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_B 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 0.000 176.083 176.094 -0.018 0.000 1.182 7 V CA 0.000 62.290 62.300 -0.016 0.000 1.235 7 V CB 0.000 31.814 31.823 -0.015 0.000 1.184 8 L N 1.247 122.457 121.223 -0.022 0.000 2.301 8 L HA 0.890 5.231 4.340 0.001 0.000 0.264 8 L C -2.400 174.457 176.870 -0.022 0.000 1.016 8 L CA -1.812 53.013 54.840 -0.024 0.000 0.821 8 L CB 1.510 43.550 42.059 -0.032 0.000 1.346 8 L HN -0.022 nan 8.230 nan 0.000 0.429 9 P HA 0.271 nan 4.420 nan 0.000 0.284 9 P C -0.983 176.304 177.300 -0.022 0.000 1.258 9 P CA -0.724 62.365 63.100 -0.019 0.000 0.824 9 P CB 0.571 32.261 31.700 -0.017 0.000 1.038 10 E N 1.325 121.514 120.200 -0.019 0.000 2.757 10 E HA -0.343 4.007 4.350 0.001 0.000 0.286 10 E C 0.362 176.949 176.600 -0.021 0.000 1.256 10 E CA 1.198 57.587 56.400 -0.018 0.000 1.178 10 E CB -1.210 28.482 29.700 -0.013 0.000 1.147 10 E HN 0.554 nan 8.360 nan 0.000 0.477 11 N N -2.680 116.009 118.700 -0.018 0.000 2.790 11 N HA -0.334 4.407 4.740 0.001 0.000 0.230 11 N C -0.058 175.433 175.510 -0.032 0.000 0.784 11 N CA 1.643 54.682 53.050 -0.020 0.000 1.409 11 N CB -0.945 37.532 38.487 -0.016 0.000 0.950 11 N HN 0.527 nan 8.380 nan 0.000 0.613 12 M N 1.583 121.158 119.600 -0.041 0.000 2.640 12 M HA -0.169 4.312 4.480 0.001 0.000 0.177 12 M C -0.733 175.512 176.300 -0.091 0.000 1.181 12 M CA 1.173 56.437 55.300 -0.060 0.000 0.671 12 M CB -0.996 31.574 32.600 -0.051 0.000 1.205 12 M HN 0.103 nan 8.290 nan 0.000 0.786 13 K N 1.421 121.741 120.400 -0.133 0.000 2.123 13 K HA 0.719 5.040 4.320 0.001 0.000 0.259 13 K C -0.033 176.342 176.600 -0.375 0.000 0.960 13 K CA -0.758 55.385 56.287 -0.240 0.000 0.872 13 K CB 1.921 34.262 32.500 -0.265 0.000 1.079 13 K HN 0.412 nan 8.250 nan 0.000 0.440 14 R N 2.120 122.327 120.500 -0.488 0.000 2.532 14 R HA 0.352 4.692 4.340 0.001 0.000 0.297 14 R C -1.648 174.397 176.300 -0.425 0.000 0.984 14 R CA -0.572 55.301 56.100 -0.378 0.000 0.884 14 R CB 0.901 31.098 30.300 -0.172 0.000 1.182 14 R HN 0.681 nan 8.270 nan 0.000 0.442 15 Y N 5.007 125.317 120.300 0.016 0.000 2.361 15 Y HA 0.225 4.775 4.550 0.000 0.000 0.337 15 Y C 1.013 176.926 175.900 0.023 0.000 0.965 15 Y CA -1.180 56.934 58.100 0.023 0.000 1.091 15 Y CB 1.962 40.443 38.460 0.035 0.000 1.182 15 Y HN 0.529 nan 8.280 nan 0.000 0.450 16 M N 2.153 121.867 119.600 0.190 0.000 2.043 16 M HA 0.671 5.151 4.480 0.001 0.000 0.159 16 M C 0.792 177.145 176.300 0.089 0.000 0.939 16 M CA 1.135 56.504 55.300 0.114 0.000 1.332 16 M CB -0.514 32.130 32.600 0.073 0.000 0.854 16 M HN 0.836 nan 8.290 nan 0.000 0.653 17 G N -0.563 108.279 108.800 0.071 0.000 2.566 17 G HA2 -0.173 3.788 3.960 0.001 0.000 0.599 17 G HA3 -0.173 3.788 3.960 0.001 0.000 0.599 17 G C -0.054 174.871 174.900 0.041 0.000 1.292 17 G CA 0.163 45.301 45.100 0.063 0.000 0.922 17 G HN 0.879 nan 8.290 nan 0.000 0.514 18 R N 0.117 120.634 120.500 0.029 0.000 2.062 18 R HA -0.046 4.295 4.340 0.001 0.000 0.229 18 R C 2.596 178.896 176.300 -0.000 0.000 1.128 18 R CA 2.099 58.205 56.100 0.009 0.000 0.960 18 R CB -0.557 29.743 30.300 -0.001 0.000 0.855 18 R HN 0.751 nan 8.270 nan 0.000 0.432 19 D N 0.418 120.826 120.400 0.014 0.000 2.897 19 D HA -0.384 4.257 4.640 0.001 0.000 0.560 19 D C 1.470 177.732 176.300 -0.063 0.000 0.994 19 D CA 2.346 56.349 54.000 0.005 0.000 1.576 19 D CB -1.147 39.715 40.800 0.104 0.000 0.580 19 D HN 0.390 nan 8.370 nan 0.000 0.491 20 A N 0.941 123.809 122.820 0.081 0.000 1.855 20 A HA -0.236 4.085 4.320 0.001 0.000 0.215 20 A C 2.362 179.970 177.584 0.039 0.000 1.191 20 A CA 2.610 54.717 52.037 0.116 0.000 0.613 20 A CB -0.709 18.372 19.000 0.135 0.000 0.829 20 A HN 0.507 nan 8.150 nan 0.000 0.442 21 Q N -0.487 119.326 119.800 0.022 0.000 1.991 21 Q HA -0.321 4.020 4.340 0.001 0.000 0.213 21 Q C 2.298 178.283 176.000 -0.025 0.000 1.022 21 Q CA 1.894 57.697 55.803 0.001 0.000 0.877 21 Q CB -0.622 28.114 28.738 -0.003 0.000 0.970 21 Q HN 0.691 nan 8.270 nan 0.000 0.414 22 R N 0.360 120.830 120.500 -0.051 0.000 2.133 22 R HA -0.163 4.178 4.340 0.001 0.000 0.247 22 R C 2.175 178.407 176.300 -0.113 0.000 1.151 22 R CA 1.628 57.679 56.100 -0.081 0.000 0.971 22 R CB -0.125 30.117 30.300 -0.097 0.000 0.866 22 R HN 0.349 nan 8.270 nan 0.000 0.447 23 M N 0.052 119.577 119.600 -0.125 0.000 2.200 23 M HA -0.113 4.367 4.480 0.001 0.000 0.265 23 M C 1.667 177.870 176.300 -0.162 0.000 1.066 23 M CA 1.458 56.665 55.300 -0.156 0.000 1.127 23 M CB -0.701 31.889 32.600 -0.018 0.000 1.379 23 M HN 0.324 nan 8.290 nan 0.000 0.420 24 N N -0.196 118.505 118.700 0.002 0.000 2.446 24 N HA 0.056 4.796 4.740 0.001 0.000 0.179 24 N C 1.650 177.150 175.510 -0.017 0.000 1.054 24 N CA 0.299 53.380 53.050 0.052 0.000 0.905 24 N CB 0.494 39.031 38.487 0.082 0.000 0.973 24 N HN 0.253 nan 8.380 nan 0.000 0.448 25 I N 0.480 121.024 120.570 -0.043 0.000 2.494 25 I HA -0.142 4.028 4.170 0.001 0.000 0.250 25 I C 2.182 178.259 176.117 -0.067 0.000 1.112 25 I CA 0.284 61.558 61.300 -0.043 0.000 1.438 25 I CB 0.076 38.052 38.000 -0.040 0.000 1.111 25 I HN 0.129 nan 8.210 nan 0.000 0.431 26 L N 1.096 122.259 121.223 -0.100 0.000 1.971 26 L HA -0.235 4.106 4.340 0.001 0.000 0.215 26 L C 2.156 178.947 176.870 -0.133 0.000 1.072 26 L CA 2.119 56.885 54.840 -0.123 0.000 0.758 26 L CB -0.230 41.741 42.059 -0.147 0.000 0.889 26 L HN 0.217 nan 8.230 nan 0.000 0.433 27 A N -1.461 121.246 122.820 -0.190 0.000 2.411 27 A HA 0.317 4.638 4.320 0.001 0.000 0.251 27 A C 1.528 179.076 177.584 -0.060 0.000 1.317 27 A CA 0.501 52.441 52.037 -0.162 0.000 0.904 27 A CB -0.483 18.299 19.000 -0.364 0.000 0.993 27 A HN 0.579 nan 8.150 nan 0.000 0.504 28 G N -1.054 107.717 108.800 -0.048 0.000 2.748 28 G HA2 0.076 4.037 3.960 0.001 0.000 0.204 28 G HA3 0.076 4.037 3.960 0.001 0.000 0.204 28 G C 1.504 176.386 174.900 -0.030 0.000 1.095 28 G CA 0.033 45.119 45.100 -0.023 0.000 0.775 28 G HN 0.425 nan 8.290 nan 0.000 0.531 29 R N -0.193 120.283 120.500 -0.040 0.000 2.100 29 R HA 0.169 4.510 4.340 0.001 0.000 0.220 29 R C 2.334 178.613 176.300 -0.036 0.000 1.091 29 R CA 0.247 56.325 56.100 -0.037 0.000 0.986 29 R CB -0.132 30.145 30.300 -0.039 0.000 0.888 29 R HN 0.169 nan 8.270 nan 0.000 0.444 30 I N 1.712 122.258 120.570 -0.041 0.000 2.091 30 I HA -0.291 3.879 4.170 0.001 0.000 0.239 30 I C 2.094 178.195 176.117 -0.027 0.000 1.061 30 I CA 1.675 62.953 61.300 -0.036 0.000 1.317 30 I CB -0.930 37.044 38.000 -0.043 0.000 1.031 30 I HN 0.170 nan 8.210 nan 0.000 0.401 31 I N 0.094 120.650 120.570 -0.024 0.000 3.241 31 I HA -0.110 4.061 4.170 0.001 0.000 0.280 31 I C 2.307 178.413 176.117 -0.018 0.000 1.320 31 I CA 0.922 62.212 61.300 -0.017 0.000 1.413 31 I CB -1.232 36.762 38.000 -0.009 0.000 1.060 31 I HN 0.097 nan 8.210 nan 0.000 0.500 32 A N 1.382 124.188 122.820 -0.023 0.000 1.924 32 A HA -0.029 4.292 4.320 0.001 0.000 0.211 32 A C 2.209 179.776 177.584 -0.027 0.000 1.198 32 A CA 0.370 52.391 52.037 -0.026 0.000 0.657 32 A CB -0.258 18.724 19.000 -0.031 0.000 0.852 32 A HN 0.335 nan 8.150 nan 0.000 0.454 33 E N -0.035 120.149 120.200 -0.027 0.000 2.114 33 E HA -0.188 4.162 4.350 0.001 0.000 0.199 33 E C 2.007 178.593 176.600 -0.022 0.000 1.008 33 E CA 1.926 58.311 56.400 -0.025 0.000 0.810 33 E CB -0.447 29.238 29.700 -0.026 0.000 0.739 33 E HN 0.617 nan 8.360 nan 0.000 0.456 34 T N 0.664 115.206 114.554 -0.020 0.000 2.607 34 T HA -0.156 4.195 4.350 0.001 0.000 0.267 34 T C 1.923 176.612 174.700 -0.018 0.000 1.049 34 T CA 1.925 64.015 62.100 -0.017 0.000 1.162 34 T CB -0.194 68.666 68.868 -0.014 0.000 0.863 34 T HN 0.120 nan 8.240 nan 0.000 0.424 35 V N 1.554 121.457 119.914 -0.019 0.000 3.483 35 V HA 0.246 4.367 4.120 0.001 0.000 0.301 35 V C 2.068 178.149 176.094 -0.022 0.000 1.389 35 V CA -0.149 62.140 62.300 -0.019 0.000 1.101 35 V CB -0.799 31.014 31.823 -0.017 0.000 0.971 35 V HN 0.430 nan 8.190 nan 0.000 0.434 36 R N 2.755 123.240 120.500 -0.025 0.000 2.132 36 R HA -0.195 4.145 4.340 0.001 0.000 0.233 36 R C 1.962 178.246 176.300 -0.028 0.000 1.125 36 R CA 2.400 58.483 56.100 -0.028 0.000 0.914 36 R CB -1.670 28.612 30.300 -0.029 0.000 0.845 36 R HN 0.537 nan 8.270 nan 0.000 0.431 37 S N 0.074 115.759 115.700 -0.025 0.000 2.693 37 S HA -0.086 4.385 4.470 0.001 0.000 0.243 37 S C 1.335 175.923 174.600 -0.021 0.000 0.973 37 S CA 0.991 59.177 58.200 -0.023 0.000 0.969 37 S CB -0.453 62.735 63.200 -0.020 0.000 0.771 37 S HN 0.731 nan 8.310 nan 0.000 0.542 38 T N -1.329 113.212 114.554 -0.022 0.000 3.018 38 T HA 0.269 4.619 4.350 0.001 0.000 0.246 38 T C 0.638 175.325 174.700 -0.022 0.000 1.026 38 T CA -0.496 61.592 62.100 -0.021 0.000 1.081 38 T CB -0.439 68.418 68.868 -0.018 0.000 0.970 38 T HN 0.279 nan 8.240 nan 0.000 0.475 39 L N 3.406 124.615 121.223 -0.024 0.000 2.554 39 L HA 0.417 4.758 4.340 0.001 0.000 0.293 39 L C 0.920 177.771 176.870 -0.031 0.000 1.252 39 L CA 1.512 56.336 54.840 -0.027 0.000 0.862 39 L CB -1.203 40.842 42.059 -0.023 0.000 1.113 39 L HN 0.927 nan 8.230 nan 0.000 0.510 40 G N 4.403 113.184 108.800 -0.031 0.000 2.860 40 G HA2 -0.174 3.787 3.960 0.001 0.000 0.553 40 G HA3 -0.174 3.787 3.960 0.001 0.000 0.553 40 G C -1.435 173.444 174.900 -0.036 0.000 1.439 40 G CA -0.282 44.794 45.100 -0.039 0.000 0.879 40 G HN 0.689 nan 8.290 nan 0.000 0.545 41 P HA -0.108 nan 4.420 nan 0.000 0.218 41 P C 1.245 178.523 177.300 -0.037 0.000 1.150 41 P CA 1.745 64.813 63.100 -0.053 0.000 0.841 41 P CB 0.061 31.676 31.700 -0.142 0.000 0.784 42 K N -1.057 119.316 120.400 -0.046 0.000 2.438 42 K HA 0.353 4.674 4.320 0.001 0.000 0.205 42 K C 0.675 177.260 176.600 -0.025 0.000 1.033 42 K CA -0.155 56.108 56.287 -0.040 0.000 1.089 42 K CB 0.585 33.051 32.500 -0.056 0.000 0.857 42 K HN 0.063 nan 8.250 nan 0.000 0.522 43 G N 0.362 109.150 108.800 -0.020 0.000 2.495 43 G HA2 0.563 4.523 3.960 0.001 0.000 0.318 43 G HA3 0.563 4.523 3.960 0.001 0.000 0.318 43 G C -0.378 174.514 174.900 -0.013 0.000 1.257 43 G CA -0.507 44.582 45.100 -0.019 0.000 0.962 43 G HN -0.147 nan 8.290 nan 0.000 0.483 44 M N 0.890 120.482 119.600 -0.012 0.000 2.494 44 M HA 0.450 4.931 4.480 0.001 0.000 0.300 44 M C -0.342 175.952 176.300 -0.010 0.000 1.189 44 M CA -0.766 54.529 55.300 -0.009 0.000 0.982 44 M CB 1.450 34.045 32.600 -0.008 0.000 1.534 44 M HN 0.395 nan 8.290 nan 0.000 0.488 45 D N 0.599 120.994 120.400 -0.008 0.000 2.511 45 D HA 0.617 5.258 4.640 0.001 0.000 0.276 45 D C -0.820 175.475 176.300 -0.008 0.000 1.220 45 D CA -0.132 53.863 54.000 -0.009 0.000 1.077 45 D CB 0.845 41.641 40.800 -0.006 0.000 1.126 45 D HN 0.289 nan 8.370 nan 0.000 0.583 46 K N -0.086 120.310 120.400 -0.007 0.000 2.575 46 K HA 0.292 4.612 4.320 0.001 0.000 0.255 46 K C -1.196 175.402 176.600 -0.004 0.000 0.953 46 K CA -0.343 55.940 56.287 -0.006 0.000 0.840 46 K CB 2.080 34.575 32.500 -0.007 0.000 1.303 46 K HN 0.246 nan 8.250 nan 0.000 0.438 47 M N 5.535 125.133 119.600 -0.002 0.000 2.289 47 M HA 0.326 4.807 4.480 0.001 0.000 0.354 47 M C -1.417 174.883 176.300 0.000 0.000 1.210 47 M CA -0.691 54.609 55.300 -0.000 0.000 1.174 47 M CB 0.138 32.739 32.600 0.001 0.000 1.297 47 M HN 0.521 nan 8.290 nan 0.000 0.423 48 L N 4.823 126.046 121.223 0.001 0.000 2.350 48 L HA 0.697 5.038 4.340 0.001 0.000 0.275 48 L C -0.653 176.219 176.870 0.003 0.000 1.099 48 L CA -0.842 53.999 54.840 0.001 0.000 0.808 48 L CB 1.117 43.177 42.059 0.001 0.000 1.149 48 L HN 0.344 nan 8.230 nan 0.000 0.442 49 V N 0.669 120.584 119.914 0.003 0.000 2.851 49 V HA 0.371 4.491 4.120 0.001 0.000 0.307 49 V C -0.998 175.099 176.094 0.004 0.000 1.129 49 V CA -0.860 61.442 62.300 0.004 0.000 0.932 49 V CB 2.135 33.960 31.823 0.003 0.000 1.024 49 V HN 0.874 nan 8.190 nan 0.000 0.426 50 D N 1.859 122.262 120.400 0.005 0.000 2.414 50 D HA 0.390 5.030 4.640 0.001 0.000 0.241 50 D C 0.032 176.335 176.300 0.005 0.000 1.008 50 D CA 0.023 54.026 54.000 0.005 0.000 1.001 50 D CB 2.012 42.815 40.800 0.005 0.000 1.277 50 D HN 0.616 nan 8.370 nan 0.000 0.538 51 D N 0.032 120.436 120.400 0.005 0.000 4.578 51 D HA -0.306 4.335 4.640 0.001 0.000 0.244 51 D C 1.699 178.002 176.300 0.005 0.000 0.702 51 D CA 1.966 55.970 54.000 0.005 0.000 1.778 51 D CB -1.032 39.771 40.800 0.005 0.000 1.050 51 D HN 0.465 nan 8.370 nan 0.000 0.397 52 L N 1.145 122.371 121.223 0.005 0.000 2.567 52 L HA 0.344 4.684 4.340 0.001 0.000 0.225 52 L C 2.180 179.052 176.870 0.005 0.000 1.119 52 L CA 0.726 55.569 54.840 0.005 0.000 0.871 52 L CB -0.072 41.990 42.059 0.005 0.000 1.036 52 L HN 0.625 nan 8.230 nan 0.000 0.459 53 G N -0.154 108.649 108.800 0.005 0.000 2.245 53 G HA2 -0.345 3.616 3.960 0.001 0.000 0.264 53 G HA3 -0.345 3.616 3.960 0.001 0.000 0.264 53 G C 0.267 175.170 174.900 0.005 0.000 0.985 53 G CA 0.485 45.587 45.100 0.004 0.000 0.625 53 G HN 0.385 nan 8.290 nan 0.000 0.536 54 D N 0.031 120.434 120.400 0.005 0.000 2.383 54 D HA 0.388 5.029 4.640 0.001 0.000 0.233 54 D C 0.763 177.067 176.300 0.006 0.000 1.233 54 D CA 1.273 55.277 54.000 0.006 0.000 0.881 54 D CB 1.048 41.852 40.800 0.007 0.000 1.212 54 D HN 1.156 nan 8.370 nan 0.000 0.467 55 V N -0.719 119.199 119.914 0.007 0.000 2.733 55 V HA 0.646 4.767 4.120 0.001 0.000 0.306 55 V C -0.795 175.305 176.094 0.009 0.000 1.084 55 V CA -0.879 61.425 62.300 0.007 0.000 0.905 55 V CB 1.906 33.733 31.823 0.007 0.000 1.010 55 V HN 0.205 nan 8.190 nan 0.000 0.424 56 V N 4.952 124.870 119.914 0.007 0.000 2.419 56 V HA 0.420 4.540 4.120 0.001 0.000 0.287 56 V C -0.197 175.901 176.094 0.005 0.000 1.017 56 V CA -0.438 61.866 62.300 0.008 0.000 0.844 56 V CB 1.813 33.640 31.823 0.006 0.000 1.011 56 V HN 0.805 nan 8.190 nan 0.000 0.429 57 V N 5.141 125.059 119.914 0.005 0.000 2.304 57 V HA 0.611 4.732 4.120 0.001 0.000 0.269 57 V C 0.449 176.540 176.094 -0.005 0.000 1.036 57 V CA -0.063 62.237 62.300 0.002 0.000 0.840 57 V CB 0.976 32.802 31.823 0.005 0.000 1.036 57 V HN 1.019 nan 8.190 nan 0.000 0.466 58 T N 0.230 114.780 114.554 -0.008 0.000 2.883 58 T HA 0.423 4.774 4.350 0.001 0.000 0.296 58 T C 0.293 174.984 174.700 -0.015 0.000 1.117 58 T CA -0.590 61.502 62.100 -0.014 0.000 1.006 58 T CB 2.640 71.500 68.868 -0.013 0.000 1.191 58 T HN 0.385 nan 8.240 nan 0.000 0.508 59 N N -0.251 118.437 118.700 -0.019 0.000 2.672 59 N HA 0.017 4.758 4.740 0.001 0.000 0.229 59 N C -0.505 174.995 175.510 -0.018 0.000 1.043 59 N CA -0.134 52.905 53.050 -0.018 0.000 0.932 59 N CB 0.502 38.977 38.487 -0.021 0.000 1.500 59 N HN 0.644 nan 8.380 nan 0.000 0.445 60 D N 0.348 120.737 120.400 -0.020 0.000 2.703 60 D HA -0.040 4.601 4.640 0.001 0.000 0.225 60 D C 1.142 177.433 176.300 -0.014 0.000 1.119 60 D CA 0.554 54.543 54.000 -0.017 0.000 0.845 60 D CB 0.994 41.782 40.800 -0.019 0.000 1.182 60 D HN 0.461 nan 8.370 nan 0.000 0.493 61 G N 2.049 110.841 108.800 -0.013 0.000 2.404 61 G HA2 -0.197 3.763 3.960 0.001 0.000 0.215 61 G HA3 -0.197 3.763 3.960 0.001 0.000 0.215 61 G C 1.563 176.458 174.900 -0.009 0.000 1.174 61 G CA 0.791 45.884 45.100 -0.012 0.000 0.780 61 G HN 0.463 nan 8.290 nan 0.000 0.537 62 V N 0.594 120.504 119.914 -0.007 0.000 2.214 62 V HA -0.203 3.918 4.120 0.001 0.000 0.245 62 V C 2.702 178.794 176.094 -0.004 0.000 1.047 62 V CA 3.347 65.644 62.300 -0.005 0.000 0.998 62 V CB -1.112 30.709 31.823 -0.004 0.000 0.633 62 V HN 0.364 nan 8.190 nan 0.000 0.446 63 T N 0.082 114.633 114.554 -0.004 0.000 2.755 63 T HA -0.264 4.087 4.350 0.001 0.000 0.266 63 T C 1.627 176.325 174.700 -0.003 0.000 1.041 63 T CA 2.584 64.682 62.100 -0.004 0.000 1.147 63 T CB -0.480 68.387 68.868 -0.002 0.000 0.847 63 T HN 0.559 nan 8.240 nan 0.000 0.478 64 I N -0.442 120.126 120.570 -0.005 0.000 2.480 64 I HA 0.033 4.204 4.170 0.001 0.000 0.251 64 I C 1.706 177.822 176.117 -0.002 0.000 1.124 64 I CA 0.912 62.210 61.300 -0.004 0.000 1.444 64 I CB 0.059 38.054 38.000 -0.007 0.000 1.098 64 I HN 0.213 nan 8.210 nan 0.000 0.428 65 L N -0.027 121.196 121.223 -0.001 0.000 2.554 65 L HA 0.101 4.441 4.340 0.001 0.000 0.225 65 L C 2.453 179.326 176.870 0.004 0.000 1.104 65 L CA 0.074 54.915 54.840 0.002 0.000 0.866 65 L CB -0.367 41.693 42.059 0.001 0.000 1.047 65 L HN 0.175 nan 8.230 nan 0.000 0.468 66 R N 0.863 121.365 120.500 0.003 0.000 2.062 66 R HA -0.135 4.206 4.340 0.001 0.000 0.231 66 R C 1.813 178.116 176.300 0.004 0.000 1.136 66 R CA 1.402 57.505 56.100 0.004 0.000 0.948 66 R CB 0.025 30.326 30.300 0.003 0.000 0.845 66 R HN 0.206 nan 8.270 nan 0.000 0.430 67 E N 0.795 120.997 120.200 0.004 0.000 2.047 67 E HA -0.116 4.234 4.350 0.001 0.000 0.191 67 E C 0.664 177.268 176.600 0.005 0.000 0.987 67 E CA 0.828 57.231 56.400 0.004 0.000 0.799 67 E CB -0.229 29.473 29.700 0.004 0.000 0.752 67 E HN 0.265 nan 8.360 nan 0.000 0.449 68 M N 1.631 121.234 119.600 0.005 0.000 2.685 68 M HA -0.013 4.468 4.480 0.001 0.000 0.316 68 M C 0.236 176.542 176.300 0.009 0.000 1.523 68 M CA 0.122 55.425 55.300 0.006 0.000 1.472 68 M CB -0.010 32.592 32.600 0.004 0.000 1.525 68 M HN -0.230 nan 8.290 nan 0.000 0.471 69 S N 3.304 119.010 115.700 0.010 0.000 3.139 69 S HA -0.037 4.434 4.470 0.001 0.000 0.357 69 S C 0.400 175.010 174.600 0.017 0.000 0.831 69 S CA -0.324 57.883 58.200 0.013 0.000 2.150 69 S CB -0.662 62.545 63.200 0.012 0.000 1.191 69 S HN 0.614 nan 8.310 nan 0.000 0.680 70 V N 4.771 124.697 119.914 0.021 0.000 2.832 70 V HA -0.071 4.049 4.120 0.001 0.000 0.299 70 V C 1.168 177.287 176.094 0.042 0.000 1.201 70 V CA 1.620 63.938 62.300 0.031 0.000 1.325 70 V CB 0.231 32.074 31.823 0.033 0.000 0.871 70 V HN 0.989 nan 8.190 nan 0.000 0.509 71 E N 4.280 124.517 120.200 0.061 0.000 2.101 71 E HA 0.046 4.396 4.350 0.001 0.000 0.194 71 E C 0.566 177.229 176.600 0.104 0.000 0.950 71 E CA -0.269 56.177 56.400 0.076 0.000 0.917 71 E CB -0.298 29.451 29.700 0.081 0.000 0.963 71 E HN 0.804 nan 8.360 nan 0.000 0.476 72 H N 2.577 121.656 119.070 0.016 0.000 3.184 72 H HA -0.085 4.471 4.556 0.001 0.000 0.283 72 H C -1.863 173.475 175.328 0.016 0.000 0.894 72 H CA 0.083 56.142 56.048 0.019 0.000 1.391 72 H CB 0.656 30.427 29.762 0.016 0.000 1.269 72 H HN 0.147 nan 8.280 nan 0.000 0.555 73 P HA 0.025 nan 4.420 nan 0.000 0.235 73 P C 0.499 177.788 177.300 -0.019 0.000 1.177 73 P CA 1.488 64.549 63.100 -0.064 0.000 0.785 73 P CB 0.536 32.173 31.700 -0.105 0.000 0.885 74 A N -0.058 122.774 122.820 0.021 0.000 1.997 74 A HA 0.229 4.550 4.320 0.001 0.000 0.212 74 A C 2.145 179.795 177.584 0.110 0.000 1.178 74 A CA 1.046 53.135 52.037 0.086 0.000 0.698 74 A CB -1.288 17.803 19.000 0.153 0.000 0.842 74 A HN 0.118 nan 8.150 nan 0.000 0.458 75 A N 0.232 123.150 122.820 0.163 0.000 2.024 75 A HA -0.134 4.187 4.320 0.001 0.000 0.220 75 A C 1.874 179.497 177.584 0.064 0.000 1.164 75 A CA 1.606 53.708 52.037 0.108 0.000 0.643 75 A CB -0.255 18.832 19.000 0.146 0.000 0.806 75 A HN 0.388 nan 8.150 nan 0.000 0.451 76 K N -1.109 119.324 120.400 0.055 0.000 2.374 76 K HA 0.249 4.569 4.320 0.001 0.000 0.196 76 K C 0.939 177.553 176.600 0.022 0.000 1.023 76 K CA 0.254 56.560 56.287 0.032 0.000 1.103 76 K CB 0.156 32.670 32.500 0.024 0.000 0.848 76 K HN 0.589 nan 8.250 nan 0.000 0.528 77 M N 0.042 119.658 119.600 0.026 0.000 2.495 77 M HA 0.096 4.577 4.480 0.001 0.000 0.237 77 M C 1.634 177.946 176.300 0.021 0.000 1.131 77 M CA 0.527 55.839 55.300 0.021 0.000 1.032 77 M CB 0.122 32.734 32.600 0.021 0.000 1.513 77 M HN -0.017 nan 8.290 nan 0.000 0.488 78 L N -0.379 120.858 121.223 0.023 0.000 2.408 78 L HA 0.099 4.439 4.340 0.001 0.000 0.215 78 L C 2.047 178.924 176.870 0.012 0.000 1.081 78 L CA 0.208 55.058 54.840 0.017 0.000 0.840 78 L CB 0.097 42.166 42.059 0.018 0.000 1.002 78 L HN 0.175 nan 8.230 nan 0.000 0.468 79 I N 0.430 121.008 120.570 0.012 0.000 2.286 79 I HA -0.269 3.902 4.170 0.001 0.000 0.248 79 I C 2.078 178.199 176.117 0.007 0.000 1.115 79 I CA 1.594 62.899 61.300 0.008 0.000 1.392 79 I CB -0.148 37.857 38.000 0.009 0.000 1.065 79 I HN 0.248 nan 8.210 nan 0.000 0.418 80 E N -0.707 119.499 120.200 0.009 0.000 2.396 80 E HA -0.150 4.200 4.350 0.001 0.000 0.200 80 E C 1.925 178.530 176.600 0.008 0.000 1.023 80 E CA 1.083 57.488 56.400 0.008 0.000 0.857 80 E CB 0.051 29.757 29.700 0.010 0.000 0.775 80 E HN 0.447 nan 8.360 nan 0.000 0.525 81 V N -0.966 118.953 119.914 0.008 0.000 3.431 81 V HA 0.161 4.282 4.120 0.001 0.000 0.253 81 V C 1.688 177.785 176.094 0.004 0.000 1.184 81 V CA 0.994 63.299 62.300 0.008 0.000 1.104 81 V CB 0.610 32.439 31.823 0.010 0.000 0.799 81 V HN 0.235 nan 8.190 nan 0.000 0.462 82 A N -0.312 122.509 122.820 0.002 0.000 2.267 82 A HA 0.129 4.450 4.320 0.001 0.000 0.213 82 A C 2.112 179.696 177.584 -0.000 0.000 1.192 82 A CA 0.639 52.676 52.037 -0.001 0.000 0.851 82 A CB -0.033 18.965 19.000 -0.003 0.000 0.881 82 A HN 0.386 nan 8.150 nan 0.000 0.494 83 K N -0.165 120.236 120.400 0.002 0.000 1.975 83 K HA -0.092 4.229 4.320 0.001 0.000 0.210 83 K C 1.895 178.496 176.600 0.002 0.000 1.041 83 K CA 1.752 58.040 56.287 0.002 0.000 0.942 83 K CB -0.452 32.050 32.500 0.003 0.000 0.729 83 K HN 0.323 nan 8.250 nan 0.000 0.439 84 T N 1.425 115.981 114.554 0.003 0.000 2.684 84 T HA -0.240 4.110 4.350 0.001 0.000 0.267 84 T C 1.797 176.498 174.700 0.003 0.000 1.032 84 T CA 1.911 64.013 62.100 0.003 0.000 1.155 84 T CB -0.306 68.565 68.868 0.005 0.000 0.857 84 T HN 0.264 nan 8.240 nan 0.000 0.457 85 Q N 0.432 120.233 119.800 0.002 0.000 2.297 85 Q HA -0.016 4.325 4.340 0.001 0.000 0.204 85 Q C 2.162 178.161 176.000 -0.001 0.000 0.962 85 Q CA 0.949 56.752 55.803 0.001 0.000 0.879 85 Q CB -0.247 28.491 28.738 -0.000 0.000 0.947 85 Q HN 0.366 nan 8.270 nan 0.000 0.462 86 E N -0.052 120.147 120.200 -0.001 0.000 2.216 86 E HA -0.107 4.244 4.350 0.001 0.000 0.192 86 E C 1.212 177.811 176.600 -0.001 0.000 0.988 86 E CA 0.773 57.172 56.400 -0.002 0.000 0.834 86 E CB 0.247 29.945 29.700 -0.004 0.000 0.772 86 E HN 0.263 nan 8.360 nan 0.000 0.479 87 K N 0.214 120.614 120.400 -0.000 0.000 1.991 87 K HA -0.059 4.262 4.320 0.001 0.000 0.208 87 K C 0.863 177.463 176.600 -0.000 0.000 1.038 87 K CA 1.278 57.565 56.287 0.000 0.000 0.943 87 K CB 0.077 32.577 32.500 0.001 0.000 0.736 87 K HN 0.110 nan 8.250 nan 0.000 0.440 88 E N -1.325 118.875 120.200 0.000 0.000 3.440 88 E HA -0.347 4.004 4.350 0.001 0.000 0.328 88 E C 1.022 177.622 176.600 -0.001 0.000 1.514 88 E CA 1.172 57.572 56.400 0.000 0.000 1.926 88 E CB -1.271 28.430 29.700 0.001 0.000 1.874 88 E HN 0.103 nan 8.360 nan 0.000 0.471 89 V N 0.719 120.632 119.914 -0.001 0.000 2.302 89 V HA 0.057 4.178 4.120 0.001 0.000 0.243 89 V C 1.652 177.745 176.094 -0.003 0.000 1.036 89 V CA 3.964 66.263 62.300 -0.002 0.000 1.020 89 V CB -0.343 31.479 31.823 -0.002 0.000 0.657 89 V HN 1.048 nan 8.190 nan 0.000 0.453 90 G N -0.853 107.945 108.800 -0.003 0.000 2.491 90 G HA2 -0.175 3.786 3.960 0.001 0.000 0.203 90 G HA3 -0.175 3.786 3.960 0.001 0.000 0.203 90 G C 0.127 175.023 174.900 -0.006 0.000 1.052 90 G CA 0.175 45.272 45.100 -0.004 0.000 0.675 90 G HN 0.507 nan 8.290 nan 0.000 0.504 91 D N 1.658 122.055 120.400 -0.006 0.000 2.312 91 D HA 0.487 5.127 4.640 0.001 0.000 0.252 91 D C 1.176 177.472 176.300 -0.008 0.000 1.150 91 D CA 1.625 55.621 54.000 -0.007 0.000 0.870 91 D CB 0.783 41.579 40.800 -0.005 0.000 1.153 91 D HN 1.411 nan 8.370 nan 0.000 0.457 92 G N 2.244 111.038 108.800 -0.010 0.000 2.154 92 G HA2 -0.295 3.665 3.960 0.001 0.000 0.186 92 G HA3 -0.295 3.665 3.960 0.001 0.000 0.186 92 G C 1.137 176.030 174.900 -0.012 0.000 1.000 92 G CA 0.592 45.685 45.100 -0.011 0.000 0.664 92 G HN 0.550 nan 8.290 nan 0.000 0.513 93 T N -1.255 113.292 114.554 -0.011 0.000 2.614 93 T HA -0.150 4.201 4.350 0.001 0.000 0.263 93 T C 2.701 177.393 174.700 -0.014 0.000 1.055 93 T CA 2.951 65.044 62.100 -0.011 0.000 1.162 93 T CB -1.350 67.512 68.868 -0.010 0.000 0.863 93 T HN 1.223 nan 8.240 nan 0.000 0.414 94 T N -0.087 114.457 114.554 -0.017 0.000 2.869 94 T HA -0.124 4.227 4.350 0.001 0.000 0.270 94 T C 1.882 176.566 174.700 -0.026 0.000 1.082 94 T CA 1.801 63.888 62.100 -0.021 0.000 1.123 94 T CB -1.306 67.548 68.868 -0.022 0.000 0.856 94 T HN 0.487 nan 8.240 nan 0.000 0.499 95 T N 0.756 115.294 114.554 -0.025 0.000 3.065 95 T HA 0.545 4.896 4.350 0.001 0.000 0.252 95 T C 2.133 176.812 174.700 -0.035 0.000 1.099 95 T CA 0.318 62.398 62.100 -0.033 0.000 1.063 95 T CB -0.182 68.668 68.868 -0.029 0.000 0.948 95 T HN 0.612 nan 8.240 nan 0.000 0.506 96 A N 1.704 124.509 122.820 -0.025 0.000 1.935 96 A HA 0.190 4.511 4.320 0.001 0.000 0.211 96 A C 2.102 179.670 177.584 -0.027 0.000 1.388 96 A CA 1.283 53.308 52.037 -0.019 0.000 0.600 96 A CB -1.100 17.896 19.000 -0.008 0.000 1.011 96 A HN 0.226 nan 8.150 nan 0.000 0.481 97 V N -1.481 118.421 119.914 -0.020 0.000 0.670 97 V HA -0.438 3.682 4.120 0.001 0.000 0.092 97 V C 2.147 178.221 176.094 -0.033 0.000 1.222 97 V CA 2.834 65.121 62.300 -0.022 0.000 3.193 97 V CB -1.998 29.814 31.823 -0.017 0.000 0.429 97 V HN 0.449 nan 8.190 nan 0.000 0.411 98 V N 0.797 120.687 119.914 -0.040 0.000 2.270 98 V HA -0.161 3.959 4.120 0.001 0.000 0.245 98 V C 2.221 178.276 176.094 -0.064 0.000 1.043 98 V CA 2.179 64.451 62.300 -0.046 0.000 1.014 98 V CB -0.399 31.396 31.823 -0.046 0.000 0.645 98 V HN 0.786 nan 8.190 nan 0.000 0.447 99 V N -1.050 118.815 119.914 -0.081 0.000 3.383 99 V HA 0.041 4.162 4.120 0.001 0.000 0.272 99 V C 2.090 178.095 176.094 -0.148 0.000 1.181 99 V CA 1.429 63.654 62.300 -0.126 0.000 1.171 99 V CB -1.451 30.285 31.823 -0.145 0.000 0.800 99 V HN 0.364 nan 8.190 nan 0.000 0.515 100 A N 1.270 124.036 122.820 -0.090 0.000 1.935 100 A HA 0.304 4.625 4.320 0.001 0.000 0.214 100 A C 2.285 179.845 177.584 -0.041 0.000 1.178 100 A CA 1.196 53.199 52.037 -0.058 0.000 0.640 100 A CB -1.026 17.955 19.000 -0.031 0.000 0.825 100 A HN 0.592 nan 8.150 nan 0.000 0.447 101 G N -0.198 108.576 108.800 -0.042 0.000 2.404 101 G HA2 -0.185 3.775 3.960 0.001 0.000 0.215 101 G HA3 -0.185 3.775 3.960 0.001 0.000 0.215 101 G C 1.457 176.331 174.900 -0.044 0.000 1.174 101 G CA 1.315 46.392 45.100 -0.037 0.000 0.780 101 G HN 0.516 nan 8.290 nan 0.000 0.537 102 E N 0.201 120.363 120.200 -0.064 0.000 2.001 102 E HA -0.084 4.267 4.350 0.001 0.000 0.195 102 E C 2.344 178.903 176.600 -0.068 0.000 1.002 102 E CA 0.595 56.954 56.400 -0.069 0.000 0.819 102 E CB -0.728 28.912 29.700 -0.101 0.000 0.769 102 E HN 0.134 nan 8.360 nan 0.000 0.454 103 L N 0.306 121.462 121.223 -0.112 0.000 2.326 103 L HA -0.243 4.097 4.340 0.001 0.000 0.218 103 L C 2.063 178.945 176.870 0.019 0.000 1.098 103 L CA 1.408 56.188 54.840 -0.099 0.000 0.778 103 L CB -0.312 41.609 42.059 -0.230 0.000 0.893 103 L HN 0.301 nan 8.230 nan 0.000 0.440 104 L N -1.316 119.908 121.223 0.002 0.000 2.102 104 L HA -0.131 4.209 4.340 0.001 0.000 0.202 104 L C 2.663 179.542 176.870 0.016 0.000 1.076 104 L CA 1.322 56.172 54.840 0.017 0.000 0.761 104 L CB -0.514 41.544 42.059 -0.002 0.000 0.921 104 L HN 0.339 nan 8.230 nan 0.000 0.444 105 R N 0.255 120.754 120.500 -0.002 0.000 2.115 105 R HA -0.140 4.201 4.340 0.001 0.000 0.230 105 R C 2.085 178.391 176.300 0.010 0.000 1.111 105 R CA 0.971 57.069 56.100 -0.004 0.000 0.976 105 R CB -0.042 30.248 30.300 -0.016 0.000 0.870 105 R HN 0.140 nan 8.270 nan 0.000 0.445 106 K N 1.031 121.444 120.400 0.021 0.000 2.026 106 K HA -0.049 4.272 4.320 0.001 0.000 0.208 106 K C 2.130 178.783 176.600 0.087 0.000 1.048 106 K CA 1.544 57.861 56.287 0.050 0.000 0.929 106 K CB -0.534 31.993 32.500 0.045 0.000 0.713 106 K HN 0.326 nan 8.250 nan 0.000 0.439 107 A N 1.361 124.246 122.820 0.108 0.000 2.024 107 A HA -0.229 4.092 4.320 0.001 0.000 0.220 107 A C 2.165 179.759 177.584 0.017 0.000 1.164 107 A CA 1.887 53.967 52.037 0.072 0.000 0.643 107 A CB -0.418 18.627 19.000 0.075 0.000 0.806 107 A HN 0.488 nan 8.150 nan 0.000 0.451 108 E N 0.175 120.385 120.200 0.017 0.000 2.023 108 E HA -0.250 4.100 4.350 0.001 0.000 0.196 108 E C 1.818 178.422 176.600 0.006 0.000 1.003 108 E CA 1.646 58.048 56.400 0.002 0.000 0.809 108 E CB -0.212 29.487 29.700 -0.002 0.000 0.755 108 E HN 0.757 nan 8.360 nan 0.000 0.449 109 E N 0.070 120.280 120.200 0.016 0.000 2.273 109 E HA -0.211 4.140 4.350 0.001 0.000 0.198 109 E C 2.128 178.738 176.600 0.016 0.000 1.002 109 E CA 1.085 57.495 56.400 0.016 0.000 0.828 109 E CB -0.141 29.573 29.700 0.022 0.000 0.747 109 E HN 0.388 nan 8.360 nan 0.000 0.491 110 L N -0.055 121.178 121.223 0.017 0.000 2.202 110 L HA -0.035 4.306 4.340 0.001 0.000 0.205 110 L C 2.188 179.053 176.870 -0.008 0.000 1.083 110 L CA 0.454 55.298 54.840 0.007 0.000 0.790 110 L CB -0.371 41.691 42.059 0.005 0.000 0.942 110 L HN 0.047 nan 8.230 nan 0.000 0.452 111 L N 0.403 121.615 121.223 -0.019 0.000 2.349 111 L HA -0.184 4.157 4.340 0.001 0.000 0.220 111 L C 1.813 178.681 176.870 -0.003 0.000 1.130 111 L CA 0.902 55.728 54.840 -0.024 0.000 0.791 111 L CB -0.703 41.334 42.059 -0.037 0.000 0.918 111 L HN 0.368 nan 8.230 nan 0.000 0.444 112 D N -0.500 119.901 120.400 0.001 0.000 2.289 112 D HA -0.120 4.521 4.640 0.001 0.000 0.207 112 D C 1.886 178.192 176.300 0.010 0.000 0.966 112 D CA 0.556 54.560 54.000 0.006 0.000 0.868 112 D CB -0.121 40.681 40.800 0.004 0.000 0.943 112 D HN 0.378 nan 8.370 nan 0.000 0.514 113 Q N 1.661 121.468 119.800 0.011 0.000 2.362 113 Q HA -0.302 4.039 4.340 0.001 0.000 0.216 113 Q C 0.814 176.825 176.000 0.020 0.000 1.002 113 Q CA 1.181 56.992 55.803 0.014 0.000 0.937 113 Q CB -1.617 27.129 28.738 0.013 0.000 0.937 113 Q HN 0.507 nan 8.270 nan 0.000 0.424 114 N N -0.625 118.089 118.700 0.024 0.000 2.588 114 N HA -0.251 4.489 4.740 0.001 0.000 0.245 114 N C -0.274 175.273 175.510 0.062 0.000 1.211 114 N CA 0.191 53.267 53.050 0.042 0.000 0.760 114 N CB -0.589 37.927 38.487 0.047 0.000 1.160 114 N HN 0.422 nan 8.380 nan 0.000 0.569 115 V N 1.070 121.006 119.914 0.038 0.000 2.644 115 V HA -0.124 3.996 4.120 0.001 0.000 0.303 115 V C 0.540 176.674 176.094 0.066 0.000 1.058 115 V CA 0.076 62.404 62.300 0.046 0.000 1.228 115 V CB -0.017 31.818 31.823 0.020 0.000 0.861 115 V HN 0.334 nan 8.190 nan 0.000 0.484 116 H N 8.135 127.193 119.070 -0.020 0.000 2.655 116 H HA -0.079 4.477 4.556 0.001 0.000 0.223 116 H C -1.292 174.013 175.328 -0.039 0.000 0.642 116 H CA 0.849 56.882 56.048 -0.024 0.000 1.452 116 H CB -0.014 29.738 29.762 -0.017 0.000 1.381 116 H HN 0.725 nan 8.280 nan 0.000 0.380 117 P HA -0.224 nan 4.420 nan 0.000 0.221 117 P C 1.227 178.367 177.300 -0.266 0.000 1.141 117 P CA 1.763 64.601 63.100 -0.435 0.000 0.794 117 P CB 0.107 31.471 31.700 -0.560 0.000 0.764 118 T N -1.480 112.966 114.554 -0.179 0.000 2.822 118 T HA -0.142 4.209 4.350 0.001 0.000 0.270 118 T C 1.814 176.493 174.700 -0.035 0.000 1.064 118 T CA 0.872 62.957 62.100 -0.026 0.000 1.131 118 T CB -0.488 68.442 68.868 0.104 0.000 0.858 118 T HN 0.023 nan 8.240 nan 0.000 0.483 119 I N 1.249 121.789 120.570 -0.049 0.000 2.272 119 I HA -0.027 4.143 4.170 0.001 0.000 0.235 119 I C 2.846 178.900 176.117 -0.106 0.000 1.071 119 I CA 0.802 62.075 61.300 -0.046 0.000 1.374 119 I CB -1.483 36.502 38.000 -0.026 0.000 1.121 119 I HN 0.212 nan 8.210 nan 0.000 0.420 120 V N 2.119 121.919 119.914 -0.189 0.000 2.280 120 V HA -0.279 3.842 4.120 0.001 0.000 0.258 120 V C 2.375 178.121 176.094 -0.581 0.000 1.081 120 V CA 3.196 65.235 62.300 -0.435 0.000 1.070 120 V CB -0.912 30.672 31.823 -0.397 0.000 0.666 120 V HN 0.322 nan 8.190 nan 0.000 0.450 121 V N -2.931 116.803 119.914 -0.300 0.000 2.878 121 V HA 0.086 4.206 4.120 0.001 0.000 0.250 121 V C 2.529 178.596 176.094 -0.046 0.000 1.075 121 V CA 1.775 63.973 62.300 -0.170 0.000 1.096 121 V CB -0.985 30.786 31.823 -0.087 0.000 0.724 121 V HN 0.516 nan 8.190 nan 0.000 0.467 122 K N 0.885 121.263 120.400 -0.037 0.000 2.504 122 K HA 0.089 4.410 4.320 0.001 0.000 0.195 122 K C 1.927 178.564 176.600 0.062 0.000 1.036 122 K CA 0.938 57.233 56.287 0.013 0.000 0.984 122 K CB -0.094 32.411 32.500 0.008 0.000 0.788 122 K HN 0.667 nan 8.250 nan 0.000 0.488 123 G N -0.204 108.657 108.800 0.102 0.000 2.447 123 G HA2 -0.174 3.786 3.960 0.001 0.000 0.211 123 G HA3 -0.174 3.786 3.960 0.001 0.000 0.211 123 G C 1.005 176.100 174.900 0.325 0.000 1.184 123 G CA 0.069 45.323 45.100 0.257 0.000 0.813 123 G HN 0.163 nan 8.290 nan 0.000 0.540 124 Y N 2.160 122.443 120.300 -0.027 0.000 2.421 124 Y HA -0.092 4.458 4.550 0.001 0.000 0.292 124 Y C 3.026 178.808 175.900 -0.198 0.000 1.136 124 Y CA 0.761 58.804 58.100 -0.095 0.000 1.255 124 Y CB -0.482 38.074 38.460 0.160 0.000 0.991 124 Y HN 0.518 nan 8.280 nan 0.000 0.552 125 Q N -0.256 119.574 119.800 0.050 0.000 1.961 125 Q HA -0.044 4.297 4.340 0.001 0.000 0.197 125 Q C 2.507 178.472 176.000 -0.059 0.000 0.977 125 Q CA 0.976 56.774 55.803 -0.009 0.000 0.830 125 Q CB -0.973 27.779 28.738 0.023 0.000 0.896 125 Q HN 0.142 nan 8.270 nan 0.000 0.437 126 A N 1.809 124.616 122.820 -0.021 0.000 1.997 126 A HA -0.317 4.004 4.320 0.001 0.000 0.226 126 A C 2.340 179.854 177.584 -0.116 0.000 1.327 126 A CA 2.901 54.928 52.037 -0.017 0.000 0.693 126 A CB -1.248 17.798 19.000 0.077 0.000 0.832 126 A HN 0.714 nan 8.150 nan 0.000 0.497 127 A N -2.021 120.683 122.820 -0.194 0.000 2.218 127 A HA 0.562 4.883 4.320 0.001 0.000 0.209 127 A C 2.091 179.354 177.584 -0.534 0.000 1.168 127 A CA 1.297 53.110 52.037 -0.374 0.000 0.804 127 A CB -0.435 18.277 19.000 -0.480 0.000 0.834 127 A HN 1.143 nan 8.150 nan 0.000 0.482 128 A N -0.827 121.749 122.820 -0.406 0.000 1.997 128 A HA 0.106 4.427 4.320 0.001 0.000 0.212 128 A C 1.957 179.445 177.584 -0.159 0.000 1.178 128 A CA 1.057 52.932 52.037 -0.270 0.000 0.698 128 A CB -0.113 18.779 19.000 -0.180 0.000 0.842 128 A HN 0.477 nan 8.150 nan 0.000 0.458 129 Q N -0.426 119.282 119.800 -0.154 0.000 2.204 129 Q HA 0.042 4.382 4.340 0.001 0.000 0.198 129 Q C 2.055 177.962 176.000 -0.156 0.000 0.946 129 Q CA 1.050 56.783 55.803 -0.117 0.000 0.859 129 Q CB -0.027 28.665 28.738 -0.077 0.000 0.946 129 Q HN 0.555 nan 8.270 nan 0.000 0.474 130 K N 0.610 120.867 120.400 -0.239 0.000 2.097 130 K HA -0.138 4.182 4.320 0.001 0.000 0.206 130 K C 1.894 178.331 176.600 -0.272 0.000 1.049 130 K CA 1.230 57.315 56.287 -0.337 0.000 0.933 130 K CB -0.078 32.024 32.500 -0.663 0.000 0.717 130 K HN 0.198 nan 8.250 nan 0.000 0.442 131 A N 1.044 123.721 122.820 -0.238 0.000 1.898 131 A HA -0.175 4.146 4.320 0.001 0.000 0.216 131 A C 2.038 179.557 177.584 -0.108 0.000 1.181 131 A CA 1.121 53.063 52.037 -0.159 0.000 0.620 131 A CB -0.438 18.489 19.000 -0.122 0.000 0.819 131 A HN 0.307 nan 8.150 nan 0.000 0.442 132 Q N 0.221 119.961 119.800 -0.101 0.000 2.029 132 Q HA -0.228 4.113 4.340 0.001 0.000 0.209 132 Q C 1.831 177.791 176.000 -0.067 0.000 0.999 132 Q CA 2.253 58.015 55.803 -0.068 0.000 0.857 132 Q CB -0.589 28.114 28.738 -0.058 0.000 0.926 132 Q HN 0.837 nan 8.270 nan 0.000 0.415 133 E N -0.230 119.918 120.200 -0.087 0.000 2.347 133 E HA -0.080 4.271 4.350 0.001 0.000 0.196 133 E C 2.004 178.563 176.600 -0.068 0.000 1.008 133 E CA 0.453 56.809 56.400 -0.074 0.000 0.852 133 E CB -0.001 29.648 29.700 -0.084 0.000 0.783 133 E HN 0.309 nan 8.360 nan 0.000 0.505 134 L N -0.105 121.067 121.223 -0.085 0.000 2.202 134 L HA -0.028 4.312 4.340 0.001 0.000 0.205 134 L C 2.233 179.074 176.870 -0.048 0.000 1.083 134 L CA 0.311 55.111 54.840 -0.067 0.000 0.790 134 L CB -0.334 41.675 42.059 -0.083 0.000 0.942 134 L HN 0.050 nan 8.230 nan 0.000 0.452 135 L N 1.005 122.200 121.223 -0.046 0.000 1.989 135 L HA -0.240 4.101 4.340 0.001 0.000 0.211 135 L C 2.800 179.657 176.870 -0.021 0.000 1.071 135 L CA 1.791 56.612 54.840 -0.032 0.000 0.749 135 L CB -0.703 41.340 42.059 -0.026 0.000 0.890 135 L HN 0.317 nan 8.230 nan 0.000 0.431 136 K N -0.511 119.875 120.400 -0.023 0.000 2.189 136 K HA -0.265 4.056 4.320 0.001 0.000 0.207 136 K C 1.640 178.233 176.600 -0.011 0.000 1.046 136 K CA 2.095 58.372 56.287 -0.016 0.000 0.928 136 K CB -1.085 31.406 32.500 -0.015 0.000 0.720 136 K HN 0.525 nan 8.250 nan 0.000 0.458 137 T N -1.046 113.501 114.554 -0.012 0.000 3.060 137 T HA 0.163 4.514 4.350 0.001 0.000 0.249 137 T C 1.973 176.678 174.700 0.008 0.000 1.079 137 T CA 0.052 62.150 62.100 -0.003 0.000 1.013 137 T CB -0.282 68.582 68.868 -0.006 0.000 0.975 137 T HN 0.421 nan 8.240 nan 0.000 0.518 138 I N 0.009 120.584 120.570 0.008 0.000 2.480 138 I HA 0.380 4.551 4.170 0.001 0.000 0.251 138 I C 1.422 177.559 176.117 0.034 0.000 1.124 138 I CA 0.050 61.367 61.300 0.028 0.000 1.444 138 I CB -1.541 36.470 38.000 0.018 0.000 1.098 138 I HN 0.204 nan 8.210 nan 0.000 0.428 139 A N 2.681 125.510 122.820 0.015 0.000 1.840 139 A HA -0.189 4.132 4.320 0.001 0.000 0.341 139 A C 0.636 178.229 177.584 0.016 0.000 0.784 139 A CA 0.914 52.958 52.037 0.012 0.000 1.538 139 A CB -1.712 17.290 19.000 0.004 0.000 0.619 139 A HN 0.809 nan 8.150 nan 0.000 0.209 140 C N 4.641 123.952 119.300 0.017 0.000 2.246 140 C HA 0.649 5.109 4.460 0.001 0.000 0.329 140 C C 0.182 175.178 174.990 0.009 0.000 1.221 140 C CA -1.002 58.025 59.018 0.015 0.000 1.697 140 C CB -0.268 27.483 27.740 0.018 0.000 2.312 140 C HN 0.777 nan 8.230 nan 0.000 0.509 141 E N 2.940 123.144 120.200 0.007 0.000 2.319 141 E HA 0.642 4.992 4.350 0.001 0.000 0.268 141 E C -0.570 176.032 176.600 0.004 0.000 1.050 141 E CA -0.549 55.854 56.400 0.005 0.000 0.878 141 E CB 2.005 31.707 29.700 0.003 0.000 1.066 141 E HN 0.680 nan 8.360 nan 0.000 0.406 142 V N 0.472 120.387 119.914 0.003 0.000 3.108 142 V HA 0.423 4.543 4.120 0.001 0.000 0.287 142 V C -0.269 175.827 176.094 0.002 0.000 1.436 142 V CA -0.340 61.962 62.300 0.003 0.000 1.001 142 V CB 2.026 33.851 31.823 0.003 0.000 1.141 142 V HN 0.856 nan 8.190 nan 0.000 0.443 143 G N 2.908 111.709 108.800 0.001 0.000 2.474 143 G HA2 0.423 4.384 3.960 0.001 0.000 0.233 143 G HA3 0.423 4.384 3.960 0.001 0.000 0.233 143 G C 1.197 176.098 174.900 0.001 0.000 1.278 143 G CA 0.406 45.507 45.100 0.001 0.000 0.861 143 G HN 1.803 nan 8.290 nan 0.000 0.567 144 A N 1.576 124.396 122.820 0.000 0.000 1.852 144 A HA -0.197 4.123 4.320 0.001 0.000 0.217 144 A C 2.222 179.805 177.584 -0.001 0.000 1.215 144 A CA 2.270 54.307 52.037 -0.000 0.000 0.641 144 A CB -0.568 18.431 19.000 -0.001 0.000 0.838 144 A HN 0.820 nan 8.150 nan 0.000 0.450 145 Q N -0.606 119.194 119.800 -0.001 0.000 2.282 145 Q HA 0.214 4.554 4.340 0.001 0.000 0.206 145 Q C -0.315 175.685 176.000 -0.001 0.000 0.878 145 Q CA -0.005 55.797 55.803 -0.002 0.000 0.944 145 Q CB -0.204 28.532 28.738 -0.003 0.000 1.100 145 Q HN 0.491 nan 8.270 nan 0.000 0.509 146 D N 2.168 122.567 120.400 -0.000 0.000 2.703 146 D HA -0.120 4.520 4.640 0.001 0.000 0.225 146 D C 0.518 176.819 176.300 0.000 0.000 1.119 146 D CA 0.703 54.703 54.000 0.000 0.000 0.845 146 D CB 0.861 41.661 40.800 0.001 0.000 1.182 146 D HN 0.110 nan 8.370 nan 0.000 0.493 147 K N 2.348 122.748 120.400 0.000 0.000 2.361 147 K HA -0.064 4.256 4.320 0.001 0.000 0.196 147 K C 1.432 178.033 176.600 0.001 0.000 1.039 147 K CA 0.268 56.555 56.287 0.000 0.000 1.001 147 K CB 0.193 32.693 32.500 -0.000 0.000 0.795 147 K HN 0.501 nan 8.250 nan 0.000 0.495 148 E N 0.959 121.160 120.200 0.002 0.000 2.107 148 E HA -0.161 4.189 4.350 0.001 0.000 0.191 148 E C 1.763 178.366 176.600 0.003 0.000 0.982 148 E CA 1.165 57.566 56.400 0.002 0.000 0.809 148 E CB -0.076 29.625 29.700 0.002 0.000 0.756 148 E HN 0.379 nan 8.360 nan 0.000 0.459 149 I N -1.102 119.470 120.570 0.003 0.000 2.493 149 I HA -0.102 4.069 4.170 0.001 0.000 0.254 149 I C 1.669 177.788 176.117 0.004 0.000 1.160 149 I CA 0.907 62.210 61.300 0.004 0.000 1.445 149 I CB -0.258 37.745 38.000 0.004 0.000 1.086 149 I HN 0.050 nan 8.210 nan 0.000 0.433 150 L N 1.281 122.506 121.223 0.003 0.000 2.610 150 L HA 0.059 4.400 4.340 0.001 0.000 0.232 150 L C 2.227 179.098 176.870 0.003 0.000 1.149 150 L CA 1.742 56.583 54.840 0.002 0.000 0.872 150 L CB -1.184 40.875 42.059 0.001 0.000 0.992 150 L HN 0.659 nan 8.230 nan 0.000 0.447 151 T N -6.233 108.324 114.554 0.004 0.000 3.014 151 T HA 0.028 4.379 4.350 0.001 0.000 0.250 151 T C 1.870 176.575 174.700 0.007 0.000 1.060 151 T CA 0.060 62.163 62.100 0.005 0.000 1.040 151 T CB 0.195 69.066 68.868 0.004 0.000 0.971 151 T HN 0.102 nan 8.240 nan 0.000 0.497 152 K N 0.977 121.381 120.400 0.008 0.000 2.005 152 K HA 0.195 4.516 4.320 0.001 0.000 0.206 152 K C 2.208 178.814 176.600 0.010 0.000 1.044 152 K CA 1.190 57.483 56.287 0.010 0.000 0.942 152 K CB -0.199 32.307 32.500 0.010 0.000 0.727 152 K HN 0.250 nan 8.250 nan 0.000 0.439 153 I N 1.384 121.959 120.570 0.008 0.000 2.194 153 I HA -0.300 3.871 4.170 0.001 0.000 0.246 153 I C 2.514 178.635 176.117 0.006 0.000 1.093 153 I CA 1.401 62.705 61.300 0.007 0.000 1.355 153 I CB -0.956 37.047 38.000 0.004 0.000 1.046 153 I HN 0.183 nan 8.210 nan 0.000 0.413 154 A N 1.965 124.789 122.820 0.006 0.000 1.845 154 A HA -0.260 4.060 4.320 0.001 0.000 0.215 154 A C 2.453 180.042 177.584 0.008 0.000 1.195 154 A CA 1.958 53.998 52.037 0.006 0.000 0.616 154 A CB -0.847 18.155 19.000 0.005 0.000 0.832 154 A HN 0.531 nan 8.150 nan 0.000 0.443 155 M N -0.422 119.184 119.600 0.010 0.000 3.948 155 M HA -0.337 4.144 4.480 0.001 0.000 0.286 155 M C 1.689 177.999 176.300 0.017 0.000 0.972 155 M CA 3.362 58.670 55.300 0.015 0.000 1.017 155 M CB -1.745 30.865 32.600 0.017 0.000 1.295 155 M HN 0.302 nan 8.290 nan 0.000 0.629 156 T N 0.057 114.621 114.554 0.016 0.000 2.918 156 T HA -0.111 4.239 4.350 0.001 0.000 0.271 156 T C 1.858 176.564 174.700 0.010 0.000 1.104 156 T CA 1.702 63.811 62.100 0.015 0.000 1.114 156 T CB -0.334 68.542 68.868 0.014 0.000 0.855 156 T HN 0.637 nan 8.240 nan 0.000 0.518 157 S N 0.250 115.955 115.700 0.008 0.000 2.486 157 S HA 0.228 4.698 4.470 0.001 0.000 0.220 157 S C 1.051 175.654 174.600 0.006 0.000 1.011 157 S CA -0.155 58.048 58.200 0.005 0.000 0.921 157 S CB 0.044 63.246 63.200 0.003 0.000 0.785 157 S HN 0.526 nan 8.310 nan 0.000 0.517 158 I N 3.107 123.682 120.570 0.009 0.000 2.781 158 I HA 0.259 4.429 4.170 0.001 0.000 0.303 158 I C -0.084 176.043 176.117 0.017 0.000 1.161 158 I CA -0.255 61.051 61.300 0.011 0.000 1.341 158 I CB -0.812 37.194 38.000 0.011 0.000 1.585 158 I HN 0.100 nan 8.210 nan 0.000 0.567 159 T N -1.341 113.224 114.554 0.018 0.000 2.848 159 T HA 0.627 4.977 4.350 0.001 0.000 0.285 159 T C 0.511 175.222 174.700 0.018 0.000 0.995 159 T CA -0.134 61.982 62.100 0.026 0.000 0.970 159 T CB 1.837 70.722 68.868 0.028 0.000 0.976 159 T HN 0.734 nan 8.240 nan 0.000 0.441 160 G N 2.432 111.249 108.800 0.028 0.000 2.422 160 G HA2 -0.111 3.850 3.960 0.001 0.000 0.290 160 G HA3 -0.111 3.850 3.960 0.001 0.000 0.290 160 G C -0.372 174.532 174.900 0.007 0.000 1.059 160 G CA 0.134 45.246 45.100 0.020 0.000 1.242 160 G HN 0.950 nan 8.290 nan 0.000 0.520 161 K N -1.351 119.056 120.400 0.011 0.000 2.660 161 K HA 0.458 4.778 4.320 0.001 0.000 0.285 161 K C 0.982 177.585 176.600 0.004 0.000 0.997 161 K CA -0.522 55.764 56.287 -0.002 0.000 0.861 161 K CB 0.904 33.402 32.500 -0.004 0.000 1.469 161 K HN 0.542 nan 8.250 nan 0.000 0.395 162 G N 0.304 109.101 108.800 -0.005 0.000 3.135 162 G HA2 0.238 4.199 3.960 0.001 0.000 0.208 162 G HA3 0.238 4.199 3.960 0.001 0.000 0.208 162 G C 0.385 175.293 174.900 0.012 0.000 1.212 162 G CA 0.826 45.928 45.100 0.003 0.000 0.928 162 G HN 0.526 nan 8.290 nan 0.000 0.500 163 A N 0.038 122.866 122.820 0.013 0.000 2.861 163 A HA 0.321 4.642 4.320 0.001 0.000 0.195 163 A C 0.879 178.472 177.584 0.014 0.000 1.370 163 A CA 0.443 52.488 52.037 0.014 0.000 1.377 163 A CB -0.559 18.449 19.000 0.014 0.000 1.144 163 A HN 0.373 nan 8.150 nan 0.000 0.628 164 E N 0.437 120.648 120.200 0.019 0.000 2.472 164 E HA -0.143 4.207 4.350 0.001 0.000 0.200 164 E C 1.365 177.976 176.600 0.018 0.000 1.046 164 E CA 1.126 57.540 56.400 0.024 0.000 0.871 164 E CB 0.017 29.741 29.700 0.041 0.000 0.806 164 E HN 0.257 nan 8.360 nan 0.000 0.533 165 K N 1.218 121.625 120.400 0.011 0.000 1.985 165 K HA -0.013 4.307 4.320 0.001 0.000 0.210 165 K C 1.822 178.423 176.600 0.002 0.000 1.047 165 K CA 1.597 57.885 56.287 0.003 0.000 0.932 165 K CB -0.839 31.663 32.500 0.002 0.000 0.716 165 K HN 0.249 nan 8.250 nan 0.000 0.439 166 A N 1.815 124.638 122.820 0.006 0.000 2.310 166 A HA -0.031 4.289 4.320 0.001 0.000 0.230 166 A C 1.471 179.060 177.584 0.007 0.000 1.294 166 A CA 0.353 52.394 52.037 0.006 0.000 0.898 166 A CB -0.648 18.358 19.000 0.009 0.000 0.917 166 A HN 0.425 nan 8.150 nan 0.000 0.491 167 K N 0.479 120.884 120.400 0.008 0.000 2.103 167 K HA -0.218 4.102 4.320 0.001 0.000 0.207 167 K C 1.689 178.294 176.600 0.008 0.000 1.048 167 K CA 1.521 57.815 56.287 0.010 0.000 0.930 167 K CB -0.237 32.271 32.500 0.014 0.000 0.716 167 K HN 0.603 nan 8.250 nan 0.000 0.444 168 E N 1.601 121.804 120.200 0.006 0.000 2.107 168 E HA -0.197 4.153 4.350 0.001 0.000 0.191 168 E C 1.804 178.407 176.600 0.004 0.000 0.982 168 E CA 1.082 57.485 56.400 0.004 0.000 0.809 168 E CB 0.130 29.831 29.700 0.002 0.000 0.756 168 E HN 0.212 nan 8.360 nan 0.000 0.459 169 K N 0.391 120.794 120.400 0.005 0.000 2.314 169 K HA 0.138 4.459 4.320 0.001 0.000 0.198 169 K C 2.072 178.677 176.600 0.007 0.000 1.045 169 K CA 0.276 56.566 56.287 0.006 0.000 0.988 169 K CB 0.064 32.567 32.500 0.006 0.000 0.783 169 K HN 0.152 nan 8.250 nan 0.000 0.484 170 L N -0.298 120.929 121.223 0.007 0.000 2.291 170 L HA 0.036 4.377 4.340 0.001 0.000 0.214 170 L C 2.040 178.913 176.870 0.006 0.000 1.120 170 L CA 0.992 55.837 54.840 0.007 0.000 0.799 170 L CB -0.366 41.697 42.059 0.008 0.000 0.925 170 L HN 0.169 nan 8.230 nan 0.000 0.446 171 A N -0.574 122.250 122.820 0.006 0.000 2.123 171 A HA -0.106 4.215 4.320 0.001 0.000 0.214 171 A C 2.110 179.696 177.584 0.004 0.000 1.152 171 A CA 0.825 52.864 52.037 0.005 0.000 0.728 171 A CB -0.017 18.987 19.000 0.006 0.000 0.814 171 A HN 0.330 nan 8.150 nan 0.000 0.464 172 E N 0.325 120.527 120.200 0.004 0.000 2.057 172 E HA -0.028 4.322 4.350 0.001 0.000 0.190 172 E C 1.963 178.565 176.600 0.003 0.000 0.969 172 E CA 0.976 57.378 56.400 0.003 0.000 0.812 172 E CB -0.236 29.466 29.700 0.004 0.000 0.777 172 E HN 0.654 nan 8.360 nan 0.000 0.455 173 I N 0.773 121.345 120.570 0.004 0.000 2.361 173 I HA -0.193 3.978 4.170 0.001 0.000 0.251 173 I C 2.423 178.540 176.117 0.001 0.000 1.133 173 I CA 1.279 62.581 61.300 0.004 0.000 1.413 173 I CB -0.955 37.050 38.000 0.007 0.000 1.073 173 I HN 0.200 nan 8.210 nan 0.000 0.424 174 I N 0.659 121.229 120.570 0.000 0.000 2.163 174 I HA -0.151 4.020 4.170 0.001 0.000 0.240 174 I C 2.363 178.478 176.117 -0.003 0.000 1.081 174 I CA 1.627 62.926 61.300 -0.002 0.000 1.353 174 I CB -0.800 37.199 38.000 -0.001 0.000 1.054 174 I HN 0.054 nan 8.210 nan 0.000 0.407 175 V N 1.577 121.489 119.914 -0.002 0.000 2.970 175 V HA -0.123 3.998 4.120 0.001 0.000 0.260 175 V C 2.501 178.592 176.094 -0.005 0.000 1.100 175 V CA 1.555 63.853 62.300 -0.003 0.000 1.122 175 V CB -0.771 31.051 31.823 -0.001 0.000 0.721 175 V HN 0.452 nan 8.190 nan 0.000 0.483 176 E N 0.532 120.729 120.200 -0.005 0.000 2.107 176 E HA -0.104 4.247 4.350 0.001 0.000 0.191 176 E C 2.290 178.883 176.600 -0.011 0.000 0.982 176 E CA 1.189 57.585 56.400 -0.007 0.000 0.809 176 E CB -0.172 29.526 29.700 -0.004 0.000 0.756 176 E HN 0.591 nan 8.360 nan 0.000 0.459 177 A N 0.899 123.713 122.820 -0.010 0.000 2.067 177 A HA -0.052 4.269 4.320 0.001 0.000 0.217 177 A C 2.298 179.871 177.584 -0.017 0.000 1.156 177 A CA 0.663 52.692 52.037 -0.014 0.000 0.683 177 A CB -0.053 18.940 19.000 -0.012 0.000 0.808 177 A HN 0.108 nan 8.150 nan 0.000 0.455 178 V N -1.531 118.375 119.914 -0.014 0.000 2.992 178 V HA -0.022 4.098 4.120 0.001 0.000 0.250 178 V C 2.128 178.212 176.094 -0.016 0.000 1.090 178 V CA 1.637 63.929 62.300 -0.015 0.000 1.101 178 V CB -0.326 31.491 31.823 -0.011 0.000 0.743 178 V HN 0.396 nan 8.190 nan 0.000 0.468 179 S N 0.336 116.027 115.700 -0.015 0.000 2.603 179 S HA 0.247 4.718 4.470 0.001 0.000 0.220 179 S C 2.043 176.629 174.600 -0.023 0.000 0.967 179 S CA 0.796 58.987 58.200 -0.016 0.000 0.920 179 S CB 0.059 63.252 63.200 -0.012 0.000 0.773 179 S HN 0.621 nan 8.310 nan 0.000 0.529 180 A N 1.593 124.396 122.820 -0.029 0.000 1.874 180 A HA 0.007 4.327 4.320 0.001 0.000 0.214 180 A C 2.324 179.872 177.584 -0.059 0.000 1.189 180 A CA 1.398 53.408 52.037 -0.044 0.000 0.615 180 A CB -1.099 17.873 19.000 -0.045 0.000 0.830 180 A HN 0.443 nan 8.150 nan 0.000 0.443 181 V N -1.097 118.790 119.914 -0.046 0.000 2.223 181 V HA -0.160 3.961 4.120 0.001 0.000 0.246 181 V C 1.671 177.742 176.094 -0.039 0.000 1.045 181 V CA 1.566 63.841 62.300 -0.042 0.000 1.004 181 V CB -1.723 30.082 31.823 -0.029 0.000 0.641 181 V HN 0.503 nan 8.190 nan 0.000 0.457 182 V N 4.944 124.843 119.914 -0.026 0.000 2.434 182 V HA 0.129 4.249 4.120 0.001 0.000 0.281 182 V C 0.012 176.099 176.094 -0.013 0.000 1.005 182 V CA 0.263 62.553 62.300 -0.016 0.000 1.089 182 V CB -0.931 30.886 31.823 -0.011 0.000 0.978 182 V HN 0.891 nan 8.190 nan 0.000 0.474 183 D N 4.596 124.993 120.400 -0.005 0.000 2.175 183 D HA 0.242 4.882 4.640 0.001 0.000 0.248 183 D C 0.088 176.390 176.300 0.004 0.000 1.047 183 D CA -0.154 53.848 54.000 0.003 0.000 0.883 183 D CB 1.612 42.420 40.800 0.015 0.000 1.180 183 D HN 0.715 nan 8.370 nan 0.000 0.438 184 D N 1.094 121.497 120.400 0.005 0.000 2.798 184 D HA -0.198 4.443 4.640 0.001 0.000 0.237 184 D C -0.495 175.807 176.300 0.002 0.000 1.092 184 D CA 0.572 54.575 54.000 0.005 0.000 0.727 184 D CB -1.262 39.541 40.800 0.007 0.000 1.087 184 D HN 0.642 nan 8.370 nan 0.000 0.437 185 E N -0.029 120.171 120.200 0.001 0.000 1.171 185 E HA -0.062 4.289 4.350 0.001 0.000 0.344 185 E C 0.943 177.543 176.600 -0.000 0.000 0.544 185 E CA 1.620 58.020 56.400 -0.000 0.000 1.283 185 E CB -0.927 28.772 29.700 -0.001 0.000 0.485 185 E HN 0.980 nan 8.360 nan 0.000 0.366 186 G N 3.250 112.050 108.800 -0.001 0.000 2.245 186 G HA2 -0.196 3.765 3.960 0.001 0.000 0.130 186 G HA3 -0.196 3.765 3.960 0.001 0.000 0.130 186 G C -0.316 174.583 174.900 -0.001 0.000 1.040 186 G CA -0.034 45.065 45.100 -0.001 0.000 0.713 186 G HN 0.416 nan 8.290 nan 0.000 0.488 187 K N 0.022 120.422 120.400 -0.001 0.000 2.541 187 K HA 0.683 5.003 4.320 0.001 0.000 0.250 187 K C 0.152 176.751 176.600 -0.002 0.000 0.950 187 K CA -0.486 55.801 56.287 -0.001 0.000 0.805 187 K CB 2.141 34.641 32.500 0.001 0.000 1.166 187 K HN 0.574 nan 8.250 nan 0.000 0.430 188 V N -0.169 119.743 119.914 -0.003 0.000 3.374 188 V HA 0.206 4.327 4.120 0.001 0.000 0.486 188 V C -0.868 175.223 176.094 -0.005 0.000 1.595 188 V CA -0.956 61.341 62.300 -0.004 0.000 1.863 188 V CB 0.188 32.007 31.823 -0.006 0.000 1.242 188 V HN 0.641 nan 8.190 nan 0.000 0.631 189 D N 2.000 122.396 120.400 -0.006 0.000 2.389 189 D HA 0.315 4.955 4.640 0.001 0.000 0.247 189 D C 1.023 177.318 176.300 -0.008 0.000 1.128 189 D CA 0.032 54.028 54.000 -0.006 0.000 0.884 189 D CB 1.550 42.347 40.800 -0.005 0.000 1.194 189 D HN 0.179 nan 8.370 nan 0.000 0.441 190 K N 1.814 122.210 120.400 -0.008 0.000 2.157 190 K HA -0.048 4.272 4.320 0.001 0.000 0.207 190 K C 1.189 177.782 176.600 -0.011 0.000 1.030 190 K CA 0.484 56.766 56.287 -0.008 0.000 0.965 190 K CB -0.173 32.324 32.500 -0.006 0.000 0.877 190 K HN 0.430 nan 8.250 nan 0.000 0.460 191 D N 2.516 122.909 120.400 -0.011 0.000 2.378 191 D HA -0.084 4.557 4.640 0.001 0.000 0.227 191 D C 1.835 178.126 176.300 -0.016 0.000 1.012 191 D CA 0.118 54.110 54.000 -0.013 0.000 0.905 191 D CB 0.107 40.901 40.800 -0.010 0.000 0.895 191 D HN 0.075 nan 8.370 nan 0.000 0.532 192 L N 0.127 121.341 121.223 -0.016 0.000 1.997 192 L HA -0.122 4.219 4.340 0.001 0.000 0.216 192 L C 0.768 177.624 176.870 -0.024 0.000 1.074 192 L CA 1.606 56.434 54.840 -0.020 0.000 0.763 192 L CB -1.740 40.306 42.059 -0.021 0.000 0.890 192 L HN 0.137 nan 8.230 nan 0.000 0.434 193 I N 1.725 122.282 120.570 -0.022 0.000 2.313 193 I HA 0.258 4.428 4.170 0.001 0.000 0.286 193 I C 0.593 176.696 176.117 -0.024 0.000 1.091 193 I CA -0.357 60.929 61.300 -0.022 0.000 1.216 193 I CB 0.547 38.536 38.000 -0.018 0.000 1.434 193 I HN 0.218 nan 8.210 nan 0.000 0.487 194 K N 7.008 127.389 120.400 -0.032 0.000 2.219 194 K HA 0.355 4.676 4.320 0.001 0.000 0.258 194 K C -0.007 176.573 176.600 -0.033 0.000 1.008 194 K CA -0.275 55.990 56.287 -0.036 0.000 0.928 194 K CB 0.976 33.445 32.500 -0.052 0.000 0.983 194 K HN 0.708 nan 8.250 nan 0.000 0.484 195 I N 0.987 121.538 120.570 -0.031 0.000 2.782 195 I HA 0.321 4.491 4.170 0.001 0.000 0.279 195 I C -0.864 175.237 176.117 -0.027 0.000 1.247 195 I CA -0.896 60.390 61.300 -0.023 0.000 1.062 195 I CB 1.063 39.055 38.000 -0.013 0.000 1.421 195 I HN 0.425 nan 8.210 nan 0.000 0.558 196 E N 4.411 124.588 120.200 -0.038 0.000 2.266 196 E HA 0.461 4.812 4.350 0.001 0.000 0.277 196 E C -0.980 175.604 176.600 -0.027 0.000 1.018 196 E CA -0.322 56.049 56.400 -0.049 0.000 0.840 196 E CB 1.372 31.016 29.700 -0.093 0.000 1.082 196 E HN 0.531 nan 8.360 nan 0.000 0.395 197 K N 3.089 123.476 120.400 -0.021 0.000 2.182 197 K HA 0.652 4.972 4.320 0.001 0.000 0.262 197 K C -0.707 175.891 176.600 -0.004 0.000 0.957 197 K CA -0.990 55.294 56.287 -0.005 0.000 0.842 197 K CB 1.457 33.955 32.500 -0.003 0.000 1.099 197 K HN 0.086 nan 8.250 nan 0.000 0.438 198 K N 0.824 121.230 120.400 0.010 0.000 2.557 198 K HA 0.317 4.637 4.320 0.001 0.000 0.261 198 K C -1.181 175.433 176.600 0.024 0.000 0.932 198 K CA -0.540 55.758 56.287 0.019 0.000 0.829 198 K CB 2.143 34.664 32.500 0.034 0.000 1.358 198 K HN 0.732 nan 8.250 nan 0.000 0.430 199 S N 0.323 116.035 115.700 0.019 0.000 2.568 199 S HA 0.543 5.013 4.470 0.001 0.000 0.282 199 S C 0.361 174.974 174.600 0.022 0.000 1.338 199 S CA 0.350 58.560 58.200 0.016 0.000 1.045 199 S CB 0.508 63.713 63.200 0.009 0.000 0.873 199 S HN 0.872 nan 8.310 nan 0.000 0.516 200 G N 0.488 109.299 108.800 0.019 0.000 3.436 200 G HA2 0.468 4.429 3.960 0.001 0.000 0.685 200 G HA3 0.468 4.429 3.960 0.001 0.000 0.685 200 G C -0.229 174.684 174.900 0.021 0.000 1.039 200 G CA -0.450 44.662 45.100 0.019 0.000 0.879 200 G HN 1.646 nan 8.290 nan 0.000 0.478 201 A N 0.626 123.457 122.820 0.017 0.000 4.731 201 A HA 0.989 5.310 4.320 0.001 0.000 0.142 201 A C 0.316 177.907 177.584 0.013 0.000 1.163 201 A CA 1.131 53.178 52.037 0.017 0.000 1.193 201 A CB -0.437 18.573 19.000 0.017 0.000 1.702 201 A HN 2.500 nan 8.150 nan 0.000 0.820 202 S N -2.262 113.446 115.700 0.014 0.000 4.294 202 S HA 0.586 5.057 4.470 0.001 0.000 0.254 202 S C 0.180 174.788 174.600 0.013 0.000 1.087 202 S CA 0.307 58.514 58.200 0.012 0.000 1.452 202 S CB -0.088 63.117 63.200 0.008 0.000 1.502 202 S HN 1.168 nan 8.310 nan 0.000 0.698 203 I N 0.875 121.452 120.570 0.011 0.000 3.645 203 I HA 0.324 4.494 4.170 0.001 0.000 0.300 203 I C 0.068 176.191 176.117 0.010 0.000 1.260 203 I CA 0.521 61.827 61.300 0.010 0.000 1.365 203 I CB -0.545 37.459 38.000 0.007 0.000 1.077 203 I HN 0.282 nan 8.210 nan 0.000 0.439 204 D N 0.143 120.548 120.400 0.009 0.000 2.479 204 D HA 0.011 4.651 4.640 0.001 0.000 0.221 204 D C 1.072 177.379 176.300 0.011 0.000 1.104 204 D CA 0.333 54.338 54.000 0.008 0.000 0.849 204 D CB 0.361 41.164 40.800 0.005 0.000 1.072 204 D HN 0.071 nan 8.370 nan 0.000 0.502 205 D N 0.127 120.535 120.400 0.014 0.000 2.407 205 D HA 0.017 4.658 4.640 0.001 0.000 0.208 205 D C 0.004 176.318 176.300 0.023 0.000 1.083 205 D CA 0.341 54.351 54.000 0.016 0.000 0.844 205 D CB 0.415 41.225 40.800 0.017 0.000 0.967 205 D HN 0.086 nan 8.370 nan 0.000 0.506 206 T N -0.148 114.420 114.554 0.023 0.000 2.834 206 T HA 0.282 4.633 4.350 0.001 0.000 0.298 206 T C 0.184 174.900 174.700 0.027 0.000 0.966 206 T CA -0.539 61.578 62.100 0.028 0.000 1.141 206 T CB 1.023 69.904 68.868 0.022 0.000 0.905 206 T HN 0.136 nan 8.240 nan 0.000 0.535 207 E N 2.410 122.630 120.200 0.035 0.000 2.281 207 E HA 0.594 4.945 4.350 0.001 0.000 0.262 207 E C -1.333 175.287 176.600 0.033 0.000 0.933 207 E CA -1.372 55.050 56.400 0.035 0.000 0.809 207 E CB 1.368 31.097 29.700 0.049 0.000 1.242 207 E HN 0.427 nan 8.360 nan 0.000 0.418 208 L N 2.508 123.748 121.223 0.028 0.000 2.301 208 L HA 0.335 4.676 4.340 0.001 0.000 0.278 208 L C -0.504 176.385 176.870 0.033 0.000 1.022 208 L CA -0.680 54.174 54.840 0.023 0.000 0.854 208 L CB 0.774 42.840 42.059 0.012 0.000 1.226 208 L HN 0.528 nan 8.230 nan 0.000 0.429 209 I N 2.082 122.679 120.570 0.045 0.000 2.337 209 I HA 0.256 4.427 4.170 0.001 0.000 0.291 209 I C 0.495 176.630 176.117 0.030 0.000 1.046 209 I CA -0.625 60.711 61.300 0.060 0.000 1.324 209 I CB 0.498 38.561 38.000 0.105 0.000 1.409 209 I HN 0.572 nan 8.210 nan 0.000 0.494 210 K N 5.776 126.189 120.400 0.021 0.000 2.979 210 K HA 0.231 4.551 4.320 0.001 0.000 0.250 210 K C 0.353 176.953 176.600 -0.000 0.000 1.038 210 K CA -0.018 56.272 56.287 0.004 0.000 1.121 210 K CB -0.977 31.517 32.500 -0.009 0.000 1.173 210 K HN 0.936 nan 8.250 nan 0.000 0.271 211 G N -0.420 108.378 108.800 -0.004 0.000 2.788 211 G HA2 0.539 4.499 3.960 0.001 0.000 0.293 211 G HA3 0.539 4.499 3.960 0.001 0.000 0.293 211 G C -1.560 173.319 174.900 -0.034 0.000 1.392 211 G CA -0.597 44.502 45.100 -0.002 0.000 0.810 211 G HN 0.073 nan 8.290 nan 0.000 0.508 212 V N 0.324 120.205 119.914 -0.054 0.000 2.668 212 V HA 0.478 4.599 4.120 0.001 0.000 0.304 212 V C -0.855 175.151 176.094 -0.147 0.000 1.071 212 V CA -0.571 61.666 62.300 -0.104 0.000 0.894 212 V CB 1.775 33.518 31.823 -0.133 0.000 1.008 212 V HN 0.660 nan 8.190 nan 0.000 0.425 213 L N 6.902 128.011 121.223 -0.190 0.000 2.277 213 L HA 0.661 5.001 4.340 0.001 0.000 0.284 213 L C -0.140 176.582 176.870 -0.245 0.000 1.028 213 L CA -0.448 54.205 54.840 -0.313 0.000 0.835 213 L CB 1.372 43.160 42.059 -0.452 0.000 1.215 213 L HN 0.655 nan 8.230 nan 0.000 0.425 214 V N 0.886 120.682 119.914 -0.197 0.000 3.234 214 V HA 0.475 4.595 4.120 0.001 0.000 0.317 214 V C -0.058 175.984 176.094 -0.087 0.000 1.081 214 V CA -0.704 61.521 62.300 -0.125 0.000 1.037 214 V CB 1.792 33.555 31.823 -0.100 0.000 1.148 214 V HN 0.574 nan 8.190 nan 0.000 0.453 215 D N 1.403 121.776 120.400 -0.044 0.000 3.163 215 D HA 0.350 4.991 4.640 0.001 0.000 0.284 215 D C -0.348 175.963 176.300 0.018 0.000 1.368 215 D CA -0.011 53.977 54.000 -0.019 0.000 0.895 215 D CB 0.114 40.899 40.800 -0.025 0.000 1.061 215 D HN 0.456 nan 8.370 nan 0.000 0.496 216 K N 0.414 120.844 120.400 0.049 0.000 2.435 216 K HA 0.387 4.708 4.320 0.001 0.000 0.251 216 K C 0.396 177.045 176.600 0.082 0.000 0.954 216 K CA -0.600 55.730 56.287 0.070 0.000 0.820 216 K CB 2.519 35.066 32.500 0.079 0.000 1.292 216 K HN 0.076 nan 8.250 nan 0.000 0.436 217 E N 1.287 121.521 120.200 0.057 0.000 2.602 217 E HA 0.280 4.630 4.350 0.001 0.000 0.255 217 E C -0.221 176.397 176.600 0.030 0.000 1.268 217 E CA -0.792 55.636 56.400 0.048 0.000 1.007 217 E CB 0.816 30.538 29.700 0.036 0.000 1.208 217 E HN 0.103 nan 8.360 nan 0.000 0.584 218 R N 1.464 121.977 120.500 0.021 0.000 2.429 218 R HA 0.070 4.410 4.340 0.001 0.000 0.302 218 R C 0.928 177.227 176.300 -0.002 0.000 1.268 218 R CA -0.110 55.988 56.100 -0.003 0.000 1.090 218 R CB -0.010 30.288 30.300 -0.003 0.000 1.102 218 R HN 0.385 nan 8.270 nan 0.000 0.522 219 V N 2.141 122.052 119.914 -0.006 0.000 2.411 219 V HA -0.398 3.722 4.120 0.001 0.000 0.225 219 V C 1.067 177.161 176.094 -0.000 0.000 0.970 219 V CA 2.227 64.525 62.300 -0.004 0.000 1.103 219 V CB -0.305 31.512 31.823 -0.009 0.000 0.871 219 V HN 0.760 nan 8.190 nan 0.000 0.510 220 S N -0.949 114.749 115.700 -0.004 0.000 2.523 220 S HA 0.500 4.970 4.470 0.001 0.000 0.275 220 S C 0.955 175.555 174.600 0.001 0.000 1.281 220 S CA 0.090 58.292 58.200 0.003 0.000 1.050 220 S CB 1.357 64.560 63.200 0.006 0.000 0.937 220 S HN 0.822 nan 8.310 nan 0.000 0.492 221 A N 5.092 127.916 122.820 0.008 0.000 1.892 221 A HA -0.180 4.140 4.320 0.001 0.000 0.218 221 A C 2.190 179.777 177.584 0.005 0.000 1.188 221 A CA 1.575 53.617 52.037 0.008 0.000 0.631 221 A CB -0.672 18.335 19.000 0.013 0.000 0.822 221 A HN 0.885 nan 8.150 nan 0.000 0.447 222 Q N -0.383 119.421 119.800 0.006 0.000 2.002 222 Q HA -0.149 4.191 4.340 0.001 0.000 0.204 222 Q C 0.769 176.759 176.000 -0.018 0.000 0.988 222 Q CA 0.894 56.693 55.803 -0.006 0.000 0.843 222 Q CB -0.686 28.041 28.738 -0.018 0.000 0.908 222 Q HN 0.773 nan 8.270 nan 0.000 0.420 223 M N 3.126 122.712 119.600 -0.024 0.000 2.376 223 M HA -0.121 4.359 4.480 0.001 0.000 0.496 223 M C -2.112 174.176 176.300 -0.020 0.000 1.526 223 M CA -0.310 54.974 55.300 -0.027 0.000 0.829 223 M CB -0.808 31.772 32.600 -0.034 0.000 1.999 223 M HN -0.100 nan 8.290 nan 0.000 0.529 224 P HA -0.097 nan 4.420 nan 0.000 0.255 224 P C -0.272 177.023 177.300 -0.009 0.000 1.161 224 P CA 0.396 63.487 63.100 -0.014 0.000 0.768 224 P CB 0.334 32.026 31.700 -0.012 0.000 0.746 225 K N 4.479 124.877 120.400 -0.004 0.000 2.686 225 K HA 0.130 4.451 4.320 0.001 0.000 0.244 225 K C 0.014 176.617 176.600 0.005 0.000 1.262 225 K CA 0.301 56.590 56.287 0.003 0.000 1.199 225 K CB -0.934 31.569 32.500 0.004 0.000 1.428 225 K HN 0.336 nan 8.250 nan 0.000 0.247 226 K N -0.368 120.037 120.400 0.007 0.000 1.593 226 K HA -0.010 4.311 4.320 0.001 0.000 0.985 226 K C -1.709 174.896 176.600 0.008 0.000 0.751 226 K CA -0.107 56.185 56.287 0.009 0.000 0.844 226 K CB -0.204 32.298 32.500 0.002 0.000 3.197 226 K HN -0.021 nan 8.250 nan 0.000 0.188 227 V N 3.079 123.002 119.914 0.015 0.000 2.555 227 V HA 0.400 4.520 4.120 0.001 0.000 0.302 227 V C 1.217 177.323 176.094 0.020 0.000 1.038 227 V CA -0.394 61.914 62.300 0.013 0.000 0.887 227 V CB 1.826 33.655 31.823 0.010 0.000 0.991 227 V HN 0.926 nan 8.190 nan 0.000 0.434 228 T N 1.732 116.295 114.554 0.015 0.000 5.825 228 T HA -0.032 4.319 4.350 0.001 0.000 0.383 228 T C 0.165 174.878 174.700 0.022 0.000 0.920 228 T CA 0.008 62.117 62.100 0.016 0.000 0.947 228 T CB -0.245 68.629 68.868 0.010 0.000 1.292 228 T HN 0.633 nan 8.240 nan 0.000 0.356 229 D N 2.300 122.712 120.400 0.019 0.000 2.483 229 D HA 0.463 5.104 4.640 0.001 0.000 0.261 229 D C -0.137 176.177 176.300 0.023 0.000 1.318 229 D CA 0.249 54.262 54.000 0.022 0.000 1.201 229 D CB -0.689 40.123 40.800 0.020 0.000 1.127 229 D HN 0.768 nan 8.370 nan 0.000 0.519 230 A N 2.438 125.278 122.820 0.032 0.000 2.304 230 A HA 0.512 4.833 4.320 0.001 0.000 0.301 230 A C 0.238 177.848 177.584 0.043 0.000 1.132 230 A CA -0.784 51.275 52.037 0.036 0.000 0.819 230 A CB 0.764 19.793 19.000 0.049 0.000 1.094 230 A HN 0.217 nan 8.150 nan 0.000 0.492 231 K N 2.101 122.523 120.400 0.037 0.000 2.419 231 K HA 0.420 4.741 4.320 0.001 0.000 0.244 231 K C -1.005 175.626 176.600 0.053 0.000 1.045 231 K CA -0.106 56.205 56.287 0.040 0.000 1.004 231 K CB 0.348 32.863 32.500 0.025 0.000 1.376 231 K HN 0.594 nan 8.250 nan 0.000 0.460 232 I N 1.993 122.614 120.570 0.085 0.000 2.752 232 I HA 0.079 4.249 4.170 0.001 0.000 0.287 232 I C 0.498 176.683 176.117 0.114 0.000 1.188 232 I CA 0.260 61.640 61.300 0.133 0.000 1.427 232 I CB 0.643 38.793 38.000 0.249 0.000 1.365 232 I HN 0.489 nan 8.210 nan 0.000 0.585 233 A N 7.488 130.382 122.820 0.123 0.000 2.319 233 A HA 0.816 5.137 4.320 0.001 0.000 0.310 233 A C -0.730 176.929 177.584 0.125 0.000 1.152 233 A CA -0.613 51.478 52.037 0.091 0.000 0.783 233 A CB 0.575 19.603 19.000 0.047 0.000 1.184 233 A HN 0.640 nan 8.150 nan 0.000 0.474 234 L N 2.973 124.256 121.223 0.099 0.000 2.325 234 L HA 0.610 4.951 4.340 0.001 0.000 0.278 234 L C -0.563 176.350 176.870 0.072 0.000 1.023 234 L CA -0.708 54.197 54.840 0.108 0.000 0.811 234 L CB 1.791 43.893 42.059 0.071 0.000 1.249 234 L HN 0.591 nan 8.230 nan 0.000 0.431 235 L N 4.461 125.728 121.223 0.073 0.000 2.490 235 L HA 0.197 4.538 4.340 0.001 0.000 0.261 235 L C -0.158 176.741 176.870 0.049 0.000 1.232 235 L CA -0.034 54.839 54.840 0.054 0.000 0.892 235 L CB 1.066 43.156 42.059 0.051 0.000 1.085 235 L HN 0.792 nan 8.230 nan 0.000 0.491 236 N N 1.178 119.901 118.700 0.037 0.000 2.336 236 N HA 0.003 4.743 4.740 0.001 0.000 0.189 236 N C -0.166 175.360 175.510 0.027 0.000 1.113 236 N CA 0.029 53.099 53.050 0.033 0.000 0.858 236 N CB 0.130 38.633 38.487 0.026 0.000 0.970 236 N HN 0.384 nan 8.380 nan 0.000 0.471 237 C N 1.589 120.905 119.300 0.025 0.000 2.316 237 C HA 0.792 5.252 4.460 0.001 0.000 0.324 237 C C 0.173 175.176 174.990 0.023 0.000 1.226 237 C CA -0.655 58.376 59.018 0.021 0.000 1.450 237 C CB -1.046 26.704 27.740 0.017 0.000 2.123 237 C HN 0.626 nan 8.230 nan 0.000 0.454 238 A N 5.553 128.386 122.820 0.022 0.000 1.834 238 A HA -0.190 4.130 4.320 0.001 0.000 0.339 238 A C 0.256 177.853 177.584 0.022 0.000 0.986 238 A CA 0.831 52.881 52.037 0.021 0.000 1.549 238 A CB -0.278 18.733 19.000 0.018 0.000 0.635 238 A HN 1.022 nan 8.150 nan 0.000 0.206 239 I N 2.159 122.744 120.570 0.024 0.000 2.781 239 I HA 0.165 4.336 4.170 0.001 0.000 0.303 239 I C 0.672 176.806 176.117 0.029 0.000 1.161 239 I CA 0.243 61.559 61.300 0.027 0.000 1.341 239 I CB -0.423 37.594 38.000 0.029 0.000 1.585 239 I HN 0.781 nan 8.210 nan 0.000 0.567 240 E N 2.911 123.127 120.200 0.025 0.000 2.141 240 E HA 0.421 4.771 4.350 0.001 0.000 0.259 240 E C -0.971 175.642 176.600 0.022 0.000 0.883 240 E CA -0.591 55.823 56.400 0.023 0.000 0.744 240 E CB 1.257 30.969 29.700 0.019 0.000 1.150 240 E HN 0.094 nan 8.360 nan 0.000 0.420 241 E N 2.361 122.577 120.200 0.026 0.000 2.410 241 E HA 0.345 4.696 4.350 0.001 0.000 0.269 241 E C -0.835 175.780 176.600 0.024 0.000 0.937 241 E CA -1.079 55.334 56.400 0.022 0.000 0.793 241 E CB 2.076 31.790 29.700 0.023 0.000 1.314 241 E HN 0.513 nan 8.360 nan 0.000 0.447 242 T N 1.099 115.666 114.554 0.021 0.000 2.761 242 T HA 0.377 4.727 4.350 0.001 0.000 0.296 242 T C 0.198 174.913 174.700 0.025 0.000 0.934 242 T CA -0.336 61.776 62.100 0.020 0.000 1.091 242 T CB 0.493 69.369 68.868 0.015 0.000 0.896 242 T HN 0.541 nan 8.240 nan 0.000 0.515 243 A N 3.883 126.719 122.820 0.027 0.000 2.602 243 A HA 0.338 4.658 4.320 0.001 0.000 0.256 243 A C 1.094 178.704 177.584 0.043 0.000 0.956 243 A CA 0.989 53.047 52.037 0.034 0.000 0.878 243 A CB -0.876 18.138 19.000 0.024 0.000 0.834 243 A HN 1.867 nan 8.150 nan 0.000 0.473 244 S N 0.767 116.507 115.700 0.067 0.000 4.178 244 S HA -0.157 4.313 4.470 0.001 0.000 0.635 244 S C 0.980 175.631 174.600 0.086 0.000 1.296 244 S CA 1.438 59.683 58.200 0.074 0.000 1.755 244 S CB -1.671 61.570 63.200 0.068 0.000 0.330 244 S HN 1.866 nan 8.310 nan 0.000 1.366 245 E N 0.915 121.147 120.200 0.053 0.000 2.242 245 E HA -0.366 3.984 4.350 0.001 0.000 0.247 245 E C 2.239 178.849 176.600 0.015 0.000 1.056 245 E CA 3.080 59.495 56.400 0.024 0.000 0.999 245 E CB -0.473 29.234 29.700 0.011 0.000 0.891 245 E HN 0.754 nan 8.360 nan 0.000 0.512 246 M N 0.261 119.872 119.600 0.017 0.000 2.146 246 M HA -0.215 4.265 4.480 0.001 0.000 0.256 246 M C 2.141 178.454 176.300 0.021 0.000 1.075 246 M CA 1.762 57.070 55.300 0.014 0.000 1.082 246 M CB -0.552 32.054 32.600 0.009 0.000 1.355 246 M HN 0.352 nan 8.290 nan 0.000 0.402 247 L N 0.799 122.047 121.223 0.041 0.000 2.217 247 L HA -0.009 4.332 4.340 0.001 0.000 0.211 247 L C 2.450 179.357 176.870 0.062 0.000 1.107 247 L CA 1.924 56.802 54.840 0.063 0.000 0.783 247 L CB -0.992 41.118 42.059 0.086 0.000 0.919 247 L HN 0.478 nan 8.230 nan 0.000 0.442 248 K N -1.259 119.151 120.400 0.017 0.000 2.186 248 K HA -0.100 4.221 4.320 0.001 0.000 0.202 248 K C 1.484 177.990 176.600 -0.156 0.000 1.052 248 K CA 1.087 57.284 56.287 -0.149 0.000 0.965 248 K CB 0.081 32.407 32.500 -0.290 0.000 0.746 248 K HN 0.127 nan 8.250 nan 0.000 0.457 249 D N 0.091 120.444 120.400 -0.079 0.000 2.323 249 D HA 0.033 4.673 4.640 0.001 0.000 0.209 249 D C 1.556 177.826 176.300 -0.049 0.000 0.973 249 D CA 0.633 54.591 54.000 -0.069 0.000 0.874 249 D CB 0.246 41.019 40.800 -0.045 0.000 0.930 249 D HN 0.267 nan 8.370 nan 0.000 0.521 250 M N -0.582 119.000 119.600 -0.030 0.000 2.200 250 M HA -0.089 4.391 4.480 0.001 0.000 0.265 250 M C 2.015 178.304 176.300 -0.018 0.000 1.066 250 M CA 0.836 56.128 55.300 -0.014 0.000 1.127 250 M CB 0.169 32.772 32.600 0.004 0.000 1.379 250 M HN -0.099 nan 8.290 nan 0.000 0.420 251 V N -0.046 119.851 119.914 -0.029 0.000 2.407 251 V HA -0.068 4.052 4.120 0.001 0.000 0.245 251 V C 2.631 178.689 176.094 -0.059 0.000 1.041 251 V CA 1.591 63.877 62.300 -0.023 0.000 1.040 251 V CB -1.518 30.316 31.823 0.019 0.000 0.671 251 V HN 0.465 nan 8.190 nan 0.000 0.455 252 A N -0.358 122.397 122.820 -0.108 0.000 2.024 252 A HA -0.241 4.080 4.320 0.001 0.000 0.220 252 A C 2.269 179.819 177.584 -0.057 0.000 1.164 252 A CA 1.794 53.775 52.037 -0.094 0.000 0.643 252 A CB -0.441 18.484 19.000 -0.126 0.000 0.806 252 A HN 0.492 nan 8.150 nan 0.000 0.451 253 E N 0.160 120.333 120.200 -0.044 0.000 2.106 253 E HA -0.142 4.209 4.350 0.001 0.000 0.192 253 E C 1.904 178.493 176.600 -0.019 0.000 0.984 253 E CA 1.188 57.571 56.400 -0.027 0.000 0.806 253 E CB -0.268 29.420 29.700 -0.021 0.000 0.750 253 E HN 0.747 nan 8.360 nan 0.000 0.458 254 I N 0.718 121.277 120.570 -0.018 0.000 2.163 254 I HA -0.294 3.876 4.170 0.001 0.000 0.243 254 I C 2.611 178.719 176.117 -0.014 0.000 1.085 254 I CA 1.439 62.732 61.300 -0.012 0.000 1.347 254 I CB -0.312 37.682 38.000 -0.009 0.000 1.044 254 I HN -0.020 nan 8.210 nan 0.000 0.408 255 K N 1.414 121.802 120.400 -0.021 0.000 2.044 255 K HA -0.006 4.315 4.320 0.001 0.000 0.204 255 K C 2.134 178.723 176.600 -0.019 0.000 1.049 255 K CA 1.241 57.515 56.287 -0.021 0.000 0.945 255 K CB -0.283 32.201 32.500 -0.027 0.000 0.724 255 K HN 0.209 nan 8.250 nan 0.000 0.440 256 A N 0.451 123.258 122.820 -0.022 0.000 1.827 256 A HA -0.403 3.917 4.320 0.001 0.000 0.262 256 A C 2.320 179.897 177.584 -0.011 0.000 2.408 256 A CA 2.979 55.006 52.037 -0.018 0.000 0.827 256 A CB -1.726 17.263 19.000 -0.019 0.000 0.840 256 A HN 0.481 nan 8.150 nan 0.000 0.513 257 S N -3.009 112.686 115.700 -0.009 0.000 2.317 257 S HA 0.342 4.813 4.470 0.001 0.000 0.212 257 S C 1.386 175.985 174.600 -0.002 0.000 1.030 257 S CA 1.899 60.096 58.200 -0.004 0.000 0.970 257 S CB 0.087 63.286 63.200 -0.002 0.000 0.928 257 S HN 1.801 nan 8.310 nan 0.000 0.451 258 G N -0.525 108.274 108.800 -0.001 0.000 4.719 258 G HA2 0.328 4.289 3.960 0.001 0.000 0.220 258 G HA3 0.328 4.289 3.960 0.001 0.000 0.220 258 G C -0.057 174.844 174.900 0.002 0.000 0.663 258 G CA 0.033 45.133 45.100 -0.000 0.000 0.969 258 G HN 0.674 nan 8.290 nan 0.000 0.716 259 A N 1.726 124.548 122.820 0.002 0.000 2.515 259 A HA 0.289 4.610 4.320 0.001 0.000 0.276 259 A C 1.664 179.242 177.584 -0.010 0.000 1.104 259 A CA 0.930 52.967 52.037 0.000 0.000 0.822 259 A CB -0.076 18.921 19.000 -0.004 0.000 1.016 259 A HN 0.722 nan 8.150 nan 0.000 0.530 260 N N 2.261 120.956 118.700 -0.009 0.000 2.457 260 N HA -0.040 4.701 4.740 0.001 0.000 0.180 260 N C -0.211 175.276 175.510 -0.039 0.000 1.050 260 N CA 1.300 54.340 53.050 -0.017 0.000 0.906 260 N CB -0.101 38.378 38.487 -0.013 0.000 0.968 260 N HN 0.319 nan 8.380 nan 0.000 0.445 261 V N 0.643 120.531 119.914 -0.043 0.000 2.686 261 V HA 0.581 4.702 4.120 0.001 0.000 0.306 261 V C -0.907 175.122 176.094 -0.108 0.000 1.065 261 V CA -0.968 61.275 62.300 -0.096 0.000 0.894 261 V CB 1.873 33.677 31.823 -0.031 0.000 1.004 261 V HN 0.157 nan 8.190 nan 0.000 0.424 262 L N 4.361 125.424 121.223 -0.265 0.000 2.513 262 L HA 0.744 5.084 4.340 0.001 0.000 0.261 262 L C -1.988 174.655 176.870 -0.378 0.000 0.945 262 L CA -0.156 54.587 54.840 -0.162 0.000 0.848 262 L CB 2.232 44.235 42.059 -0.093 0.000 1.334 262 L HN 0.573 nan 8.230 nan 0.000 0.407 263 F N 3.660 123.618 119.950 0.012 0.000 2.460 263 F HA 0.536 5.063 4.527 0.001 0.000 0.341 263 F C 0.029 175.834 175.800 0.009 0.000 1.130 263 F CA -0.809 57.198 58.000 0.010 0.000 0.962 263 F CB 1.400 40.405 39.000 0.008 0.000 1.171 263 F HN 0.491 nan 8.300 nan 0.000 0.436 264 C N 1.379 120.763 119.300 0.141 0.000 2.355 264 C HA 0.436 4.897 4.460 0.001 0.000 0.332 264 C C 1.172 176.212 174.990 0.083 0.000 1.255 264 C CA -0.760 58.310 59.018 0.088 0.000 1.792 264 C CB 1.200 28.970 27.740 0.050 0.000 2.300 264 C HN 1.043 nan 8.230 nan 0.000 0.515 265 Q N 0.885 120.723 119.800 0.064 0.000 2.435 265 Q HA 0.075 4.416 4.340 0.001 0.000 0.207 265 Q C 0.287 176.308 176.000 0.035 0.000 0.956 265 Q CA 1.068 56.899 55.803 0.047 0.000 0.917 265 Q CB 0.196 28.955 28.738 0.034 0.000 0.997 265 Q HN 0.685 nan 8.270 nan 0.000 0.497 266 K N -0.348 120.073 120.400 0.035 0.000 2.435 266 K HA 0.363 4.684 4.320 0.001 0.000 0.251 266 K C -0.329 176.288 176.600 0.029 0.000 0.954 266 K CA -0.176 56.127 56.287 0.028 0.000 0.820 266 K CB 1.404 33.918 32.500 0.024 0.000 1.292 266 K HN 0.214 nan 8.250 nan 0.000 0.436 267 G N 1.563 110.378 108.800 0.024 0.000 3.501 267 G HA2 -0.173 3.788 3.960 0.001 0.000 0.293 267 G HA3 -0.173 3.788 3.960 0.001 0.000 0.293 267 G C -0.159 174.754 174.900 0.022 0.000 0.790 267 G CA 0.030 45.143 45.100 0.022 0.000 1.092 267 G HN 0.512 nan 8.290 nan 0.000 0.373 268 I N 0.349 120.930 120.570 0.019 0.000 2.722 268 I HA 0.292 4.462 4.170 0.001 0.000 0.295 268 I C -0.803 175.325 176.117 0.019 0.000 1.161 268 I CA -0.946 60.366 61.300 0.021 0.000 1.032 268 I CB 2.462 40.473 38.000 0.018 0.000 1.244 268 I HN 0.554 nan 8.210 nan 0.000 0.421 269 D N 2.307 122.721 120.400 0.023 0.000 2.229 269 D HA 0.256 4.897 4.640 0.001 0.000 0.249 269 D C 0.225 176.534 176.300 0.015 0.000 1.027 269 D CA -0.108 53.903 54.000 0.018 0.000 0.923 269 D CB 1.729 42.542 40.800 0.022 0.000 1.174 269 D HN 0.482 nan 8.370 nan 0.000 0.443 270 D N 0.865 121.265 120.400 0.001 0.000 2.347 270 D HA -0.005 4.635 4.640 0.001 0.000 0.215 270 D C 1.400 177.685 176.300 -0.026 0.000 0.976 270 D CA 0.309 54.303 54.000 -0.010 0.000 0.884 270 D CB 0.153 40.941 40.800 -0.020 0.000 0.915 270 D HN 0.259 nan 8.370 nan 0.000 0.526 271 L N -0.635 120.570 121.223 -0.030 0.000 2.446 271 L HA 0.317 4.658 4.340 0.001 0.000 0.219 271 L C 1.816 178.659 176.870 -0.045 0.000 1.116 271 L CA 0.514 55.306 54.840 -0.080 0.000 0.844 271 L CB -0.069 41.925 42.059 -0.107 0.000 0.970 271 L HN -0.060 nan 8.230 nan 0.000 0.457 272 A N 0.272 123.130 122.820 0.063 0.000 1.873 272 A HA -0.216 4.105 4.320 0.001 0.000 0.215 272 A C 2.107 179.753 177.584 0.103 0.000 1.186 272 A CA 1.532 53.649 52.037 0.132 0.000 0.616 272 A CB -0.579 18.490 19.000 0.115 0.000 0.823 272 A HN 0.677 nan 8.150 nan 0.000 0.442 273 Q N -0.586 119.245 119.800 0.052 0.000 2.045 273 Q HA -0.282 4.059 4.340 0.001 0.000 0.206 273 Q C 1.998 178.021 176.000 0.038 0.000 0.991 273 Q CA 1.945 57.771 55.803 0.039 0.000 0.851 273 Q CB -0.945 27.803 28.738 0.017 0.000 0.911 273 Q HN 0.808 nan 8.270 nan 0.000 0.418 274 H N -0.234 118.792 119.070 -0.073 0.000 2.255 274 H HA -0.247 4.309 4.556 0.001 0.000 0.290 274 H C 1.669 176.947 175.328 -0.084 0.000 1.087 274 H CA 2.438 58.411 56.048 -0.126 0.000 1.213 274 H CB -0.304 29.319 29.762 -0.233 0.000 1.349 274 H HN 0.362 nan 8.280 nan 0.000 0.487 275 Y N 0.516 120.803 120.300 -0.021 0.000 1.997 275 Y HA -0.289 4.262 4.550 0.001 0.000 0.265 275 Y C 3.113 178.959 175.900 -0.090 0.000 1.193 275 Y CA 1.681 59.741 58.100 -0.067 0.000 1.106 275 Y CB -1.178 37.282 38.460 0.000 0.000 0.940 275 Y HN 0.158 nan 8.280 nan 0.000 0.494 276 L N -0.633 120.655 121.223 0.109 0.000 2.189 276 L HA -0.224 4.116 4.340 0.001 0.000 0.214 276 L C 2.465 179.327 176.870 -0.014 0.000 1.097 276 L CA 1.739 56.596 54.840 0.028 0.000 0.764 276 L CB -0.988 41.080 42.059 0.015 0.000 0.900 276 L HN 0.257 nan 8.230 nan 0.000 0.436 277 A N -0.683 122.113 122.820 -0.041 0.000 1.984 277 A HA -0.096 4.224 4.320 0.001 0.000 0.214 277 A C 2.338 179.859 177.584 -0.105 0.000 1.173 277 A CA 0.835 52.832 52.037 -0.066 0.000 0.673 277 A CB -0.312 18.652 19.000 -0.059 0.000 0.830 277 A HN 0.299 nan 8.150 nan 0.000 0.453 278 K N 0.134 120.421 120.400 -0.189 0.000 2.144 278 K HA -0.263 4.057 4.320 0.001 0.000 0.209 278 K C 1.681 178.245 176.600 -0.062 0.000 1.047 278 K CA 2.162 58.357 56.287 -0.153 0.000 0.927 278 K CB -0.135 32.219 32.500 -0.243 0.000 0.716 278 K HN 0.603 nan 8.250 nan 0.000 0.454 279 E N -2.269 117.910 120.200 -0.036 0.000 2.190 279 E HA 0.042 4.393 4.350 0.001 0.000 0.191 279 E C 1.026 177.612 176.600 -0.023 0.000 0.978 279 E CA 0.734 57.120 56.400 -0.024 0.000 0.839 279 E CB 0.531 30.220 29.700 -0.018 0.000 0.787 279 E HN 0.577 nan 8.360 nan 0.000 0.473 280 G N 0.266 109.050 108.800 -0.028 0.000 2.229 280 G HA2 -0.186 3.774 3.960 0.001 0.000 0.189 280 G HA3 -0.186 3.774 3.960 0.001 0.000 0.189 280 G C 0.200 175.084 174.900 -0.028 0.000 1.000 280 G CA -0.422 44.663 45.100 -0.025 0.000 0.663 280 G HN 0.135 nan 8.290 nan 0.000 0.493 281 I N 2.738 123.290 120.570 -0.030 0.000 2.452 281 I HA 0.312 4.482 4.170 0.001 0.000 0.287 281 I C 1.378 177.464 176.117 -0.052 0.000 1.079 281 I CA -0.198 61.079 61.300 -0.038 0.000 1.387 281 I CB 1.175 39.157 38.000 -0.030 0.000 1.404 281 I HN 0.205 nan 8.210 nan 0.000 0.522 282 V N 4.957 124.827 119.914 -0.073 0.000 2.785 282 V HA 0.884 5.004 4.120 0.001 0.000 0.300 282 V C 0.002 176.005 176.094 -0.151 0.000 1.062 282 V CA -0.378 61.862 62.300 -0.101 0.000 1.029 282 V CB 1.477 33.237 31.823 -0.105 0.000 1.024 282 V HN 0.863 nan 8.190 nan 0.000 0.477 283 A N 3.323 126.045 122.820 -0.162 0.000 2.512 283 A HA 0.831 5.152 4.320 0.001 0.000 0.294 283 A C -0.389 177.100 177.584 -0.158 0.000 1.054 283 A CA -0.146 51.779 52.037 -0.188 0.000 0.756 283 A CB 0.992 19.932 19.000 -0.100 0.000 1.293 283 A HN 2.332 nan 8.150 nan 0.000 0.395 284 A N 2.865 125.564 122.820 -0.202 0.000 2.252 284 A HA 0.643 4.963 4.320 0.001 0.000 0.309 284 A C 0.666 178.263 177.584 0.021 0.000 1.285 284 A CA -0.303 51.695 52.037 -0.065 0.000 0.900 284 A CB 0.036 19.055 19.000 0.033 0.000 1.157 284 A HN 1.277 nan 8.150 nan 0.000 0.536 285 R N 1.750 122.265 120.500 0.026 0.000 2.828 285 R HA 0.337 4.677 4.340 0.001 0.000 0.270 285 R C -0.012 176.318 176.300 0.050 0.000 1.244 285 R CA -0.516 55.605 56.100 0.035 0.000 1.143 285 R CB 0.110 30.424 30.300 0.023 0.000 1.128 285 R HN 0.403 nan 8.270 nan 0.000 0.587 286 R N 0.577 121.100 120.500 0.038 0.000 3.927 286 R HA -0.043 4.298 4.340 0.001 0.000 0.187 286 R C -0.461 175.865 176.300 0.043 0.000 2.122 286 R CA 0.529 56.651 56.100 0.036 0.000 1.718 286 R CB -1.861 28.454 30.300 0.025 0.000 1.177 286 R HN 0.401 nan 8.270 nan 0.000 0.627 287 V N 1.141 121.094 119.914 0.065 0.000 2.717 287 V HA -0.201 3.920 4.120 0.001 0.000 0.302 287 V C 0.959 177.075 176.094 0.036 0.000 1.097 287 V CA 0.422 62.761 62.300 0.065 0.000 1.262 287 V CB -0.153 31.737 31.823 0.111 0.000 0.846 287 V HN 0.300 nan 8.190 nan 0.000 0.485 288 K N 4.605 125.013 120.400 0.014 0.000 2.237 288 K HA 0.154 4.474 4.320 0.001 0.000 0.270 288 K C 1.057 177.656 176.600 -0.002 0.000 1.015 288 K CA -0.383 55.906 56.287 0.004 0.000 0.949 288 K CB 0.903 33.403 32.500 -0.001 0.000 0.976 288 K HN 0.758 nan 8.250 nan 0.000 0.472 289 K N 1.471 121.872 120.400 0.001 0.000 2.274 289 K HA -0.467 3.853 4.320 0.001 0.000 0.197 289 K C 1.414 178.006 176.600 -0.014 0.000 0.690 289 K CA 2.643 58.927 56.287 -0.004 0.000 1.049 289 K CB -0.891 31.610 32.500 0.001 0.000 0.632 289 K HN 0.695 nan 8.250 nan 0.000 0.835 290 S N 0.692 116.381 115.700 -0.017 0.000 2.209 290 S HA -0.314 4.156 4.470 0.001 0.000 0.488 290 S C 1.212 175.787 174.600 -0.042 0.000 0.996 290 S CA 2.704 60.889 58.200 -0.026 0.000 2.940 290 S CB -1.081 62.105 63.200 -0.024 0.000 2.109 290 S HN 0.623 nan 8.310 nan 0.000 0.533 291 D N 0.381 120.750 120.400 -0.052 0.000 2.309 291 D HA -0.001 4.639 4.640 0.001 0.000 0.212 291 D C 1.867 178.100 176.300 -0.112 0.000 0.968 291 D CA 0.666 54.614 54.000 -0.086 0.000 0.882 291 D CB -0.129 40.618 40.800 -0.088 0.000 0.918 291 D HN 0.313 nan 8.370 nan 0.000 0.503 292 M N 0.101 119.662 119.600 -0.066 0.000 2.081 292 M HA -0.068 4.412 4.480 0.001 0.000 0.261 292 M C 1.478 177.748 176.300 -0.049 0.000 1.075 292 M CA 1.262 56.532 55.300 -0.051 0.000 1.133 292 M CB -0.857 31.736 32.600 -0.013 0.000 1.330 292 M HN 0.029 nan 8.290 nan 0.000 0.414 293 E N 0.053 120.231 120.200 -0.037 0.000 2.463 293 E HA -0.030 4.321 4.350 0.001 0.000 0.191 293 E C 1.234 177.811 176.600 -0.037 0.000 1.083 293 E CA 0.388 56.770 56.400 -0.030 0.000 0.872 293 E CB -0.252 29.440 29.700 -0.014 0.000 0.966 293 E HN 0.486 nan 8.360 nan 0.000 0.491 294 K N 0.430 120.794 120.400 -0.060 0.000 2.202 294 K HA 0.141 4.461 4.320 0.001 0.000 0.201 294 K C 1.676 178.218 176.600 -0.097 0.000 1.051 294 K CA 0.407 56.650 56.287 -0.073 0.000 0.977 294 K CB 0.075 32.535 32.500 -0.068 0.000 0.792 294 K HN 0.058 nan 8.250 nan 0.000 0.469 295 L N 0.989 122.123 121.223 -0.148 0.000 2.217 295 L HA -0.002 4.339 4.340 0.001 0.000 0.211 295 L C 2.484 179.293 176.870 -0.103 0.000 1.107 295 L CA 0.715 55.434 54.840 -0.201 0.000 0.783 295 L CB -0.446 41.371 42.059 -0.404 0.000 0.919 295 L HN 0.199 nan 8.230 nan 0.000 0.442 296 A N 0.053 122.836 122.820 -0.062 0.000 2.015 296 A HA -0.157 4.164 4.320 0.001 0.000 0.219 296 A C 2.197 179.787 177.584 0.009 0.000 1.163 296 A CA 1.360 53.387 52.037 -0.016 0.000 0.646 296 A CB -0.192 18.802 19.000 -0.011 0.000 0.806 296 A HN 0.330 nan 8.150 nan 0.000 0.448 297 K N -0.888 119.516 120.400 0.007 0.000 2.367 297 K HA 0.331 4.651 4.320 0.001 0.000 0.194 297 K C 1.889 178.501 176.600 0.019 0.000 1.027 297 K CA 0.466 56.774 56.287 0.035 0.000 1.075 297 K CB 0.182 32.693 32.500 0.018 0.000 0.845 297 K HN 0.402 nan 8.250 nan 0.000 0.529 298 A N 1.206 124.019 122.820 -0.011 0.000 1.844 298 A HA -0.116 4.204 4.320 0.001 0.000 0.212 298 A C 2.268 179.860 177.584 0.014 0.000 1.221 298 A CA 1.926 53.957 52.037 -0.010 0.000 0.607 298 A CB -0.979 17.999 19.000 -0.037 0.000 0.878 298 A HN 0.319 nan 8.150 nan 0.000 0.451 299 T N -3.673 110.887 114.554 0.011 0.000 2.995 299 T HA 0.329 4.679 4.350 0.001 0.000 0.269 299 T C 1.337 176.063 174.700 0.042 0.000 1.091 299 T CA 1.583 63.704 62.100 0.034 0.000 1.128 299 T CB -0.110 68.783 68.868 0.042 0.000 0.891 299 T HN 1.862 nan 8.240 nan 0.000 0.492 300 G N 0.683 109.509 108.800 0.043 0.000 2.148 300 G HA2 0.099 4.059 3.960 0.001 0.000 0.203 300 G HA3 0.099 4.059 3.960 0.001 0.000 0.203 300 G C 0.282 175.194 174.900 0.020 0.000 0.993 300 G CA -0.053 45.074 45.100 0.046 0.000 0.661 300 G HN 1.090 nan 8.290 nan 0.000 0.518 301 A N 0.043 122.875 122.820 0.021 0.000 2.429 301 A HA 0.570 4.890 4.320 0.001 0.000 0.242 301 A C 0.701 178.291 177.584 0.009 0.000 1.088 301 A CA 0.607 52.654 52.037 0.017 0.000 0.784 301 A CB 0.091 19.105 19.000 0.023 0.000 1.038 301 A HN 1.236 nan 8.150 nan 0.000 0.501 302 N N -0.343 118.362 118.700 0.008 0.000 2.530 302 N HA 0.353 5.094 4.740 0.001 0.000 0.277 302 N C -0.386 175.133 175.510 0.014 0.000 1.168 302 N CA -0.491 52.564 53.050 0.008 0.000 0.979 302 N CB 1.092 39.581 38.487 0.003 0.000 1.141 302 N HN 0.593 nan 8.380 nan 0.000 0.459 303 V N 2.303 122.224 119.914 0.011 0.000 2.508 303 V HA 0.335 4.455 4.120 0.001 0.000 0.281 303 V C 0.235 176.337 176.094 0.014 0.000 1.041 303 V CA -0.705 61.603 62.300 0.013 0.000 1.016 303 V CB -0.612 31.216 31.823 0.008 0.000 0.984 303 V HN 0.706 nan 8.190 nan 0.000 0.478 304 I N 4.044 124.625 120.570 0.018 0.000 2.750 304 I HA 0.582 4.753 4.170 0.001 0.000 0.308 304 I C 1.067 177.194 176.117 0.016 0.000 1.016 304 I CA -0.044 61.266 61.300 0.016 0.000 1.098 304 I CB 1.829 39.839 38.000 0.016 0.000 1.279 304 I HN 0.788 nan 8.210 nan 0.000 0.454 305 T N 1.830 116.392 114.554 0.013 0.000 5.359 305 T HA -0.149 4.201 4.350 0.001 0.000 0.188 305 T C 1.047 175.756 174.700 0.015 0.000 1.112 305 T CA 0.608 62.716 62.100 0.012 0.000 1.355 305 T CB -0.700 68.174 68.868 0.011 0.000 0.876 305 T HN 0.760 nan 8.240 nan 0.000 0.276 306 N N 0.746 119.455 118.700 0.013 0.000 2.207 306 N HA -0.038 4.703 4.740 0.001 0.000 0.220 306 N C 1.464 176.985 175.510 0.018 0.000 1.303 306 N CA 0.677 53.736 53.050 0.015 0.000 0.875 306 N CB -0.250 38.244 38.487 0.012 0.000 1.094 306 N HN 0.643 nan 8.380 nan 0.000 0.435 307 I N 0.651 121.233 120.570 0.019 0.000 4.906 307 I HA -0.571 3.600 4.170 0.001 0.000 0.038 307 I C 2.003 178.128 176.117 0.013 0.000 0.635 307 I CA 2.433 63.743 61.300 0.017 0.000 0.223 307 I CB -0.437 37.574 38.000 0.018 0.000 0.328 307 I HN 0.717 nan 8.210 nan 0.000 0.153 308 K N 0.334 120.740 120.400 0.009 0.000 2.184 308 K HA -0.307 4.013 4.320 0.001 0.000 0.210 308 K C 1.541 178.143 176.600 0.005 0.000 1.048 308 K CA 2.340 58.630 56.287 0.005 0.000 0.931 308 K CB -0.532 31.970 32.500 0.003 0.000 0.718 308 K HN 0.567 nan 8.250 nan 0.000 0.465 309 D N 0.899 121.303 120.400 0.007 0.000 2.221 309 D HA -0.073 4.568 4.640 0.001 0.000 0.204 309 D C 0.635 176.941 176.300 0.010 0.000 0.982 309 D CA 0.522 54.526 54.000 0.008 0.000 0.857 309 D CB -0.052 40.754 40.800 0.009 0.000 0.934 309 D HN 0.126 nan 8.370 nan 0.000 0.475 310 L N 0.316 121.547 121.223 0.012 0.000 2.516 310 L HA -0.047 4.293 4.340 0.001 0.000 0.288 310 L C 0.571 177.447 176.870 0.009 0.000 1.246 310 L CA 0.675 55.524 54.840 0.015 0.000 0.844 310 L CB 0.642 42.710 42.059 0.014 0.000 1.106 310 L HN -0.123 nan 8.230 nan 0.000 0.509 311 S N -0.033 115.673 115.700 0.011 0.000 2.718 311 S HA 0.554 5.024 4.470 0.001 0.000 0.271 311 S C -1.518 173.089 174.600 0.011 0.000 0.999 311 S CA -0.207 57.998 58.200 0.008 0.000 0.899 311 S CB 1.156 64.359 63.200 0.005 0.000 1.148 311 S HN 0.717 nan 8.310 nan 0.000 0.463 312 A N 2.313 125.138 122.820 0.009 0.000 3.127 312 A HA 0.634 4.954 4.320 0.001 0.000 0.319 312 A C 0.014 177.602 177.584 0.007 0.000 1.104 312 A CA 0.601 52.645 52.037 0.011 0.000 0.802 312 A CB -0.038 18.970 19.000 0.014 0.000 1.193 312 A HN 1.428 nan 8.150 nan 0.000 0.479 313 Q N 1.841 121.644 119.800 0.005 0.000 1.529 313 Q HA -0.387 3.954 4.340 0.001 0.000 0.430 313 Q C 0.498 176.501 176.000 0.005 0.000 0.943 313 Q CA 3.760 59.565 55.803 0.004 0.000 0.641 313 Q CB -1.188 27.549 28.738 -0.000 0.000 4.614 313 Q HN 1.788 nan 8.270 nan 0.000 0.659 314 D N -3.468 116.935 120.400 0.005 0.000 4.005 314 D HA -0.271 4.369 4.640 0.001 0.000 0.222 314 D C -0.298 176.013 176.300 0.018 0.000 1.463 314 D CA 2.235 56.242 54.000 0.012 0.000 2.312 314 D CB -1.025 39.782 40.800 0.011 0.000 1.269 314 D HN 0.464 nan 8.370 nan 0.000 0.416 315 L N 0.671 121.906 121.223 0.019 0.000 2.322 315 L HA 0.804 5.144 4.340 0.001 0.000 0.269 315 L C 1.349 178.236 176.870 0.028 0.000 1.012 315 L CA -0.095 54.762 54.840 0.028 0.000 0.815 315 L CB 1.500 43.577 42.059 0.030 0.000 1.295 315 L HN 0.433 nan 8.230 nan 0.000 0.438 316 G N -0.490 108.336 108.800 0.042 0.000 2.795 316 G HA2 0.539 4.500 3.960 0.001 0.000 0.267 316 G HA3 0.539 4.500 3.960 0.001 0.000 0.267 316 G C -1.611 173.314 174.900 0.042 0.000 1.362 316 G CA -0.088 45.038 45.100 0.042 0.000 1.048 316 G HN 0.521 nan 8.290 nan 0.000 0.547 317 D N -1.461 118.966 120.400 0.045 0.000 2.764 317 D HA 0.562 5.203 4.640 0.001 0.000 0.227 317 D C -0.687 175.642 176.300 0.050 0.000 1.347 317 D CA -0.139 53.888 54.000 0.044 0.000 0.953 317 D CB 1.410 42.230 40.800 0.034 0.000 1.476 317 D HN 0.605 nan 8.370 nan 0.000 0.585 318 A N 2.188 125.041 122.820 0.055 0.000 2.408 318 A HA 0.645 4.966 4.320 0.001 0.000 0.295 318 A C 0.748 178.366 177.584 0.056 0.000 1.040 318 A CA -0.343 51.731 52.037 0.062 0.000 0.707 318 A CB 1.609 20.661 19.000 0.086 0.000 1.235 318 A HN 0.560 nan 8.150 nan 0.000 0.418 319 G N 0.329 109.158 108.800 0.049 0.000 2.985 319 G HA2 0.446 4.407 3.960 0.001 0.000 0.209 319 G HA3 0.446 4.407 3.960 0.001 0.000 0.209 319 G C -0.240 174.683 174.900 0.037 0.000 1.165 319 G CA 0.386 45.508 45.100 0.038 0.000 0.776 319 G HN 0.675 nan 8.290 nan 0.000 0.541 320 L N 0.191 121.445 121.223 0.052 0.000 2.949 320 L HA 0.316 4.656 4.340 0.001 0.000 0.258 320 L C -1.213 175.709 176.870 0.085 0.000 0.941 320 L CA -0.230 54.642 54.840 0.052 0.000 1.053 320 L CB 2.290 44.369 42.059 0.034 0.000 1.550 320 L HN -0.155 nan 8.230 nan 0.000 0.493 321 V N 3.179 123.144 119.914 0.086 0.000 2.380 321 V HA 0.503 4.624 4.120 0.001 0.000 0.268 321 V C -0.195 175.961 176.094 0.102 0.000 1.008 321 V CA -0.511 61.864 62.300 0.126 0.000 0.823 321 V CB 1.418 33.321 31.823 0.133 0.000 1.053 321 V HN 0.709 nan 8.190 nan 0.000 0.446 322 E N 2.482 122.749 120.200 0.111 0.000 2.244 322 E HA 0.439 4.789 4.350 0.001 0.000 0.266 322 E C -0.600 176.084 176.600 0.140 0.000 0.914 322 E CA -0.733 55.711 56.400 0.073 0.000 0.794 322 E CB 1.916 31.613 29.700 -0.005 0.000 1.210 322 E HN 0.621 nan 8.360 nan 0.000 0.414 323 E N 3.715 123.984 120.200 0.115 0.000 2.001 323 E HA 0.146 4.496 4.350 0.001 0.000 0.279 323 E C -0.968 175.700 176.600 0.113 0.000 1.045 323 E CA -0.277 56.206 56.400 0.138 0.000 0.833 323 E CB 0.447 30.201 29.700 0.090 0.000 1.077 323 E HN 0.343 nan 8.360 nan 0.000 0.397 324 R N 4.259 124.864 120.500 0.174 0.000 2.275 324 R HA 0.186 4.526 4.340 0.001 0.000 0.326 324 R C -0.352 176.039 176.300 0.152 0.000 0.973 324 R CA -0.684 55.477 56.100 0.100 0.000 0.854 324 R CB 1.072 31.329 30.300 -0.072 0.000 1.156 324 R HN 0.336 nan 8.270 nan 0.000 0.487 325 K N 3.189 123.637 120.400 0.080 0.000 2.356 325 K HA -0.172 4.148 4.320 0.001 0.000 0.252 325 K C -0.093 176.554 176.600 0.079 0.000 1.187 325 K CA 0.942 57.267 56.287 0.064 0.000 1.227 325 K CB 0.011 32.538 32.500 0.044 0.000 0.758 325 K HN 0.566 nan 8.250 nan 0.000 0.510 326 I N 2.758 123.380 120.570 0.087 0.000 2.468 326 I HA 0.007 4.178 4.170 0.001 0.000 0.285 326 I C -0.196 175.953 176.117 0.055 0.000 1.039 326 I CA -0.164 61.188 61.300 0.087 0.000 1.074 326 I CB 1.608 39.691 38.000 0.139 0.000 1.228 326 I HN 0.912 nan 8.210 nan 0.000 0.436 327 S N 4.336 120.060 115.700 0.040 0.000 3.711 327 S HA -0.150 4.321 4.470 0.001 0.000 0.374 327 S C 0.648 175.262 174.600 0.022 0.000 0.969 327 S CA 0.485 58.700 58.200 0.026 0.000 1.198 327 S CB -1.931 61.282 63.200 0.022 0.000 0.903 327 S HN 1.301 nan 8.310 nan 0.000 0.493 328 G N 2.442 111.256 108.800 0.023 0.000 2.527 328 G HA2 0.300 4.260 3.960 0.001 0.000 0.288 328 G HA3 0.300 4.260 3.960 0.001 0.000 0.288 328 G C 0.035 174.952 174.900 0.028 0.000 0.651 328 G CA 0.369 45.486 45.100 0.028 0.000 2.096 328 G HN 0.819 nan 8.290 nan 0.000 0.520 329 D N 0.729 121.148 120.400 0.032 0.000 2.269 329 D HA 0.356 4.997 4.640 0.001 0.000 0.244 329 D C 0.097 176.425 176.300 0.046 0.000 0.992 329 D CA -0.546 53.473 54.000 0.031 0.000 0.894 329 D CB 1.524 42.338 40.800 0.022 0.000 1.248 329 D HN 0.163 nan 8.370 nan 0.000 0.468 330 S N 0.800 116.529 115.700 0.049 0.000 2.564 330 S HA 0.494 4.965 4.470 0.001 0.000 0.278 330 S C 0.287 174.931 174.600 0.073 0.000 1.333 330 S CA -0.429 57.812 58.200 0.067 0.000 1.048 330 S CB 0.450 63.688 63.200 0.063 0.000 0.900 330 S HN 0.382 nan 8.310 nan 0.000 0.505 331 M N 2.194 121.856 119.600 0.104 0.000 2.413 331 M HA 0.449 4.930 4.480 0.001 0.000 0.287 331 M C -1.418 174.974 176.300 0.153 0.000 1.186 331 M CA -0.287 55.055 55.300 0.070 0.000 0.927 331 M CB 1.954 34.541 32.600 -0.022 0.000 1.715 331 M HN 0.477 nan 8.290 nan 0.000 0.478 332 I N 2.033 122.665 120.570 0.104 0.000 2.359 332 I HA 0.470 4.640 4.170 0.001 0.000 0.294 332 I C -1.047 175.140 176.117 0.117 0.000 0.987 332 I CA -0.373 61.051 61.300 0.208 0.000 1.225 332 I CB 1.040 39.217 38.000 0.294 0.000 1.366 332 I HN 0.448 nan 8.210 nan 0.000 0.466 333 F N 4.940 124.945 119.950 0.092 0.000 2.450 333 F HA 0.586 5.113 4.527 0.001 0.000 0.328 333 F C 0.284 176.128 175.800 0.073 0.000 1.068 333 F CA -0.672 57.363 58.000 0.059 0.000 1.007 333 F CB 1.639 40.663 39.000 0.039 0.000 1.251 333 F HN -0.035 nan 8.300 nan 0.000 0.492 334 V N 0.908 120.949 119.914 0.212 0.000 3.138 334 V HA 0.162 4.283 4.120 0.001 0.000 0.307 334 V C -0.566 175.587 176.094 0.099 0.000 0.985 334 V CA -0.831 61.548 62.300 0.132 0.000 1.291 334 V CB 0.029 31.882 31.823 0.049 0.000 0.933 334 V HN 0.779 nan 8.190 nan 0.000 0.504 335 E N 0.547 120.820 120.200 0.123 0.000 2.267 335 E HA 0.679 5.029 4.350 0.001 0.000 0.258 335 E C 0.170 176.808 176.600 0.062 0.000 1.074 335 E CA -0.672 55.784 56.400 0.092 0.000 0.915 335 E CB 1.155 30.923 29.700 0.112 0.000 1.186 335 E HN 0.178 nan 8.360 nan 0.000 0.439 336 E N -1.165 119.064 120.200 0.048 0.000 2.791 336 E HA -0.190 4.161 4.350 0.001 0.000 0.271 336 E C -0.902 175.720 176.600 0.036 0.000 1.044 336 E CA 0.554 56.975 56.400 0.037 0.000 0.814 336 E CB -2.003 27.715 29.700 0.030 0.000 1.400 336 E HN 0.612 nan 8.360 nan 0.000 0.423 337 C N 1.037 120.358 119.300 0.036 0.000 2.155 337 C HA -0.136 4.325 4.460 0.001 0.000 0.392 337 C C 2.105 177.117 174.990 0.037 0.000 1.524 337 C CA 0.614 59.653 59.018 0.036 0.000 1.479 337 C CB 0.330 28.085 27.740 0.025 0.000 2.559 337 C HN 0.394 nan 8.230 nan 0.000 0.581 338 K N 2.989 123.422 120.400 0.055 0.000 2.057 338 K HA -0.143 4.178 4.320 0.001 0.000 0.206 338 K C 1.134 177.799 176.600 0.108 0.000 1.050 338 K CA 1.870 58.200 56.287 0.071 0.000 0.935 338 K CB -0.148 32.392 32.500 0.067 0.000 0.715 338 K HN 0.940 nan 8.250 nan 0.000 0.439 339 H N 1.005 120.078 119.070 0.005 0.000 2.716 339 H HA 0.313 4.870 4.556 0.001 0.000 0.230 339 H C -2.565 172.763 175.328 -0.000 0.000 1.401 339 H CA -1.465 54.584 56.048 0.003 0.000 1.168 339 H CB 0.815 30.578 29.762 0.002 0.000 1.935 339 H HN 0.051 nan 8.280 nan 0.000 0.538 340 P HA 0.145 nan 4.420 nan 0.000 0.286 340 P C 0.591 177.763 177.300 -0.214 0.000 1.321 340 P CA -0.440 62.583 63.100 -0.128 0.000 0.790 340 P CB 1.042 32.705 31.700 -0.062 0.000 0.897 341 K N 2.016 122.294 120.400 -0.203 0.000 2.393 341 K HA 0.297 4.618 4.320 0.001 0.000 0.193 341 K C 0.451 177.009 176.600 -0.070 0.000 1.026 341 K CA -0.024 56.175 56.287 -0.147 0.000 1.064 341 K CB 0.092 32.522 32.500 -0.117 0.000 0.833 341 K HN 0.362 nan 8.250 nan 0.000 0.521 342 A N 1.028 123.814 122.820 -0.056 0.000 2.350 342 A HA 0.706 5.027 4.320 0.001 0.000 0.318 342 A C -0.684 176.875 177.584 -0.041 0.000 1.132 342 A CA -0.619 51.394 52.037 -0.041 0.000 0.811 342 A CB 1.663 20.644 19.000 -0.032 0.000 1.313 342 A HN 0.071 nan 8.150 nan 0.000 0.454 343 V N -1.667 118.226 119.914 -0.035 0.000 3.087 343 V HA 0.723 4.844 4.120 0.001 0.000 0.306 343 V C -0.359 175.716 176.094 -0.033 0.000 1.187 343 V CA -0.725 61.557 62.300 -0.031 0.000 0.999 343 V CB 1.351 33.160 31.823 -0.025 0.000 1.049 343 V HN 0.871 nan 8.190 nan 0.000 0.431 344 T N 3.548 118.082 114.554 -0.034 0.000 2.895 344 T HA 0.666 5.016 4.350 0.001 0.000 0.283 344 T C -0.405 174.282 174.700 -0.023 0.000 1.014 344 T CA -0.350 61.726 62.100 -0.040 0.000 1.037 344 T CB 1.499 70.326 68.868 -0.067 0.000 1.006 344 T HN 0.780 nan 8.240 nan 0.000 0.468 345 M N 3.813 123.400 119.600 -0.022 0.000 2.007 345 M HA 0.398 4.879 4.480 0.001 0.000 0.285 345 M C -1.084 175.213 176.300 -0.004 0.000 0.893 345 M CA -0.657 54.640 55.300 -0.005 0.000 0.925 345 M CB 0.724 33.321 32.600 -0.006 0.000 1.568 345 M HN 0.539 nan 8.290 nan 0.000 0.414 346 L N 6.481 127.709 121.223 0.008 0.000 2.462 346 L HA 0.341 4.681 4.340 0.001 0.000 0.272 346 L C -1.170 175.718 176.870 0.030 0.000 1.166 346 L CA 0.372 55.222 54.840 0.018 0.000 0.880 346 L CB 0.214 42.317 42.059 0.073 0.000 1.142 346 L HN 0.665 nan 8.230 nan 0.000 0.473 347 I N 5.877 126.461 120.570 0.023 0.000 2.517 347 I HA 0.287 4.458 4.170 0.001 0.000 0.280 347 I C -0.223 175.910 176.117 0.026 0.000 1.061 347 I CA -0.884 60.429 61.300 0.022 0.000 1.091 347 I CB 1.070 39.079 38.000 0.015 0.000 1.205 347 I HN 0.635 nan 8.210 nan 0.000 0.459 348 R N 3.747 124.266 120.500 0.031 0.000 2.644 348 R HA 0.374 4.714 4.340 0.001 0.000 0.265 348 R C 0.253 176.568 176.300 0.024 0.000 0.985 348 R CA 0.234 56.352 56.100 0.029 0.000 1.097 348 R CB -0.123 30.198 30.300 0.034 0.000 0.931 348 R HN 0.913 nan 8.270 nan 0.000 0.419 349 G N -0.063 108.750 108.800 0.022 0.000 2.521 349 G HA2 0.257 4.217 3.960 0.001 0.000 0.589 349 G HA3 0.257 4.217 3.960 0.001 0.000 0.589 349 G C -0.008 174.904 174.900 0.020 0.000 1.501 349 G CA 0.135 45.247 45.100 0.021 0.000 0.887 349 G HN 1.428 nan 8.290 nan 0.000 0.654 350 T N -1.291 113.274 114.554 0.018 0.000 14.181 350 T HA -0.114 4.237 4.350 0.001 0.000 0.419 350 T C 1.093 175.800 174.700 0.012 0.000 1.441 350 T CA 2.077 64.189 62.100 0.020 0.000 2.332 350 T CB -1.473 67.408 68.868 0.022 0.000 2.757 350 T HN 2.475 nan 8.240 nan 0.000 0.238 351 T N -0.182 114.378 114.554 0.010 0.000 2.708 351 T HA 0.605 4.956 4.350 0.001 0.000 0.256 351 T C 1.110 175.801 174.700 -0.015 0.000 0.946 351 T CA 0.559 62.650 62.100 -0.016 0.000 1.039 351 T CB 1.201 70.040 68.868 -0.049 0.000 1.557 351 T HN 0.705 nan 8.240 nan 0.000 0.576 352 E N -0.165 119.996 120.200 -0.065 0.000 2.187 352 E HA -0.170 4.181 4.350 0.001 0.000 0.199 352 E C 1.712 178.308 176.600 -0.007 0.000 1.004 352 E CA 1.751 58.111 56.400 -0.068 0.000 0.813 352 E CB -0.209 29.430 29.700 -0.101 0.000 0.736 352 E HN 0.580 nan 8.360 nan 0.000 0.468 353 H N -1.024 118.048 119.070 0.003 0.000 2.293 353 H HA -0.095 4.462 4.556 0.001 0.000 0.300 353 H C 2.064 177.394 175.328 0.004 0.000 1.082 353 H CA 1.378 57.428 56.048 0.003 0.000 1.308 353 H CB 0.103 29.867 29.762 0.004 0.000 1.375 353 H HN 0.052 nan 8.280 nan 0.000 0.495 354 V N 0.932 120.929 119.914 0.139 0.000 2.490 354 V HA -0.221 3.899 4.120 0.001 0.000 0.250 354 V C 2.111 178.238 176.094 0.056 0.000 1.061 354 V CA 1.471 63.817 62.300 0.077 0.000 1.064 354 V CB -0.644 31.212 31.823 0.055 0.000 0.670 354 V HN 0.345 nan 8.190 nan 0.000 0.461 355 I N 0.867 121.469 120.570 0.054 0.000 2.265 355 I HA -0.143 4.027 4.170 0.001 0.000 0.225 355 I C 2.405 178.545 176.117 0.038 0.000 1.061 355 I CA 1.454 62.777 61.300 0.037 0.000 1.357 355 I CB -0.981 37.035 38.000 0.026 0.000 1.150 355 I HN 0.437 nan 8.210 nan 0.000 0.402 356 E N 1.426 121.654 120.200 0.045 0.000 3.385 356 E HA -0.486 3.865 4.350 0.001 0.000 0.248 356 E C 1.633 178.261 176.600 0.048 0.000 1.077 356 E CA 2.430 58.871 56.400 0.068 0.000 1.827 356 E CB -1.037 28.701 29.700 0.065 0.000 1.724 356 E HN 0.598 nan 8.360 nan 0.000 0.326 357 E N 1.094 121.322 120.200 0.047 0.000 2.072 357 E HA -0.065 4.286 4.350 0.001 0.000 0.190 357 E C 2.147 178.755 176.600 0.014 0.000 0.982 357 E CA 1.605 58.015 56.400 0.016 0.000 0.803 357 E CB -0.058 29.644 29.700 0.003 0.000 0.755 357 E HN 0.357 nan 8.360 nan 0.000 0.453 358 V N 0.941 120.866 119.914 0.019 0.000 2.828 358 V HA -0.194 3.927 4.120 0.001 0.000 0.260 358 V C 2.147 178.247 176.094 0.010 0.000 1.101 358 V CA 1.613 63.922 62.300 0.014 0.000 1.123 358 V CB -0.841 30.991 31.823 0.016 0.000 0.704 358 V HN 0.448 nan 8.190 nan 0.000 0.493 359 A N -0.802 122.025 122.820 0.012 0.000 2.218 359 A HA 0.069 4.389 4.320 0.001 0.000 0.209 359 A C 2.342 179.928 177.584 0.004 0.000 1.168 359 A CA 0.645 52.686 52.037 0.006 0.000 0.804 359 A CB -0.148 18.855 19.000 0.005 0.000 0.834 359 A HN 0.479 nan 8.150 nan 0.000 0.482 360 R N -1.539 118.963 120.500 0.004 0.000 2.225 360 R HA 0.249 4.589 4.340 0.001 0.000 0.194 360 R C 1.919 178.218 176.300 -0.001 0.000 0.949 360 R CA 0.762 56.862 56.100 0.001 0.000 1.088 360 R CB 0.069 30.368 30.300 -0.002 0.000 1.106 360 R HN 0.351 nan 8.270 nan 0.000 0.566 361 A N 0.438 123.258 122.820 0.001 0.000 2.239 361 A HA 0.029 4.349 4.320 0.001 0.000 0.209 361 A C 1.459 179.044 177.584 0.002 0.000 1.171 361 A CA 0.761 52.799 52.037 0.002 0.000 0.768 361 A CB 0.116 19.118 19.000 0.004 0.000 0.790 361 A HN 0.106 nan 8.150 nan 0.000 0.478 362 V N -1.327 118.588 119.914 0.001 0.000 3.307 362 V HA -0.014 4.107 4.120 0.001 0.000 0.244 362 V C 1.652 177.744 176.094 -0.003 0.000 1.196 362 V CA 0.929 63.228 62.300 -0.001 0.000 1.132 362 V CB -0.118 31.704 31.823 -0.001 0.000 0.875 362 V HN 0.325 nan 8.190 nan 0.000 0.468 363 D N 0.988 121.386 120.400 -0.004 0.000 2.178 363 D HA -0.145 4.495 4.640 0.001 0.000 0.201 363 D C 1.700 177.998 176.300 -0.004 0.000 0.980 363 D CA 1.455 55.453 54.000 -0.005 0.000 0.842 363 D CB 0.047 40.845 40.800 -0.005 0.000 0.948 363 D HN 0.471 nan 8.370 nan 0.000 0.472 364 D N -0.657 119.741 120.400 -0.003 0.000 2.269 364 D HA 0.106 4.746 4.640 0.001 0.000 0.220 364 D C 1.869 178.167 176.300 -0.002 0.000 0.962 364 D CA 1.014 55.012 54.000 -0.003 0.000 0.884 364 D CB -0.193 40.605 40.800 -0.003 0.000 1.023 364 D HN 0.080 nan 8.370 nan 0.000 0.484 365 A N 0.890 123.709 122.820 -0.001 0.000 3.081 365 A HA -0.392 3.929 4.320 0.001 0.000 0.370 365 A C 2.194 179.777 177.584 -0.002 0.000 2.103 365 A CA 3.187 55.223 52.037 -0.001 0.000 0.973 365 A CB -1.619 17.382 19.000 0.001 0.000 1.467 365 A HN 0.198 nan 8.150 nan 0.000 0.647 366 V N 0.118 120.029 119.914 -0.004 0.000 2.626 366 V HA 0.016 4.136 4.120 0.001 0.000 0.252 366 V C 2.649 178.741 176.094 -0.005 0.000 1.067 366 V CA 2.487 64.784 62.300 -0.005 0.000 1.081 366 V CB -1.271 30.547 31.823 -0.007 0.000 0.686 366 V HN 1.048 nan 8.190 nan 0.000 0.468 367 G N 0.772 109.570 108.800 -0.004 0.000 2.404 367 G HA2 -0.158 3.802 3.960 0.001 0.000 0.213 367 G HA3 -0.158 3.802 3.960 0.001 0.000 0.213 367 G C 1.643 176.542 174.900 -0.003 0.000 1.189 367 G CA 1.204 46.302 45.100 -0.003 0.000 0.796 367 G HN 0.565 nan 8.290 nan 0.000 0.532 368 V N -1.109 118.804 119.914 -0.002 0.000 3.141 368 V HA 0.055 4.176 4.120 0.001 0.000 0.265 368 V C 2.342 178.435 176.094 -0.001 0.000 1.126 368 V CA 1.133 63.433 62.300 -0.001 0.000 1.141 368 V CB -0.120 31.703 31.823 -0.001 0.000 0.743 368 V HN 0.111 nan 8.190 nan 0.000 0.492 369 V N 1.515 121.428 119.914 -0.001 0.000 2.725 369 V HA 0.185 4.305 4.120 0.001 0.000 0.247 369 V C 2.646 178.738 176.094 -0.003 0.000 1.058 369 V CA 1.520 63.819 62.300 -0.002 0.000 1.080 369 V CB -0.454 31.368 31.823 -0.002 0.000 0.713 369 V HN 0.613 nan 8.190 nan 0.000 0.465 370 G N -1.400 107.398 108.800 -0.003 0.000 2.776 370 G HA2 -0.152 3.808 3.960 0.001 0.000 0.209 370 G HA3 -0.152 3.808 3.960 0.001 0.000 0.209 370 G C 1.315 176.213 174.900 -0.002 0.000 1.145 370 G CA 1.003 46.101 45.100 -0.003 0.000 0.791 370 G HN 0.565 nan 8.290 nan 0.000 0.530 371 C N -0.380 118.919 119.300 -0.002 0.000 2.518 371 C HA 0.130 4.591 4.460 0.001 0.000 0.283 371 C C 2.739 177.728 174.990 -0.001 0.000 1.351 371 C CA 1.164 60.181 59.018 -0.001 0.000 1.745 371 C CB -0.295 27.445 27.740 -0.001 0.000 2.107 371 C HN 0.532 nan 8.230 nan 0.000 0.502 372 T N -1.507 113.047 114.554 -0.001 0.000 3.134 372 T HA 0.279 4.629 4.350 0.001 0.000 0.260 372 T C 1.252 175.952 174.700 -0.001 0.000 1.027 372 T CA 0.167 62.267 62.100 -0.000 0.000 0.913 372 T CB -0.335 68.534 68.868 0.001 0.000 1.046 372 T HN 0.243 nan 8.240 nan 0.000 0.553 373 I N 2.058 122.628 120.570 -0.001 0.000 2.188 373 I HA 0.023 4.194 4.170 0.001 0.000 0.237 373 I C 2.168 178.285 176.117 -0.001 0.000 1.073 373 I CA 1.258 62.557 61.300 -0.002 0.000 1.359 373 I CB -1.018 36.981 38.000 -0.002 0.000 1.083 373 I HN 0.405 nan 8.210 nan 0.000 0.412 374 E N 0.426 120.626 120.200 -0.001 0.000 2.502 374 E HA -0.002 4.348 4.350 0.001 0.000 0.194 374 E C -0.292 176.307 176.600 -0.001 0.000 1.062 374 E CA 0.178 56.577 56.400 -0.001 0.000 0.867 374 E CB 0.209 29.908 29.700 -0.001 0.000 0.888 374 E HN 0.322 nan 8.360 nan 0.000 0.510 375 D N -1.088 119.311 120.400 -0.001 0.000 2.521 375 D HA 0.039 4.680 4.640 0.001 0.000 0.195 375 D C 0.505 176.805 176.300 -0.001 0.000 1.286 375 D CA -0.208 53.791 54.000 -0.001 0.000 0.854 375 D CB 1.222 42.021 40.800 -0.002 0.000 1.723 375 D HN 0.060 nan 8.370 nan 0.000 0.550 376 G N 2.518 111.318 108.800 -0.000 0.000 2.564 376 G HA2 -0.163 3.797 3.960 0.001 0.000 0.216 376 G HA3 -0.163 3.797 3.960 0.001 0.000 0.216 376 G C 0.790 175.691 174.900 0.001 0.000 1.124 376 G CA 0.647 45.747 45.100 0.000 0.000 0.764 376 G HN 0.287 nan 8.290 nan 0.000 0.550 377 R N -0.715 119.786 120.500 0.001 0.000 2.828 377 R HA 0.699 5.040 4.340 0.001 0.000 0.264 377 R C -0.472 175.830 176.300 0.004 0.000 1.022 377 R CA -0.827 55.274 56.100 0.003 0.000 1.021 377 R CB 1.726 32.027 30.300 0.002 0.000 1.163 377 R HN 0.249 nan 8.270 nan 0.000 0.494 378 I N -1.707 118.867 120.570 0.006 0.000 2.569 378 I HA 0.669 4.839 4.170 0.001 0.000 0.290 378 I C -1.220 174.905 176.117 0.012 0.000 1.088 378 I CA -0.904 60.401 61.300 0.009 0.000 1.047 378 I CB 2.130 40.135 38.000 0.009 0.000 1.237 378 I HN 0.326 nan 8.210 nan 0.000 0.421 379 V N 4.041 123.963 119.914 0.013 0.000 3.130 379 V HA 0.466 4.587 4.120 0.001 0.000 0.310 379 V C 0.438 176.545 176.094 0.022 0.000 1.158 379 V CA -0.347 61.965 62.300 0.020 0.000 1.029 379 V CB 2.510 34.343 31.823 0.017 0.000 1.057 379 V HN 1.025 nan 8.190 nan 0.000 0.436 380 S N 2.692 118.413 115.700 0.035 0.000 3.248 380 S HA -0.155 4.316 4.470 0.001 0.000 0.277 380 S C 0.677 175.291 174.600 0.023 0.000 0.759 380 S CA 0.700 58.926 58.200 0.043 0.000 1.341 380 S CB -1.625 61.629 63.200 0.090 0.000 0.850 380 S HN 1.584 nan 8.310 nan 0.000 0.425 381 G N 1.204 110.014 108.800 0.016 0.000 2.529 381 G HA2 0.458 4.419 3.960 0.001 0.000 0.277 381 G HA3 0.458 4.419 3.960 0.001 0.000 0.277 381 G C 0.758 175.668 174.900 0.016 0.000 1.383 381 G CA -0.395 44.709 45.100 0.007 0.000 1.050 381 G HN 1.118 nan 8.290 nan 0.000 0.526 382 G N -0.692 108.107 108.800 -0.001 0.000 2.388 382 G HA2 0.446 4.407 3.960 0.001 0.000 0.289 382 G HA3 0.446 4.407 3.960 0.001 0.000 0.289 382 G C 1.264 176.161 174.900 -0.006 0.000 0.791 382 G CA 0.919 46.009 45.100 -0.017 0.000 1.619 382 G HN 1.920 nan 8.290 nan 0.000 0.375 383 G N 1.755 110.548 108.800 -0.011 0.000 2.395 383 G HA2 -0.258 3.703 3.960 0.001 0.000 0.292 383 G HA3 -0.258 3.703 3.960 0.001 0.000 0.292 383 G C 1.203 176.095 174.900 -0.013 0.000 0.953 383 G CA 0.501 45.590 45.100 -0.019 0.000 1.207 383 G HN 0.782 nan 8.290 nan 0.000 0.503 384 S N -0.960 114.751 115.700 0.018 0.000 2.461 384 S HA 0.003 4.474 4.470 0.001 0.000 0.228 384 S C 2.434 176.874 174.600 -0.267 0.000 1.005 384 S CA 1.478 59.688 58.200 0.016 0.000 0.942 384 S CB 0.083 63.459 63.200 0.293 0.000 0.776 384 S HN 0.659 nan 8.310 nan 0.000 0.514 385 T N 2.151 116.630 114.554 -0.126 0.000 3.035 385 T HA 0.013 4.363 4.350 0.001 0.000 0.259 385 T C 1.720 176.345 174.700 -0.126 0.000 1.078 385 T CA 0.514 62.544 62.100 -0.117 0.000 1.132 385 T CB 0.011 68.847 68.868 -0.053 0.000 0.900 385 T HN 0.436 nan 8.240 nan 0.000 0.480 386 E N 2.109 122.242 120.200 -0.111 0.000 1.998 386 E HA -0.095 4.255 4.350 0.001 0.000 0.195 386 E C 2.631 179.169 176.600 -0.103 0.000 0.994 386 E CA 1.352 57.700 56.400 -0.086 0.000 0.835 386 E CB -1.512 28.148 29.700 -0.065 0.000 0.786 386 E HN 0.455 nan 8.360 nan 0.000 0.467 387 V N 0.725 120.569 119.914 -0.117 0.000 2.428 387 V HA -0.319 3.802 4.120 0.001 0.000 0.255 387 V C 2.373 178.379 176.094 -0.146 0.000 1.080 387 V CA 2.675 64.910 62.300 -0.108 0.000 1.083 387 V CB -0.867 30.910 31.823 -0.078 0.000 0.665 387 V HN 0.212 nan 8.190 nan 0.000 0.461 388 E N 0.684 120.723 120.200 -0.269 0.000 2.046 388 E HA -0.083 4.268 4.350 0.001 0.000 0.190 388 E C 2.039 178.571 176.600 -0.114 0.000 0.982 388 E CA 1.600 57.850 56.400 -0.250 0.000 0.800 388 E CB -0.452 29.005 29.700 -0.405 0.000 0.756 388 E HN 0.648 nan 8.360 nan 0.000 0.449 389 L N 0.207 121.367 121.223 -0.105 0.000 1.990 389 L HA -0.237 4.104 4.340 0.001 0.000 0.213 389 L C 2.671 179.521 176.870 -0.034 0.000 1.072 389 L CA 1.571 56.375 54.840 -0.060 0.000 0.755 389 L CB -0.773 41.260 42.059 -0.044 0.000 0.889 389 L HN 0.237 nan 8.230 nan 0.000 0.432 390 S N 0.507 116.185 115.700 -0.036 0.000 2.369 390 S HA -0.266 4.204 4.470 0.001 0.000 0.225 390 S C 1.916 176.516 174.600 -0.001 0.000 1.043 390 S CA 2.261 60.453 58.200 -0.013 0.000 1.074 390 S CB -0.217 62.968 63.200 -0.025 0.000 0.962 390 S HN 0.479 nan 8.310 nan 0.000 0.433 391 M N -0.453 119.143 119.600 -0.007 0.000 2.562 391 M HA 0.158 4.639 4.480 0.001 0.000 0.257 391 M C 1.566 177.878 176.300 0.019 0.000 1.099 391 M CA 1.073 56.378 55.300 0.008 0.000 1.099 391 M CB -0.236 32.370 32.600 0.011 0.000 1.427 391 M HN 0.084 nan 8.290 nan 0.000 0.489 392 K N 1.075 121.483 120.400 0.014 0.000 2.242 392 K HA 0.213 4.533 4.320 0.001 0.000 0.200 392 K C 1.620 178.254 176.600 0.056 0.000 1.050 392 K CA 0.705 57.007 56.287 0.025 0.000 0.981 392 K CB 0.205 32.706 32.500 0.001 0.000 0.795 392 K HN 0.338 nan 8.250 nan 0.000 0.477 393 L N 0.385 121.637 121.223 0.048 0.000 2.529 393 L HA 0.147 4.487 4.340 0.001 0.000 0.223 393 L C 2.350 179.302 176.870 0.137 0.000 1.113 393 L CA 0.152 55.048 54.840 0.093 0.000 0.861 393 L CB 0.019 42.082 42.059 0.007 0.000 1.012 393 L HN 0.040 nan 8.230 nan 0.000 0.461 394 R N 0.845 121.393 120.500 0.079 0.000 2.093 394 R HA -0.099 4.241 4.340 0.001 0.000 0.224 394 R C 1.930 178.262 176.300 0.053 0.000 1.101 394 R CA 1.151 57.286 56.100 0.058 0.000 0.979 394 R CB 0.102 30.423 30.300 0.035 0.000 0.877 394 R HN 0.404 nan 8.270 nan 0.000 0.441 395 E N -0.685 119.553 120.200 0.064 0.000 2.274 395 E HA -0.223 4.127 4.350 0.001 0.000 0.194 395 E C 1.491 178.129 176.600 0.063 0.000 0.996 395 E CA 0.784 57.215 56.400 0.052 0.000 0.840 395 E CB -0.306 29.415 29.700 0.034 0.000 0.772 395 E HN 0.418 nan 8.360 nan 0.000 0.491 396 Y N 2.520 122.813 120.300 -0.011 0.000 2.097 396 Y HA -0.277 4.273 4.550 0.001 0.000 0.282 396 Y C 2.478 178.372 175.900 -0.011 0.000 1.152 396 Y CA 1.525 59.615 58.100 -0.015 0.000 1.136 396 Y CB -0.549 37.896 38.460 -0.025 0.000 0.975 396 Y HN 0.037 nan 8.280 nan 0.000 0.498 397 A N 0.934 123.682 122.820 -0.120 0.000 1.879 397 A HA -0.362 3.959 4.320 0.001 0.000 0.222 397 A C 1.961 179.448 177.584 -0.162 0.000 1.368 397 A CA 2.568 54.527 52.037 -0.130 0.000 0.707 397 A CB -1.235 17.755 19.000 -0.016 0.000 0.846 397 A HN 0.682 nan 8.150 nan 0.000 0.468 398 E N -0.360 119.781 120.200 -0.097 0.000 2.510 398 E HA -0.020 4.330 4.350 0.001 0.000 0.202 398 E C 1.754 178.294 176.600 -0.100 0.000 1.072 398 E CA 0.350 56.703 56.400 -0.079 0.000 0.883 398 E CB -0.343 29.333 29.700 -0.040 0.000 0.818 398 E HN 0.674 nan 8.360 nan 0.000 0.548 399 G N 2.034 110.731 108.800 -0.173 0.000 2.408 399 G HA2 -0.157 3.803 3.960 0.001 0.000 0.213 399 G HA3 -0.157 3.803 3.960 0.001 0.000 0.213 399 G C 1.711 176.482 174.900 -0.216 0.000 1.177 399 G CA 0.397 45.377 45.100 -0.200 0.000 0.802 399 G HN 0.308 nan 8.290 nan 0.000 0.533 400 I N -1.369 119.019 120.570 -0.304 0.000 2.480 400 I HA 0.179 4.349 4.170 0.001 0.000 0.251 400 I C 1.092 177.135 176.117 -0.123 0.000 1.124 400 I CA 0.829 61.988 61.300 -0.235 0.000 1.444 400 I CB -0.753 37.077 38.000 -0.284 0.000 1.098 400 I HN 0.290 nan 8.210 nan 0.000 0.428 401 S N 0.658 116.301 115.700 -0.095 0.000 3.278 401 S HA 0.171 4.641 4.470 0.001 0.000 0.857 401 S C -0.057 174.524 174.600 -0.032 0.000 1.108 401 S CA 0.661 58.829 58.200 -0.053 0.000 1.109 401 S CB -1.348 61.828 63.200 -0.040 0.000 0.774 401 S HN 2.291 nan 8.310 nan 0.000 0.261 402 G N 4.871 113.660 108.800 -0.018 0.000 2.396 402 G HA2 0.135 4.095 3.960 0.001 0.000 0.254 402 G HA3 0.135 4.095 3.960 0.001 0.000 0.254 402 G C 0.190 175.092 174.900 0.004 0.000 1.248 402 G CA 0.687 45.784 45.100 -0.006 0.000 1.033 402 G HN 2.126 nan 8.290 nan 0.000 0.502 403 R N -0.327 120.179 120.500 0.009 0.000 2.191 403 R HA -0.220 4.120 4.340 0.001 0.000 0.248 403 R C 1.778 178.095 176.300 0.029 0.000 1.127 403 R CA 2.846 58.955 56.100 0.014 0.000 0.943 403 R CB -0.810 29.498 30.300 0.013 0.000 0.891 403 R HN 0.472 nan 8.270 nan 0.000 0.439 404 E N 0.655 120.872 120.200 0.028 0.000 2.338 404 E HA -0.163 4.188 4.350 0.001 0.000 0.197 404 E C 1.894 178.528 176.600 0.056 0.000 1.007 404 E CA 1.155 57.585 56.400 0.051 0.000 0.849 404 E CB -0.357 29.369 29.700 0.044 0.000 0.774 404 E HN 0.635 nan 8.360 nan 0.000 0.506 405 Q N 0.450 120.263 119.800 0.022 0.000 1.985 405 Q HA -0.206 4.135 4.340 0.001 0.000 0.207 405 Q C 1.589 177.623 176.000 0.057 0.000 0.996 405 Q CA 1.779 57.590 55.803 0.012 0.000 0.851 405 Q CB -0.103 28.635 28.738 -0.000 0.000 0.921 405 Q HN 0.347 nan 8.270 nan 0.000 0.418 406 L N 0.028 121.296 121.223 0.074 0.000 2.478 406 L HA 0.101 4.441 4.340 0.001 0.000 0.223 406 L C 2.143 179.123 176.870 0.183 0.000 1.140 406 L CA 0.754 55.651 54.840 0.095 0.000 0.842 406 L CB -0.486 41.612 42.059 0.065 0.000 0.953 406 L HN 0.205 nan 8.230 nan 0.000 0.452 407 A N 0.790 123.768 122.820 0.264 0.000 1.832 407 A HA -0.105 4.216 4.320 0.001 0.000 0.214 407 A C 2.382 180.164 177.584 0.330 0.000 1.204 407 A CA 1.775 54.194 52.037 0.638 0.000 0.606 407 A CB -1.095 18.251 19.000 0.577 0.000 0.849 407 A HN 0.209 nan 8.150 nan 0.000 0.445 408 V N -0.964 119.061 119.914 0.185 0.000 2.380 408 V HA -0.308 3.813 4.120 0.001 0.000 0.251 408 V C 2.228 178.360 176.094 0.063 0.000 1.063 408 V CA 2.322 64.670 62.300 0.080 0.000 1.055 408 V CB -1.154 30.759 31.823 0.150 0.000 0.657 408 V HN 0.529 nan 8.190 nan 0.000 0.455 409 R N 1.327 121.872 120.500 0.076 0.000 2.075 409 R HA 0.014 4.355 4.340 0.001 0.000 0.230 409 R C 2.714 179.041 176.300 0.046 0.000 1.140 409 R CA 1.723 57.857 56.100 0.058 0.000 0.928 409 R CB -1.110 29.222 30.300 0.054 0.000 0.834 409 R HN 0.570 nan 8.270 nan 0.000 0.429 410 A N 0.716 123.573 122.820 0.062 0.000 1.958 410 A HA -0.227 4.094 4.320 0.001 0.000 0.221 410 A C 1.928 179.491 177.584 -0.035 0.000 1.178 410 A CA 1.513 53.575 52.037 0.042 0.000 0.642 410 A CB -0.624 18.467 19.000 0.151 0.000 0.816 410 A HN 0.407 nan 8.150 nan 0.000 0.453 411 F N -0.142 119.615 119.950 -0.323 0.000 2.743 411 F HA 0.340 4.867 4.527 0.001 0.000 0.297 411 F C 2.217 177.902 175.800 -0.192 0.000 1.131 411 F CA 0.149 57.919 58.000 -0.383 0.000 1.426 411 F CB -0.228 38.387 39.000 -0.641 0.000 1.116 411 F HN 0.239 nan 8.300 nan 0.000 0.583 412 A N -0.440 122.437 122.820 0.095 0.000 1.874 412 A HA -0.087 4.234 4.320 0.001 0.000 0.214 412 A C 1.952 179.540 177.584 0.006 0.000 1.189 412 A CA 1.567 53.640 52.037 0.059 0.000 0.615 412 A CB -0.806 18.219 19.000 0.042 0.000 0.830 412 A HN 0.239 nan 8.150 nan 0.000 0.443 413 D N -0.153 120.246 120.400 -0.001 0.000 2.264 413 D HA 0.066 4.707 4.640 0.001 0.000 0.208 413 D C 1.991 178.263 176.300 -0.046 0.000 0.966 413 D CA 1.074 55.064 54.000 -0.017 0.000 0.864 413 D CB -0.042 40.755 40.800 -0.004 0.000 0.933 413 D HN 0.377 nan 8.370 nan 0.000 0.499 414 A N 0.151 122.920 122.820 -0.086 0.000 1.970 414 A HA -0.071 4.250 4.320 0.001 0.000 0.216 414 A C 2.136 179.634 177.584 -0.144 0.000 1.170 414 A CA 0.797 52.748 52.037 -0.143 0.000 0.645 414 A CB -0.625 18.300 19.000 -0.124 0.000 0.816 414 A HN 0.317 nan 8.150 nan 0.000 0.447 415 L N -0.670 120.485 121.223 -0.114 0.000 2.123 415 L HA -0.266 4.075 4.340 0.001 0.000 0.217 415 L C 2.070 178.901 176.870 -0.065 0.000 1.081 415 L CA 2.483 57.277 54.840 -0.076 0.000 0.772 415 L CB -1.137 40.894 42.059 -0.047 0.000 0.890 415 L HN 0.443 nan 8.230 nan 0.000 0.437 416 E N 0.362 120.529 120.200 -0.056 0.000 2.274 416 E HA -0.123 4.227 4.350 0.001 0.000 0.194 416 E C 2.205 178.776 176.600 -0.048 0.000 0.996 416 E CA 1.161 57.534 56.400 -0.046 0.000 0.840 416 E CB -0.009 29.670 29.700 -0.035 0.000 0.772 416 E HN 0.511 nan 8.360 nan 0.000 0.491 417 V N -0.155 119.723 119.914 -0.059 0.000 2.242 417 V HA -0.353 3.767 4.120 0.001 0.000 0.257 417 V C 2.006 178.069 176.094 -0.052 0.000 1.073 417 V CA 1.891 64.156 62.300 -0.059 0.000 1.058 417 V CB -0.738 31.053 31.823 -0.053 0.000 0.664 417 V HN 0.199 nan 8.190 nan 0.000 0.451 418 I N 0.430 120.968 120.570 -0.054 0.000 2.494 418 I HA 0.102 4.273 4.170 0.001 0.000 0.250 418 I C -0.185 175.906 176.117 -0.045 0.000 1.112 418 I CA 0.190 61.461 61.300 -0.049 0.000 1.438 418 I CB -1.718 36.252 38.000 -0.050 0.000 1.111 418 I HN 0.318 nan 8.210 nan 0.000 0.431 419 P HA -0.139 nan 4.420 nan 0.000 0.221 419 P C 1.702 178.980 177.300 -0.036 0.000 1.145 419 P CA 1.300 64.377 63.100 -0.038 0.000 0.795 419 P CB 0.134 31.814 31.700 -0.034 0.000 0.775 420 R N -0.404 120.074 120.500 -0.036 0.000 2.054 420 R HA -0.084 4.257 4.340 0.001 0.000 0.223 420 R C 2.368 178.648 176.300 -0.034 0.000 1.176 420 R CA 2.217 58.298 56.100 -0.032 0.000 0.934 420 R CB -1.453 28.829 30.300 -0.030 0.000 0.828 420 R HN 0.092 nan 8.270 nan 0.000 0.441 421 T N 0.466 114.999 114.554 -0.036 0.000 2.572 421 T HA -0.308 4.043 4.350 0.001 0.000 0.258 421 T C 1.855 176.532 174.700 -0.037 0.000 1.154 421 T CA 2.468 64.547 62.100 -0.035 0.000 1.157 421 T CB -0.792 68.054 68.868 -0.036 0.000 0.856 421 T HN 0.302 nan 8.240 nan 0.000 0.443 422 L N 1.048 122.245 121.223 -0.043 0.000 2.263 422 L HA -0.038 4.302 4.340 0.001 0.000 0.216 422 L C 3.204 180.040 176.870 -0.056 0.000 1.111 422 L CA 1.298 56.106 54.840 -0.053 0.000 0.773 422 L CB -0.652 41.371 42.059 -0.060 0.000 0.906 422 L HN 0.590 nan 8.230 nan 0.000 0.439 423 A N -0.795 121.997 122.820 -0.047 0.000 1.898 423 A HA -0.157 4.163 4.320 0.001 0.000 0.214 423 A C 2.217 179.782 177.584 -0.032 0.000 1.183 423 A CA 1.136 53.148 52.037 -0.041 0.000 0.622 423 A CB -0.260 18.721 19.000 -0.031 0.000 0.824 423 A HN 0.391 nan 8.150 nan 0.000 0.444 424 E N 0.204 120.387 120.200 -0.030 0.000 2.106 424 E HA -0.161 4.189 4.350 0.001 0.000 0.192 424 E C 1.620 178.205 176.600 -0.024 0.000 0.984 424 E CA 0.824 57.210 56.400 -0.024 0.000 0.806 424 E CB -0.174 29.512 29.700 -0.023 0.000 0.750 424 E HN 0.574 nan 8.360 nan 0.000 0.458 425 N N 1.319 120.001 118.700 -0.030 0.000 2.055 425 N HA -0.265 4.476 4.740 0.001 0.000 0.200 425 N C 1.873 177.367 175.510 -0.026 0.000 1.037 425 N CA 1.801 54.833 53.050 -0.030 0.000 0.881 425 N CB -0.616 37.850 38.487 -0.035 0.000 1.075 425 N HN 0.129 nan 8.380 nan 0.000 0.470 426 A N 0.010 122.808 122.820 -0.036 0.000 2.076 426 A HA 0.138 4.459 4.320 0.001 0.000 0.220 426 A C 1.768 179.343 177.584 -0.015 0.000 1.160 426 A CA 1.958 53.977 52.037 -0.029 0.000 0.653 426 A CB -0.669 18.300 19.000 -0.052 0.000 0.801 426 A HN 0.620 nan 8.150 nan 0.000 0.455 427 G N -2.837 105.954 108.800 -0.016 0.000 2.176 427 G HA2 -0.153 3.807 3.960 0.001 0.000 0.232 427 G HA3 -0.153 3.807 3.960 0.001 0.000 0.232 427 G C -0.026 174.869 174.900 -0.008 0.000 0.986 427 G CA 0.063 45.157 45.100 -0.010 0.000 0.643 427 G HN 0.363 nan 8.290 nan 0.000 0.522 428 L N 1.456 122.672 121.223 -0.011 0.000 2.516 428 L HA 0.317 4.658 4.340 0.001 0.000 0.288 428 L C 0.781 177.645 176.870 -0.011 0.000 1.246 428 L CA -0.173 54.661 54.840 -0.011 0.000 0.844 428 L CB 0.372 42.424 42.059 -0.013 0.000 1.106 428 L HN 0.228 nan 8.230 nan 0.000 0.509 429 D N 0.757 121.152 120.400 -0.008 0.000 2.308 429 D HA 0.268 4.908 4.640 0.001 0.000 0.251 429 D C 0.534 176.828 176.300 -0.009 0.000 1.127 429 D CA 0.377 54.372 54.000 -0.008 0.000 0.876 429 D CB 1.758 42.555 40.800 -0.005 0.000 1.176 429 D HN 0.605 nan 8.370 nan 0.000 0.446 430 A N 5.132 127.945 122.820 -0.011 0.000 1.832 430 A HA -0.159 4.161 4.320 0.001 0.000 0.214 430 A C 2.285 179.864 177.584 -0.009 0.000 1.200 430 A CA 0.972 53.002 52.037 -0.012 0.000 0.610 430 A CB -0.770 18.220 19.000 -0.016 0.000 0.842 430 A HN 0.796 nan 8.150 nan 0.000 0.444 431 I N -0.553 120.013 120.570 -0.007 0.000 2.185 431 I HA -0.309 3.861 4.170 0.001 0.000 0.246 431 I C 1.983 178.098 176.117 -0.002 0.000 1.088 431 I CA 2.651 63.948 61.300 -0.004 0.000 1.347 431 I CB -0.416 37.581 38.000 -0.003 0.000 1.041 431 I HN 0.500 nan 8.210 nan 0.000 0.415 432 E N 0.568 120.766 120.200 -0.002 0.000 2.170 432 E HA -0.059 4.291 4.350 0.001 0.000 0.191 432 E C 2.326 178.926 176.600 0.001 0.000 0.981 432 E CA 0.747 57.147 56.400 0.000 0.000 0.830 432 E CB 0.151 29.851 29.700 0.001 0.000 0.775 432 E HN 0.584 nan 8.360 nan 0.000 0.470 433 I N 1.297 121.866 120.570 -0.001 0.000 2.286 433 I HA -0.248 3.922 4.170 0.001 0.000 0.248 433 I C 2.243 178.362 176.117 0.003 0.000 1.115 433 I CA 0.741 62.041 61.300 -0.000 0.000 1.392 433 I CB -0.454 37.543 38.000 -0.006 0.000 1.065 433 I HN 0.203 nan 8.210 nan 0.000 0.418 434 L N 0.666 121.888 121.223 -0.000 0.000 2.051 434 L HA -0.208 4.132 4.340 0.001 0.000 0.214 434 L C 2.561 179.436 176.870 0.008 0.000 1.076 434 L CA 1.804 56.645 54.840 0.002 0.000 0.758 434 L CB -1.257 40.800 42.059 -0.004 0.000 0.890 434 L HN 0.168 nan 8.230 nan 0.000 0.433 435 V N -1.007 118.911 119.914 0.007 0.000 2.951 435 V HA -0.134 3.987 4.120 0.001 0.000 0.255 435 V C 2.333 178.436 176.094 0.014 0.000 1.088 435 V CA 0.768 63.074 62.300 0.010 0.000 1.109 435 V CB -0.482 31.345 31.823 0.007 0.000 0.724 435 V HN 0.429 nan 8.190 nan 0.000 0.471 436 K N 0.357 120.765 120.400 0.013 0.000 2.057 436 K HA -0.065 4.255 4.320 0.001 0.000 0.206 436 K C 2.082 178.698 176.600 0.026 0.000 1.050 436 K CA 1.243 57.539 56.287 0.016 0.000 0.935 436 K CB -0.324 32.183 32.500 0.012 0.000 0.715 436 K HN 0.322 nan 8.250 nan 0.000 0.439 437 V N 1.282 121.217 119.914 0.035 0.000 2.407 437 V HA -0.125 3.995 4.120 0.001 0.000 0.245 437 V C 2.319 178.470 176.094 0.096 0.000 1.041 437 V CA 1.302 63.643 62.300 0.069 0.000 1.040 437 V CB -0.380 31.480 31.823 0.061 0.000 0.671 437 V HN 0.242 nan 8.190 nan 0.000 0.455 438 R N 0.070 120.607 120.500 0.062 0.000 2.073 438 R HA -0.120 4.220 4.340 0.001 0.000 0.234 438 R C 2.337 178.676 176.300 0.065 0.000 1.134 438 R CA 1.613 57.747 56.100 0.056 0.000 0.952 438 R CB -0.513 29.804 30.300 0.028 0.000 0.850 438 R HN 0.509 nan 8.270 nan 0.000 0.433 439 A N 0.254 123.101 122.820 0.045 0.000 2.067 439 A HA -0.008 4.313 4.320 0.001 0.000 0.219 439 A C 2.068 179.673 177.584 0.035 0.000 1.158 439 A CA 1.490 53.548 52.037 0.035 0.000 0.661 439 A CB -0.206 18.808 19.000 0.023 0.000 0.801 439 A HN 0.432 nan 8.150 nan 0.000 0.452 440 A N -1.771 121.072 122.820 0.037 0.000 2.030 440 A HA 0.097 4.418 4.320 0.001 0.000 0.215 440 A C 1.831 179.411 177.584 -0.005 0.000 1.164 440 A CA 1.198 53.236 52.037 0.000 0.000 0.697 440 A CB -0.590 18.397 19.000 -0.021 0.000 0.827 440 A HN 0.644 nan 8.150 nan 0.000 0.457 441 H N -0.228 118.842 119.070 -0.000 0.000 2.276 441 H HA 0.029 4.586 4.556 0.001 0.000 0.301 441 H C 2.356 177.684 175.328 0.001 0.000 1.073 441 H CA 1.653 57.701 56.048 -0.000 0.000 1.311 441 H CB 0.015 29.776 29.762 -0.001 0.000 1.379 441 H HN 0.460 nan 8.280 nan 0.000 0.494 442 A N -0.497 122.409 122.820 0.145 0.000 2.131 442 A HA -0.165 4.155 4.320 0.001 0.000 0.220 442 A C 2.111 179.723 177.584 0.046 0.000 1.158 442 A CA 1.941 54.027 52.037 0.081 0.000 0.665 442 A CB -0.246 18.788 19.000 0.056 0.000 0.795 442 A HN 0.455 nan 8.150 nan 0.000 0.460 443 S N -1.456 114.261 115.700 0.028 0.000 2.527 443 S HA 0.061 4.531 4.470 0.001 0.000 0.227 443 S C 1.486 176.078 174.600 -0.013 0.000 1.059 443 S CA 0.572 58.776 58.200 0.006 0.000 0.919 443 S CB -0.071 63.132 63.200 0.005 0.000 0.805 443 S HN 0.724 nan 8.310 nan 0.000 0.500 444 N N 0.448 119.123 118.700 -0.041 0.000 2.508 444 N HA 0.456 5.196 4.740 0.001 0.000 0.186 444 N C 0.789 176.258 175.510 -0.069 0.000 1.034 444 N CA 0.625 53.636 53.050 -0.066 0.000 0.885 444 N CB 0.687 39.107 38.487 -0.111 0.000 1.135 444 N HN 0.433 nan 8.380 nan 0.000 0.435 445 G N 0.264 109.000 108.800 -0.108 0.000 2.280 445 G HA2 -0.220 3.740 3.960 0.001 0.000 0.277 445 G HA3 -0.220 3.740 3.960 0.001 0.000 0.277 445 G C -0.467 174.403 174.900 -0.050 0.000 1.288 445 G CA 0.026 45.121 45.100 -0.009 0.000 1.075 445 G HN 0.318 nan 8.290 nan 0.000 0.480 446 N N 0.888 119.624 118.700 0.059 0.000 2.106 446 N HA -0.065 4.676 4.740 0.001 0.000 0.188 446 N C 1.900 177.526 175.510 0.193 0.000 1.029 446 N CA 2.261 55.413 53.050 0.169 0.000 0.848 446 N CB -0.357 38.184 38.487 0.089 0.000 1.007 446 N HN 0.829 nan 8.380 nan 0.000 0.423 447 K N -0.219 120.211 120.400 0.050 0.000 2.005 447 K HA 0.052 4.373 4.320 0.001 0.000 0.206 447 K C 0.397 176.985 176.600 -0.020 0.000 1.044 447 K CA 0.741 57.045 56.287 0.028 0.000 0.942 447 K CB -0.757 31.744 32.500 0.003 0.000 0.727 447 K HN 0.220 nan 8.250 nan 0.000 0.439 448 C N 1.569 120.796 119.300 -0.122 0.000 2.281 448 C HA 0.654 5.114 4.460 0.001 0.000 0.336 448 C C 0.368 175.112 174.990 -0.410 0.000 1.217 448 C CA 0.282 59.196 59.018 -0.174 0.000 1.730 448 C CB -1.003 26.674 27.740 -0.105 0.000 2.338 448 C HN 0.597 nan 8.230 nan 0.000 0.521 449 A N 4.433 127.085 122.820 -0.281 0.000 2.396 449 A HA 0.256 4.577 4.320 0.001 0.000 0.221 449 A C 0.246 177.910 177.584 0.134 0.000 2.871 449 A CA 0.219 52.136 52.037 -0.199 0.000 1.678 449 A CB -1.603 17.296 19.000 -0.168 0.000 0.173 449 A HN 1.444 nan 8.150 nan 0.000 0.637 450 G N -0.618 108.219 108.800 0.061 0.000 2.522 450 G HA2 0.620 4.581 3.960 0.001 0.000 0.304 450 G HA3 0.620 4.581 3.960 0.001 0.000 0.304 450 G C -0.315 174.605 174.900 0.032 0.000 1.210 450 G CA -0.674 44.462 45.100 0.060 0.000 0.960 450 G HN 0.653 nan 8.290 nan 0.000 0.497 451 L N 1.044 122.270 121.223 0.006 0.000 2.599 451 L HA 0.287 4.627 4.340 0.001 0.000 0.241 451 L C 0.168 177.004 176.870 -0.057 0.000 1.207 451 L CA -0.892 53.936 54.840 -0.020 0.000 0.987 451 L CB 0.407 42.455 42.059 -0.019 0.000 1.318 451 L HN 0.446 nan 8.230 nan 0.000 0.458 452 N N 0.597 119.270 118.700 -0.045 0.000 2.427 452 N HA 0.021 4.761 4.740 0.001 0.000 0.269 452 N C 1.422 176.859 175.510 -0.123 0.000 1.235 452 N CA 0.071 53.075 53.050 -0.076 0.000 0.934 452 N CB 1.241 39.744 38.487 0.027 0.000 1.121 452 N HN 0.348 nan 8.380 nan 0.000 0.480 453 V N 2.609 122.351 119.914 -0.286 0.000 2.546 453 V HA -0.194 3.927 4.120 0.001 0.000 0.254 453 V C 1.305 177.265 176.094 -0.223 0.000 1.076 453 V CA 1.495 63.594 62.300 -0.334 0.000 1.087 453 V CB -1.042 30.401 31.823 -0.633 0.000 0.674 453 V HN 0.459 nan 8.190 nan 0.000 0.470 454 F N 1.090 121.040 119.950 0.000 0.000 2.164 454 F HA 0.135 4.663 4.527 0.001 0.000 0.287 454 F C 2.744 178.544 175.800 -0.000 0.000 1.086 454 F CA 1.834 59.834 58.000 -0.000 0.000 1.249 454 F CB -1.275 37.725 39.000 -0.000 0.000 1.059 454 F HN 0.036 nan 8.300 nan 0.000 0.490 455 T N -1.506 113.170 114.554 0.202 0.000 2.937 455 T HA 0.259 4.610 4.350 0.001 0.000 0.260 455 T C 0.906 175.640 174.700 0.056 0.000 1.051 455 T CA 1.216 63.378 62.100 0.104 0.000 1.141 455 T CB -0.518 68.398 68.868 0.080 0.000 0.879 455 T HN 0.449 nan 8.240 nan 0.000 0.459 456 G N 1.068 109.891 108.800 0.039 0.000 3.026 456 G HA2 0.385 4.345 3.960 0.001 0.000 0.252 456 G HA3 0.385 4.345 3.960 0.001 0.000 0.252 456 G C -0.187 174.720 174.900 0.011 0.000 1.070 456 G CA -0.390 44.718 45.100 0.012 0.000 1.183 456 G HN 0.887 nan 8.290 nan 0.000 0.571 457 A N -0.818 122.007 122.820 0.008 0.000 2.361 457 A HA 0.950 5.270 4.320 0.001 0.000 0.297 457 A C -0.359 177.230 177.584 0.009 0.000 1.036 457 A CA 0.203 52.245 52.037 0.009 0.000 0.589 457 A CB 0.699 19.709 19.000 0.015 0.000 1.418 457 A HN 2.048 nan 8.150 nan 0.000 0.539 458 V N 0.034 119.953 119.914 0.009 0.000 2.607 458 V HA 0.732 4.852 4.120 0.001 0.000 0.289 458 V C -0.161 175.935 176.094 0.004 0.000 1.053 458 V CA 0.340 62.645 62.300 0.009 0.000 0.996 458 V CB 1.333 33.162 31.823 0.010 0.000 0.995 458 V HN 1.143 nan 8.190 nan 0.000 0.476 459 E N 3.456 123.658 120.200 0.003 0.000 2.314 459 E HA 0.307 4.658 4.350 0.001 0.000 0.272 459 E C -1.091 175.502 176.600 -0.012 0.000 0.884 459 E CA -0.679 55.724 56.400 0.003 0.000 0.753 459 E CB 1.606 31.317 29.700 0.018 0.000 1.213 459 E HN 0.797 nan 8.360 nan 0.000 0.432 460 D N 4.911 125.300 120.400 -0.017 0.000 2.518 460 D HA -0.097 4.543 4.640 0.001 0.000 0.270 460 D C 1.063 177.364 176.300 0.001 0.000 1.338 460 D CA 0.675 54.664 54.000 -0.018 0.000 0.983 460 D CB 0.396 41.185 40.800 -0.017 0.000 1.126 460 D HN 0.561 nan 8.370 nan 0.000 0.543 461 M N 2.239 121.841 119.600 0.003 0.000 2.115 461 M HA -0.295 4.186 4.480 0.001 0.000 0.258 461 M C 2.501 178.812 176.300 0.018 0.000 1.071 461 M CA 1.435 56.745 55.300 0.018 0.000 1.100 461 M CB -0.941 31.676 32.600 0.029 0.000 1.292 461 M HN 0.501 nan 8.290 nan 0.000 0.415 462 C N 1.140 120.447 119.300 0.012 0.000 2.375 462 C HA -0.212 4.249 4.460 0.001 0.000 0.274 462 C C 2.599 177.593 174.990 0.007 0.000 1.190 462 C CA 1.948 60.971 59.018 0.008 0.000 1.775 462 C CB -1.438 26.305 27.740 0.005 0.000 2.067 462 C HN 0.663 nan 8.230 nan 0.000 0.463 463 E N 1.341 121.543 120.200 0.004 0.000 2.150 463 E HA -0.188 4.162 4.350 0.001 0.000 0.193 463 E C 1.695 178.301 176.600 0.009 0.000 0.985 463 E CA 1.627 58.029 56.400 0.003 0.000 0.814 463 E CB -0.818 28.882 29.700 0.000 0.000 0.752 463 E HN 0.840 nan 8.360 nan 0.000 0.466 464 N N -0.218 118.492 118.700 0.016 0.000 2.424 464 N HA -0.039 4.701 4.740 0.001 0.000 0.178 464 N C 1.228 176.753 175.510 0.024 0.000 1.060 464 N CA 0.924 53.988 53.050 0.024 0.000 0.901 464 N CB 0.427 38.938 38.487 0.039 0.000 0.979 464 N HN 0.317 nan 8.380 nan 0.000 0.451 465 G N 0.519 109.331 108.800 0.020 0.000 2.491 465 G HA2 -0.261 3.700 3.960 0.001 0.000 0.203 465 G HA3 -0.261 3.700 3.960 0.001 0.000 0.203 465 G C 0.292 175.205 174.900 0.022 0.000 1.052 465 G CA 0.087 45.198 45.100 0.019 0.000 0.675 465 G HN 0.450 nan 8.290 nan 0.000 0.504 466 V N 1.401 121.333 119.914 0.030 0.000 1.984 466 V HA 0.649 4.769 4.120 0.001 0.000 0.272 466 V C 0.682 176.792 176.094 0.026 0.000 1.706 466 V CA -0.296 62.023 62.300 0.033 0.000 1.644 466 V CB -0.327 31.525 31.823 0.048 0.000 1.509 466 V HN 0.787 nan 8.190 nan 0.000 0.511 467 V N 1.621 121.548 119.914 0.020 0.000 3.166 467 V HA 0.733 4.854 4.120 0.001 0.000 0.317 467 V C -0.040 176.062 176.094 0.014 0.000 1.136 467 V CA -1.000 61.311 62.300 0.018 0.000 1.035 467 V CB 1.915 33.749 31.823 0.018 0.000 1.110 467 V HN 0.770 nan 8.190 nan 0.000 0.450 468 E N 0.402 120.609 120.200 0.011 0.000 2.336 468 E HA 0.606 4.957 4.350 0.001 0.000 0.267 468 E C -3.035 173.569 176.600 0.006 0.000 0.906 468 E CA -2.368 54.037 56.400 0.007 0.000 0.781 468 E CB 1.670 31.372 29.700 0.004 0.000 1.261 468 E HN 0.438 nan 8.360 nan 0.000 0.436 469 P HA -0.041 nan 4.420 nan 0.000 0.271 469 P C 0.037 177.339 177.300 0.002 0.000 1.238 469 P CA -0.263 62.838 63.100 0.003 0.000 0.794 469 P CB 0.773 32.474 31.700 0.001 0.000 0.959 470 L N -0.283 120.940 121.223 0.001 0.000 2.693 470 L HA 0.198 4.539 4.340 0.001 0.000 0.235 470 L C 2.091 178.960 176.870 -0.001 0.000 1.127 470 L CA 0.334 55.174 54.840 -0.000 0.000 0.914 470 L CB -0.020 42.039 42.059 0.000 0.000 1.193 470 L HN 0.290 nan 8.230 nan 0.000 0.502 471 R N -0.364 120.135 120.500 -0.001 0.000 2.052 471 R HA -0.079 4.262 4.340 0.001 0.000 0.226 471 R C 1.906 178.205 176.300 -0.001 0.000 1.145 471 R CA 1.718 57.817 56.100 -0.001 0.000 0.952 471 R CB -0.272 30.027 30.300 -0.001 0.000 0.847 471 R HN 0.024 nan 8.270 nan 0.000 0.431 472 V N 0.343 120.257 119.914 -0.001 0.000 0.750 472 V HA -0.543 3.578 4.120 0.001 0.000 0.094 472 V C 2.052 178.144 176.094 -0.003 0.000 1.079 472 V CA 2.706 65.004 62.300 -0.002 0.000 3.119 472 V CB -0.947 30.874 31.823 -0.002 0.000 0.411 472 V HN 0.391 nan 8.190 nan 0.000 0.336 473 K N -0.574 119.824 120.400 -0.003 0.000 2.168 473 K HA -0.011 4.310 4.320 0.001 0.000 0.201 473 K C 2.305 178.904 176.600 -0.001 0.000 1.049 473 K CA 1.576 57.860 56.287 -0.004 0.000 0.974 473 K CB -0.586 31.911 32.500 -0.005 0.000 0.792 473 K HN 0.936 nan 8.250 nan 0.000 0.463 474 T N 0.333 114.886 114.554 -0.002 0.000 2.594 474 T HA -0.282 4.069 4.350 0.001 0.000 0.266 474 T C 1.964 176.666 174.700 0.004 0.000 1.070 474 T CA 1.677 63.776 62.100 -0.001 0.000 1.166 474 T CB -0.330 68.536 68.868 -0.003 0.000 0.862 474 T HN -0.010 nan 8.240 nan 0.000 0.436 475 Q N 1.528 121.330 119.800 0.003 0.000 2.016 475 Q HA 0.290 4.631 4.340 0.001 0.000 0.200 475 Q C 2.735 178.739 176.000 0.007 0.000 0.978 475 Q CA 2.104 57.910 55.803 0.005 0.000 0.833 475 Q CB -1.300 27.439 28.738 0.002 0.000 0.895 475 Q HN 0.760 nan 8.270 nan 0.000 0.427 476 A N 0.202 123.024 122.820 0.004 0.000 2.019 476 A HA -0.128 4.193 4.320 0.001 0.000 0.219 476 A C 1.991 179.580 177.584 0.008 0.000 1.164 476 A CA 1.288 53.327 52.037 0.002 0.000 0.644 476 A CB -0.655 18.343 19.000 -0.004 0.000 0.805 476 A HN 0.409 nan 8.150 nan 0.000 0.449 477 I N -1.172 119.407 120.570 0.016 0.000 2.206 477 I HA -0.235 3.935 4.170 0.001 0.000 0.239 477 I C 2.680 178.829 176.117 0.054 0.000 1.078 477 I CA 1.319 62.640 61.300 0.036 0.000 1.367 477 I CB -1.160 36.867 38.000 0.046 0.000 1.078 477 I HN 0.370 nan 8.210 nan 0.000 0.413 478 Q N 1.430 121.254 119.800 0.040 0.000 2.002 478 Q HA -0.204 4.136 4.340 0.001 0.000 0.204 478 Q C 2.430 178.455 176.000 0.042 0.000 0.988 478 Q CA 2.467 58.294 55.803 0.040 0.000 0.843 478 Q CB -0.394 28.357 28.738 0.021 0.000 0.908 478 Q HN 0.592 nan 8.270 nan 0.000 0.420 479 S N 0.460 116.178 115.700 0.029 0.000 2.400 479 S HA -0.285 4.185 4.470 0.001 0.000 0.234 479 S C 1.928 176.545 174.600 0.028 0.000 1.049 479 S CA 1.468 59.682 58.200 0.023 0.000 1.039 479 S CB -0.357 62.853 63.200 0.017 0.000 0.856 479 S HN 0.428 nan 8.310 nan 0.000 0.465 480 A N 0.618 123.457 122.820 0.032 0.000 2.014 480 A HA 0.759 5.079 4.320 0.001 0.000 0.210 480 A C 2.331 179.940 177.584 0.042 0.000 1.188 480 A CA 0.825 52.876 52.037 0.024 0.000 0.731 480 A CB -0.821 18.183 19.000 0.006 0.000 0.858 480 A HN 0.882 nan 8.150 nan 0.000 0.464 481 A N 0.149 123.020 122.820 0.086 0.000 2.030 481 A HA 0.042 4.363 4.320 0.001 0.000 0.215 481 A C 1.715 179.404 177.584 0.174 0.000 1.164 481 A CA 1.050 53.189 52.037 0.169 0.000 0.697 481 A CB -0.228 18.955 19.000 0.305 0.000 0.827 481 A HN 0.491 nan 8.150 nan 0.000 0.457 482 E N -0.215 120.051 120.200 0.110 0.000 2.371 482 E HA -0.021 4.330 4.350 0.001 0.000 0.194 482 E C 1.758 178.396 176.600 0.063 0.000 1.012 482 E CA 0.698 57.148 56.400 0.083 0.000 0.860 482 E CB -0.075 29.661 29.700 0.060 0.000 0.811 482 E HN 0.466 nan 8.360 nan 0.000 0.502 483 S N 0.931 116.663 115.700 0.054 0.000 2.357 483 S HA -0.095 4.375 4.470 0.001 0.000 0.221 483 S C 2.248 176.872 174.600 0.040 0.000 1.031 483 S CA 1.735 59.958 58.200 0.038 0.000 0.982 483 S CB -0.078 63.139 63.200 0.027 0.000 0.853 483 S HN 0.487 nan 8.310 nan 0.000 0.458 484 T N 0.234 114.816 114.554 0.048 0.000 3.088 484 T HA 0.076 4.426 4.350 0.001 0.000 0.259 484 T C 1.421 176.161 174.700 0.067 0.000 1.122 484 T CA 0.987 63.114 62.100 0.046 0.000 1.095 484 T CB -0.208 68.675 68.868 0.025 0.000 0.930 484 T HN 0.704 nan 8.240 nan 0.000 0.508 485 E N 1.039 121.294 120.200 0.092 0.000 2.340 485 E HA 0.062 4.413 4.350 0.001 0.000 0.194 485 E C 2.236 178.863 176.600 0.045 0.000 0.996 485 E CA 0.071 56.524 56.400 0.089 0.000 0.869 485 E CB -0.360 29.427 29.700 0.146 0.000 0.835 485 E HN 0.553 nan 8.360 nan 0.000 0.493 486 M N 0.981 120.606 119.600 0.041 0.000 2.084 486 M HA -0.175 4.306 4.480 0.001 0.000 0.259 486 M C 1.871 178.184 176.300 0.021 0.000 1.072 486 M CA 1.441 56.757 55.300 0.026 0.000 1.107 486 M CB -0.309 32.307 32.600 0.025 0.000 1.299 486 M HN 0.284 nan 8.290 nan 0.000 0.413 487 L N 1.220 122.459 121.223 0.026 0.000 2.103 487 L HA -0.198 4.143 4.340 0.001 0.000 0.215 487 L C 2.389 179.270 176.870 0.018 0.000 1.080 487 L CA 1.718 56.573 54.840 0.025 0.000 0.764 487 L CB -1.053 41.023 42.059 0.028 0.000 0.890 487 L HN 0.548 nan 8.230 nan 0.000 0.435 488 L N -1.318 119.913 121.223 0.013 0.000 2.599 488 L HA -0.053 4.287 4.340 0.001 0.000 0.230 488 L C 2.205 179.057 176.870 -0.029 0.000 1.141 488 L CA 0.335 55.170 54.840 -0.007 0.000 0.877 488 L CB -0.238 41.813 42.059 -0.013 0.000 1.009 488 L HN 0.327 nan 8.230 nan 0.000 0.447 489 R N 0.350 120.839 120.500 -0.017 0.000 2.046 489 R HA 0.078 4.418 4.340 0.001 0.000 0.223 489 R C 0.788 177.083 176.300 -0.009 0.000 1.179 489 R CA 0.167 56.254 56.100 -0.021 0.000 0.952 489 R CB -0.496 29.794 30.300 -0.017 0.000 0.843 489 R HN 0.150 nan 8.270 nan 0.000 0.439 490 I N 4.340 124.914 120.570 0.007 0.000 3.467 490 I HA -0.215 3.956 4.170 0.001 0.000 0.340 490 I C 0.556 176.687 176.117 0.022 0.000 1.165 490 I CA 0.760 62.070 61.300 0.016 0.000 1.746 490 I CB -0.117 37.895 38.000 0.022 0.000 1.220 490 I HN 0.558 nan 8.210 nan 0.000 0.433 491 D N 4.904 125.321 120.400 0.028 0.000 2.540 491 D HA 0.091 4.732 4.640 0.001 0.000 0.229 491 D C -0.208 176.125 176.300 0.053 0.000 1.250 491 D CA -0.162 53.861 54.000 0.037 0.000 0.817 491 D CB 0.395 41.216 40.800 0.035 0.000 1.060 491 D HN 0.640 nan 8.370 nan 0.000 0.508 492 D N 0.243 120.673 120.400 0.051 0.000 2.354 492 D HA 0.170 4.810 4.640 0.001 0.000 0.230 492 D C -1.583 174.742 176.300 0.042 0.000 1.361 492 D CA -0.515 53.516 54.000 0.052 0.000 0.992 492 D CB 1.594 42.414 40.800 0.034 0.000 1.409 492 D HN -0.184 nan 8.370 nan 0.000 0.573 493 V N 5.129 125.080 119.914 0.062 0.000 2.318 493 V HA 0.427 4.547 4.120 0.001 0.000 0.271 493 V C 0.546 176.634 176.094 -0.010 0.000 1.030 493 V CA -0.512 61.809 62.300 0.035 0.000 0.844 493 V CB 0.768 32.644 31.823 0.087 0.000 1.015 493 V HN 0.531 nan 8.190 nan 0.000 0.460 494 I N 4.095 124.642 120.570 -0.037 0.000 2.385 494 I HA 0.697 4.867 4.170 0.001 0.000 0.294 494 I C 0.480 176.557 176.117 -0.067 0.000 0.988 494 I CA -0.224 61.033 61.300 -0.071 0.000 1.265 494 I CB 1.591 39.557 38.000 -0.056 0.000 1.388 494 I HN 0.637 nan 8.210 nan 0.000 0.480 495 A N 5.176 127.946 122.820 -0.084 0.000 2.330 495 A HA 0.896 5.217 4.320 0.001 0.000 0.313 495 A C -0.519 177.036 177.584 -0.049 0.000 1.124 495 A CA -0.415 51.586 52.037 -0.061 0.000 0.774 495 A CB 1.315 20.282 19.000 -0.055 0.000 1.198 495 A HN 0.810 nan 8.150 nan 0.000 0.465 496 A N 1.580 124.377 122.820 -0.038 0.000 2.387 496 A HA 0.821 5.141 4.320 0.001 0.000 0.298 496 A C 0.142 177.713 177.584 -0.021 0.000 1.165 496 A CA -0.331 51.690 52.037 -0.027 0.000 0.814 496 A CB 0.608 19.594 19.000 -0.024 0.000 1.357 496 A HN 1.128 nan 8.150 nan 0.000 0.443 497 E N 0.000 120.191 120.200 -0.014 0.000 2.725 497 E HA 0.000 4.351 4.350 0.001 0.000 0.291 497 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 497 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 497 E HN 0.000 nan 8.360 nan 0.000 0.440