 1.204 53.161 52.037 -0.132 0.000 0.656 397 A CB -0.455 18.543 19.000 -0.004 0.000 0.821 397 A HN 0.458 nan 8.150 nan 0.000 0.449 398 E N -0.269 119.866 120.200 -0.108 0.000 2.418 398 E HA 0.011 4.361 4.350 0.000 0.000 0.197 398 E C 1.806 178.333 176.600 -0.122 0.000 1.026 398 E CA 0.714 57.063 56.400 -0.086 0.000 0.862 398 E CB -0.232 29.440 29.700 -0.047 0.000 0.799 398 E HN 0.547 nan 8.360 nan 0.000 0.518 399 G N 0.717 109.388 108.800 -0.216 0.000 2.430 399 G HA2 -0.145 3.816 3.960 0.000 0.000 0.216 399 G HA3 -0.145 3.816 3.960 0.000 0.000 0.216 399 G C 1.518 176.264 174.900 -0.256 0.000 1.146 399 G CA 0.900 45.847 45.100 -0.255 0.000 0.793 399 G HN 0.382 nan 8.290 nan 0.000 0.537 400 I N -1.984 118.397 120.570 -0.316 0.000 2.368 400 I HA 0.314 4.484 4.170 0.000 0.000 0.238 400 I C 0.975 177.024 176.117 -0.112 0.000 1.076 400 I CA 0.644 61.812 61.300 -0.221 0.000 1.397 400 I CB -0.340 37.519 38.000 -0.234 0.000 1.141 400 I HN 0.230 nan 8.210 nan 0.000 0.430 401 S N 0.107 115.757 115.700 -0.082 0.000 2.711 401 S HA 0.299 4.769 4.470 0.000 0.000 0.856 401 S C -0.253 174.333 174.600 -0.024 0.000 0.760 401 S CA 0.193 58.365 58.200 -0.046 0.000 1.585 401 S CB -1.255 61.921 63.200 -0.039 0.000 1.138 401 S HN 2.209 nan 8.310 nan 0.000 0.365 402 G N 5.867 114.660 108.800 -0.011 0.000 2.436 402 G HA2 0.020 3.980 3.960 0.000 0.000 0.205 402 G HA3 0.020 3.980 3.960 0.000 0.000 0.205 402 G C 0.205 175.114 174.900 0.016 0.000 1.188 402 G CA 0.808 45.910 45.100 0.003 0.000 1.267 402 G HN 1.948 nan 8.290 nan 0.000 0.536 403 R N 0.332 120.847 120.500 0.025 0.000 2.052 403 R HA 0.325 4.665 4.340 0.000 0.000 0.224 403 R C 1.990 178.327 176.300 0.062 0.000 1.165 403 R CA 2.113 58.237 56.100 0.041 0.000 0.939 403 R CB -1.186 29.137 30.300 0.038 0.000 0.834 403 R HN 0.537 nan 8.270 nan 0.000 0.435 404 E N 0.787 121.029 120.200 0.070 0.000 2.826 404 E HA -0.478 3.873 4.350 0.000 0.000 0.239 404 E C 1.749 178.391 176.600 0.070 0.000 0.999 404 E CA 2.585 59.029 56.400 0.074 0.000 1.650 404 E CB -1.283 28.455 29.700 0.063 0.000 1.543 404 E HN 0.777 nan 8.360 nan 0.000 0.437 405 Q N 0.422 120.243 119.800 0.036 0.000 2.096 405 Q HA -0.140 4.200 4.340 0.000 0.000 0.204 405 Q C 1.753 177.786 176.000 0.055 0.000 0.982 405 Q CA 1.897 57.712 55.803 0.020 0.000 0.850 405 Q CB -0.092 28.647 28.738 0.001 0.000 0.901 405 Q HN 0.456 nan 8.270 nan 0.000 0.422 406 L N 0.160 121.431 121.223 0.079 0.000 2.591 406 L HA 0.242 4.582 4.340 0.000 0.000 0.228 406 L C 1.964 178.950 176.870 0.193 0.000 1.133 406 L CA 0.731 55.633 54.840 0.103 0.000 0.880 406 L CB -0.057 42.047 42.059 0.074 0.000 1.033 406 L HN 0.255 nan 8.230 nan 0.000 0.450 407 A N 0.104 123.085 122.820 0.268 0.000 1.878 407 A HA -0.025 4.295 4.320 0.000 0.000 0.213 407 A C 2.249 179.890 177.584 0.095 0.000 1.192 407 A CA 1.404 53.809 52.037 0.614 0.000 0.619 407 A CB -0.683 18.706 19.000 0.649 0.000 0.837 407 A HN 0.200 nan 8.150 nan 0.000 0.446 408 V N -2.137 117.791 119.914 0.023 0.000 2.591 408 V HA -0.053 4.067 4.120 0.000 0.000 0.249 408 V C 2.141 178.229 176.094 -0.010 0.000 1.053 408 V CA 1.662 63.923 62.300 -0.065 0.000 1.068 408 V CB -0.889 30.970 31.823 0.061 0.000 0.689 408 V HN 0.447 nan 8.190 nan 0.000 0.462 409 R N 1.002 121.523 120.500 0.036 0.000 2.070 409 R HA 0.026 4.366 4.340 0.000 0.000 0.233 409 R C 2.526 178.858 176.300 0.053 0.000 1.137 409 R CA 1.683 57.811 56.100 0.047 0.000 0.945 409 R CB -0.709 29.625 30.300 0.056 0.000 0.845 409 R HN 0.603 nan 8.270 nan 0.000 0.430 410 A N 0.013 122.882 122.820 0.082 0.000 2.067 410 A HA -0.146 4.174 4.320 0.000 0.000 0.219 410 A C 1.737 179.361 177.584 0.067 0.000 1.158 410 A CA 0.835 52.937 52.037 0.109 0.000 0.661 410 A CB -0.386 18.756 19.000 0.236 0.000 0.801 410 A HN 0.350 nan 8.150 nan 0.000 0.452 411 F N 0.050 119.843 119.950 -0.261 0.000 2.615 411 F HA 0.313 4.840 4.527 0.000 0.000 0.297 411 F C 2.145 177.848 175.800 -0.161 0.000 1.124 411 F CA 0.148 57.963 58.000 -0.307 0.000 1.451 411 F CB -0.169 38.427 39.000 -0.673 0.000 1.103 411 F HN 0.234 nan 8.300 nan 0.000 0.569 412 A N -0.369 122.522 122.820 0.119 0.000 1.871 412 A HA -0.030 4.291 4.320 0.000 0.000 0.211 412 A C 2.041 179.640 177.584 0.024 0.000 1.207 412 A CA 1.116 53.196 52.037 0.071 0.000 0.620 412 A CB -0.878 18.149 19.000 0.044 0.000 0.860 412 A HN 0.227 nan 8.150 nan 0.000 0.450 413 D N 0.456 120.868 120.400 0.021 0.000 2.191 413 D HA -0.189 4.451 4.640 0.000 0.000 0.195 413 D C 1.828 178.116 176.300 -0.019 0.000 1.003 413 D CA 1.809 55.811 54.000 0.004 0.000 0.867 413 D CB -0.137 40.671 40.800 0.013 0.000 0.926 413 D HN 0.436 nan 8.370 nan 0.000 0.450 414 A N -0.403 122.391 122.820 -0.043 0.000 2.238 414 A HA 0.132 4.452 4.320 0.000 0.000 0.210 414 A C 2.178 179.694 177.584 -0.113 0.000 1.179 414 A CA -0.106 51.877 52.037 -0.090 0.000 0.827 414 A CB -0.139 18.825 19.000 -0.059 0.000 0.856 414 A HN 0.164 nan 8.150 nan 0.000 0.488 415 L N -0.517 120.659 121.223 -0.078 0.000 2.291 415 L HA -0.044 4.296 4.340 0.000 0.000 0.214 415 L C 2.221 179.063 176.870 -0.047 0.000 1.120 415 L CA 1.527 56.333 54.840 -0.056 0.000 0.799 415 L CB -0.175 41.873 42.059 -0.018 0.000 0.925 415 L HN 0.634 nan 8.230 nan 0.000 0.446 416 E N -0.049 120.127 120.200 -0.040 0.000 2.474 416 E HA -0.055 4.295 4.350 0.000 0.000 0.195 416 E C 1.942 178.522 176.600 -0.033 0.000 1.039 416 E CA 0.070 56.450 56.400 -0.033 0.000 0.881 416 E CB 0.510 30.195 29.700 -0.025 0.000 0.970 416 E HN 0.210 nan 8.360 nan 0.000 0.486 417 V N 0.904 120.793 119.914 -0.041 0.000 2.244 417 V HA -0.237 3.884 4.120 0.000 0.000 0.244 417 V C 2.159 178.229 176.094 -0.039 0.000 1.042 417 V CA 1.445 63.721 62.300 -0.040 0.000 1.006 417 V CB -0.325 31.471 31.823 -0.044 0.000 0.641 417 V HN 0.417 nan 8.190 nan 0.000 0.446 418 I N 0.568 121.112 120.570 -0.044 0.000 2.074 418 I HA -0.214 3.956 4.170 0.000 0.000 0.238 418 I C 0.196 176.292 176.117 -0.036 0.000 1.037 418 I CA 2.860 64.136 61.300 -0.040 0.000 1.301 418 I CB -2.213 35.763 38.000 -0.040 0.000 1.016 418 I HN 0.368 nan 8.210 nan 0.000 0.400 419 P HA -0.178 nan 4.420 nan 0.000 0.217 419 P C 1.619 178.901 177.300 -0.030 0.000 1.148 419 P CA 1.618 64.699 63.100 -0.031 0.000 0.828 419 P CB -0.202 31.480 31.700 -0.029 0.000 0.783 420 R N -0.431 120.052 120.500 -0.029 0.000 2.052 420 R HA -0.085 4.256 4.340 0.000 0.000 0.226 420 R C 2.369 178.653 176.300 -0.027 0.000 1.145 420 R CA 2.173 58.258 56.100 -0.025 0.000 0.952 420 R CB -1.290 28.997 30.300 -0.023 0.000 0.847 420 R HN 0.137 nan 8.270 nan 0.000 0.431 421 T N 0.217 114.753 114.554 -0.029 0.000 2.737 421 T HA -0.163 4.187 4.350 0.000 0.000 0.269 421 T C 1.934 176.615 174.700 -0.032 0.000 1.040 421 T CA 1.737 63.820 62.100 -0.028 0.000 1.142 421 T CB -0.451 68.399 68.868 -0.029 0.000 0.861 421 T HN 0.298 nan 8.240 nan 0.000 0.456 422 L N 0.456 121.656 121.223 -0.037 0.000 2.261 422 L HA 0.022 4.362 4.340 0.000 0.000 0.216 422 L C 3.113 179.951 176.870 -0.053 0.000 1.114 422 L CA 1.220 56.032 54.840 -0.047 0.000 0.777 422 L CB -0.612 41.415 42.059 -0.052 0.000 0.910 422 L HN 0.490 nan 8.230 nan 0.000 0.440 423 A N -1.222 121.573 122.820 -0.041 0.000 2.140 423 A HA -0.025 4.295 4.320 0.000 0.000 0.209 423 A C 2.174 179.741 177.584 -0.028 0.000 1.181 423 A CA 0.134 52.149 52.037 -0.036 0.000 0.824 423 A CB -0.000 18.983 19.000 -0.027 0.000 0.879 423 A HN 0.285 nan 8.150 nan 0.000 0.480 424 E N 0.382 120.566 120.200 -0.026 0.000 2.072 424 E HA -0.138 4.212 4.350 0.000 0.000 0.190 424 E C 1.374 177.961 176.600 -0.022 0.000 0.982 424 E CA 1.022 57.410 56.400 -0.021 0.000 0.803 424 E CB -0.011 29.678 29.700 -0.019 0.000 0.755 424 E HN 0.552 nan 8.360 nan 0.000 0.453 425 N N 0.596 119.279 118.700 -0.028 0.000 2.250 425 N HA -0.079 4.661 4.740 0.000 0.000 0.181 425 N C 1.791 177.285 175.510 -0.025 0.000 1.017 425 N CA 0.925 53.960 53.050 -0.026 0.000 0.866 425 N CB -0.299 38.171 38.487 -0.028 0.000 0.985 425 N HN 0.073 nan 8.380 nan 0.000 0.429 426 A N 0.948 123.746 122.820 -0.036 0.000 2.131 426 A HA -0.145 4.175 4.320 0.000 0.000 0.224 426 A C 1.701 179.275 177.584 -0.017 0.000 1.172 426 A CA 2.010 54.028 52.037 -0.033 0.000 0.672 426 A CB -1.136 17.832 19.000 -0.053 0.000 0.815 426 A HN 0.489 nan 8.150 nan 0.000 0.477 427 G N -2.336 106.456 108.800 -0.014 0.000 2.160 427 G HA2 -0.243 3.717 3.960 0.000 0.000 0.251 427 G HA3 -0.243 3.717 3.960 0.000 0.000 0.251 427 G C 0.040 174.936 174.900 -0.006 0.000 1.008 427 G CA 0.422 45.517 45.100 -0.008 0.000 0.724 427 G HN 0.624 nan 8.290 nan 0.000 0.514 428 L N 0.039 121.256 121.223 -0.010 0.000 2.418 428 L HA 0.332 4.673 4.340 0.000 0.000 0.265 428 L C 0.595 177.460 176.870 -0.008 0.000 1.143 428 L CA -1.006 53.829 54.840 -0.008 0.000 0.809 428 L CB 0.450 42.504 42.059 -0.009 0.000 1.124 428 L HN -0.039 nan 8.230 nan 0.000 0.456 429 D N 1.578 121.975 120.400 -0.005 0.000 2.518 429 D HA -0.017 4.623 4.640 0.000 0.000 0.270 429 D C 0.811 177.107 176.300 -0.006 0.000 1.338 429 D CA 0.403 54.401 54.000 -0.005 0.000 0.983 429 D CB 1.199 41.998 40.800 -0.003 0.000 1.126 429 D HN 0.666 nan 8.370 nan 0.000 0.543 430 A N 4.692 127.507 122.820 -0.008 0.000 1.859 430 A HA -0.231 4.090 4.320 0.000 0.000 0.217 430 A C 2.266 179.847 177.584 -0.005 0.000 1.198 430 A CA 1.472 53.504 52.037 -0.009 0.000 0.629 430 A CB -0.694 18.299 19.000 -0.012 0.000 0.830 430 A HN 0.797 nan 8.150 nan 0.000 0.446 431 I N -1.044 119.524 120.570 -0.004 0.000 2.502 431 I HA -0.284 3.886 4.170 0.000 0.000 0.258 431 I C 1.807 177.924 176.117 0.000 0.000 1.172 431 I CA 2.454 63.753 61.300 -0.002 0.000 1.430 431 I CB -0.359 37.641 38.000 -0.001 0.000 1.086 431 I HN 0.490 nan 8.210 nan 0.000 0.440 432 E N 1.329 121.529 120.200 0.001 0.000 2.086 432 E HA -0.094 4.256 4.350 0.000 0.000 0.190 432 E C 2.357 178.960 176.600 0.004 0.000 0.975 432 E CA 1.204 57.605 56.400 0.003 0.000 0.813 432 E CB 0.007 29.709 29.700 0.004 0.000 0.768 432 E HN 0.555 nan 8.360 nan 0.000 0.457 433 I N 1.379 121.951 120.570 0.002 0.000 2.090 433 I HA -0.255 3.915 4.170 0.000 0.000 0.236 433 I C 2.148 178.269 176.117 0.007 0.000 1.064 433 I CA 0.936 62.238 61.300 0.004 0.000 1.324 433 I CB -0.827 37.172 38.000 -0.001 0.000 1.044 433 I HN 0.155 nan 8.210 nan 0.000 0.399 434 L N 0.929 122.153 121.223 0.002 0.000 2.230 434 L HA -0.210 4.131 4.340 0.000 0.000 0.217 434 L C 2.569 179.443 176.870 0.007 0.000 1.090 434 L CA 1.490 56.331 54.840 0.003 0.000 0.771 434 L CB -2.083 39.974 42.059 -0.004 0.000 0.892 434 L HN 0.184 nan 8.230 nan 0.000 0.438 435 V N -1.196 118.723 119.914 0.008 0.000 2.453 435 V HA -0.200 3.920 4.120 0.000 0.000 0.247 435 V C 2.427 178.530 176.094 0.016 0.000 1.048 435 V CA 1.284 63.591 62.300 0.011 0.000 1.049 435 V CB -0.723 31.105 31.823 0.009 0.000 0.672 435 V HN 0.421 nan 8.190 nan 0.000 0.457 436 K N 0.488 120.897 120.400 0.016 0.000 2.001 436 K HA -0.072 4.249 4.320 0.000 0.000 0.208 436 K C 2.172 178.791 176.600 0.031 0.000 1.048 436 K CA 1.507 57.806 56.287 0.020 0.000 0.932 436 K CB -0.455 32.055 32.500 0.017 0.000 0.715 436 K HN 0.365 nan 8.250 nan 0.000 0.437 437 V N 1.392 121.328 119.914 0.038 0.000 2.535 437 V HA -0.111 4.009 4.120 0.000 0.000 0.246 437 V C 2.395 178.542 176.094 0.088 0.000 1.045 437 V CA 1.031 63.371 62.300 0.067 0.000 1.058 437 V CB -0.417 31.442 31.823 0.060 0.000 0.689 437 V HN 0.278 nan 8.190 nan 0.000 0.461 438 R N 0.417 120.946 120.500 0.049 0.000 2.115 438 R HA -0.233 4.107 4.340 0.000 0.000 0.239 438 R C 2.264 178.601 176.300 0.061 0.000 1.133 438 R CA 2.049 58.173 56.100 0.040 0.000 0.935 438 R CB -0.597 29.715 30.300 0.020 0.000 0.853 438 R HN 0.504 nan 8.270 nan 0.000 0.433 439 A N 0.022 122.869 122.820 0.045 0.000 2.119 439 A HA 0.013 4.333 4.320 0.000 0.000 0.217 439 A C 2.129 179.740 177.584 0.045 0.000 1.153 439 A CA 1.375 53.436 52.037 0.040 0.000 0.692 439 A CB -0.269 18.747 19.000 0.026 0.000 0.799 439 A HN 0.504 nan 8.150 nan 0.000 0.458 440 A N -1.175 121.678 122.820 0.055 0.000 1.897 440 A HA -0.083 4.237 4.320 0.000 0.000 0.215 440 A C 1.957 179.571 177.584 0.049 0.000 1.181 440 A CA 1.650 53.711 52.037 0.041 0.000 0.620 440 A CB -0.737 18.280 19.000 0.028 0.000 0.821 440 A HN 0.707 nan 8.150 nan 0.000 0.443 441 H N -0.665 118.406 119.070 0.002 0.000 2.299 441 H HA 0.117 4.673 4.556 0.000 0.000 0.302 441 H C 2.054 177.383 175.328 0.002 0.000 1.078 441 H CA 1.048 57.097 56.048 0.001 0.000 1.323 441 H CB 0.009 29.771 29.762 0.000 0.000 1.381 441 H HN 0.461 nan 8.280 nan 0.000 0.498 442 A N -0.795 122.111 122.820 0.144 0.000 2.258 442 A HA -0.000 4.320 4.320 0.000 0.000 0.206 442 A C 1.595 179.209 177.584 0.050 0.000 1.222 442 A CA 1.227 53.314 52.037 0.084 0.000 0.822 442 A CB -0.064 18.969 19.000 0.055 0.000 0.804 442 A HN 0.392 nan 8.150 nan 0.000 0.483 443 S N -1.341 114.382 115.700 0.039 0.000 3.056 443 S HA 0.050 4.521 4.470 0.000 0.000 0.255 443 S C 1.503 176.100 174.600 -0.005 0.000 1.079 443 S CA 0.435 58.643 58.200 0.014 0.000 0.810 443 S CB -0.088 63.120 63.200 0.013 0.000 0.810 443 S HN 0.697 nan 8.310 nan 0.000 0.477 444 N N 0.543 119.226 118.700 -0.028 0.000 2.349 444 N HA 0.431 5.171 4.740 0.000 0.000 0.180 444 N C 0.606 176.067 175.510 -0.082 0.000 1.024 444 N CA 0.662 53.674 53.050 -0.063 0.000 0.869 444 N CB 0.511 38.943 38.487 -0.091 0.000 1.022 444 N HN 0.442 nan 8.380 nan 0.000 0.433 445 G N -0.264 108.454 108.800 -0.137 0.000 2.359 445 G HA2 -0.133 3.827 3.960 0.000 0.000 0.314 445 G HA3 -0.133 3.827 3.960 0.000 0.000 0.314 445 G C -0.326 174.438 174.900 -0.226 0.000 1.364 445 G CA -0.197 44.838 45.100 -0.109 0.000 0.978 445 G HN 0.265 nan 8.290 nan 0.000 0.615 446 N N 0.424 119.134 118.700 0.016 0.000 2.225 446 N HA -0.362 4.378 4.740 0.000 0.000 0.198 446 N C 1.760 177.287 175.510 0.028 0.000 0.959 446 N CA 2.956 56.076 53.050 0.116 0.000 0.915 446 N CB -0.412 38.118 38.487 0.072 0.000 1.072 446 N HN 0.806 nan 8.380 nan 0.000 0.620 447 K N -1.267 119.082 120.400 -0.086 0.000 2.141 447 K HA 0.171 4.491 4.320 0.000 0.000 0.202 447 K C 0.473 177.006 176.600 -0.111 0.000 1.045 447 K CA 0.731 56.985 56.287 -0.054 0.000 0.971 447 K CB -0.310 32.166 32.500 -0.040 0.000 0.795 447 K HN 0.279 nan 8.250 nan 0.000 0.459 448 C N 2.498 121.681 119.300 -0.195 0.000 2.484 448 C HA 0.685 5.146 4.460 0.000 0.000 0.494 448 C C -0.031 174.758 174.990 -0.334 0.000 1.052 448 C CA -0.332 58.563 59.018 -0.204 0.000 1.307 448 C CB -1.937 25.733 27.740 -0.116 0.000 1.464 448 C HN 0.458 nan 8.230 nan 0.000 0.564 449 A N 3.421 126.053 122.820 -0.314 0.000 3.024 449 A HA 0.559 4.880 4.320 0.000 0.000 0.251 449 A C 0.228 177.915 177.584 0.172 0.000 1.267 449 A CA 0.260 52.254 52.037 -0.072 0.000 1.050 449 A CB -0.718 18.273 19.000 -0.016 0.000 1.400 449 A HN 0.935 nan 8.150 nan 0.000 0.756 450 G N -0.443 108.402 108.800 0.077 0.000 2.574 450 G HA2 0.600 4.560 3.960 0.000 0.000 0.248 450 G HA3 0.600 4.560 3.960 0.000 0.000 0.248 450 G C -0.300 174.625 174.900 0.042 0.000 1.422 450 G CA -0.555 44.586 45.100 0.068 0.000 1.051 450 G HN 0.721 nan 8.290 nan 0.000 0.560 451 L N 0.102 121.334 121.223 0.015 0.000 2.527 451 L HA 0.270 4.610 4.340 0.000 0.000 0.261 451 L C -0.240 176.606 176.870 -0.039 0.000 1.534 451 L CA -0.471 54.364 54.840 -0.007 0.000 0.757 451 L CB 0.795 42.846 42.059 -0.013 0.000 0.999 451 L HN 0.488 nan 8.230 nan 0.000 0.517 452 N N 0.024 118.710 118.700 -0.022 0.000 2.452 452 N HA 0.143 4.883 4.740 0.000 0.000 0.266 452 N C 1.457 176.909 175.510 -0.097 0.000 1.209 452 N CA 0.085 53.104 53.050 -0.052 0.000 0.929 452 N CB 1.313 39.829 38.487 0.048 0.000 1.063 452 N HN 0.270 nan 8.380 nan 0.000 0.472 453 V N 2.936 122.689 119.914 -0.268 0.000 2.407 453 V HA -0.163 3.957 4.120 0.000 0.000 0.248 453 V C 1.531 177.520 176.094 -0.174 0.000 1.055 453 V CA 1.321 63.458 62.300 -0.272 0.000 1.049 453 V CB -1.217 30.306 31.823 -0.499 0.000 0.662 453 V HN 0.538 nan 8.190 nan 0.000 0.455 454 F N 1.747 121.699 119.950 0.004 0.000 2.015 454 F HA -0.171 4.356 4.527 0.000 0.000 0.297 454 F C 2.852 178.653 175.800 0.003 0.000 1.141 454 F CA 2.493 60.495 58.000 0.003 0.000 1.192 454 F CB -1.808 37.193 39.000 0.003 0.000 0.957 454 F HN 0.107 nan 8.300 nan 0.000 0.491 455 T N -1.464 113.219 114.554 0.214 0.000 2.978 455 T HA 0.227 4.577 4.350 0.000 0.000 0.262 455 T C 1.214 175.953 174.700 0.064 0.000 1.063 455 T CA 1.091 63.258 62.100 0.112 0.000 1.140 455 T CB -0.709 68.211 68.868 0.087 0.000 0.886 455 T HN 0.616 nan 8.240 nan 0.000 0.470 456 G N 1.291 110.118 108.800 0.044 0.000 2.401 456 G HA2 0.168 4.128 3.960 0.000 0.000 0.283 456 G HA3 0.168 4.128 3.960 0.000 0.000 0.283 456 G C -0.058 174.853 174.900 0.018 0.000 1.117 456 G CA 0.025 45.137 45.100 0.019 0.000 1.051 456 G HN 0.846 nan 8.290 nan 0.000 0.510 457 A N -1.178 121.654 122.820 0.019 0.000 2.733 457 A HA 0.967 5.287 4.320 0.000 0.000 0.299 457 A C -0.115 177.478 177.584 0.016 0.000 1.252 457 A CA 0.146 52.193 52.037 0.017 0.000 0.677 457 A CB 1.298 20.311 19.000 0.021 0.000 1.361 457 A HN 1.831 nan 8.150 nan 0.000 0.528 458 V N 0.189 120.114 119.914 0.018 0.000 2.481 458 V HA 0.668 4.788 4.120 0.000 0.000 0.286 458 V C -0.346 175.757 176.094 0.016 0.000 1.042 458 V CA 0.075 62.388 62.300 0.021 0.000 0.928 458 V CB 1.150 32.988 31.823 0.025 0.000 0.986 458 V HN 0.937 nan 8.190 nan 0.000 0.462 459 E N 3.269 123.478 120.200 0.015 0.000 2.416 459 E HA 0.343 4.693 4.350 0.000 0.000 0.273 459 E C -1.379 175.215 176.600 -0.009 0.000 0.935 459 E CA -0.766 55.640 56.400 0.009 0.000 0.784 459 E CB 1.621 31.335 29.700 0.023 0.000 1.301 459 E HN 0.762 nan 8.360 nan 0.000 0.454 460 D N 2.812 123.203 120.400 -0.015 0.000 2.348 460 D HA 0.013 4.653 4.640 0.000 0.000 0.259 460 D C 0.528 176.823 176.300 -0.007 0.000 1.296 460 D CA 0.080 54.064 54.000 -0.027 0.000 0.931 460 D CB 0.675 41.460 40.800 -0.024 0.000 1.067 460 D HN 0.373 nan 8.370 nan 0.000 0.503 461 M N 2.624 122.222 119.600 -0.003 0.000 2.492 461 M HA -0.063 4.417 4.480 0.000 0.000 0.262 461 M C 1.997 178.303 176.300 0.011 0.000 1.090 461 M CA 0.311 55.620 55.300 0.014 0.000 1.110 461 M CB -0.844 31.769 32.600 0.022 0.000 1.407 461 M HN 0.506 nan 8.290 nan 0.000 0.470 462 C N 0.275 119.575 119.300 0.000 0.000 2.457 462 C HA -0.110 4.350 4.460 0.000 0.000 0.278 462 C C 2.383 177.372 174.990 -0.001 0.000 1.309 462 C CA 0.641 59.658 59.018 -0.001 0.000 1.735 462 C CB -0.751 26.984 27.740 -0.007 0.000 1.992 462 C HN 0.567 nan 8.230 nan 0.000 0.493 463 E N 0.956 121.154 120.200 -0.004 0.000 2.130 463 E HA -0.228 4.122 4.350 0.000 0.000 0.196 463 E C 1.236 177.838 176.600 0.005 0.000 0.998 463 E CA 1.520 57.919 56.400 -0.001 0.000 0.806 463 E CB -0.314 29.383 29.700 -0.005 0.000 0.738 463 E HN 0.702 nan 8.360 nan 0.000 0.459 464 N N -0.185 118.522 118.700 0.011 0.000 2.336 464 N HA 0.071 4.811 4.740 0.000 0.000 0.189 464 N C 0.216 175.737 175.510 0.019 0.000 1.113 464 N CA 0.235 53.296 53.050 0.018 0.000 0.858 464 N CB 0.799 39.305 38.487 0.031 0.000 0.970 464 N HN 0.112 nan 8.380 nan 0.000 0.471 465 G N 1.648 110.457 108.800 0.015 0.000 2.064 465 G HA2 -0.204 3.756 3.960 0.000 0.000 0.243 465 G HA3 -0.204 3.756 3.960 0.000 0.000 0.243 465 G C 0.306 175.220 174.900 0.022 0.000 0.594 465 G CA 0.417 45.527 45.100 0.016 0.000 1.003 465 G HN 0.253 nan 8.290 nan 0.000 0.403 466 V N 0.486 120.419 119.914 0.031 0.000 2.162 466 V HA 0.576 4.697 4.120 0.000 0.000 0.255 466 V C 0.239 176.350 176.094 0.027 0.000 1.304 466 V CA -0.836 61.485 62.300 0.035 0.000 1.198 466 V CB 0.141 31.996 31.823 0.053 0.000 1.333 466 V HN 0.406 nan 8.190 nan 0.000 0.493 467 V N 2.827 122.753 119.914 0.021 0.000 3.007 467 V HA 0.674 4.795 4.120 0.000 0.000 0.311 467 V C -0.231 175.872 176.094 0.015 0.000 1.120 467 V CA -0.884 61.427 62.300 0.018 0.000 0.980 467 V CB 2.125 33.957 31.823 0.016 0.000 1.033 467 V HN 0.828 nan 8.190 nan 0.000 0.429 468 E N 2.769 122.977 120.200 0.014 0.000 2.299 468 E HA 0.744 5.094 4.350 0.000 0.000 0.260 468 E C -2.958 173.647 176.600 0.009 0.000 0.944 468 E CA -2.317 54.089 56.400 0.010 0.000 0.815 468 E CB 2.054 31.759 29.700 0.009 0.000 1.252 468 E HN 0.466 nan 8.360 nan 0.000 0.418 469 P HA 0.209 nan 4.420 nan 0.000 0.285 469 P C 0.251 177.553 177.300 0.004 0.000 1.280 469 P CA -0.692 62.411 63.100 0.004 0.000 0.862 469 P CB 1.262 32.963 31.700 0.002 0.000 1.153 470 L N 0.425 121.649 121.223 0.003 0.000 2.017 470 L HA -0.079 4.261 4.340 0.000 0.000 0.208 470 L C 2.200 179.071 176.870 0.001 0.000 1.073 470 L CA 1.672 56.513 54.840 0.002 0.000 0.745 470 L CB -0.196 41.864 42.059 0.002 0.000 0.894 470 L HN 0.417 nan 8.230 nan 0.000 0.432 471 R N -0.545 119.955 120.500 0.000 0.000 2.320 471 R HA -0.035 4.305 4.340 0.000 0.000 0.211 471 R C 1.740 178.040 176.300 0.000 0.000 0.931 471 R CA 0.262 56.362 56.100 -0.000 0.000 1.071 471 R CB 0.100 30.399 30.300 -0.001 0.000 1.025 471 R HN 0.333 nan 8.270 nan 0.000 0.495 472 V N -0.316 119.599 119.914 0.001 0.000 2.244 472 V HA -0.156 3.965 4.120 0.000 0.000 0.244 472 V C 1.772 177.866 176.094 0.001 0.000 1.042 472 V CA 1.450 63.751 62.300 0.001 0.000 1.006 472 V CB -0.216 31.608 31.823 0.001 0.000 0.641 472 V HN 0.216 nan 8.190 nan 0.000 0.446 473 K N 0.646 121.047 120.400 0.002 0.000 2.062 473 K HA -0.050 4.270 4.320 0.000 0.000 0.205 473 K C 2.290 178.892 176.600 0.004 0.000 1.051 473 K CA 1.920 58.209 56.287 0.003 0.000 0.941 473 K CB -0.636 31.865 32.500 0.003 0.000 0.719 473 K HN 0.797 nan 8.250 nan 0.000 0.440 474 T N -1.653 112.902 114.554 0.003 0.000 3.100 474 T HA 0.014 4.364 4.350 0.000 0.000 0.253 474 T C 1.728 176.431 174.700 0.004 0.000 1.118 474 T CA 0.359 62.460 62.100 0.002 0.000 1.058 474 T CB 0.435 69.302 68.868 -0.002 0.000 0.953 474 T HN -0.082 nan 8.240 nan 0.000 0.515 475 Q N 1.847 121.650 119.800 0.005 0.000 2.042 475 Q HA 0.475 4.815 4.340 0.000 0.000 0.194 475 Q C 2.663 178.669 176.000 0.011 0.000 0.978 475 Q CA 1.638 57.445 55.803 0.006 0.000 0.828 475 Q CB -1.156 27.584 28.738 0.004 0.000 0.901 475 Q HN 0.483 nan 8.270 nan 0.000 0.461 476 A N 1.001 123.826 122.820 0.008 0.000 1.940 476 A HA -0.235 4.085 4.320 0.000 0.000 0.221 476 A C 2.023 179.616 177.584 0.015 0.000 1.190 476 A CA 1.868 53.910 52.037 0.007 0.000 0.647 476 A CB -0.906 18.095 19.000 0.002 0.000 0.821 476 A HN 0.443 nan 8.150 nan 0.000 0.457 477 I N -0.890 119.694 120.570 0.023 0.000 2.201 477 I HA -0.212 3.958 4.170 0.000 0.000 0.233 477 I C 2.133 178.290 176.117 0.067 0.000 1.067 477 I CA 1.288 62.615 61.300 0.045 0.000 1.354 477 I CB -1.423 36.609 38.000 0.054 0.000 1.108 477 I HN 0.647 nan 8.210 nan 0.000 0.411 478 Q N 1.220 121.051 119.800 0.052 0.000 2.704 478 Q HA -0.386 3.954 4.340 0.000 0.000 0.478 478 Q C 1.543 177.568 176.000 0.043 0.000 0.507 478 Q CA 2.563 58.389 55.803 0.039 0.000 1.004 478 Q CB -1.584 27.166 28.738 0.021 0.000 1.993 478 Q HN 0.289 nan 8.270 nan 0.000 1.115 479 S N 0.656 116.374 115.700 0.029 0.000 2.434 479 S HA -0.291 4.180 4.470 0.000 0.000 0.243 479 S C 1.797 176.414 174.600 0.029 0.000 1.045 479 S CA 1.544 59.759 58.200 0.025 0.000 1.019 479 S CB -0.734 62.475 63.200 0.015 0.000 0.811 479 S HN 0.618 nan 8.310 nan 0.000 0.485 480 A N 1.453 124.293 122.820 0.034 0.000 1.850 480 A HA 0.403 4.723 4.320 0.000 0.000 0.212 480 A C 2.426 180.047 177.584 0.062 0.000 1.208 480 A CA 1.208 53.265 52.037 0.034 0.000 0.609 480 A CB -1.272 17.738 19.000 0.016 0.000 0.860 480 A HN 0.529 nan 8.150 nan 0.000 0.448 481 A N 0.074 122.960 122.820 0.109 0.000 1.986 481 A HA -0.201 4.120 4.320 0.000 0.000 0.220 481 A C 1.844 179.532 177.584 0.173 0.000 1.171 481 A CA 1.794 53.954 52.037 0.205 0.000 0.640 481 A CB -0.470 18.769 19.000 0.398 0.000 0.811 481 A HN 0.624 nan 8.150 nan 0.000 0.451 482 E N -1.127 119.137 120.200 0.106 0.000 2.400 482 E HA 0.013 4.363 4.350 0.000 0.000 0.195 482 E C 1.783 178.418 176.600 0.058 0.000 1.012 482 E CA 0.664 57.112 56.400 0.079 0.000 0.875 482 E CB 0.026 29.760 29.700 0.056 0.000 0.859 482 E HN 0.509 nan 8.360 nan 0.000 0.498 483 S N 0.693 116.421 115.700 0.048 0.000 2.458 483 S HA -0.079 4.391 4.470 0.000 0.000 0.223 483 S C 2.153 176.771 174.600 0.029 0.000 1.019 483 S CA 1.359 59.578 58.200 0.032 0.000 0.937 483 S CB -0.001 63.212 63.200 0.022 0.000 0.788 483 S HN 0.418 nan 8.310 nan 0.000 0.511 484 T N 0.525 115.102 114.554 0.039 0.000 3.055 484 T HA 0.002 4.352 4.350 0.000 0.000 0.265 484 T C 1.550 176.271 174.700 0.036 0.000 1.111 484 T CA 1.287 63.406 62.100 0.032 0.000 1.118 484 T CB -0.299 68.576 68.868 0.013 0.000 0.909 484 T HN 0.710 nan 8.240 nan 0.000 0.501 485 E N 0.823 121.060 120.200 0.063 0.000 2.076 485 E HA -0.074 4.276 4.350 0.000 0.000 0.190 485 E C 2.393 179.008 176.600 0.024 0.000 0.979 485 E CA 0.614 57.045 56.400 0.052 0.000 0.807 485 E CB -0.589 29.166 29.700 0.093 0.000 0.761 485 E HN 0.531 nan 8.360 nan 0.000 0.454 486 M N 2.054 121.670 119.600 0.027 0.000 2.471 486 M HA -0.282 4.199 4.480 0.000 0.000 0.260 486 M C 2.529 178.830 176.300 0.003 0.000 1.065 486 M CA 2.601 57.909 55.300 0.014 0.000 1.075 486 M CB -0.638 31.970 32.600 0.014 0.000 1.258 486 M HN 0.390 nan 8.290 nan 0.000 0.457 487 L N 0.195 121.421 121.223 0.005 0.000 2.198 487 L HA -0.260 4.080 4.340 0.000 0.000 0.218 487 L C 1.949 178.812 176.870 -0.012 0.000 1.084 487 L CA 1.895 56.734 54.840 -0.001 0.000 0.779 487 L CB -1.122 40.937 42.059 -0.001 0.000 0.890 487 L HN 0.451 nan 8.230 nan 0.000 0.439 488 L N -0.422 120.790 121.223 -0.019 0.000 2.209 488 L HA 0.040 4.380 4.340 0.000 0.000 0.207 488 L C 2.616 179.459 176.870 -0.046 0.000 1.094 488 L CA 1.652 56.467 54.840 -0.041 0.000 0.790 488 L CB -0.523 41.497 42.059 -0.065 0.000 0.932 488 L HN 0.487 nan 8.230 nan 0.000 0.447 489 R N 0.571 121.053 120.500 -0.030 0.000 2.292 489 R HA -0.213 4.127 4.340 0.000 0.000 0.216 489 R C 0.857 177.143 176.300 -0.023 0.000 1.071 489 R CA 1.003 57.087 56.100 -0.026 0.000 0.838 489 R CB -1.691 28.593 30.300 -0.026 0.000 0.800 489 R HN 0.040 nan 8.270 nan 0.000 0.434 490 I N 3.148 123.714 120.570 -0.007 0.000 3.383 490 I HA -0.216 3.954 4.170 0.000 0.000 0.345 490 I C -0.066 176.053 176.117 0.003 0.000 1.097 490 I CA 1.455 62.755 61.300 0.001 0.000 1.828 490 I CB -0.039 37.960 38.000 -0.001 0.000 1.148 490 I HN 0.777 nan 8.210 nan 0.000 0.428 491 D N 5.164 125.574 120.400 0.017 0.000 3.078 491 D HA 0.226 4.866 4.640 0.000 0.000 0.363 491 D C -0.774 175.553 176.300 0.045 0.000 1.391 491 D CA -0.386 53.629 54.000 0.026 0.000 0.754 491 D CB 0.305 41.117 40.800 0.020 0.000 1.238 491 D HN 0.574 nan 8.370 nan 0.000 0.500 492 D N 0.184 120.612 120.400 0.046 0.000 2.301 492 D HA 0.188 4.828 4.640 0.000 0.000 0.203 492 D C -1.560 174.769 176.300 0.048 0.000 1.300 492 D CA -0.438 53.593 54.000 0.050 0.000 0.899 492 D CB 1.485 42.305 40.800 0.034 0.000 1.597 492 D HN -0.031 nan 8.370 nan 0.000 0.538 493 V N 3.254 123.216 119.914 0.081 0.000 2.378 493 V HA 0.548 4.668 4.120 0.000 0.000 0.288 493 V C 0.439 176.555 176.094 0.037 0.000 1.016 493 V CA -0.694 61.649 62.300 0.072 0.000 0.840 493 V CB 1.396 33.273 31.823 0.091 0.000 0.994 493 V HN 0.523 nan 8.190 nan 0.000 0.431 494 I N 4.385 124.957 120.570 0.004 0.000 2.442 494 I HA 0.747 4.917 4.170 0.000 0.000 0.279 494 I C 0.456 176.562 176.117 -0.019 0.000 1.081 494 I CA -0.128 61.158 61.300 -0.024 0.000 1.197 494 I CB 0.895 38.878 38.000 -0.027 0.000 1.394 494 I HN 0.748 nan 8.210 nan 0.000 0.488 495 A N 4.757 127.570 122.820 -0.012 0.000 2.387 495 A HA 1.024 5.345 4.320 0.000 0.000 0.298 495 A C -0.578 177.009 177.584 0.005 0.000 1.165 495 A CA -0.651 51.387 52.037 0.001 0.000 0.814 495 A CB 2.028 21.026 19.000 -0.004 0.000 1.357 495 A HN 0.840 nan 8.150 nan 0.000 0.443 496 A N 0.677 123.504 122.820 0.011 0.000 1.668 496 A HA 0.517 4.838 4.320 0.000 0.000 0.256 496 A C -0.305 177.283 177.584 0.007 0.000 0.976 496 A CA 0.107 52.145 52.037 0.002 0.000 0.862 496 A CB -0.735 18.264 19.000 -0.003 0.000 0.979 496 A HN 1.721 nan 8.150 nan 0.000 0.330 497 E N 0.000 120.206 120.200 0.010 0.000 2.725 497 E HA 0.000 4.350 4.350 0.000 0.000 0.291 497 E CA 0.000 56.405 56.400 0.008 0.000 0.976 497 E CB 0.000 29.703 29.700 0.006 0.000 0.812 497 E HN 0.000 nan 8.360 nan 0.000 0.440