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 3izl_1_A DATA FIRST_RESID 1 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 KATGANVIAA DATA SEQUENCE IAALSAQDLG 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.090 176.094 -0.006 0.000 1.182 1 V CA 0.000 62.296 62.300 -0.006 0.000 1.235 1 V CB 0.000 31.820 31.823 -0.006 0.000 1.184 2 L N 2.397 123.616 121.223 -0.008 0.000 2.325 2 L HA 0.580 4.921 4.340 0.000 0.000 0.279 2 L C -2.174 174.691 176.870 -0.008 0.000 1.054 2 L CA -1.553 53.282 54.840 -0.008 0.000 0.804 2 L CB 0.752 42.805 42.059 -0.010 0.000 1.200 2 L HN 0.140 nan 8.230 nan 0.000 0.436 3 P HA 0.020 nan 4.420 nan 0.000 0.266 3 P C -0.535 176.760 177.300 -0.009 0.000 1.195 3 P CA -0.255 62.841 63.100 -0.006 0.000 0.768 3 P CB 0.459 32.156 31.700 -0.005 0.000 0.838 4 E N 2.541 122.736 120.200 -0.009 0.000 2.376 4 E HA -0.040 4.310 4.350 0.000 0.000 0.266 4 E C 0.135 176.730 176.600 -0.009 0.000 1.009 4 E CA 0.092 56.486 56.400 -0.010 0.000 0.902 4 E CB 0.032 29.727 29.700 -0.009 0.000 0.972 4 E HN 0.374 nan 8.360 nan 0.000 0.439 5 N N 1.905 120.599 118.700 -0.010 0.000 2.990 5 N HA -0.189 4.552 4.740 0.000 0.000 0.163 5 N C -0.151 175.356 175.510 -0.004 0.000 1.452 5 N CA 0.736 53.782 53.050 -0.006 0.000 1.624 5 N CB -1.226 37.260 38.487 -0.002 0.000 1.088 5 N HN 0.590 nan 8.380 nan 0.000 0.695 6 M N 2.755 122.351 119.600 -0.007 0.000 2.249 6 M HA 0.063 4.543 4.480 0.000 0.000 0.340 6 M C 0.236 176.527 176.300 -0.015 0.000 1.166 6 M CA 0.481 55.778 55.300 -0.006 0.000 1.115 6 M CB 0.438 33.033 32.600 -0.007 0.000 1.606 6 M HN 0.108 nan 8.290 nan 0.000 0.448 7 K N 4.699 125.097 120.400 -0.003 0.000 2.259 7 K HA 0.685 5.005 4.320 0.000 0.000 0.249 7 K C -1.238 175.352 176.600 -0.017 0.000 0.942 7 K CA -1.053 55.221 56.287 -0.023 0.000 0.816 7 K CB 2.248 34.772 32.500 0.040 0.000 1.155 7 K HN 0.788 nan 8.250 nan 0.000 0.428 8 R N 2.260 122.686 120.500 -0.125 0.000 2.548 8 R HA 0.316 4.656 4.340 0.000 0.000 0.280 8 R C -1.813 174.338 176.300 -0.249 0.000 1.061 8 R CA -0.599 55.455 56.100 -0.077 0.000 0.915 8 R CB 1.327 31.592 30.300 -0.058 0.000 1.210 8 R HN 0.744 nan 8.270 nan 0.000 0.442 9 Y N 4.170 124.470 120.300 -0.001 0.000 2.485 9 Y HA 0.596 5.146 4.550 0.000 0.000 0.345 9 Y C 0.244 176.148 175.900 0.006 0.000 0.998 9 Y CA -0.861 57.244 58.100 0.008 0.000 1.059 9 Y CB 2.307 40.780 38.460 0.022 0.000 1.234 9 Y HN 0.426 nan 8.280 nan 0.000 0.461 10 M N 0.892 120.581 119.600 0.147 0.000 2.520 10 M HA 0.755 5.235 4.480 0.000 0.000 0.280 10 M C 0.019 176.358 176.300 0.065 0.000 1.232 10 M CA -0.215 55.132 55.300 0.079 0.000 0.892 10 M CB 1.272 33.893 32.600 0.036 0.000 1.728 10 M HN 0.874 nan 8.290 nan 0.000 0.475 11 G N 2.944 111.768 108.800 0.040 0.000 2.622 11 G HA2 -0.368 3.592 3.960 0.000 0.000 0.307 11 G HA3 -0.368 3.592 3.960 0.000 0.000 0.307 11 G C 0.614 175.531 174.900 0.029 0.000 1.226 11 G CA 1.196 46.309 45.100 0.021 0.000 0.997 11 G HN 1.169 nan 8.290 nan 0.000 0.551 12 R N 0.338 120.852 120.500 0.024 0.000 2.127 12 R HA -0.079 4.261 4.340 0.000 0.000 0.238 12 R C 2.126 178.453 176.300 0.046 0.000 1.134 12 R CA 2.215 58.330 56.100 0.024 0.000 0.975 12 R CB -0.391 29.919 30.300 0.017 0.000 0.865 12 R HN 0.613 nan 8.270 nan 0.000 0.447 13 D N -0.143 120.306 120.400 0.080 0.000 2.194 13 D HA -0.064 4.577 4.640 0.000 0.000 0.204 13 D C 1.669 178.056 176.300 0.145 0.000 0.964 13 D CA 1.203 55.286 54.000 0.139 0.000 0.846 13 D CB -0.024 40.905 40.800 0.215 0.000 0.962 13 D HN 0.360 nan 8.370 nan 0.000 0.490 14 A N 1.082 123.987 122.820 0.141 0.000 1.898 14 A HA -0.172 4.149 4.320 0.000 0.000 0.216 14 A C 2.143 179.755 177.584 0.047 0.000 1.181 14 A CA 1.123 53.225 52.037 0.108 0.000 0.620 14 A CB -0.276 18.790 19.000 0.110 0.000 0.819 14 A HN 0.062 nan 8.150 nan 0.000 0.442 15 Q N -0.889 118.932 119.800 0.035 0.000 2.123 15 Q HA -0.121 4.219 4.340 0.000 0.000 0.199 15 Q C 2.242 178.239 176.000 -0.006 0.000 0.966 15 Q CA 1.573 57.384 55.803 0.013 0.000 0.845 15 Q CB -0.318 28.424 28.738 0.007 0.000 0.907 15 Q HN 0.616 nan 8.270 nan 0.000 0.439 16 R N 1.126 121.624 120.500 -0.004 0.000 2.066 16 R HA -0.011 4.330 4.340 0.000 0.000 0.232 16 R C 2.151 178.417 176.300 -0.058 0.000 1.131 16 R CA 1.430 57.518 56.100 -0.020 0.000 0.955 16 R CB -0.585 29.714 30.300 -0.001 0.000 0.851 16 R HN 0.247 nan 8.270 nan 0.000 0.432 17 M N 0.304 119.860 119.600 -0.073 0.000 2.080 17 M HA -0.200 4.280 4.480 0.000 0.000 0.260 17 M C 1.062 177.233 176.300 -0.216 0.000 1.068 17 M CA 2.196 57.406 55.300 -0.150 0.000 1.109 17 M CB -0.264 32.168 32.600 -0.280 0.000 1.342 17 M HN 0.157 nan 8.290 nan 0.000 0.405 18 N N 0.743 119.369 118.700 -0.123 0.000 2.120 18 N HA -0.073 4.667 4.740 0.000 0.000 0.188 18 N C 1.590 176.964 175.510 -0.227 0.000 1.024 18 N CA 1.637 54.565 53.050 -0.203 0.000 0.852 18 N CB -0.441 38.066 38.487 0.033 0.000 1.003 18 N HN 0.442 nan 8.380 nan 0.000 0.424 19 I N -0.075 120.422 120.570 -0.122 0.000 2.315 19 I HA -0.184 3.986 4.170 0.000 0.000 0.248 19 I C 1.986 178.034 176.117 -0.116 0.000 1.117 19 I CA 0.438 61.684 61.300 -0.089 0.000 1.404 19 I CB -0.103 37.871 38.000 -0.043 0.000 1.071 19 I HN 0.111 nan 8.210 nan 0.000 0.419 20 L N 1.292 122.432 121.223 -0.139 0.000 2.017 20 L HA -0.150 4.190 4.340 0.000 0.000 0.208 20 L C 2.583 179.352 176.870 -0.169 0.000 1.073 20 L CA 2.166 56.928 54.840 -0.130 0.000 0.745 20 L CB -0.793 41.196 42.059 -0.117 0.000 0.894 20 L HN 0.179 nan 8.230 nan 0.000 0.432 21 A N -0.508 122.134 122.820 -0.297 0.000 1.908 21 A HA -0.100 4.221 4.320 0.000 0.000 0.218 21 A C 2.339 179.809 177.584 -0.191 0.000 1.181 21 A CA 1.678 53.522 52.037 -0.322 0.000 0.627 21 A CB -1.627 16.923 19.000 -0.750 0.000 0.818 21 A HN 0.541 nan 8.150 nan 0.000 0.445 22 G N -0.716 107.977 108.800 -0.178 0.000 2.408 22 G HA2 -0.218 3.743 3.960 0.000 0.000 0.217 22 G HA3 -0.218 3.743 3.960 0.000 0.000 0.217 22 G C 1.683 176.540 174.900 -0.072 0.000 1.150 22 G CA 1.200 46.243 45.100 -0.096 0.000 0.776 22 G HN 0.525 nan 8.290 nan 0.000 0.542 23 R N 0.690 121.143 120.500 -0.077 0.000 2.081 23 R HA 0.077 4.418 4.340 0.000 0.000 0.235 23 R C 2.439 178.707 176.300 -0.053 0.000 1.131 23 R CA 1.148 57.213 56.100 -0.058 0.000 0.960 23 R CB -0.708 29.559 30.300 -0.055 0.000 0.856 23 R HN 0.423 nan 8.270 nan 0.000 0.436 24 I N 0.232 120.765 120.570 -0.062 0.000 2.208 24 I HA -0.275 3.895 4.170 0.000 0.000 0.245 24 I C 1.754 177.847 176.117 -0.040 0.000 1.097 24 I CA 0.879 62.150 61.300 -0.049 0.000 1.363 24 I CB -0.279 37.690 38.000 -0.052 0.000 1.051 24 I HN 0.155 nan 8.210 nan 0.000 0.413 25 I N 1.018 121.562 120.570 -0.043 0.000 2.226 25 I HA -0.247 3.923 4.170 0.000 0.000 0.245 25 I C 2.854 178.954 176.117 -0.030 0.000 1.100 25 I CA 1.691 62.972 61.300 -0.032 0.000 1.374 25 I CB -1.543 36.439 38.000 -0.029 0.000 1.057 25 I HN 0.179 nan 8.210 nan 0.000 0.413 26 A N 0.300 123.100 122.820 -0.034 0.000 1.933 26 A HA -0.174 4.146 4.320 0.000 0.000 0.218 26 A C 2.174 179.738 177.584 -0.033 0.000 1.175 26 A CA 1.300 53.317 52.037 -0.034 0.000 0.628 26 A CB -0.396 18.581 19.000 -0.037 0.000 0.814 26 A HN 0.354 nan 8.150 nan 0.000 0.444 27 E N -0.371 119.809 120.200 -0.033 0.000 2.106 27 E HA -0.108 4.243 4.350 0.000 0.000 0.192 27 E C 2.111 178.695 176.600 -0.027 0.000 0.984 27 E CA 1.624 58.006 56.400 -0.030 0.000 0.806 27 E CB -0.677 29.005 29.700 -0.030 0.000 0.750 27 E HN 0.604 nan 8.360 nan 0.000 0.458 28 T N 1.026 115.565 114.554 -0.026 0.000 2.777 28 T HA -0.105 4.245 4.350 0.000 0.000 0.266 28 T C 2.107 176.794 174.700 -0.022 0.000 1.040 28 T CA 1.788 63.875 62.100 -0.022 0.000 1.141 28 T CB -0.119 68.738 68.868 -0.019 0.000 0.868 28 T HN 0.209 nan 8.240 nan 0.000 0.444 29 V N 1.437 121.338 119.914 -0.023 0.000 2.992 29 V HA 0.133 4.254 4.120 0.000 0.000 0.250 29 V C 2.321 178.399 176.094 -0.026 0.000 1.090 29 V CA 0.788 63.074 62.300 -0.022 0.000 1.101 29 V CB -0.774 31.037 31.823 -0.020 0.000 0.743 29 V HN 0.436 nan 8.190 nan 0.000 0.468 30 R N 2.873 123.355 120.500 -0.030 0.000 2.249 30 R HA -0.096 4.244 4.340 0.000 0.000 0.230 30 R C 1.920 178.199 176.300 -0.035 0.000 1.121 30 R CA 1.804 57.884 56.100 -0.034 0.000 0.997 30 R CB -1.038 29.240 30.300 -0.037 0.000 0.867 30 R HN 0.687 nan 8.270 nan 0.000 0.465 31 S N -0.126 115.555 115.700 -0.032 0.000 2.603 31 S HA -0.039 4.432 4.470 0.000 0.000 0.220 31 S C 1.562 176.142 174.600 -0.033 0.000 0.967 31 S CA 0.464 58.645 58.200 -0.033 0.000 0.920 31 S CB 0.305 63.487 63.200 -0.029 0.000 0.773 31 S HN 0.551 nan 8.310 nan 0.000 0.529 32 T N -0.996 113.540 114.554 -0.031 0.000 3.022 32 T HA 0.325 4.675 4.350 0.000 0.000 0.250 32 T C 0.379 175.060 174.700 -0.033 0.000 1.060 32 T CA -0.477 61.606 62.100 -0.029 0.000 1.013 32 T CB -0.468 68.387 68.868 -0.021 0.000 0.982 32 T HN 0.267 nan 8.240 nan 0.000 0.508 33 L N 3.011 124.212 121.223 -0.037 0.000 2.534 33 L HA 0.501 4.841 4.340 0.000 0.000 0.271 33 L C 0.726 177.565 176.870 -0.051 0.000 1.178 33 L CA 1.628 56.445 54.840 -0.039 0.000 0.907 33 L CB -0.843 41.191 42.059 -0.042 0.000 1.164 33 L HN 0.719 nan 8.230 nan 0.000 0.482 34 G N 4.130 112.902 108.800 -0.047 0.000 2.663 34 G HA2 -0.155 3.805 3.960 0.000 0.000 0.686 34 G HA3 -0.155 3.805 3.960 0.000 0.000 0.686 34 G C -2.003 172.850 174.900 -0.078 0.000 1.288 34 G CA -0.463 44.598 45.100 -0.065 0.000 0.836 34 G HN 0.484 nan 8.290 nan 0.000 0.584 35 P HA -0.008 nan 4.420 nan 0.000 0.218 35 P C 1.420 178.617 177.300 -0.172 0.000 1.148 35 P CA 1.460 64.476 63.100 -0.139 0.000 0.822 35 P CB 0.056 31.550 31.700 -0.342 0.000 0.784 36 K N -0.685 119.588 120.400 -0.212 0.000 2.446 36 K HA 0.256 4.577 4.320 0.000 0.000 0.203 36 K C 0.911 177.452 176.600 -0.098 0.000 1.027 36 K CA -0.207 55.981 56.287 -0.165 0.000 1.166 36 K CB -0.350 32.031 32.500 -0.198 0.000 0.869 36 K HN 0.032 nan 8.250 nan 0.000 0.504 37 G N 0.406 109.159 108.800 -0.078 0.000 2.569 37 G HA2 0.220 4.180 3.960 0.000 0.000 0.249 37 G HA3 0.220 4.180 3.960 0.000 0.000 0.249 37 G C -0.053 174.823 174.900 -0.040 0.000 1.216 37 G CA -0.456 44.612 45.100 -0.054 0.000 0.845 37 G HN -0.014 nan 8.290 nan 0.000 0.568 38 M N 0.202 119.782 119.600 -0.034 0.000 2.649 38 M HA 0.380 4.861 4.480 0.000 0.000 0.294 38 M C -0.634 175.653 176.300 -0.022 0.000 1.206 38 M CA -0.720 54.564 55.300 -0.027 0.000 0.928 38 M CB 1.446 34.030 32.600 -0.027 0.000 1.571 38 M HN 0.328 nan 8.290 nan 0.000 0.501 39 D N 0.636 121.024 120.400 -0.020 0.000 2.181 39 D HA 0.492 5.132 4.640 0.000 0.000 0.248 39 D C -0.653 175.635 176.300 -0.019 0.000 1.020 39 D CA -0.301 53.688 54.000 -0.018 0.000 0.891 39 D CB 1.215 42.004 40.800 -0.017 0.000 1.187 39 D HN 0.146 nan 8.370 nan 0.000 0.443 40 K N 0.467 120.857 120.400 -0.017 0.000 2.166 40 K HA 0.562 4.882 4.320 0.000 0.000 0.245 40 K C -0.472 176.116 176.600 -0.018 0.000 0.967 40 K CA -0.570 55.706 56.287 -0.017 0.000 0.863 40 K CB 1.838 34.329 32.500 -0.015 0.000 1.107 40 K HN 0.324 nan 8.250 nan 0.000 0.436 41 M N 3.479 123.068 119.600 -0.019 0.000 2.190 41 M HA 0.412 4.892 4.480 0.000 0.000 0.312 41 M C -1.721 174.570 176.300 -0.014 0.000 0.990 41 M CA -0.597 54.691 55.300 -0.020 0.000 0.927 41 M CB 0.640 33.224 32.600 -0.026 0.000 1.571 41 M HN 0.409 nan 8.290 nan 0.000 0.427 42 L N 6.083 127.300 121.223 -0.010 0.000 2.298 42 L HA 0.609 4.949 4.340 0.000 0.000 0.284 42 L C -1.068 175.800 176.870 -0.002 0.000 1.013 42 L CA -0.933 53.904 54.840 -0.005 0.000 0.824 42 L CB 1.721 43.779 42.059 -0.002 0.000 1.221 42 L HN 0.423 nan 8.230 nan 0.000 0.418 43 V N 2.157 122.069 119.914 -0.002 0.000 2.384 43 V HA 0.228 4.348 4.120 0.000 0.000 0.287 43 V C -0.188 175.908 176.094 0.003 0.000 1.020 43 V CA -0.817 61.483 62.300 0.000 0.000 0.850 43 V CB 1.685 33.507 31.823 -0.002 0.000 0.987 43 V HN 0.786 nan 8.190 nan 0.000 0.436 44 D N 2.383 122.786 120.400 0.005 0.000 2.440 44 D HA 0.101 4.741 4.640 0.000 0.000 0.269 44 D C 0.564 176.867 176.300 0.005 0.000 1.249 44 D CA -0.540 53.464 54.000 0.005 0.000 1.055 44 D CB 0.611 41.415 40.800 0.007 0.000 1.104 44 D HN 0.411 nan 8.370 nan 0.000 0.561 45 D N -1.341 119.063 120.400 0.005 0.000 2.310 45 D HA -0.015 4.626 4.640 0.000 0.000 0.212 45 D C 1.389 177.692 176.300 0.005 0.000 0.965 45 D CA 0.755 54.758 54.000 0.005 0.000 0.879 45 D CB -0.059 40.744 40.800 0.005 0.000 0.921 45 D HN 0.289 nan 8.370 nan 0.000 0.510 46 L N -1.476 119.751 121.223 0.006 0.000 2.554 46 L HA 0.291 4.632 4.340 0.000 0.000 0.225 46 L C 1.631 178.506 176.870 0.008 0.000 1.104 46 L CA 0.405 55.249 54.840 0.007 0.000 0.866 46 L CB 0.265 42.328 42.059 0.008 0.000 1.047 46 L HN 0.221 nan 8.230 nan 0.000 0.468 47 G N -0.258 108.547 108.800 0.008 0.000 2.195 47 G HA2 -0.250 3.710 3.960 0.000 0.000 0.224 47 G HA3 -0.250 3.710 3.960 0.000 0.000 0.224 47 G C 0.075 174.982 174.900 0.012 0.000 0.990 47 G CA -0.033 45.072 45.100 0.008 0.000 0.639 47 G HN 0.315 nan 8.290 nan 0.000 0.514 48 D N 1.009 121.418 120.400 0.014 0.000 2.458 48 D HA 0.377 5.017 4.640 0.000 0.000 0.243 48 D C 0.481 176.792 176.300 0.019 0.000 1.146 48 D CA 0.263 54.275 54.000 0.020 0.000 0.877 48 D CB 1.188 41.999 40.800 0.019 0.000 1.176 48 D HN 0.237 nan 8.370 nan 0.000 0.461 49 V N 4.730 124.659 119.914 0.026 0.000 2.370 49 V HA 0.289 4.410 4.120 0.000 0.000 0.283 49 V C 0.112 176.221 176.094 0.024 0.000 1.023 49 V CA -0.812 61.496 62.300 0.015 0.000 0.857 49 V CB 1.647 33.470 31.823 -0.000 0.000 0.985 49 V HN 0.340 nan 8.190 nan 0.000 0.443 50 V N 6.013 125.934 119.914 0.012 0.000 2.378 50 V HA 0.446 4.567 4.120 0.000 0.000 0.288 50 V C -0.211 175.883 176.094 -0.000 0.000 1.016 50 V CA -0.545 61.765 62.300 0.016 0.000 0.840 50 V CB 1.879 33.712 31.823 0.016 0.000 0.994 50 V HN 0.601 nan 8.190 nan 0.000 0.431 51 V N 4.515 124.428 119.914 -0.003 0.000 2.384 51 V HA 0.788 4.909 4.120 0.000 0.000 0.287 51 V C 0.091 176.184 176.094 -0.002 0.000 1.020 51 V CA 0.032 62.321 62.300 -0.019 0.000 0.850 51 V CB 1.611 33.401 31.823 -0.054 0.000 0.987 51 V HN 0.988 nan 8.190 nan 0.000 0.436 52 T N 2.986 117.537 114.554 -0.004 0.000 2.718 52 T HA 0.375 4.725 4.350 0.000 0.000 0.306 52 T C -0.282 174.415 174.700 -0.004 0.000 1.485 52 T CA -0.063 62.037 62.100 0.001 0.000 0.997 52 T CB 1.701 70.572 68.868 0.006 0.000 1.504 52 T HN 0.789 nan 8.240 nan 0.000 0.497 53 N N 0.215 118.913 118.700 -0.002 0.000 2.143 53 N HA 0.235 4.975 4.740 0.000 0.000 0.222 53 N C -0.627 174.880 175.510 -0.005 0.000 1.264 53 N CA -0.396 52.650 53.050 -0.006 0.000 0.897 53 N CB 0.342 38.825 38.487 -0.007 0.000 1.092 53 N HN 0.514 nan 8.380 nan 0.000 0.516 54 D N -0.433 119.966 120.400 -0.001 0.000 2.348 54 D HA 0.371 5.012 4.640 0.000 0.000 0.253 54 D C 1.466 177.764 176.300 -0.003 0.000 1.161 54 D CA -0.042 53.958 54.000 -0.001 0.000 0.876 54 D CB 1.137 41.939 40.800 0.003 0.000 1.160 54 D HN 0.234 nan 8.370 nan 0.000 0.459 55 G N 2.360 111.157 108.800 -0.004 0.000 2.418 55 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 55 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 55 G C 1.463 176.361 174.900 -0.003 0.000 1.158 55 G CA 0.610 45.707 45.100 -0.006 0.000 0.771 55 G HN 0.476 nan 8.290 nan 0.000 0.545 56 V N 0.847 120.760 119.914 -0.001 0.000 2.307 56 V HA -0.161 3.960 4.120 0.000 0.000 0.245 56 V C 3.172 179.267 176.094 0.002 0.000 1.045 56 V CA 2.354 64.654 62.300 0.001 0.000 1.024 56 V CB -0.869 30.956 31.823 0.003 0.000 0.651 56 V HN 0.385 nan 8.190 nan 0.000 0.449 57 T N 0.429 114.985 114.554 0.003 0.000 2.684 57 T HA -0.185 4.166 4.350 0.000 0.000 0.267 57 T C 1.815 176.517 174.700 0.003 0.000 1.036 57 T CA 1.986 64.088 62.100 0.004 0.000 1.148 57 T CB -0.325 68.547 68.868 0.006 0.000 0.863 57 T HN 0.330 nan 8.240 nan 0.000 0.436 58 I N 0.347 120.917 120.570 0.001 0.000 2.226 58 I HA -0.148 4.022 4.170 0.000 0.000 0.245 58 I C 2.080 178.197 176.117 -0.001 0.000 1.100 58 I CA 0.979 62.278 61.300 -0.001 0.000 1.374 58 I CB -0.281 37.716 38.000 -0.005 0.000 1.057 58 I HN 0.160 nan 8.210 nan 0.000 0.413 59 L N 0.135 121.358 121.223 -0.000 0.000 2.156 59 L HA -0.087 4.254 4.340 0.000 0.000 0.208 59 L C 2.469 179.341 176.870 0.004 0.000 1.095 59 L CA 1.472 56.312 54.840 0.001 0.000 0.770 59 L CB -0.974 41.085 42.059 0.001 0.000 0.914 59 L HN 0.158 nan 8.230 nan 0.000 0.439 60 R N -0.125 120.378 120.500 0.004 0.000 2.073 60 R HA -0.094 4.246 4.340 0.000 0.000 0.229 60 R C 1.857 178.160 176.300 0.005 0.000 1.120 60 R CA 1.147 57.251 56.100 0.005 0.000 0.967 60 R CB 0.105 30.408 30.300 0.005 0.000 0.862 60 R HN 0.312 nan 8.270 nan 0.000 0.436 61 E N 0.264 120.467 120.200 0.005 0.000 2.112 61 E HA -0.003 4.347 4.350 0.000 0.000 0.190 61 E C 0.800 177.403 176.600 0.005 0.000 0.979 61 E CA 0.456 56.859 56.400 0.005 0.000 0.814 61 E CB -0.055 29.649 29.700 0.005 0.000 0.762 61 E HN 0.324 nan 8.360 nan 0.000 0.460 62 M N 0.484 120.086 119.600 0.004 0.000 2.243 62 M HA 0.048 4.528 4.480 0.000 0.000 0.341 62 M C 0.442 176.745 176.300 0.006 0.000 1.130 62 M CA 0.109 55.411 55.300 0.003 0.000 1.162 62 M CB 1.000 33.601 32.600 0.001 0.000 1.497 62 M HN -0.235 nan 8.290 nan 0.000 0.456 63 S N 3.190 118.894 115.700 0.006 0.000 2.488 63 S HA 0.476 4.947 4.470 0.000 0.000 0.310 63 S C -0.528 174.078 174.600 0.011 0.000 1.093 63 S CA -0.965 57.240 58.200 0.009 0.000 1.129 63 S CB -0.058 63.147 63.200 0.008 0.000 0.989 63 S HN 0.509 nan 8.310 nan 0.000 0.479 64 V N 3.036 122.959 119.914 0.015 0.000 3.036 64 V HA 0.615 4.735 4.120 0.000 0.000 0.308 64 V C 0.721 176.831 176.094 0.028 0.000 1.070 64 V CA -0.163 62.151 62.300 0.023 0.000 1.056 64 V CB 1.144 32.983 31.823 0.027 0.000 1.084 64 V HN 0.840 nan 8.190 nan 0.000 0.471 65 E N -0.501 119.723 120.200 0.040 0.000 2.228 65 E HA 0.102 4.452 4.350 0.000 0.000 0.197 65 E C 0.405 177.029 176.600 0.041 0.000 0.909 65 E CA -0.092 56.328 56.400 0.034 0.000 0.911 65 E CB 0.080 29.799 29.700 0.030 0.000 0.887 65 E HN 0.824 nan 8.360 nan 0.000 0.481 66 H N 1.910 120.967 119.070 -0.023 0.000 2.764 66 H HA 0.031 4.587 4.556 0.000 0.000 0.341 66 H C -1.875 173.439 175.328 -0.024 0.000 1.072 66 H CA -1.515 54.513 56.048 -0.034 0.000 1.444 66 H CB 1.390 31.120 29.762 -0.054 0.000 1.458 66 H HN -0.121 nan 8.280 nan 0.000 0.572 67 P HA -0.135 nan 4.420 nan 0.000 0.216 67 P C 1.087 178.491 177.300 0.174 0.000 1.150 67 P CA 2.037 65.159 63.100 0.037 0.000 0.837 67 P CB 0.103 31.763 31.700 -0.067 0.000 0.786 68 A N -0.024 123.058 122.820 0.436 0.000 1.902 68 A HA -0.103 4.217 4.320 0.000 0.000 0.217 68 A C 2.318 179.947 177.584 0.075 0.000 1.181 68 A CA 2.044 54.194 52.037 0.189 0.000 0.623 68 A CB -1.554 17.463 19.000 0.029 0.000 0.818 68 A HN 0.198 nan 8.150 nan 0.000 0.443 69 A N -0.263 122.602 122.820 0.075 0.000 1.930 69 A HA -0.153 4.167 4.320 0.000 0.000 0.217 69 A C 2.121 179.727 177.584 0.037 0.000 1.175 69 A CA 1.946 54.000 52.037 0.028 0.000 0.627 69 A CB -0.439 18.575 19.000 0.023 0.000 0.815 69 A HN 0.554 nan 8.150 nan 0.000 0.443 70 K N -0.835 119.598 120.400 0.056 0.000 2.097 70 K HA -0.091 4.229 4.320 0.000 0.000 0.206 70 K C 1.995 178.614 176.600 0.032 0.000 1.049 70 K CA 1.613 57.922 56.287 0.037 0.000 0.933 70 K CB -0.232 32.288 32.500 0.034 0.000 0.717 70 K HN 0.520 nan 8.250 nan 0.000 0.442 71 M N 0.132 119.756 119.600 0.039 0.000 2.200 71 M HA -0.133 4.347 4.480 0.000 0.000 0.265 71 M C 1.843 178.157 176.300 0.023 0.000 1.066 71 M CA 0.932 56.251 55.300 0.031 0.000 1.127 71 M CB -0.084 32.539 32.600 0.038 0.000 1.379 71 M HN 0.095 nan 8.290 nan 0.000 0.420 72 L N 0.313 121.547 121.223 0.019 0.000 2.131 72 L HA -0.129 4.211 4.340 0.000 0.000 0.210 72 L C 2.152 179.027 176.870 0.008 0.000 1.092 72 L CA 1.668 56.514 54.840 0.010 0.000 0.759 72 L CB -0.656 41.403 42.059 0.001 0.000 0.903 72 L HN 0.260 nan 8.230 nan 0.000 0.435 73 I N -0.901 119.675 120.570 0.010 0.000 2.226 73 I HA -0.296 3.875 4.170 0.000 0.000 0.245 73 I C 2.270 178.393 176.117 0.009 0.000 1.100 73 I CA 1.258 62.563 61.300 0.009 0.000 1.374 73 I CB -0.252 37.754 38.000 0.011 0.000 1.057 73 I HN 0.317 nan 8.210 nan 0.000 0.413 74 E N 0.160 120.367 120.200 0.012 0.000 2.106 74 E HA -0.145 4.205 4.350 0.000 0.000 0.192 74 E C 2.317 178.924 176.600 0.011 0.000 0.984 74 E CA 1.007 57.414 56.400 0.012 0.000 0.806 74 E CB 0.031 29.739 29.700 0.014 0.000 0.750 74 E HN 0.279 nan 8.360 nan 0.000 0.458 75 V N 1.355 121.276 119.914 0.012 0.000 2.358 75 V HA -0.261 3.860 4.120 0.000 0.000 0.246 75 V C 2.319 178.419 176.094 0.009 0.000 1.047 75 V CA 1.835 64.142 62.300 0.012 0.000 1.035 75 V CB -0.643 31.189 31.823 0.014 0.000 0.658 75 V HN 0.319 nan 8.190 nan 0.000 0.452 76 A N -0.323 122.501 122.820 0.007 0.000 1.933 76 A HA -0.241 4.080 4.320 0.000 0.000 0.218 76 A C 2.280 179.867 177.584 0.005 0.000 1.175 76 A CA 1.943 53.982 52.037 0.004 0.000 0.628 76 A CB -0.411 18.590 19.000 0.002 0.000 0.814 76 A HN 0.555 nan 8.150 nan 0.000 0.444 77 K N -0.960 119.444 120.400 0.006 0.000 2.097 77 K HA -0.074 4.247 4.320 0.000 0.000 0.205 77 K C 2.029 178.633 176.600 0.006 0.000 1.050 77 K CA 1.663 57.953 56.287 0.006 0.000 0.938 77 K CB -0.307 32.197 32.500 0.007 0.000 0.718 77 K HN 0.457 nan 8.250 nan 0.000 0.442 78 T N 0.945 115.504 114.554 0.008 0.000 2.821 78 T HA -0.169 4.181 4.350 0.000 0.000 0.267 78 T C 1.819 176.523 174.700 0.008 0.000 1.046 78 T CA 1.281 63.386 62.100 0.008 0.000 1.139 78 T CB -0.127 68.748 68.868 0.010 0.000 0.871 78 T HN 0.168 nan 8.240 nan 0.000 0.454 79 Q N 1.234 121.038 119.800 0.007 0.000 2.124 79 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 79 Q C 2.111 178.115 176.000 0.006 0.000 0.977 79 Q CA 1.711 57.518 55.803 0.007 0.000 0.850 79 Q CB -0.272 28.469 28.738 0.005 0.000 0.901 79 Q HN 0.463 nan 8.270 nan 0.000 0.429 80 E N 0.116 120.319 120.200 0.005 0.000 2.072 80 E HA -0.133 4.217 4.350 0.000 0.000 0.191 80 E C 1.568 178.171 176.600 0.005 0.000 0.985 80 E CA 1.524 57.927 56.400 0.005 0.000 0.801 80 E CB -0.016 29.687 29.700 0.004 0.000 0.750 80 E HN 0.362 nan 8.360 nan 0.000 0.452 81 K N -0.071 120.332 120.400 0.005 0.000 2.097 81 K HA -0.107 4.213 4.320 0.000 0.000 0.205 81 K C 2.070 178.673 176.600 0.005 0.000 1.050 81 K CA 1.346 57.636 56.287 0.005 0.000 0.938 81 K CB 0.019 32.522 32.500 0.005 0.000 0.718 81 K HN 0.107 nan 8.250 nan 0.000 0.442 82 E N -0.002 120.201 120.200 0.006 0.000 2.045 82 E HA -0.053 4.298 4.350 0.000 0.000 0.190 82 E C 2.129 178.733 176.600 0.007 0.000 0.968 82 E CA 1.027 57.431 56.400 0.006 0.000 0.813 82 E CB 0.063 29.767 29.700 0.008 0.000 0.780 82 E HN 0.031 nan 8.360 nan 0.000 0.455 83 V N -1.084 118.834 119.914 0.007 0.000 3.048 83 V HA 0.237 4.358 4.120 0.000 0.000 0.241 83 V C 1.630 177.727 176.094 0.006 0.000 1.129 83 V CA 1.031 63.335 62.300 0.007 0.000 1.128 83 V CB 0.496 32.323 31.823 0.007 0.000 0.849 83 V HN 0.473 nan 8.190 nan 0.000 0.475 84 G N 0.173 108.976 108.800 0.006 0.000 4.165 84 G HA2 -0.248 3.712 3.960 0.000 0.000 0.211 84 G HA3 -0.248 3.712 3.960 0.000 0.000 0.211 84 G C 0.221 175.125 174.900 0.005 0.000 1.469 84 G CA 0.332 45.435 45.100 0.006 0.000 0.964 84 G HN 0.438 nan 8.290 nan 0.000 0.613 85 D N 1.099 121.502 120.400 0.006 0.000 2.506 85 D HA 0.492 5.132 4.640 0.000 0.000 0.272 85 D C 1.506 177.807 176.300 0.003 0.000 1.214 85 D CA 1.182 55.186 54.000 0.005 0.000 1.067 85 D CB 0.708 41.513 40.800 0.008 0.000 1.117 85 D HN 1.631 nan 8.370 nan 0.000 0.578 86 G N -0.523 108.277 108.800 0.001 0.000 2.143 86 G HA2 -0.318 3.643 3.960 0.000 0.000 0.249 86 G HA3 -0.318 3.643 3.960 0.000 0.000 0.249 86 G C 1.034 175.930 174.900 -0.006 0.000 0.981 86 G CA 1.487 46.585 45.100 -0.003 0.000 0.665 86 G HN 0.603 nan 8.290 nan 0.000 0.528 87 T N -2.428 112.123 114.554 -0.005 0.000 2.612 87 T HA -0.086 4.264 4.350 0.000 0.000 0.259 87 T C 2.203 176.897 174.700 -0.011 0.000 1.065 87 T CA 2.494 64.591 62.100 -0.006 0.000 1.167 87 T CB -0.909 67.957 68.868 -0.003 0.000 0.863 87 T HN 0.292 nan 8.240 nan 0.000 0.407 88 T N 1.919 116.465 114.554 -0.013 0.000 2.720 88 T HA -0.124 4.226 4.350 0.000 0.000 0.268 88 T C 2.232 176.917 174.700 -0.025 0.000 1.037 88 T CA 1.939 64.028 62.100 -0.019 0.000 1.144 88 T CB -1.107 67.749 68.868 -0.020 0.000 0.864 88 T HN 0.556 nan 8.240 nan 0.000 0.444 89 T N 2.020 116.559 114.554 -0.025 0.000 2.652 89 T HA -0.097 4.253 4.350 0.000 0.000 0.267 89 T C 2.398 177.076 174.700 -0.037 0.000 1.039 89 T CA 1.352 63.432 62.100 -0.033 0.000 1.153 89 T CB -0.631 68.220 68.868 -0.028 0.000 0.863 89 T HN 0.462 nan 8.240 nan 0.000 0.428 90 A N 0.772 123.575 122.820 -0.027 0.000 1.933 90 A HA -0.032 4.288 4.320 0.000 0.000 0.218 90 A C 2.587 180.154 177.584 -0.028 0.000 1.175 90 A CA 1.284 53.305 52.037 -0.026 0.000 0.628 90 A CB -0.930 18.063 19.000 -0.012 0.000 0.814 90 A HN 0.366 nan 8.150 nan 0.000 0.444 91 V N -0.530 119.369 119.914 -0.025 0.000 2.358 91 V HA -0.202 3.918 4.120 0.000 0.000 0.246 91 V C 2.549 178.622 176.094 -0.036 0.000 1.047 91 V CA 1.884 64.169 62.300 -0.025 0.000 1.035 91 V CB -0.650 31.160 31.823 -0.022 0.000 0.658 91 V HN 0.370 nan 8.190 nan 0.000 0.452 92 V N -0.340 119.549 119.914 -0.042 0.000 2.358 92 V HA -0.200 3.921 4.120 0.000 0.000 0.246 92 V C 2.420 178.473 176.094 -0.068 0.000 1.047 92 V CA 1.784 64.053 62.300 -0.052 0.000 1.035 92 V CB -0.295 31.496 31.823 -0.052 0.000 0.658 92 V HN 0.402 nan 8.190 nan 0.000 0.452 93 V N 0.360 120.227 119.914 -0.078 0.000 2.295 93 V HA -0.255 3.865 4.120 0.000 0.000 0.246 93 V C 2.703 178.733 176.094 -0.107 0.000 1.049 93 V CA 2.063 64.294 62.300 -0.116 0.000 1.024 93 V CB -1.111 30.638 31.823 -0.124 0.000 0.648 93 V HN 0.561 nan 8.190 nan 0.000 0.447 94 A N 0.407 123.189 122.820 -0.064 0.000 1.933 94 A HA -0.070 4.250 4.320 0.000 0.000 0.218 94 A C 2.397 179.965 177.584 -0.026 0.000 1.175 94 A CA 1.868 53.885 52.037 -0.033 0.000 0.628 94 A CB -1.126 17.867 19.000 -0.011 0.000 0.814 94 A HN 0.531 nan 8.150 nan 0.000 0.444 95 G N -0.470 108.308 108.800 -0.037 0.000 2.421 95 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 95 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 95 G C 1.468 176.347 174.900 -0.034 0.000 1.171 95 G CA 1.263 46.343 45.100 -0.034 0.000 0.775 95 G HN 0.570 nan 8.290 nan 0.000 0.543 96 E N -0.267 119.900 120.200 -0.055 0.000 2.150 96 E HA -0.014 4.337 4.350 0.000 0.000 0.193 96 E C 2.343 178.912 176.600 -0.053 0.000 0.985 96 E CA 0.297 56.660 56.400 -0.062 0.000 0.814 96 E CB -0.257 29.386 29.700 -0.096 0.000 0.752 96 E HN 0.244 nan 8.360 nan 0.000 0.466 97 L N 0.141 121.325 121.223 -0.066 0.000 2.017 97 L HA -0.119 4.221 4.340 0.000 0.000 0.208 97 L C 2.178 179.120 176.870 0.119 0.000 1.073 97 L CA 1.532 56.354 54.840 -0.031 0.000 0.745 97 L CB -0.650 41.374 42.059 -0.058 0.000 0.894 97 L HN 0.279 nan 8.230 nan 0.000 0.432 98 L N -1.626 119.643 121.223 0.077 0.000 2.156 98 L HA -0.160 4.180 4.340 0.000 0.000 0.208 98 L C 2.658 179.560 176.870 0.054 0.000 1.095 98 L CA 0.608 55.495 54.840 0.078 0.000 0.770 98 L CB -0.363 41.717 42.059 0.035 0.000 0.914 98 L HN 0.198 nan 8.230 nan 0.000 0.439 99 R N 0.838 121.355 120.500 0.028 0.000 2.073 99 R HA -0.171 4.169 4.340 0.000 0.000 0.234 99 R C 2.162 178.483 176.300 0.036 0.000 1.134 99 R CA 1.572 57.682 56.100 0.017 0.000 0.952 99 R CB -0.113 30.185 30.300 -0.004 0.000 0.850 99 R HN -0.020 nan 8.270 nan 0.000 0.433 100 K N -0.143 120.292 120.400 0.057 0.000 2.057 100 K HA 0.081 4.401 4.320 0.000 0.000 0.206 100 K C 1.866 178.540 176.600 0.125 0.000 1.050 100 K CA 1.595 57.935 56.287 0.088 0.000 0.935 100 K CB -0.442 32.120 32.500 0.104 0.000 0.715 100 K HN 0.299 nan 8.250 nan 0.000 0.439 101 A N 0.525 123.448 122.820 0.172 0.000 1.933 101 A HA -0.203 4.118 4.320 0.000 0.000 0.218 101 A C 2.091 179.700 177.584 0.042 0.000 1.175 101 A CA 1.800 53.909 52.037 0.119 0.000 0.628 101 A CB -0.477 18.615 19.000 0.153 0.000 0.814 101 A HN 0.452 nan 8.150 nan 0.000 0.444 102 E N -0.336 119.889 120.200 0.041 0.000 2.153 102 E HA -0.198 4.153 4.350 0.000 0.000 0.194 102 E C 1.647 178.255 176.600 0.013 0.000 0.988 102 E CA 1.055 57.465 56.400 0.017 0.000 0.811 102 E CB -0.016 29.692 29.700 0.013 0.000 0.746 102 E HN 0.526 nan 8.360 nan 0.000 0.466 103 E N 0.254 120.467 120.200 0.022 0.000 2.153 103 E HA -0.160 4.190 4.350 0.000 0.000 0.194 103 E C 1.986 178.595 176.600 0.014 0.000 0.988 103 E CA 0.514 56.925 56.400 0.019 0.000 0.811 103 E CB 0.024 29.739 29.700 0.026 0.000 0.746 103 E HN 0.327 nan 8.360 nan 0.000 0.466 104 L N -0.026 121.205 121.223 0.014 0.000 2.095 104 L HA -0.076 4.264 4.340 0.000 0.000 0.204 104 L C 2.292 179.156 176.870 -0.011 0.000 1.080 104 L CA 0.753 55.595 54.840 0.003 0.000 0.759 104 L CB -0.942 41.113 42.059 -0.006 0.000 0.914 104 L HN 0.166 nan 8.230 nan 0.000 0.439 105 L N -0.038 121.174 121.223 -0.018 0.000 2.093 105 L HA -0.190 4.151 4.340 0.000 0.000 0.208 105 L C 2.215 179.074 176.870 -0.019 0.000 1.085 105 L CA 1.565 56.388 54.840 -0.029 0.000 0.755 105 L CB -0.873 41.167 42.059 -0.031 0.000 0.904 105 L HN 0.242 nan 8.230 nan 0.000 0.435 106 D N -1.185 119.210 120.400 -0.008 0.000 2.178 106 D HA -0.234 4.406 4.640 0.000 0.000 0.202 106 D C 2.141 178.440 176.300 -0.001 0.000 0.974 106 D CA 0.688 54.686 54.000 -0.003 0.000 0.841 106 D CB 0.097 40.898 40.800 0.002 0.000 0.953 106 D HN 0.342 nan 8.370 nan 0.000 0.478 107 Q N -0.167 119.634 119.800 0.000 0.000 2.482 107 Q HA -0.030 4.311 4.340 0.000 0.000 0.209 107 Q C -0.293 175.708 176.000 0.002 0.000 0.961 107 Q CA 0.412 56.217 55.803 0.003 0.000 0.945 107 Q CB 0.072 28.814 28.738 0.007 0.000 1.012 107 Q HN 0.209 nan 8.270 nan 0.000 0.515 108 N N -0.532 118.165 118.700 -0.005 0.000 2.815 108 N HA -0.137 4.603 4.740 0.000 0.000 0.248 108 N C -1.436 174.075 175.510 0.001 0.000 1.110 108 N CA 0.725 53.771 53.050 -0.007 0.000 0.699 108 N CB -1.690 36.797 38.487 -0.000 0.000 1.040 108 N HN 0.033 nan 8.380 nan 0.000 0.555 109 V N 1.568 121.481 119.914 -0.002 0.000 2.432 109 V HA 0.101 4.221 4.120 0.000 0.000 0.275 109 V C 1.096 177.197 176.094 0.012 0.000 1.043 109 V CA -0.654 61.655 62.300 0.016 0.000 0.925 109 V CB 1.413 33.242 31.823 0.009 0.000 0.985 109 V HN 0.288 nan 8.190 nan 0.000 0.466 110 H N 7.980 127.036 119.070 -0.024 0.000 3.094 110 H HA 0.017 4.573 4.556 0.001 0.000 0.320 110 H C -1.699 173.604 175.328 -0.041 0.000 1.000 110 H CA -1.096 54.936 56.048 -0.026 0.000 1.413 110 H CB 1.529 31.278 29.762 -0.022 0.000 1.405 110 H HN 0.396 nan 8.280 nan 0.000 0.586 111 P HA -0.169 nan 4.420 nan 0.000 0.217 111 P C 1.531 178.867 177.300 0.061 0.000 1.148 111 P CA 1.708 64.761 63.100 -0.077 0.000 0.834 111 P CB 0.089 31.701 31.700 -0.147 0.000 0.783 112 T N -1.805 112.941 114.554 0.320 0.000 2.915 112 T HA -0.064 4.286 4.350 0.000 0.000 0.269 112 T C 1.585 176.308 174.700 0.038 0.000 1.071 112 T CA 0.761 62.952 62.100 0.152 0.000 1.132 112 T CB -0.728 68.191 68.868 0.086 0.000 0.878 112 T HN -0.026 nan 8.240 nan 0.000 0.479 113 I N 0.215 120.814 120.570 0.048 0.000 2.286 113 I HA -0.091 4.079 4.170 0.000 0.000 0.245 113 I C 2.413 178.481 176.117 -0.082 0.000 1.104 113 I CA 0.730 62.023 61.300 -0.012 0.000 1.397 113 I CB -0.233 37.772 38.000 0.009 0.000 1.072 113 I HN 0.104 nan 8.210 nan 0.000 0.417 114 V N 0.402 120.233 119.914 -0.138 0.000 2.343 114 V HA -0.223 3.897 4.120 0.000 0.000 0.247 114 V C 2.423 178.216 176.094 -0.501 0.000 1.051 114 V CA 1.496 63.581 62.300 -0.357 0.000 1.036 114 V CB -0.370 31.242 31.823 -0.352 0.000 0.654 114 V HN 0.220 nan 8.190 nan 0.000 0.451 115 V N -0.068 119.694 119.914 -0.254 0.000 2.270 115 V HA -0.282 3.838 4.120 0.000 0.000 0.245 115 V C 2.425 178.479 176.094 -0.066 0.000 1.043 115 V CA 2.414 64.631 62.300 -0.139 0.000 1.014 115 V CB -0.651 31.143 31.823 -0.048 0.000 0.645 115 V HN 0.545 nan 8.190 nan 0.000 0.447 116 K N 0.196 120.563 120.400 -0.055 0.000 2.057 116 K HA -0.155 4.165 4.320 0.000 0.000 0.207 116 K C 2.159 178.747 176.600 -0.020 0.000 1.049 116 K CA 1.666 57.936 56.287 -0.029 0.000 0.931 116 K CB -0.629 31.855 32.500 -0.027 0.000 0.714 116 K HN 0.492 nan 8.250 nan 0.000 0.440 117 G N -0.013 108.770 108.800 -0.029 0.000 2.440 117 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 117 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 117 G C 1.140 176.104 174.900 0.105 0.000 1.154 117 G CA 0.695 45.813 45.100 0.030 0.000 0.767 117 G HN 0.270 nan 8.290 nan 0.000 0.552 118 Y N 0.816 121.042 120.300 -0.125 0.000 2.314 118 Y HA 0.018 4.568 4.550 0.000 0.000 0.293 118 Y C 2.996 178.714 175.900 -0.303 0.000 1.129 118 Y CA 0.595 58.537 58.100 -0.264 0.000 1.201 118 Y CB -0.672 37.748 38.460 -0.066 0.000 0.999 118 Y HN 0.335 nan 8.280 nan 0.000 0.541 119 Q N -0.562 119.242 119.800 0.007 0.000 2.046 119 Q HA -0.107 4.233 4.340 0.000 0.000 0.200 119 Q C 2.563 178.514 176.000 -0.081 0.000 0.975 119 Q CA 1.386 57.168 55.803 -0.034 0.000 0.836 119 Q CB -0.243 28.489 28.738 -0.010 0.000 0.896 119 Q HN 0.417 nan 8.270 nan 0.000 0.428 120 A N 1.086 123.861 122.820 -0.074 0.000 1.873 120 A HA -0.102 4.218 4.320 0.000 0.000 0.215 120 A C 2.285 179.805 177.584 -0.106 0.000 1.186 120 A CA 1.608 53.604 52.037 -0.068 0.000 0.616 120 A CB -0.840 18.138 19.000 -0.036 0.000 0.823 120 A HN 0.390 nan 8.150 nan 0.000 0.442 121 A N -0.220 122.474 122.820 -0.210 0.000 1.898 121 A HA 0.196 4.517 4.320 0.000 0.000 0.216 121 A C 2.492 179.827 177.584 -0.414 0.000 1.181 121 A CA 2.024 53.870 52.037 -0.317 0.000 0.620 121 A CB -0.979 17.677 19.000 -0.574 0.000 0.819 121 A HN 1.036 nan 8.150 nan 0.000 0.442 122 A N -0.966 121.499 122.820 -0.591 0.000 1.933 122 A HA -0.171 4.149 4.320 0.000 0.000 0.218 122 A C 2.145 179.685 177.584 -0.074 0.000 1.175 122 A CA 2.064 53.934 52.037 -0.278 0.000 0.628 122 A CB -0.477 18.396 19.000 -0.212 0.000 0.814 122 A HN 0.527 nan 8.150 nan 0.000 0.444 123 Q N 0.020 119.775 119.800 -0.074 0.000 2.119 123 Q HA -0.120 4.220 4.340 0.000 0.000 0.201 123 Q C 1.839 177.846 176.000 0.012 0.000 0.972 123 Q CA 1.799 57.589 55.803 -0.022 0.000 0.847 123 Q CB -0.110 28.611 28.738 -0.029 0.000 0.903 123 Q HN 0.486 nan 8.270 nan 0.000 0.433 124 K N -0.410 120.008 120.400 0.029 0.000 2.167 124 K HA 0.093 4.413 4.320 0.000 0.000 0.203 124 K C 1.909 178.602 176.600 0.156 0.000 1.052 124 K CA 0.934 57.291 56.287 0.117 0.000 0.956 124 K CB -0.288 32.339 32.500 0.212 0.000 0.735 124 K HN 0.278 nan 8.250 nan 0.000 0.451 125 A N 1.588 124.480 122.820 0.119 0.000 1.898 125 A HA -0.183 4.138 4.320 0.000 0.000 0.216 125 A C 2.144 179.786 177.584 0.096 0.000 1.181 125 A CA 1.264 53.380 52.037 0.131 0.000 0.620 125 A CB -0.364 18.758 19.000 0.203 0.000 0.819 125 A HN 0.335 nan 8.150 nan 0.000 0.442 126 Q N -1.000 118.845 119.800 0.076 0.000 2.119 126 Q HA -0.172 4.168 4.340 0.000 0.000 0.201 126 Q C 2.079 178.112 176.000 0.054 0.000 0.972 126 Q CA 1.374 57.211 55.803 0.057 0.000 0.847 126 Q CB -0.104 28.659 28.738 0.043 0.000 0.903 126 Q HN 0.855 nan 8.270 nan 0.000 0.433 127 E N 0.861 121.098 120.200 0.062 0.000 2.072 127 E HA -0.176 4.174 4.350 0.000 0.000 0.191 127 E C 1.916 178.562 176.600 0.077 0.000 0.985 127 E CA 0.613 57.050 56.400 0.062 0.000 0.801 127 E CB 0.039 29.777 29.700 0.062 0.000 0.750 127 E HN 0.304 nan 8.360 nan 0.000 0.452 128 L N 0.336 121.619 121.223 0.101 0.000 2.083 128 L HA -0.188 4.152 4.340 0.000 0.000 0.209 128 L C 2.390 179.297 176.870 0.061 0.000 1.083 128 L CA 0.313 55.207 54.840 0.090 0.000 0.752 128 L CB -0.263 41.847 42.059 0.086 0.000 0.899 128 L HN 0.243 nan 8.230 nan 0.000 0.433 129 L N -0.117 121.140 121.223 0.056 0.000 2.083 129 L HA -0.191 4.149 4.340 0.000 0.000 0.209 129 L C 2.453 179.346 176.870 0.037 0.000 1.083 129 L CA 1.705 56.570 54.840 0.043 0.000 0.752 129 L CB -0.731 41.352 42.059 0.041 0.000 0.899 129 L HN 0.159 nan 8.230 nan 0.000 0.433 130 K N -1.499 118.924 120.400 0.038 0.000 2.148 130 K HA -0.083 4.238 4.320 0.000 0.000 0.204 130 K C 1.918 178.537 176.600 0.032 0.000 1.050 130 K CA 1.463 57.769 56.287 0.032 0.000 0.942 130 K CB -0.191 32.327 32.500 0.030 0.000 0.724 130 K HN 0.307 nan 8.250 nan 0.000 0.446 131 T N 1.978 116.556 114.554 0.039 0.000 2.777 131 T HA -0.075 4.275 4.350 0.000 0.000 0.266 131 T C 1.872 176.592 174.700 0.032 0.000 1.040 131 T CA 1.266 63.389 62.100 0.039 0.000 1.141 131 T CB -0.138 68.761 68.868 0.052 0.000 0.868 131 T HN 0.383 nan 8.240 nan 0.000 0.444 132 I N -0.305 120.285 120.570 0.034 0.000 3.419 132 I HA 0.438 4.608 4.170 0.000 0.000 0.286 132 I C 1.075 177.207 176.117 0.024 0.000 1.268 132 I CA -0.526 60.792 61.300 0.029 0.000 1.414 132 I CB -0.473 37.548 38.000 0.036 0.000 1.074 132 I HN -0.052 nan 8.210 nan 0.000 0.457 133 A N 1.550 124.385 122.820 0.024 0.000 2.546 133 A HA 0.135 4.455 4.320 0.000 0.000 0.243 133 A C 0.100 177.694 177.584 0.016 0.000 1.063 133 A CA -0.023 52.026 52.037 0.020 0.000 0.757 133 A CB -0.228 18.784 19.000 0.020 0.000 0.991 133 A HN 0.638 nan 8.150 nan 0.000 0.503 134 C N 3.412 122.720 119.300 0.014 0.000 2.273 134 C HA 0.568 5.029 4.460 0.000 0.000 0.328 134 C C 0.331 175.327 174.990 0.010 0.000 1.275 134 C CA -0.616 58.409 59.018 0.011 0.000 1.704 134 C CB -0.100 27.646 27.740 0.010 0.000 2.326 134 C HN 0.943 nan 8.230 nan 0.000 0.517 135 E N 3.614 123.819 120.200 0.009 0.000 2.324 135 E HA 0.453 4.804 4.350 0.000 0.000 0.271 135 E C -0.179 176.425 176.600 0.006 0.000 1.028 135 E CA 0.071 56.475 56.400 0.007 0.000 0.890 135 E CB 0.764 30.468 29.700 0.007 0.000 1.004 135 E HN 0.718 nan 8.360 nan 0.000 0.431 136 V N 1.533 121.450 119.914 0.006 0.000 3.040 136 V HA 0.857 4.978 4.120 0.000 0.000 0.312 136 V C 0.502 176.599 176.094 0.004 0.000 1.115 136 V CA -0.752 61.550 62.300 0.005 0.000 0.998 136 V CB 1.674 33.500 31.823 0.005 0.000 1.042 136 V HN 0.681 nan 8.190 nan 0.000 0.433 137 G N 0.567 109.369 108.800 0.004 0.000 2.365 137 G HA2 0.478 4.438 3.960 0.000 0.000 0.249 137 G HA3 0.478 4.438 3.960 0.000 0.000 0.249 137 G C 0.967 175.869 174.900 0.004 0.000 1.288 137 G CA 0.111 45.213 45.100 0.003 0.000 0.887 137 G HN 1.665 nan 8.290 nan 0.000 0.524 138 A N 2.193 125.015 122.820 0.004 0.000 1.972 138 A HA -0.043 4.278 4.320 0.000 0.000 0.219 138 A C 1.911 179.498 177.584 0.004 0.000 1.169 138 A CA 1.204 53.244 52.037 0.004 0.000 0.635 138 A CB 0.022 19.024 19.000 0.004 0.000 0.810 138 A HN 0.519 nan 8.150 nan 0.000 0.446 139 Q N -0.108 119.694 119.800 0.003 0.000 2.165 139 Q HA 0.102 4.443 4.340 0.000 0.000 0.245 139 Q C -0.986 175.015 176.000 0.003 0.000 0.841 139 Q CA -0.162 55.643 55.803 0.003 0.000 1.078 139 Q CB 0.148 28.888 28.738 0.003 0.000 1.169 139 Q HN 0.716 nan 8.270 nan 0.000 0.475 140 D N 0.873 121.274 120.400 0.003 0.000 2.346 140 D HA -0.012 4.628 4.640 0.000 0.000 0.260 140 D C 1.284 177.585 176.300 0.001 0.000 1.252 140 D CA 0.115 54.116 54.000 0.002 0.000 0.895 140 D CB 0.910 41.711 40.800 0.002 0.000 1.097 140 D HN -0.210 nan 8.370 nan 0.000 0.489 141 K N 3.580 123.981 120.400 0.001 0.000 2.077 141 K HA -0.292 4.028 4.320 0.000 0.000 0.213 141 K C 1.558 178.157 176.600 -0.001 0.000 1.051 141 K CA 2.093 58.381 56.287 0.001 0.000 0.929 141 K CB -0.131 32.370 32.500 0.000 0.000 0.715 141 K HN 0.662 nan 8.250 nan 0.000 0.451 142 E N -0.472 119.727 120.200 -0.001 0.000 2.023 142 E HA -0.218 4.132 4.350 0.000 0.000 0.196 142 E C 1.980 178.579 176.600 -0.003 0.000 1.003 142 E CA 1.673 58.071 56.400 -0.003 0.000 0.809 142 E CB -0.267 29.431 29.700 -0.003 0.000 0.755 142 E HN 0.346 nan 8.360 nan 0.000 0.449 143 I N 0.596 121.166 120.570 -0.001 0.000 2.614 143 I HA -0.186 3.984 4.170 0.000 0.000 0.258 143 I C 1.892 178.009 176.117 0.001 0.000 1.189 143 I CA 0.641 61.941 61.300 0.000 0.000 1.462 143 I CB -0.056 37.945 38.000 0.002 0.000 1.092 143 I HN 0.204 nan 8.210 nan 0.000 0.442 144 L N 0.057 121.281 121.223 0.001 0.000 2.093 144 L HA -0.158 4.182 4.340 0.000 0.000 0.208 144 L C 2.664 179.535 176.870 0.001 0.000 1.085 144 L CA 2.357 57.198 54.840 0.002 0.000 0.755 144 L CB -1.541 40.519 42.059 0.002 0.000 0.904 144 L HN 0.480 nan 8.230 nan 0.000 0.435 145 T N -4.848 109.705 114.554 -0.002 0.000 3.014 145 T HA -0.074 4.276 4.350 0.000 0.000 0.263 145 T C 1.900 176.596 174.700 -0.006 0.000 1.078 145 T CA 0.496 62.594 62.100 -0.004 0.000 1.135 145 T CB -0.082 68.782 68.868 -0.006 0.000 0.895 145 T HN 0.184 nan 8.240 nan 0.000 0.480 146 K N 0.508 120.905 120.400 -0.006 0.000 2.103 146 K HA 0.129 4.449 4.320 0.000 0.000 0.204 146 K C 2.115 178.714 176.600 -0.003 0.000 1.052 146 K CA 0.818 57.100 56.287 -0.008 0.000 0.945 146 K CB -0.131 32.366 32.500 -0.006 0.000 0.722 146 K HN 0.258 nan 8.250 nan 0.000 0.443 147 I N 1.242 121.812 120.570 0.001 0.000 2.202 147 I HA -0.192 3.978 4.170 0.000 0.000 0.242 147 I C 2.496 178.617 176.117 0.007 0.000 1.091 147 I CA 1.149 62.452 61.300 0.006 0.000 1.368 147 I CB -1.315 36.689 38.000 0.007 0.000 1.058 147 I HN 0.085 nan 8.210 nan 0.000 0.410 148 A N 0.951 123.774 122.820 0.004 0.000 1.851 148 A HA -0.234 4.086 4.320 0.000 0.000 0.216 148 A C 2.408 179.994 177.584 0.004 0.000 1.195 148 A CA 1.925 53.964 52.037 0.004 0.000 0.622 148 A CB -0.674 18.327 19.000 0.002 0.000 0.831 148 A HN 0.333 nan 8.150 nan 0.000 0.444 149 M N -0.972 118.627 119.600 -0.002 0.000 2.132 149 M HA -0.123 4.357 4.480 0.000 0.000 0.263 149 M C 2.275 178.573 176.300 -0.004 0.000 1.065 149 M CA 1.915 57.210 55.300 -0.008 0.000 1.122 149 M CB -0.740 31.847 32.600 -0.021 0.000 1.365 149 M HN 0.474 nan 8.290 nan 0.000 0.411 150 T N -0.139 114.415 114.554 -0.000 0.000 2.720 150 T HA -0.160 4.190 4.350 0.000 0.000 0.268 150 T C 1.955 176.678 174.700 0.038 0.000 1.037 150 T CA 1.917 64.027 62.100 0.016 0.000 1.144 150 T CB -0.318 68.562 68.868 0.019 0.000 0.864 150 T HN 0.395 nan 8.240 nan 0.000 0.444 151 S N 0.515 116.232 115.700 0.028 0.000 2.368 151 S HA -0.038 4.433 4.470 0.000 0.000 0.225 151 S C 2.035 176.656 174.600 0.035 0.000 1.030 151 S CA 0.876 59.094 58.200 0.030 0.000 0.999 151 S CB -0.482 62.730 63.200 0.020 0.000 0.844 151 S HN 0.471 nan 8.310 nan 0.000 0.459 152 I N 1.534 122.121 120.570 0.029 0.000 2.315 152 I HA -0.090 4.081 4.170 0.000 0.000 0.248 152 I C 1.291 177.437 176.117 0.049 0.000 1.117 152 I CA 0.881 62.199 61.300 0.030 0.000 1.404 152 I CB -0.904 37.107 38.000 0.018 0.000 1.071 152 I HN 0.421 nan 8.210 nan 0.000 0.419 153 T N -0.465 114.127 114.554 0.063 0.000 2.932 153 T HA 0.307 4.658 4.350 0.000 0.000 0.312 153 T C 1.148 175.950 174.700 0.169 0.000 1.071 153 T CA 0.115 62.287 62.100 0.121 0.000 1.128 153 T CB 1.238 70.184 68.868 0.130 0.000 0.984 153 T HN 0.618 nan 8.240 nan 0.000 0.549 154 G N 1.399 110.322 108.800 0.205 0.000 2.157 154 G HA2 -0.205 3.755 3.960 0.000 0.000 0.248 154 G HA3 -0.205 3.755 3.960 0.000 0.000 0.248 154 G C -0.057 174.881 174.900 0.063 0.000 0.979 154 G CA 0.381 45.553 45.100 0.120 0.000 0.650 154 G HN 0.934 nan 8.290 nan 0.000 0.529 155 K N -0.902 119.537 120.400 0.066 0.000 2.295 155 K HA 0.611 4.931 4.320 0.000 0.000 0.239 155 K C 1.559 178.184 176.600 0.042 0.000 0.991 155 K CA -0.512 55.801 56.287 0.042 0.000 0.845 155 K CB 1.343 33.865 32.500 0.037 0.000 1.197 155 K HN 0.157 nan 8.250 nan 0.000 0.441 156 G N 0.419 109.238 108.800 0.032 0.000 2.432 156 G HA2 -0.246 3.714 3.960 0.000 0.000 0.219 156 G HA3 -0.246 3.714 3.960 0.000 0.000 0.219 156 G C 1.223 176.141 174.900 0.029 0.000 1.135 156 G CA 1.068 46.186 45.100 0.030 0.000 0.767 156 G HN 0.614 nan 8.290 nan 0.000 0.550 157 A N 1.430 124.267 122.820 0.028 0.000 2.216 157 A HA 0.066 4.386 4.320 0.000 0.000 0.214 157 A C 2.095 179.693 177.584 0.023 0.000 1.160 157 A CA 1.552 53.604 52.037 0.024 0.000 0.725 157 A CB -0.398 18.615 19.000 0.022 0.000 0.784 157 A HN 0.663 nan 8.150 nan 0.000 0.472 158 E N 0.023 120.240 120.200 0.029 0.000 2.333 158 E HA -0.235 4.115 4.350 0.000 0.000 0.198 158 E C 1.755 178.364 176.600 0.014 0.000 1.007 158 E CA 1.051 57.467 56.400 0.025 0.000 0.845 158 E CB -0.212 29.515 29.700 0.045 0.000 0.766 158 E HN 0.377 nan 8.360 nan 0.000 0.507 159 K N 1.282 121.692 120.400 0.017 0.000 2.074 159 K HA -0.127 4.193 4.320 0.000 0.000 0.209 159 K C 1.179 177.781 176.600 0.005 0.000 1.048 159 K CA 1.682 57.976 56.287 0.011 0.000 0.926 159 K CB -0.143 32.365 32.500 0.014 0.000 0.713 159 K HN 0.262 nan 8.250 nan 0.000 0.444 160 A N 1.049 123.872 122.820 0.006 0.000 2.676 160 A HA 0.117 4.437 4.320 0.000 0.000 0.297 160 A C 1.216 178.801 177.584 0.002 0.000 1.132 160 A CA -0.265 51.774 52.037 0.003 0.000 0.972 160 A CB -0.062 18.942 19.000 0.006 0.000 1.197 160 A HN 0.383 nan 8.150 nan 0.000 0.524 161 K N 0.028 120.428 120.400 -0.001 0.000 2.281 161 K HA -0.201 4.120 4.320 0.000 0.000 0.203 161 K C 0.817 177.414 176.600 -0.006 0.000 1.046 161 K CA 1.925 58.211 56.287 -0.003 0.000 0.938 161 K CB -0.099 32.396 32.500 -0.008 0.000 0.737 161 K HN 0.333 nan 8.250 nan 0.000 0.458 162 E N 1.444 121.638 120.200 -0.009 0.000 2.072 162 E HA -0.055 4.295 4.350 0.000 0.000 0.190 162 E C 1.744 178.342 176.600 -0.004 0.000 0.982 162 E CA 1.244 57.639 56.400 -0.009 0.000 0.803 162 E CB 0.060 29.753 29.700 -0.012 0.000 0.755 162 E HN 0.356 nan 8.360 nan 0.000 0.453 163 K N -0.034 120.366 120.400 -0.001 0.000 2.103 163 K HA -0.057 4.264 4.320 0.000 0.000 0.204 163 K C 1.779 178.381 176.600 0.004 0.000 1.052 163 K CA 0.621 56.909 56.287 0.002 0.000 0.945 163 K CB -0.042 32.460 32.500 0.004 0.000 0.722 163 K HN 0.014 nan 8.250 nan 0.000 0.443 164 L N 0.891 122.116 121.223 0.004 0.000 2.056 164 L HA -0.099 4.241 4.340 0.000 0.000 0.207 164 L C 2.364 179.237 176.870 0.005 0.000 1.078 164 L CA 1.645 56.488 54.840 0.006 0.000 0.749 164 L CB -0.936 41.127 42.059 0.007 0.000 0.901 164 L HN 0.121 nan 8.230 nan 0.000 0.433 165 A N -0.959 121.862 122.820 0.002 0.000 1.933 165 A HA -0.226 4.094 4.320 0.000 0.000 0.218 165 A C 2.300 179.885 177.584 0.002 0.000 1.175 165 A CA 1.645 53.682 52.037 0.001 0.000 0.628 165 A CB -0.488 18.511 19.000 -0.002 0.000 0.814 165 A HN 0.390 nan 8.150 nan 0.000 0.444 166 E N 0.306 120.507 120.200 0.001 0.000 2.077 166 E HA -0.145 4.206 4.350 0.000 0.000 0.193 166 E C 1.695 178.298 176.600 0.005 0.000 0.989 166 E CA 1.488 57.889 56.400 0.002 0.000 0.800 166 E CB -0.366 29.335 29.700 0.002 0.000 0.746 166 E HN 0.647 nan 8.360 nan 0.000 0.452 167 I N -0.310 120.264 120.570 0.006 0.000 2.179 167 I HA -0.232 3.938 4.170 0.000 0.000 0.242 167 I C 1.924 178.046 176.117 0.007 0.000 1.088 167 I CA 0.701 62.005 61.300 0.008 0.000 1.357 167 I CB -0.149 37.857 38.000 0.010 0.000 1.051 167 I HN 0.158 nan 8.210 nan 0.000 0.409 168 I N -0.305 120.269 120.570 0.006 0.000 2.353 168 I HA -0.176 3.994 4.170 0.000 0.000 0.248 168 I C 2.295 178.415 176.117 0.005 0.000 1.119 168 I CA 1.152 62.455 61.300 0.005 0.000 1.417 168 I CB -0.271 37.732 38.000 0.005 0.000 1.078 168 I HN -0.059 nan 8.210 nan 0.000 0.421 169 V N 0.151 120.068 119.914 0.005 0.000 2.379 169 V HA -0.185 3.935 4.120 0.000 0.000 0.245 169 V C 2.439 178.536 176.094 0.005 0.000 1.044 169 V CA 1.490 63.792 62.300 0.004 0.000 1.036 169 V CB -0.564 31.261 31.823 0.003 0.000 0.664 169 V HN 0.359 nan 8.190 nan 0.000 0.453 170 E N 0.374 120.578 120.200 0.006 0.000 2.106 170 E HA -0.118 4.232 4.350 0.000 0.000 0.192 170 E C 2.348 178.953 176.600 0.008 0.000 0.984 170 E CA 1.388 57.792 56.400 0.007 0.000 0.806 170 E CB -0.477 29.228 29.700 0.008 0.000 0.750 170 E HN 0.553 nan 8.360 nan 0.000 0.458 171 A N 1.003 123.828 122.820 0.008 0.000 1.902 171 A HA -0.135 4.186 4.320 0.000 0.000 0.217 171 A C 2.614 180.201 177.584 0.006 0.000 1.181 171 A CA 1.479 53.520 52.037 0.007 0.000 0.623 171 A CB -0.659 18.345 19.000 0.006 0.000 0.818 171 A HN 0.132 nan 8.150 nan 0.000 0.443 172 V N -0.270 119.647 119.914 0.005 0.000 2.270 172 V HA -0.202 3.918 4.120 0.000 0.000 0.245 172 V C 2.772 178.869 176.094 0.006 0.000 1.043 172 V CA 2.292 64.595 62.300 0.005 0.000 1.014 172 V CB -0.868 30.957 31.823 0.004 0.000 0.645 172 V HN 0.547 nan 8.190 nan 0.000 0.447 173 S N 0.214 115.918 115.700 0.007 0.000 2.400 173 S HA -0.203 4.267 4.470 0.000 0.000 0.232 173 S C 2.170 176.776 174.600 0.010 0.000 1.025 173 S CA 1.446 59.651 58.200 0.007 0.000 0.993 173 S CB -0.479 62.725 63.200 0.008 0.000 0.808 173 S HN 0.656 nan 8.310 nan 0.000 0.478 174 A N 0.980 123.807 122.820 0.011 0.000 1.898 174 A HA -0.033 4.287 4.320 0.000 0.000 0.216 174 A C 2.330 179.923 177.584 0.015 0.000 1.181 174 A CA 1.738 53.785 52.037 0.016 0.000 0.620 174 A CB -0.610 18.400 19.000 0.016 0.000 0.819 174 A HN 0.587 nan 8.150 nan 0.000 0.442 175 V N -3.819 116.101 119.914 0.010 0.000 3.565 175 V HA 0.113 4.234 4.120 0.000 0.000 0.260 175 V C 1.957 178.053 176.094 0.005 0.000 1.231 175 V CA 1.033 63.337 62.300 0.007 0.000 1.100 175 V CB -0.238 31.587 31.823 0.003 0.000 0.807 175 V HN 0.161 nan 8.190 nan 0.000 0.454 176 V N 0.832 120.749 119.914 0.004 0.000 2.626 176 V HA -0.092 4.028 4.120 0.000 0.000 0.252 176 V C 1.573 177.668 176.094 0.002 0.000 1.067 176 V CA 2.478 64.780 62.300 0.003 0.000 1.081 176 V CB -0.537 31.288 31.823 0.003 0.000 0.686 176 V HN 0.854 nan 8.190 nan 0.000 0.468 177 D N -0.727 119.674 120.400 0.003 0.000 4.438 177 D HA -0.217 4.423 4.640 0.000 0.000 0.158 177 D C 0.592 176.891 176.300 -0.001 0.000 0.686 177 D CA 1.920 55.920 54.000 0.000 0.000 1.183 177 D CB -1.257 39.541 40.800 -0.003 0.000 0.623 177 D HN 0.574 nan 8.370 nan 0.000 0.521 178 D N 1.338 121.736 120.400 -0.003 0.000 2.398 178 D HA 0.221 4.861 4.640 0.000 0.000 0.247 178 D C -0.153 176.147 176.300 -0.001 0.000 1.227 178 D CA 0.130 54.128 54.000 -0.003 0.000 0.980 178 D CB 0.518 41.316 40.800 -0.004 0.000 1.106 178 D HN 0.287 nan 8.370 nan 0.000 0.493 179 E N 0.147 120.347 120.200 -0.001 0.000 2.136 179 E HA 0.502 4.852 4.350 0.000 0.000 0.246 179 E C -0.815 175.786 176.600 0.001 0.000 1.017 179 E CA -0.530 55.870 56.400 0.001 0.000 0.883 179 E CB -0.458 29.242 29.700 0.001 0.000 1.199 179 E HN 0.496 nan 8.360 nan 0.000 0.447 180 G N 2.764 111.565 108.800 0.001 0.000 2.384 180 G HA2 0.169 4.129 3.960 0.000 0.000 0.300 180 G HA3 0.169 4.129 3.960 0.000 0.000 0.300 180 G C -1.857 173.044 174.900 0.001 0.000 1.582 180 G CA -0.800 44.300 45.100 0.001 0.000 0.875 180 G HN 0.150 nan 8.290 nan 0.000 0.628 181 K N 0.903 121.303 120.400 0.000 0.000 2.588 181 K HA 0.575 4.895 4.320 0.000 0.000 0.250 181 K C -1.578 175.022 176.600 0.000 0.000 0.972 181 K CA -0.632 55.655 56.287 0.000 0.000 0.821 181 K CB 2.119 34.619 32.500 -0.000 0.000 1.249 181 K HN 0.940 nan 8.250 nan 0.000 0.442 182 V N 3.247 123.162 119.914 0.000 0.000 2.483 182 V HA 0.417 4.538 4.120 0.000 0.000 0.295 182 V C -1.001 175.092 176.094 -0.001 0.000 1.035 182 V CA -0.499 61.801 62.300 0.000 0.000 0.896 182 V CB 1.587 33.411 31.823 0.001 0.000 0.986 182 V HN 0.781 nan 8.190 nan 0.000 0.447 183 D N 4.672 125.071 120.400 -0.002 0.000 2.329 183 D HA 0.321 4.961 4.640 0.000 0.000 0.232 183 D C 0.862 177.159 176.300 -0.005 0.000 1.088 183 D CA -0.251 53.746 54.000 -0.004 0.000 0.835 183 D CB 1.829 42.626 40.800 -0.006 0.000 1.078 183 D HN 0.594 nan 8.370 nan 0.000 0.495 184 K N 2.232 122.629 120.400 -0.005 0.000 2.281 184 K HA -0.167 4.153 4.320 0.000 0.000 0.203 184 K C 0.890 177.484 176.600 -0.010 0.000 1.046 184 K CA 0.917 57.200 56.287 -0.006 0.000 0.938 184 K CB 0.206 32.703 32.500 -0.005 0.000 0.737 184 K HN 0.394 nan 8.250 nan 0.000 0.458 185 D N 0.717 121.110 120.400 -0.012 0.000 2.269 185 D HA -0.071 4.569 4.640 0.000 0.000 0.208 185 D C 1.327 177.615 176.300 -0.020 0.000 0.963 185 D CA 0.658 54.648 54.000 -0.017 0.000 0.864 185 D CB 0.175 40.965 40.800 -0.018 0.000 0.936 185 D HN 0.103 nan 8.370 nan 0.000 0.505 186 L N -0.151 121.063 121.223 -0.015 0.000 2.558 186 L HA 0.185 4.526 4.340 0.000 0.000 0.225 186 L C 0.312 177.174 176.870 -0.013 0.000 1.128 186 L CA 0.214 55.046 54.840 -0.014 0.000 0.868 186 L CB 0.219 42.273 42.059 -0.009 0.000 1.006 186 L HN 0.021 nan 8.230 nan 0.000 0.454 187 I N 0.550 121.112 120.570 -0.012 0.000 2.502 187 I HA 0.176 4.346 4.170 0.000 0.000 0.276 187 I C 0.076 176.184 176.117 -0.015 0.000 1.057 187 I CA -0.412 60.881 61.300 -0.010 0.000 1.163 187 I CB 1.003 39.000 38.000 -0.005 0.000 1.288 187 I HN -0.086 nan 8.210 nan 0.000 0.479 188 K N 6.203 126.590 120.400 -0.022 0.000 2.368 188 K HA 0.292 4.613 4.320 0.000 0.000 0.282 188 K C -0.399 176.186 176.600 -0.024 0.000 1.035 188 K CA -0.363 55.907 56.287 -0.029 0.000 0.973 188 K CB 0.970 33.443 32.500 -0.045 0.000 0.957 188 K HN 0.440 nan 8.250 nan 0.000 0.474 189 I N 4.265 124.822 120.570 -0.022 0.000 2.287 189 I HA 0.145 4.316 4.170 0.000 0.000 0.290 189 I C 0.240 176.344 176.117 -0.023 0.000 1.069 189 I CA -0.567 60.723 61.300 -0.017 0.000 1.237 189 I CB 0.503 38.496 38.000 -0.011 0.000 1.418 189 I HN 0.506 nan 8.210 nan 0.000 0.481 190 E N 7.300 127.485 120.200 -0.024 0.000 2.183 190 E HA 0.560 4.910 4.350 0.000 0.000 0.271 190 E C -0.898 175.692 176.600 -0.017 0.000 0.919 190 E CA -0.713 55.668 56.400 -0.031 0.000 0.781 190 E CB 1.394 31.064 29.700 -0.051 0.000 1.140 190 E HN 0.550 nan 8.360 nan 0.000 0.402 191 K N 2.244 122.634 120.400 -0.017 0.000 2.427 191 K HA 0.686 5.006 4.320 0.000 0.000 0.252 191 K C -1.194 175.399 176.600 -0.010 0.000 0.931 191 K CA -1.169 55.112 56.287 -0.010 0.000 0.793 191 K CB 1.905 34.399 32.500 -0.011 0.000 1.211 191 K HN 0.216 nan 8.250 nan 0.000 0.426 192 K N 1.449 121.848 120.400 -0.002 0.000 2.581 192 K HA 0.188 4.509 4.320 0.000 0.000 0.249 192 K C -1.224 175.378 176.600 0.003 0.000 0.966 192 K CA -0.366 55.921 56.287 0.001 0.000 0.811 192 K CB 2.256 34.764 32.500 0.014 0.000 1.223 192 K HN 0.696 nan 8.250 nan 0.000 0.438 193 S N 2.571 118.268 115.700 -0.006 0.000 2.560 193 S HA 0.595 5.065 4.470 0.000 0.000 0.284 193 S C 0.016 174.619 174.600 0.005 0.000 1.327 193 S CA 1.237 59.434 58.200 -0.005 0.000 1.055 193 S CB -0.129 63.062 63.200 -0.015 0.000 0.868 193 S HN 1.044 nan 8.310 nan 0.000 0.506 194 G N 1.968 110.773 108.800 0.008 0.000 2.348 194 G HA2 0.532 4.492 3.960 0.000 0.000 0.606 194 G HA3 0.532 4.492 3.960 0.000 0.000 0.606 194 G C -0.180 174.728 174.900 0.014 0.000 1.466 194 G CA -0.032 45.075 45.100 0.012 0.000 0.950 194 G HN 2.070 nan 8.290 nan 0.000 0.657 195 A N -0.614 122.213 122.820 0.013 0.000 6.088 195 A HA 0.419 4.739 4.320 0.000 0.000 0.261 195 A C 1.266 178.857 177.584 0.013 0.000 2.138 195 A CA 1.981 54.025 52.037 0.012 0.000 0.708 195 A CB -1.808 17.200 19.000 0.014 0.000 1.068 195 A HN 2.916 nan 8.150 nan 0.000 0.364 196 S N -1.656 114.051 115.700 0.013 0.000 2.759 196 S HA 0.733 5.203 4.470 0.000 0.000 0.310 196 S C 1.057 175.665 174.600 0.014 0.000 1.123 196 S CA 0.084 58.292 58.200 0.013 0.000 0.959 196 S CB 1.317 64.524 63.200 0.011 0.000 1.172 196 S HN 1.918 nan 8.310 nan 0.000 0.539 197 I N 0.518 121.096 120.570 0.014 0.000 2.567 197 I HA -0.137 4.033 4.170 0.000 0.000 0.257 197 I C 1.070 177.195 176.117 0.012 0.000 1.184 197 I CA 1.441 62.749 61.300 0.014 0.000 1.451 197 I CB -0.232 37.777 38.000 0.015 0.000 1.089 197 I HN 0.634 nan 8.210 nan 0.000 0.441 198 D N 0.852 121.258 120.400 0.011 0.000 2.219 198 D HA -0.159 4.481 4.640 0.000 0.000 0.205 198 D C 1.269 177.575 176.300 0.010 0.000 0.970 198 D CA 1.221 55.227 54.000 0.009 0.000 0.851 198 D CB -0.177 40.627 40.800 0.007 0.000 0.943 198 D HN 0.517 nan 8.370 nan 0.000 0.488 199 D N -0.185 120.222 120.400 0.012 0.000 2.363 199 D HA -0.027 4.614 4.640 0.000 0.000 0.220 199 D C 0.251 176.562 176.300 0.019 0.000 0.994 199 D CA 0.401 54.410 54.000 0.014 0.000 0.890 199 D CB 0.076 40.885 40.800 0.015 0.000 0.906 199 D HN -0.055 nan 8.370 nan 0.000 0.530 200 T N 1.802 116.368 114.554 0.019 0.000 2.908 200 T HA 0.130 4.481 4.350 0.000 0.000 0.301 200 T C 0.214 174.927 174.700 0.022 0.000 1.019 200 T CA 0.262 62.375 62.100 0.021 0.000 1.152 200 T CB 0.306 69.184 68.868 0.017 0.000 0.966 200 T HN 0.295 nan 8.240 nan 0.000 0.540 201 E N 1.870 122.087 120.200 0.029 0.000 2.412 201 E HA 0.582 4.932 4.350 0.000 0.000 0.279 201 E C -1.621 175.001 176.600 0.036 0.000 0.984 201 E CA -1.157 55.261 56.400 0.030 0.000 0.788 201 E CB 1.169 30.888 29.700 0.033 0.000 1.277 201 E HN 0.308 nan 8.360 nan 0.000 0.455 202 L N 1.785 123.027 121.223 0.032 0.000 2.307 202 L HA 0.514 4.855 4.340 0.000 0.000 0.282 202 L C -1.122 175.775 176.870 0.045 0.000 1.051 202 L CA -0.440 54.419 54.840 0.032 0.000 0.804 202 L CB 1.069 43.141 42.059 0.022 0.000 1.197 202 L HN 0.598 nan 8.230 nan 0.000 0.431 203 I N 5.506 126.107 120.570 0.052 0.000 2.382 203 I HA 0.261 4.431 4.170 0.000 0.000 0.285 203 I C 0.029 176.177 176.117 0.052 0.000 1.007 203 I CA -0.695 60.650 61.300 0.076 0.000 1.142 203 I CB 1.149 39.222 38.000 0.122 0.000 1.289 203 I HN 0.595 nan 8.210 nan 0.000 0.453 204 K N 5.876 126.304 120.400 0.046 0.000 2.199 204 K HA 0.549 4.870 4.320 0.000 0.000 0.226 204 K C 0.186 176.807 176.600 0.036 0.000 1.237 204 K CA -0.125 56.181 56.287 0.032 0.000 1.170 204 K CB -0.079 32.434 32.500 0.022 0.000 1.418 204 K HN 0.854 nan 8.250 nan 0.000 0.255 205 G N 0.079 108.898 108.800 0.031 0.000 2.368 205 G HA2 0.142 4.102 3.960 0.000 0.000 0.269 205 G HA3 0.142 4.102 3.960 0.000 0.000 0.269 205 G C -1.714 173.186 174.900 0.000 0.000 1.291 205 G CA -0.708 44.406 45.100 0.023 0.000 0.903 205 G HN 0.145 nan 8.290 nan 0.000 0.483 206 V N 0.627 120.529 119.914 -0.020 0.000 2.540 206 V HA 0.674 4.794 4.120 0.000 0.000 0.302 206 V C -0.638 175.380 176.094 -0.126 0.000 1.035 206 V CA -0.655 61.601 62.300 -0.074 0.000 0.873 206 V CB 1.454 33.218 31.823 -0.099 0.000 0.992 206 V HN 0.885 nan 8.190 nan 0.000 0.428 207 L N 6.750 127.853 121.223 -0.200 0.000 2.265 207 L HA 0.673 5.013 4.340 0.000 0.000 0.289 207 L C -0.455 176.259 176.870 -0.260 0.000 1.033 207 L CA 0.152 54.765 54.840 -0.379 0.000 0.814 207 L CB 1.494 43.231 42.059 -0.535 0.000 1.203 207 L HN 0.445 nan 8.230 nan 0.000 0.423 208 V N 4.488 124.270 119.914 -0.220 0.000 2.472 208 V HA 0.313 4.433 4.120 0.000 0.000 0.290 208 V C -0.219 175.821 176.094 -0.090 0.000 1.037 208 V CA -0.626 61.603 62.300 -0.118 0.000 0.908 208 V CB 1.608 33.407 31.823 -0.040 0.000 0.985 208 V HN 0.830 nan 8.190 nan 0.000 0.454 209 D N 3.600 123.963 120.400 -0.062 0.000 3.085 209 D HA 0.192 4.832 4.640 0.000 0.000 0.243 209 D C 0.057 176.356 176.300 -0.002 0.000 1.232 209 D CA -0.276 53.699 54.000 -0.042 0.000 0.913 209 D CB 0.115 40.891 40.800 -0.041 0.000 1.108 209 D HN 0.244 nan 8.370 nan 0.000 0.468 210 K N 0.519 120.932 120.400 0.023 0.000 2.439 210 K HA 0.423 4.743 4.320 0.000 0.000 0.260 210 K C 0.344 176.970 176.600 0.043 0.000 1.032 210 K CA -0.646 55.669 56.287 0.045 0.000 0.882 210 K CB 2.360 34.914 32.500 0.089 0.000 1.420 210 K HN 0.331 nan 8.250 nan 0.000 0.455 211 E N 0.645 120.862 120.200 0.029 0.000 2.393 211 E HA 0.402 4.752 4.350 0.000 0.000 0.265 211 E C -0.681 175.913 176.600 -0.009 0.000 0.941 211 E CA -0.909 55.501 56.400 0.017 0.000 0.801 211 E CB 1.157 30.865 29.700 0.013 0.000 1.313 211 E HN 0.209 nan 8.360 nan 0.000 0.435 212 R N 1.028 121.516 120.500 -0.019 0.000 2.351 212 R HA 0.103 4.443 4.340 0.000 0.000 0.318 212 R C 1.046 177.317 176.300 -0.049 0.000 1.055 212 R CA -0.103 55.968 56.100 -0.047 0.000 0.968 212 R CB 0.527 30.800 30.300 -0.044 0.000 0.974 212 R HN 0.516 nan 8.270 nan 0.000 0.439 213 V N 1.982 121.860 119.914 -0.061 0.000 2.688 213 V HA -0.155 3.965 4.120 0.000 0.000 0.256 213 V C 0.775 176.827 176.094 -0.069 0.000 1.084 213 V CA 1.916 64.183 62.300 -0.054 0.000 1.103 213 V CB 0.052 31.842 31.823 -0.055 0.000 0.688 213 V HN 0.726 nan 8.190 nan 0.000 0.480 214 S N -2.122 113.525 115.700 -0.088 0.000 2.526 214 S HA 0.667 5.137 4.470 0.000 0.000 0.293 214 S C 0.790 175.333 174.600 -0.094 0.000 1.092 214 S CA -0.168 57.961 58.200 -0.119 0.000 0.980 214 S CB 1.856 64.944 63.200 -0.188 0.000 1.048 214 S HN 0.481 nan 8.310 nan 0.000 0.483 215 A N 2.857 125.624 122.820 -0.088 0.000 2.070 215 A HA -0.056 4.264 4.320 0.000 0.000 0.220 215 A C 1.863 179.408 177.584 -0.066 0.000 1.159 215 A CA 1.613 53.612 52.037 -0.063 0.000 0.656 215 A CB -0.586 18.384 19.000 -0.050 0.000 0.800 215 A HN 0.888 nan 8.150 nan 0.000 0.453 216 Q N -1.112 118.631 119.800 -0.095 0.000 2.424 216 Q HA 0.177 4.517 4.340 0.000 0.000 0.204 216 Q C 0.396 176.355 176.000 -0.068 0.000 0.933 216 Q CA -0.140 55.614 55.803 -0.082 0.000 0.929 216 Q CB -0.065 28.607 28.738 -0.111 0.000 1.037 216 Q HN 0.670 nan 8.270 nan 0.000 0.511 217 M N 2.104 121.660 119.600 -0.074 0.000 2.242 217 M HA 0.259 4.740 4.480 0.000 0.000 0.344 217 M C -2.049 174.225 176.300 -0.042 0.000 1.140 217 M CA -1.947 53.318 55.300 -0.059 0.000 1.160 217 M CB 0.587 33.145 32.600 -0.069 0.000 1.491 217 M HN -0.062 nan 8.290 nan 0.000 0.459 218 P HA 0.013 nan 4.420 nan 0.000 0.266 218 P C -0.520 176.766 177.300 -0.024 0.000 1.193 218 P CA 0.288 63.374 63.100 -0.024 0.000 0.770 218 P CB 0.472 32.160 31.700 -0.019 0.000 0.836 219 K N 0.791 121.182 120.400 -0.015 0.000 2.367 219 K HA 0.104 4.424 4.320 0.000 0.000 0.194 219 K C 0.518 177.119 176.600 0.002 0.000 1.027 219 K CA 0.360 56.642 56.287 -0.007 0.000 1.075 219 K CB 0.365 32.862 32.500 -0.006 0.000 0.845 219 K HN 0.311 nan 8.250 nan 0.000 0.529 220 K N 1.192 121.591 120.400 -0.001 0.000 2.581 220 K HA 0.267 4.588 4.320 0.000 0.000 0.249 220 K C -1.816 174.785 176.600 0.003 0.000 0.966 220 K CA -0.467 55.823 56.287 0.004 0.000 0.811 220 K CB 1.985 34.484 32.500 -0.001 0.000 1.223 220 K HN -0.239 nan 8.250 nan 0.000 0.438 221 V N 3.121 123.040 119.914 0.010 0.000 2.531 221 V HA 0.431 4.551 4.120 0.000 0.000 0.301 221 V C -0.216 175.888 176.094 0.017 0.000 1.034 221 V CA -0.716 61.589 62.300 0.009 0.000 0.865 221 V CB 1.748 33.574 31.823 0.005 0.000 0.995 221 V HN 0.944 nan 8.190 nan 0.000 0.424 222 T N -0.122 114.439 114.554 0.012 0.000 2.925 222 T HA 0.589 4.939 4.350 0.000 0.000 0.285 222 T C 0.000 174.709 174.700 0.014 0.000 1.021 222 T CA -0.318 61.790 62.100 0.013 0.000 1.042 222 T CB 1.422 70.294 68.868 0.007 0.000 1.037 222 T HN 0.763 nan 8.240 nan 0.000 0.481 223 D N 0.180 120.589 120.400 0.016 0.000 2.699 223 D HA -0.137 4.503 4.640 0.000 0.000 0.239 223 D C 0.226 176.539 176.300 0.022 0.000 1.136 223 D CA 0.865 54.875 54.000 0.016 0.000 0.668 223 D CB -1.247 39.560 40.800 0.011 0.000 1.060 223 D HN 1.096 nan 8.370 nan 0.000 0.429 224 A N 1.477 124.315 122.820 0.030 0.000 2.425 224 A HA 0.454 4.774 4.320 0.000 0.000 0.249 224 A C 0.465 178.075 177.584 0.043 0.000 1.084 224 A CA -0.023 52.037 52.037 0.038 0.000 0.781 224 A CB 0.674 19.707 19.000 0.055 0.000 1.019 224 A HN 0.145 nan 8.150 nan 0.000 0.490 225 K N 2.777 123.201 120.400 0.040 0.000 2.404 225 K HA 0.377 4.697 4.320 0.000 0.000 0.257 225 K C -1.222 175.415 176.600 0.060 0.000 1.026 225 K CA -0.254 56.059 56.287 0.044 0.000 0.951 225 K CB 1.034 33.553 32.500 0.031 0.000 1.203 225 K HN 0.542 nan 8.250 nan 0.000 0.446 226 I N 2.203 122.826 120.570 0.088 0.000 2.371 226 I HA 0.180 4.351 4.170 0.000 0.000 0.290 226 I C 0.396 176.586 176.117 0.123 0.000 1.028 226 I CA -0.092 61.295 61.300 0.146 0.000 1.345 226 I CB 1.318 39.438 38.000 0.199 0.000 1.407 226 I HN 0.504 nan 8.210 nan 0.000 0.501 227 A N 7.581 130.482 122.820 0.134 0.000 2.330 227 A HA 0.854 5.174 4.320 0.000 0.000 0.327 227 A C -0.786 176.891 177.584 0.155 0.000 1.155 227 A CA -0.564 51.536 52.037 0.105 0.000 0.803 227 A CB 0.676 19.714 19.000 0.062 0.000 1.208 227 A HN 0.653 nan 8.150 nan 0.000 0.477 228 L N 3.476 124.765 121.223 0.110 0.000 2.345 228 L HA 0.469 4.809 4.340 0.000 0.000 0.274 228 L C -1.033 175.878 176.870 0.069 0.000 0.999 228 L CA -0.052 54.850 54.840 0.104 0.000 0.849 228 L CB 0.931 43.027 42.059 0.061 0.000 1.220 228 L HN 0.569 nan 8.230 nan 0.000 0.422 229 L N 2.878 124.146 121.223 0.074 0.000 2.365 229 L HA 0.420 4.761 4.340 0.000 0.000 0.273 229 L C 0.357 177.256 176.870 0.048 0.000 1.000 229 L CA -0.538 54.332 54.840 0.050 0.000 0.819 229 L CB 2.083 44.169 42.059 0.044 0.000 1.284 229 L HN 0.580 nan 8.230 nan 0.000 0.418 230 N N -0.241 118.480 118.700 0.034 0.000 2.205 230 N HA 0.020 4.760 4.740 0.000 0.000 0.201 230 N C 0.098 175.623 175.510 0.025 0.000 1.128 230 N CA -0.309 52.759 53.050 0.030 0.000 0.867 230 N CB 0.282 38.782 38.487 0.022 0.000 0.996 230 N HN 0.407 nan 8.380 nan 0.000 0.503 231 C N 1.660 120.974 119.300 0.024 0.000 2.499 231 C HA 0.763 5.223 4.460 0.000 0.000 0.386 231 C C 0.968 175.972 174.990 0.023 0.000 1.293 231 C CA -0.962 58.069 59.018 0.021 0.000 1.884 231 C CB -1.351 26.401 27.740 0.019 0.000 2.509 231 C HN 0.564 nan 8.230 nan 0.000 0.566 232 A N 6.341 129.173 122.820 0.021 0.000 2.540 232 A HA 0.360 4.681 4.320 0.000 0.000 0.239 232 A C 0.174 177.772 177.584 0.023 0.000 1.061 232 A CA 0.136 52.186 52.037 0.022 0.000 0.758 232 A CB -0.035 18.977 19.000 0.019 0.000 0.991 232 A HN 0.894 nan 8.150 nan 0.000 0.502 233 I N 2.364 122.949 120.570 0.025 0.000 2.257 233 I HA 0.232 4.402 4.170 0.000 0.000 0.290 233 I C 0.322 176.459 176.117 0.034 0.000 1.137 233 I CA 0.469 61.786 61.300 0.029 0.000 1.255 233 I CB -0.174 37.845 38.000 0.031 0.000 1.485 233 I HN 0.784 nan 8.210 nan 0.000 0.534 234 E N 5.073 125.291 120.200 0.030 0.000 2.317 234 E HA 0.326 4.676 4.350 0.000 0.000 0.270 234 E C -1.277 175.339 176.600 0.027 0.000 0.899 234 E CA -0.512 55.907 56.400 0.031 0.000 0.814 234 E CB 1.427 31.142 29.700 0.026 0.000 1.296 234 E HN 0.261 nan 8.360 nan 0.000 0.404 235 E N 2.724 122.943 120.200 0.032 0.000 2.256 235 E HA 0.250 4.600 4.350 0.000 0.000 0.268 235 E C -0.843 175.773 176.600 0.027 0.000 0.877 235 E CA -0.766 55.650 56.400 0.025 0.000 0.757 235 E CB 2.148 31.862 29.700 0.023 0.000 1.183 235 E HN 0.459 nan 8.360 nan 0.000 0.418 236 T N 1.560 116.126 114.554 0.020 0.000 2.934 236 T HA 0.327 4.677 4.350 0.000 0.000 0.306 236 T C 0.189 174.902 174.700 0.021 0.000 1.042 236 T CA 0.837 62.948 62.100 0.018 0.000 1.145 236 T CB 0.207 69.082 68.868 0.013 0.000 0.982 236 T HN 0.720 nan 8.240 nan 0.000 0.544 237 A N 2.552 125.387 122.820 0.024 0.000 2.435 237 A HA -0.089 4.231 4.320 0.000 0.000 0.686 237 A C 1.587 179.198 177.584 0.046 0.000 0.138 237 A CA 0.268 52.322 52.037 0.027 0.000 0.024 237 A CB -1.523 17.488 19.000 0.018 0.000 3.974 237 A HN 0.942 nan 8.150 nan 0.000 0.548 238 S N 0.115 115.854 115.700 0.064 0.000 2.383 238 S HA -0.130 4.340 4.470 0.000 0.000 0.227 238 S C 1.635 176.285 174.600 0.083 0.000 1.026 238 S CA 2.047 60.326 58.200 0.131 0.000 0.981 238 S CB -0.176 63.123 63.200 0.165 0.000 0.818 238 S HN 1.044 nan 8.310 nan 0.000 0.472 239 E N 0.738 120.952 120.200 0.024 0.000 2.106 239 E HA -0.037 4.313 4.350 0.000 0.000 0.192 239 E C 1.955 178.527 176.600 -0.046 0.000 0.984 239 E CA 1.262 57.642 56.400 -0.034 0.000 0.806 239 E CB -0.177 29.511 29.700 -0.020 0.000 0.750 239 E HN 0.401 nan 8.360 nan 0.000 0.458 240 M N -0.355 119.237 119.600 -0.014 0.000 2.200 240 M HA -0.014 4.466 4.480 0.000 0.000 0.265 240 M C 2.055 178.349 176.300 -0.010 0.000 1.066 240 M CA 0.788 56.080 55.300 -0.012 0.000 1.127 240 M CB -0.743 31.857 32.600 0.001 0.000 1.379 240 M HN 0.237 nan 8.290 nan 0.000 0.420 241 L N 0.621 121.851 121.223 0.012 0.000 2.179 241 L HA -0.068 4.272 4.340 0.000 0.000 0.208 241 L C 2.316 179.188 176.870 0.003 0.000 1.096 241 L CA 1.752 56.614 54.840 0.036 0.000 0.779 241 L CB -0.730 41.384 42.059 0.090 0.000 0.922 241 L HN 0.222 nan 8.230 nan 0.000 0.443 242 K N -0.644 119.696 120.400 -0.100 0.000 2.147 242 K HA -0.246 4.075 4.320 0.000 0.000 0.205 242 K C 1.803 178.278 176.600 -0.207 0.000 1.049 242 K CA 1.698 57.772 56.287 -0.355 0.000 0.936 242 K CB -0.155 31.896 32.500 -0.747 0.000 0.722 242 K HN 0.396 nan 8.250 nan 0.000 0.446 243 D N -0.076 120.249 120.400 -0.125 0.000 2.144 243 D HA -0.163 4.477 4.640 0.000 0.000 0.199 243 D C 1.836 178.105 176.300 -0.051 0.000 0.984 243 D CA 1.190 55.142 54.000 -0.080 0.000 0.834 243 D CB 0.169 40.938 40.800 -0.053 0.000 0.955 243 D HN 0.137 nan 8.370 nan 0.000 0.465 244 M N -0.095 119.484 119.600 -0.034 0.000 2.132 244 M HA -0.082 4.399 4.480 0.000 0.000 0.263 244 M C 2.297 178.593 176.300 -0.008 0.000 1.065 244 M CA 0.652 55.945 55.300 -0.011 0.000 1.122 244 M CB -0.798 31.805 32.600 0.005 0.000 1.365 244 M HN 0.030 nan 8.290 nan 0.000 0.411 245 V N 0.657 120.565 119.914 -0.011 0.000 2.343 245 V HA -0.234 3.887 4.120 0.000 0.000 0.247 245 V C 2.715 178.800 176.094 -0.015 0.000 1.051 245 V CA 1.870 64.172 62.300 0.003 0.000 1.036 245 V CB -1.357 30.483 31.823 0.028 0.000 0.654 245 V HN 0.485 nan 8.190 nan 0.000 0.451 246 A N -0.166 122.626 122.820 -0.046 0.000 1.933 246 A HA -0.237 4.083 4.320 0.000 0.000 0.218 246 A C 2.186 179.756 177.584 -0.023 0.000 1.175 246 A CA 1.959 53.971 52.037 -0.042 0.000 0.628 246 A CB -0.450 18.511 19.000 -0.064 0.000 0.814 246 A HN 0.559 nan 8.150 nan 0.000 0.444 247 E N 0.283 120.471 120.200 -0.020 0.000 2.106 247 E HA -0.098 4.252 4.350 0.000 0.000 0.192 247 E C 1.665 178.264 176.600 -0.002 0.000 0.984 247 E CA 1.258 57.652 56.400 -0.010 0.000 0.806 247 E CB -0.355 29.340 29.700 -0.008 0.000 0.750 247 E HN 0.645 nan 8.360 nan 0.000 0.458 248 I N 0.432 121.002 120.570 0.000 0.000 2.252 248 I HA -0.211 3.959 4.170 0.000 0.000 0.245 248 I C 2.511 178.631 176.117 0.005 0.000 1.102 248 I CA 0.917 62.221 61.300 0.006 0.000 1.385 248 I CB -0.325 37.680 38.000 0.009 0.000 1.064 248 I HN 0.068 nan 8.210 nan 0.000 0.414 249 K N 1.754 122.155 120.400 0.002 0.000 2.097 249 K HA -0.146 4.174 4.320 0.000 0.000 0.206 249 K C 2.099 178.700 176.600 0.002 0.000 1.049 249 K CA 1.746 58.035 56.287 0.003 0.000 0.933 249 K CB -0.220 32.281 32.500 0.001 0.000 0.717 249 K HN 0.292 nan 8.250 nan 0.000 0.442 250 A N 0.560 123.379 122.820 -0.001 0.000 1.978 250 A HA -0.111 4.209 4.320 0.000 0.000 0.220 250 A C 2.248 179.834 177.584 0.003 0.000 1.170 250 A CA 2.051 54.087 52.037 -0.001 0.000 0.636 250 A CB -0.525 18.472 19.000 -0.004 0.000 0.810 250 A HN 0.380 nan 8.150 nan 0.000 0.448 251 S N -1.814 113.889 115.700 0.005 0.000 2.447 251 S HA 0.232 4.703 4.470 0.000 0.000 0.233 251 S C 1.550 176.156 174.600 0.010 0.000 1.006 251 S CA 1.244 59.449 58.200 0.009 0.000 0.957 251 S CB -0.148 63.059 63.200 0.012 0.000 0.773 251 S HN 1.695 nan 8.310 nan 0.000 0.507 252 G N 0.728 109.533 108.800 0.009 0.000 2.163 252 G HA2 -0.106 3.854 3.960 0.000 0.000 0.213 252 G HA3 -0.106 3.854 3.960 0.000 0.000 0.213 252 G C 0.120 175.028 174.900 0.012 0.000 0.991 252 G CA -0.176 44.930 45.100 0.010 0.000 0.653 252 G HN 0.835 nan 8.290 nan 0.000 0.518 253 A N 0.043 122.871 122.820 0.013 0.000 2.540 253 A HA 0.564 4.884 4.320 0.000 0.000 0.239 253 A C 1.188 178.775 177.584 0.006 0.000 1.061 253 A CA 1.036 53.082 52.037 0.015 0.000 0.758 253 A CB 0.169 19.178 19.000 0.015 0.000 0.991 253 A HN 0.375 nan 8.150 nan 0.000 0.502 254 N N 0.616 119.319 118.700 0.005 0.000 2.382 254 N HA 0.116 4.856 4.740 0.000 0.000 0.200 254 N C -0.657 174.836 175.510 -0.028 0.000 1.122 254 N CA 0.524 53.571 53.050 -0.006 0.000 0.870 254 N CB 0.904 39.392 38.487 0.003 0.000 1.176 254 N HN 0.389 nan 8.380 nan 0.000 0.474 255 V N 2.390 122.287 119.914 -0.029 0.000 2.487 255 V HA 0.445 4.565 4.120 0.000 0.000 0.298 255 V C -0.965 175.059 176.094 -0.116 0.000 1.028 255 V CA -0.831 61.411 62.300 -0.097 0.000 0.860 255 V CB 2.390 34.190 31.823 -0.039 0.000 0.991 255 V HN 0.004 nan 8.190 nan 0.000 0.427 256 L N 5.569 126.641 121.223 -0.251 0.000 2.381 256 L HA 0.713 5.053 4.340 0.000 0.000 0.274 256 L C -1.419 175.237 176.870 -0.358 0.000 0.988 256 L CA -0.023 54.712 54.840 -0.174 0.000 0.824 256 L CB 1.476 43.483 42.059 -0.087 0.000 1.263 256 L HN 0.469 nan 8.230 nan 0.000 0.410 257 F N 4.877 124.830 119.950 0.005 0.000 2.375 257 F HA 0.459 4.986 4.527 0.000 0.000 0.361 257 F C 0.140 175.942 175.800 0.003 0.000 1.117 257 F CA -0.362 57.639 58.000 0.001 0.000 1.037 257 F CB 1.406 40.405 39.000 -0.002 0.000 1.192 257 F HN 0.509 nan 8.300 nan 0.000 0.452 258 C N 5.028 124.407 119.300 0.132 0.000 2.303 258 C HA 0.253 4.714 4.460 0.000 0.000 0.326 258 C C 1.613 176.653 174.990 0.085 0.000 1.285 258 C CA -0.423 58.646 59.018 0.085 0.000 1.675 258 C CB 0.780 28.545 27.740 0.042 0.000 2.289 258 C HN 0.948 nan 8.230 nan 0.000 0.512 259 Q N 3.411 123.252 119.800 0.068 0.000 2.079 259 Q HA -0.048 4.292 4.340 0.000 0.000 0.200 259 Q C 1.022 177.045 176.000 0.038 0.000 0.974 259 Q CA 1.664 57.497 55.803 0.050 0.000 0.840 259 Q CB 0.170 28.928 28.738 0.035 0.000 0.898 259 Q HN 0.777 nan 8.270 nan 0.000 0.430 260 K N -1.133 119.286 120.400 0.033 0.000 2.842 260 K HA 0.397 4.718 4.320 0.000 0.000 0.310 260 K C 0.494 177.109 176.600 0.026 0.000 0.992 260 K CA -0.117 56.186 56.287 0.026 0.000 1.207 260 K CB -0.244 32.270 32.500 0.022 0.000 1.478 260 K HN 0.105 nan 8.250 nan 0.000 0.601 261 G N 0.325 109.138 108.800 0.022 0.000 2.504 261 G HA2 0.502 4.462 3.960 0.000 0.000 0.288 261 G HA3 0.502 4.462 3.960 0.000 0.000 0.288 261 G C -0.634 174.278 174.900 0.020 0.000 1.182 261 G CA -0.631 44.481 45.100 0.019 0.000 0.894 261 G HN 0.337 nan 8.290 nan 0.000 0.521 262 I N 0.844 121.425 120.570 0.018 0.000 2.447 262 I HA 0.167 4.338 4.170 0.000 0.000 0.287 262 I C -0.539 175.593 176.117 0.026 0.000 1.023 262 I CA -0.761 60.552 61.300 0.021 0.000 1.083 262 I CB 1.990 39.997 38.000 0.011 0.000 1.245 262 I HN 0.409 nan 8.210 nan 0.000 0.434 263 D N 5.333 125.755 120.400 0.036 0.000 2.414 263 D HA -0.035 4.605 4.640 0.000 0.000 0.242 263 D C 0.678 177.012 176.300 0.058 0.000 1.129 263 D CA 0.104 54.129 54.000 0.042 0.000 0.885 263 D CB 1.356 42.183 40.800 0.045 0.000 1.198 263 D HN 0.497 nan 8.370 nan 0.000 0.437 264 D N 2.967 123.405 120.400 0.064 0.000 2.190 264 D HA -0.169 4.471 4.640 0.000 0.000 0.200 264 D C 1.921 178.333 176.300 0.187 0.000 0.992 264 D CA 0.750 54.822 54.000 0.120 0.000 0.854 264 D CB 0.257 41.127 40.800 0.116 0.000 0.936 264 D HN 0.341 nan 8.370 nan 0.000 0.462 265 L N 0.954 122.224 121.223 0.079 0.000 2.046 265 L HA -0.102 4.238 4.340 0.000 0.000 0.208 265 L C 2.494 179.428 176.870 0.107 0.000 1.077 265 L CA 1.256 56.112 54.840 0.027 0.000 0.747 265 L CB -0.960 41.134 42.059 0.058 0.000 0.896 265 L HN -0.049 nan 8.230 nan 0.000 0.432 266 A N -1.421 121.491 122.820 0.153 0.000 1.930 266 A HA -0.208 4.112 4.320 0.000 0.000 0.217 266 A C 2.210 179.869 177.584 0.125 0.000 1.175 266 A CA 1.217 53.362 52.037 0.180 0.000 0.627 266 A CB -0.397 18.672 19.000 0.114 0.000 0.815 266 A HN 0.517 nan 8.150 nan 0.000 0.443 267 Q N -1.184 118.660 119.800 0.073 0.000 2.124 267 Q HA -0.215 4.126 4.340 0.000 0.000 0.202 267 Q C 1.920 177.874 176.000 -0.076 0.000 0.977 267 Q CA 1.865 57.659 55.803 -0.016 0.000 0.850 267 Q CB -0.292 28.402 28.738 -0.074 0.000 0.901 267 Q HN 0.863 nan 8.270 nan 0.000 0.429 268 H N -1.296 117.712 119.070 -0.103 0.000 2.363 268 H HA -0.106 4.450 4.556 0.000 0.000 0.301 268 H C 1.320 176.563 175.328 -0.142 0.000 1.074 268 H CA 1.389 57.334 56.048 -0.172 0.000 1.354 268 H CB 0.028 29.607 29.762 -0.305 0.000 1.397 268 H HN 0.240 nan 8.280 nan 0.000 0.516 269 Y N 0.100 120.467 120.300 0.111 0.000 2.314 269 Y HA -0.077 4.473 4.550 0.000 0.000 0.293 269 Y C 2.254 178.168 175.900 0.022 0.000 1.129 269 Y CA 0.603 58.735 58.100 0.054 0.000 1.201 269 Y CB -0.488 37.996 38.460 0.040 0.000 0.999 269 Y HN 0.127 nan 8.280 nan 0.000 0.541 270 L N -1.034 120.284 121.223 0.157 0.000 2.046 270 L HA -0.213 4.127 4.340 0.000 0.000 0.208 270 L C 2.620 179.506 176.870 0.028 0.000 1.077 270 L CA 1.156 56.036 54.840 0.068 0.000 0.747 270 L CB -0.771 41.306 42.059 0.029 0.000 0.896 270 L HN 0.191 nan 8.230 nan 0.000 0.432 271 A N 0.018 122.840 122.820 0.003 0.000 1.930 271 A HA -0.204 4.117 4.320 0.000 0.000 0.217 271 A C 2.303 179.892 177.584 0.008 0.000 1.175 271 A CA 1.526 53.549 52.037 -0.023 0.000 0.627 271 A CB -0.307 18.646 19.000 -0.077 0.000 0.815 271 A HN 0.308 nan 8.150 nan 0.000 0.443 272 K N -0.366 120.061 120.400 0.045 0.000 2.147 272 K HA -0.096 4.225 4.320 0.000 0.000 0.205 272 K C 1.375 178.007 176.600 0.054 0.000 1.049 272 K CA 1.238 57.563 56.287 0.063 0.000 0.936 272 K CB -0.028 32.545 32.500 0.121 0.000 0.722 272 K HN 0.384 nan 8.250 nan 0.000 0.446 273 E N -0.469 119.765 120.200 0.055 0.000 2.478 273 E HA 0.004 4.354 4.350 0.000 0.000 0.194 273 E C 0.896 177.507 176.600 0.018 0.000 1.045 273 E CA 0.524 56.945 56.400 0.036 0.000 0.868 273 E CB 0.597 30.319 29.700 0.037 0.000 0.885 273 E HN 0.477 nan 8.360 nan 0.000 0.505 274 G N 1.952 110.759 108.800 0.011 0.000 2.147 274 G HA2 -0.284 3.676 3.960 0.000 0.000 0.244 274 G HA3 -0.284 3.676 3.960 0.000 0.000 0.244 274 G C 0.222 175.116 174.900 -0.010 0.000 1.005 274 G CA 0.175 45.274 45.100 -0.002 0.000 0.713 274 G HN 0.253 nan 8.290 nan 0.000 0.515 275 I N 1.040 121.603 120.570 -0.011 0.000 2.315 275 I HA 0.443 4.613 4.170 0.000 0.000 0.291 275 I C 0.994 177.083 176.117 -0.047 0.000 1.006 275 I CA -1.169 60.116 61.300 -0.024 0.000 1.265 275 I CB 1.570 39.561 38.000 -0.014 0.000 1.387 275 I HN 0.143 nan 8.210 nan 0.000 0.475 276 V N 3.626 123.498 119.914 -0.070 0.000 2.644 276 V HA 0.934 5.055 4.120 0.000 0.000 0.295 276 V C 0.058 176.057 176.094 -0.159 0.000 1.053 276 V CA -0.326 61.913 62.300 -0.101 0.000 0.987 276 V CB 1.308 33.072 31.823 -0.098 0.000 1.006 276 V HN 0.832 nan 8.190 nan 0.000 0.472 277 A N 3.138 125.858 122.820 -0.167 0.000 2.549 277 A HA 0.984 5.304 4.320 0.000 0.000 0.297 277 A C -0.392 177.074 177.584 -0.197 0.000 1.061 277 A CA -0.297 51.618 52.037 -0.204 0.000 0.690 277 A CB 1.800 20.730 19.000 -0.117 0.000 1.287 277 A HN 2.341 nan 8.150 nan 0.000 0.402 278 A N 1.953 124.628 122.820 -0.242 0.000 2.353 278 A HA 0.740 5.060 4.320 0.000 0.000 0.299 278 A C 0.021 177.591 177.584 -0.023 0.000 1.089 278 A CA -0.627 51.340 52.037 -0.117 0.000 0.736 278 A CB 0.748 19.687 19.000 -0.102 0.000 1.195 278 A HN 1.217 nan 8.150 nan 0.000 0.447 279 R N 1.856 122.357 120.500 0.002 0.000 2.608 279 R HA 0.714 5.054 4.340 0.000 0.000 0.255 279 R C -0.348 175.976 176.300 0.040 0.000 1.086 279 R CA -0.773 55.342 56.100 0.025 0.000 1.125 279 R CB 0.376 30.683 30.300 0.012 0.000 1.193 279 R HN 0.489 nan 8.270 nan 0.000 0.553 280 R N -1.083 119.440 120.500 0.037 0.000 3.525 280 R HA -0.109 4.231 4.340 0.000 0.000 0.276 280 R C -0.714 175.611 176.300 0.042 0.000 1.116 280 R CA 0.590 56.709 56.100 0.033 0.000 0.745 280 R CB -2.654 27.660 30.300 0.023 0.000 1.185 280 R HN 0.517 nan 8.270 nan 0.000 0.454 281 V N 1.432 121.383 119.914 0.063 0.000 2.572 281 V HA 0.066 4.186 4.120 0.000 0.000 0.291 281 V C 1.428 177.541 176.094 0.032 0.000 1.039 281 V CA -0.156 62.186 62.300 0.071 0.000 1.055 281 V CB 1.337 33.238 31.823 0.129 0.000 0.969 281 V HN 0.139 nan 8.190 nan 0.000 0.482 282 K N 3.257 123.664 120.400 0.011 0.000 2.382 282 K HA 0.033 4.353 4.320 0.000 0.000 0.275 282 K C 1.170 177.763 176.600 -0.013 0.000 1.009 282 K CA -0.349 55.935 56.287 -0.004 0.000 0.970 282 K CB 0.556 33.048 32.500 -0.014 0.000 0.934 282 K HN 0.589 nan 8.250 nan 0.000 0.479 283 K N 2.044 122.438 120.400 -0.010 0.000 2.074 283 K HA -0.178 4.142 4.320 0.000 0.000 0.209 283 K C 1.907 178.491 176.600 -0.027 0.000 1.048 283 K CA 2.108 58.387 56.287 -0.013 0.000 0.926 283 K CB -0.562 31.933 32.500 -0.008 0.000 0.713 283 K HN 0.594 nan 8.250 nan 0.000 0.444 284 S N 0.272 115.955 115.700 -0.029 0.000 2.359 284 S HA -0.176 4.294 4.470 0.000 0.000 0.224 284 S C 1.384 175.948 174.600 -0.059 0.000 1.035 284 S CA 1.852 60.029 58.200 -0.038 0.000 1.018 284 S CB -0.521 62.659 63.200 -0.034 0.000 0.876 284 S HN 0.415 nan 8.310 nan 0.000 0.448 285 D N 0.779 121.138 120.400 -0.068 0.000 2.144 285 D HA -0.037 4.604 4.640 0.000 0.000 0.200 285 D C 2.008 178.215 176.300 -0.154 0.000 0.978 285 D CA 0.905 54.837 54.000 -0.112 0.000 0.833 285 D CB -0.263 40.474 40.800 -0.104 0.000 0.961 285 D HN 0.381 nan 8.370 nan 0.000 0.470 286 M N 0.488 120.025 119.600 -0.106 0.000 2.159 286 M HA -0.087 4.393 4.480 0.000 0.000 0.263 286 M C 1.887 178.133 176.300 -0.089 0.000 1.063 286 M CA 1.192 56.433 55.300 -0.098 0.000 1.110 286 M CB -0.745 31.833 32.600 -0.036 0.000 1.374 286 M HN 0.116 nan 8.290 nan 0.000 0.411 287 E N 0.052 120.210 120.200 -0.069 0.000 2.072 287 E HA -0.134 4.216 4.350 0.000 0.000 0.190 287 E C 2.068 178.628 176.600 -0.067 0.000 0.982 287 E CA 0.854 57.221 56.400 -0.055 0.000 0.803 287 E CB 0.007 29.683 29.700 -0.040 0.000 0.755 287 E HN 0.495 nan 8.360 nan 0.000 0.453 288 K N 0.627 120.977 120.400 -0.085 0.000 2.097 288 K HA -0.093 4.227 4.320 0.000 0.000 0.205 288 K C 2.204 178.738 176.600 -0.109 0.000 1.050 288 K CA 0.801 57.035 56.287 -0.088 0.000 0.938 288 K CB -0.073 32.370 32.500 -0.095 0.000 0.718 288 K HN 0.107 nan 8.250 nan 0.000 0.442 289 L N 0.468 121.593 121.223 -0.165 0.000 2.056 289 L HA -0.170 4.171 4.340 0.000 0.000 0.207 289 L C 2.590 179.391 176.870 -0.114 0.000 1.078 289 L CA 1.074 55.791 54.840 -0.204 0.000 0.749 289 L CB -0.542 41.285 42.059 -0.386 0.000 0.901 289 L HN 0.192 nan 8.230 nan 0.000 0.433 290 A N 0.093 122.862 122.820 -0.085 0.000 1.902 290 A HA -0.204 4.116 4.320 0.000 0.000 0.217 290 A C 2.329 179.895 177.584 -0.030 0.000 1.181 290 A CA 1.597 53.609 52.037 -0.043 0.000 0.623 290 A CB -0.297 18.684 19.000 -0.032 0.000 0.818 290 A HN 0.305 nan 8.150 nan 0.000 0.443 291 K N -0.381 119.998 120.400 -0.035 0.000 2.025 291 K HA -0.028 4.292 4.320 0.000 0.000 0.207 291 K C 2.363 178.954 176.600 -0.015 0.000 1.049 291 K CA 1.176 57.450 56.287 -0.023 0.000 0.933 291 K CB -0.293 32.191 32.500 -0.026 0.000 0.714 291 K HN 0.430 nan 8.250 nan 0.000 0.438 292 A N 1.127 123.933 122.820 -0.024 0.000 1.854 292 A HA -0.132 4.189 4.320 0.000 0.000 0.214 292 A C 2.303 179.888 177.584 0.001 0.000 1.192 292 A CA 2.098 54.128 52.037 -0.012 0.000 0.611 292 A CB -1.019 17.965 19.000 -0.027 0.000 0.832 292 A HN 0.464 nan 8.150 nan 0.000 0.442 293 T N -4.078 110.471 114.554 -0.008 0.000 3.023 293 T HA 0.339 4.690 4.350 0.000 0.000 0.266 293 T C 1.465 176.176 174.700 0.018 0.000 1.093 293 T CA 1.276 63.382 62.100 0.010 0.000 1.129 293 T CB -0.249 68.625 68.868 0.010 0.000 0.899 293 T HN 1.805 nan 8.240 nan 0.000 0.491 294 G N 1.367 110.174 108.800 0.011 0.000 2.137 294 G HA2 0.000 3.961 3.960 0.000 0.000 0.237 294 G HA3 0.000 3.961 3.960 0.000 0.000 0.237 294 G C 0.210 175.119 174.900 0.014 0.000 1.002 294 G CA -0.024 45.084 45.100 0.014 0.000 0.702 294 G HN 1.179 nan 8.290 nan 0.000 0.515 295 A N -0.378 122.450 122.820 0.012 0.000 2.371 295 A HA 0.637 4.957 4.320 0.000 0.000 0.257 295 A C 0.375 177.966 177.584 0.012 0.000 1.089 295 A CA 0.285 52.334 52.037 0.019 0.000 0.794 295 A CB 0.519 19.536 19.000 0.028 0.000 1.029 295 A HN 0.749 nan 8.150 nan 0.000 0.488 296 N N 1.517 120.227 118.700 0.018 0.000 2.444 296 N HA 0.365 5.105 4.740 0.000 0.000 0.262 296 N C -0.911 174.609 175.510 0.017 0.000 0.974 296 N CA -0.348 52.710 53.050 0.013 0.000 0.933 296 N CB 1.224 39.719 38.487 0.013 0.000 1.137 296 N HN 0.286 nan 8.380 nan 0.000 0.498 297 V N 4.877 124.798 119.914 0.011 0.000 2.485 297 V HA 0.134 4.254 4.120 0.000 0.000 0.287 297 V C 0.388 176.492 176.094 0.016 0.000 1.022 297 V CA -0.007 62.302 62.300 0.015 0.000 1.067 297 V CB -0.151 31.676 31.823 0.007 0.000 0.967 297 V HN 0.514 nan 8.190 nan 0.000 0.479 298 I N 4.064 124.646 120.570 0.021 0.000 2.441 298 I HA 0.446 4.616 4.170 0.000 0.000 0.295 298 I C 0.971 177.099 176.117 0.019 0.000 0.994 298 I CA -0.367 60.944 61.300 0.019 0.000 1.144 298 I CB 1.378 39.390 38.000 0.020 0.000 1.314 298 I HN 0.629 nan 8.210 nan 0.000 0.445 299 A N 5.513 128.341 122.820 0.014 0.000 1.832 299 A HA 0.311 4.631 4.320 0.000 0.000 0.214 299 A C 1.147 178.740 177.584 0.014 0.000 1.204 299 A CA 1.050 53.095 52.037 0.014 0.000 0.606 299 A CB -0.258 18.748 19.000 0.010 0.000 0.849 299 A HN 0.731 nan 8.150 nan 0.000 0.445 300 A N -0.739 122.088 122.820 0.013 0.000 2.309 300 A HA 0.609 4.929 4.320 0.000 0.000 0.298 300 A C 0.865 178.456 177.584 0.013 0.000 1.165 300 A CA -0.538 51.506 52.037 0.012 0.000 0.821 300 A CB 0.132 19.137 19.000 0.009 0.000 1.102 300 A HN 0.400 nan 8.150 nan 0.000 0.500 301 I N 2.000 122.578 120.570 0.013 0.000 2.264 301 I HA -0.322 3.848 4.170 0.000 0.000 0.248 301 I C 2.756 178.879 176.117 0.010 0.000 1.111 301 I CA 1.759 63.067 61.300 0.014 0.000 1.382 301 I CB -0.245 37.763 38.000 0.013 0.000 1.060 301 I HN 0.759 nan 8.210 nan 0.000 0.418 302 A N 0.662 123.487 122.820 0.008 0.000 1.972 302 A HA -0.153 4.167 4.320 0.000 0.000 0.219 302 A C 2.482 180.069 177.584 0.006 0.000 1.169 302 A CA 1.826 53.866 52.037 0.005 0.000 0.635 302 A CB -0.686 18.316 19.000 0.004 0.000 0.810 302 A HN 0.449 nan 8.150 nan 0.000 0.446 303 A N -1.079 121.745 122.820 0.008 0.000 2.066 303 A HA 0.267 4.587 4.320 0.000 0.000 0.218 303 A C 1.020 178.610 177.584 0.010 0.000 1.157 303 A CA 0.364 52.406 52.037 0.008 0.000 0.670 303 A CB -0.498 18.507 19.000 0.009 0.000 0.804 303 A HN 0.578 nan 8.150 nan 0.000 0.453 304 L N 1.879 123.109 121.223 0.012 0.000 2.534 304 L HA 0.291 4.632 4.340 0.000 0.000 0.271 304 L C 0.472 177.350 176.870 0.012 0.000 1.178 304 L CA 0.573 55.422 54.840 0.015 0.000 0.907 304 L CB 0.237 42.307 42.059 0.018 0.000 1.164 304 L HN 0.361 nan 8.230 nan 0.000 0.482 305 S N 3.446 119.154 115.700 0.013 0.000 2.709 305 S HA 0.792 5.262 4.470 0.000 0.000 0.302 305 S C 0.878 175.486 174.600 0.014 0.000 1.127 305 S CA -0.351 57.856 58.200 0.012 0.000 0.905 305 S CB 1.293 64.499 63.200 0.010 0.000 1.151 305 S HN 0.808 nan 8.310 nan 0.000 0.510 306 A N 0.444 123.271 122.820 0.013 0.000 1.972 306 A HA -0.066 4.255 4.320 0.000 0.000 0.219 306 A C 2.026 179.620 177.584 0.016 0.000 1.169 306 A CA 1.250 53.295 52.037 0.014 0.000 0.635 306 A CB -0.878 18.129 19.000 0.012 0.000 0.810 306 A HN 0.734 nan 8.150 nan 0.000 0.446 307 Q N 0.128 119.936 119.800 0.014 0.000 2.437 307 Q HA -0.094 4.246 4.340 0.000 0.000 0.210 307 Q C 0.499 176.508 176.000 0.016 0.000 0.972 307 Q CA 1.012 56.824 55.803 0.014 0.000 0.903 307 Q CB -0.211 28.534 28.738 0.011 0.000 0.967 307 Q HN 0.662 nan 8.270 nan 0.000 0.486 308 D N -0.212 120.199 120.400 0.018 0.000 2.350 308 D HA 0.081 4.722 4.640 0.000 0.000 0.213 308 D C 0.403 176.718 176.300 0.026 0.000 1.031 308 D CA 0.079 54.091 54.000 0.020 0.000 0.861 308 D CB 0.647 41.459 40.800 0.020 0.000 0.926 308 D HN 0.199 nan 8.370 nan 0.000 0.520 309 L N 0.928 122.168 121.223 0.028 0.000 2.349 309 L HA 0.369 4.710 4.340 0.000 0.000 0.275 309 L C 1.207 178.098 176.870 0.036 0.000 1.115 309 L CA -0.462 54.400 54.840 0.036 0.000 0.820 309 L CB 1.246 43.325 42.059 0.033 0.000 1.135 309 L HN -0.137 nan 8.230 nan 0.000 0.445 310 G N 1.292 110.119 108.800 0.044 0.000 2.488 310 G HA2 0.437 4.397 3.960 0.000 0.000 0.318 310 G HA3 0.437 4.397 3.960 0.000 0.000 0.318 310 G C -1.148 173.780 174.900 0.046 0.000 1.188 310 G CA -0.478 44.646 45.100 0.041 0.000 0.944 310 G HN 0.538 nan 8.290 nan 0.000 0.495 311 D N -0.278 120.147 120.400 0.040 0.000 2.350 311 D HA 0.615 5.255 4.640 0.000 0.000 0.245 311 D C -0.335 175.989 176.300 0.039 0.000 1.036 311 D CA 0.047 54.071 54.000 0.039 0.000 0.848 311 D CB 2.113 42.933 40.800 0.032 0.000 1.307 311 D HN 0.577 nan 8.370 nan 0.000 0.469 312 A N 0.385 123.231 122.820 0.043 0.000 2.455 312 A HA 0.618 4.939 4.320 0.000 0.000 0.300 312 A C 0.859 178.463 177.584 0.034 0.000 1.040 312 A CA -0.434 51.628 52.037 0.043 0.000 0.697 312 A CB 1.712 20.752 19.000 0.067 0.000 1.265 312 A HN 0.504 nan 8.150 nan 0.000 0.407 313 G N 0.314 109.127 108.800 0.023 0.000 2.394 313 G HA2 0.310 4.270 3.960 0.000 0.000 0.215 313 G HA3 0.310 4.270 3.960 0.000 0.000 0.215 313 G C 0.304 175.218 174.900 0.023 0.000 1.165 313 G CA 1.571 46.679 45.100 0.015 0.000 0.784 313 G HN 1.137 nan 8.290 nan 0.000 0.535 314 L N 0.270 121.514 121.223 0.035 0.000 2.470 314 L HA 0.657 4.997 4.340 0.000 0.000 0.268 314 L C -1.312 175.601 176.870 0.072 0.000 0.964 314 L CA -0.852 54.013 54.840 0.042 0.000 0.839 314 L CB 2.548 44.625 42.059 0.029 0.000 1.276 314 L HN -0.126 nan 8.230 nan 0.000 0.403 315 V N 4.602 124.561 119.914 0.075 0.000 2.407 315 V HA 0.649 4.769 4.120 0.000 0.000 0.291 315 V C -0.518 175.630 176.094 0.089 0.000 1.018 315 V CA -0.459 61.906 62.300 0.107 0.000 0.842 315 V CB 1.478 33.368 31.823 0.111 0.000 0.996 315 V HN 0.833 nan 8.190 nan 0.000 0.426 316 E N 3.069 123.344 120.200 0.125 0.000 2.321 316 E HA 0.381 4.732 4.350 0.000 0.000 0.278 316 E C -1.102 175.590 176.600 0.153 0.000 0.902 316 E CA -0.661 55.797 56.400 0.095 0.000 0.758 316 E CB 2.276 32.003 29.700 0.045 0.000 1.213 316 E HN 0.764 nan 8.360 nan 0.000 0.426 317 E N 4.225 124.486 120.200 0.101 0.000 2.152 317 E HA 0.245 4.596 4.350 0.000 0.000 0.285 317 E C -0.906 175.755 176.600 0.102 0.000 1.043 317 E CA -0.189 56.282 56.400 0.118 0.000 0.839 317 E CB 0.670 30.406 29.700 0.060 0.000 1.069 317 E HN 0.336 nan 8.360 nan 0.000 0.399 318 R N 3.572 124.178 120.500 0.177 0.000 2.744 318 R HA 0.393 4.733 4.340 0.000 0.000 0.279 318 R C -0.796 175.597 176.300 0.154 0.000 0.977 318 R CA -0.966 55.194 56.100 0.099 0.000 0.906 318 R CB 1.945 32.198 30.300 -0.079 0.000 1.197 318 R HN 0.331 nan 8.270 nan 0.000 0.463 319 K N 2.315 122.763 120.400 0.080 0.000 2.234 319 K HA 0.387 4.707 4.320 0.000 0.000 0.277 319 K C -0.509 176.141 176.600 0.084 0.000 1.038 319 K CA -0.499 55.834 56.287 0.078 0.000 0.888 319 K CB 1.037 33.561 32.500 0.040 0.000 1.091 319 K HN 0.258 nan 8.250 nan 0.000 0.467 320 I N 2.641 123.276 120.570 0.107 0.000 2.359 320 I HA 0.066 4.236 4.170 0.000 0.000 0.284 320 I C 0.135 176.287 176.117 0.059 0.000 1.018 320 I CA -0.284 61.076 61.300 0.100 0.000 1.173 320 I CB 0.682 38.773 38.000 0.153 0.000 1.326 320 I HN 0.685 nan 8.210 nan 0.000 0.462 321 S N 4.626 120.351 115.700 0.041 0.000 3.587 321 S HA -0.195 4.275 4.470 0.000 0.000 0.337 321 S C 1.336 175.949 174.600 0.022 0.000 1.119 321 S CA 1.131 59.347 58.200 0.026 0.000 0.976 321 S CB -1.226 61.988 63.200 0.023 0.000 0.922 321 S HN 1.333 nan 8.310 nan 0.000 0.503 322 G N 0.367 109.182 108.800 0.026 0.000 2.420 322 G HA2 -0.257 3.703 3.960 0.000 0.000 0.221 322 G HA3 -0.257 3.703 3.960 0.000 0.000 0.221 322 G C -0.379 174.537 174.900 0.027 0.000 1.117 322 G CA 0.062 45.175 45.100 0.021 0.000 0.657 322 G HN 0.597 nan 8.290 nan 0.000 0.512 323 D N 1.665 122.083 120.400 0.030 0.000 2.417 323 D HA 0.425 5.065 4.640 0.000 0.000 0.250 323 D C 0.452 176.781 176.300 0.049 0.000 1.166 323 D CA 0.765 54.784 54.000 0.031 0.000 0.881 323 D CB 1.531 42.345 40.800 0.023 0.000 1.164 323 D HN 0.261 nan 8.370 nan 0.000 0.467 324 S N 3.005 118.731 115.700 0.043 0.000 2.505 324 S HA 0.385 4.855 4.470 0.000 0.000 0.276 324 S C -0.219 174.418 174.600 0.061 0.000 1.274 324 S CA -0.400 57.835 58.200 0.059 0.000 1.053 324 S CB 0.075 63.300 63.200 0.041 0.000 0.919 324 S HN 0.310 nan 8.310 nan 0.000 0.490 325 M N 4.495 124.156 119.600 0.100 0.000 2.593 325 M HA 0.524 5.004 4.480 0.000 0.000 0.290 325 M C -1.127 175.241 176.300 0.113 0.000 1.244 325 M CA -0.611 54.721 55.300 0.053 0.000 0.857 325 M CB 2.172 34.752 32.600 -0.034 0.000 1.738 325 M HN 0.432 nan 8.290 nan 0.000 0.461 326 I N 1.724 122.316 120.570 0.036 0.000 2.339 326 I HA 0.363 4.534 4.170 0.000 0.000 0.290 326 I C -1.283 174.841 176.117 0.012 0.000 0.994 326 I CA -0.375 61.001 61.300 0.126 0.000 1.191 326 I CB 0.896 39.001 38.000 0.174 0.000 1.343 326 I HN 0.436 nan 8.210 nan 0.000 0.458 327 F N 5.879 125.866 119.950 0.061 0.000 2.405 327 F HA 0.358 4.885 4.527 0.000 0.000 0.355 327 F C 0.197 176.031 175.800 0.058 0.000 1.121 327 F CA -0.666 57.361 58.000 0.046 0.000 1.112 327 F CB 1.358 40.375 39.000 0.027 0.000 1.126 327 F HN 0.031 nan 8.300 nan 0.000 0.481 328 V N 4.397 124.409 119.914 0.163 0.000 2.275 328 V HA 0.341 4.462 4.120 0.000 0.000 0.272 328 V C -0.313 175.841 176.094 0.100 0.000 1.028 328 V CA -0.548 61.825 62.300 0.122 0.000 0.810 328 V CB 0.319 32.182 31.823 0.066 0.000 1.043 328 V HN 0.831 nan 8.190 nan 0.000 0.453 329 E N 2.810 123.074 120.200 0.107 0.000 2.423 329 E HA 0.655 5.006 4.350 0.000 0.000 0.269 329 E C -0.640 175.989 176.600 0.047 0.000 0.948 329 E CA -0.896 55.552 56.400 0.081 0.000 0.802 329 E CB 1.501 31.264 29.700 0.106 0.000 1.339 329 E HN 0.152 nan 8.360 nan 0.000 0.445 330 E N -1.232 118.983 120.200 0.026 0.000 2.868 330 E HA -0.160 4.190 4.350 0.000 0.000 0.278 330 E C -0.634 175.960 176.600 -0.010 0.000 1.009 330 E CA 0.677 57.078 56.400 0.003 0.000 0.856 330 E CB -2.440 27.263 29.700 0.004 0.000 1.428 330 E HN 0.566 nan 8.360 nan 0.000 0.423 331 C N 0.771 120.067 119.300 -0.007 0.000 2.652 331 C HA 0.109 4.570 4.460 0.000 0.000 0.412 331 C C 2.283 177.229 174.990 -0.072 0.000 1.294 331 C CA -0.225 58.782 59.018 -0.018 0.000 2.127 331 C CB 0.548 28.289 27.740 0.001 0.000 2.691 331 C HN 0.354 nan 8.230 nan 0.000 0.615 332 K N 0.585 120.923 120.400 -0.103 0.000 1.978 332 K HA -0.099 4.222 4.320 0.000 0.000 0.214 332 K C 0.405 176.704 176.600 -0.502 0.000 1.049 332 K CA 1.390 57.508 56.287 -0.282 0.000 0.939 332 K CB -0.077 32.302 32.500 -0.201 0.000 0.721 332 K HN 0.689 nan 8.250 nan 0.000 0.441 333 H N 0.143 119.217 119.070 0.008 0.000 2.488 333 H HA 0.235 4.791 4.556 0.000 0.000 0.237 333 H C -2.499 172.832 175.328 0.004 0.000 1.395 333 H CA -1.963 54.088 56.048 0.006 0.000 1.491 333 H CB 0.712 30.476 29.762 0.004 0.000 1.567 333 H HN 0.193 nan 8.280 nan 0.000 0.508 334 P HA 0.111 nan 4.420 nan 0.000 0.271 334 P C 0.309 177.636 177.300 0.045 0.000 1.218 334 P CA -0.455 62.670 63.100 0.042 0.000 0.780 334 P CB 1.829 33.542 31.700 0.020 0.000 0.901 335 K N 0.384 120.800 120.400 0.026 0.000 2.358 335 K HA 0.452 4.773 4.320 0.000 0.000 0.200 335 K C 0.277 176.880 176.600 0.005 0.000 1.030 335 K CA 0.058 56.356 56.287 0.018 0.000 1.097 335 K CB 0.686 33.193 32.500 0.012 0.000 0.862 335 K HN 0.556 nan 8.250 nan 0.000 0.534 336 A N 0.422 123.242 122.820 0.001 0.000 2.486 336 A HA 0.679 4.999 4.320 0.000 0.000 0.300 336 A C -0.943 176.637 177.584 -0.006 0.000 1.048 336 A CA -0.777 51.254 52.037 -0.009 0.000 0.696 336 A CB 1.260 20.245 19.000 -0.024 0.000 1.278 336 A HN -0.011 nan 8.150 nan 0.000 0.405 337 V N -1.249 118.661 119.914 -0.007 0.000 3.074 337 V HA 0.973 5.093 4.120 0.000 0.000 0.314 337 V C -0.406 175.682 176.094 -0.011 0.000 1.117 337 V CA -0.591 61.708 62.300 -0.002 0.000 1.014 337 V CB 1.673 33.499 31.823 0.006 0.000 1.057 337 V HN 0.875 nan 8.190 nan 0.000 0.438 338 T N 3.606 118.157 114.554 -0.006 0.000 2.848 338 T HA 0.548 4.898 4.350 0.000 0.000 0.285 338 T C -0.595 174.106 174.700 0.002 0.000 0.995 338 T CA -0.229 61.861 62.100 -0.016 0.000 0.970 338 T CB 1.430 70.273 68.868 -0.043 0.000 0.976 338 T HN 0.949 nan 8.240 nan 0.000 0.441 339 M N 4.597 124.196 119.600 -0.003 0.000 2.066 339 M HA 0.500 4.980 4.480 0.000 0.000 0.340 339 M C -1.307 174.997 176.300 0.006 0.000 1.053 339 M CA -0.796 54.509 55.300 0.007 0.000 0.983 339 M CB 0.394 32.997 32.600 0.005 0.000 1.520 339 M HN 0.524 nan 8.290 nan 0.000 0.428 340 L N 6.965 128.201 121.223 0.023 0.000 2.261 340 L HA 0.472 4.812 4.340 0.000 0.000 0.289 340 L C -0.992 175.894 176.870 0.027 0.000 1.059 340 L CA -0.386 54.471 54.840 0.028 0.000 0.816 340 L CB 0.508 42.607 42.059 0.068 0.000 1.191 340 L HN 0.743 nan 8.230 nan 0.000 0.431 341 I N 5.647 126.227 120.570 0.016 0.000 2.325 341 I HA 0.324 4.494 4.170 0.000 0.000 0.291 341 I C 0.191 176.318 176.117 0.016 0.000 1.019 341 I CA -0.301 61.008 61.300 0.015 0.000 1.302 341 I CB 0.882 38.887 38.000 0.008 0.000 1.401 341 I HN 0.588 nan 8.210 nan 0.000 0.485 342 R N 3.954 124.465 120.500 0.019 0.000 2.828 342 R HA 0.899 5.239 4.340 0.000 0.000 0.264 342 R C -0.321 175.988 176.300 0.015 0.000 1.022 342 R CA -0.990 55.121 56.100 0.018 0.000 1.021 342 R CB 2.241 32.554 30.300 0.022 0.000 1.163 342 R HN 0.829 nan 8.270 nan 0.000 0.494 343 G N -0.731 108.078 108.800 0.014 0.000 2.340 343 G HA2 0.036 3.996 3.960 0.000 0.000 0.298 343 G HA3 0.036 3.996 3.960 0.000 0.000 0.298 343 G C 0.002 174.911 174.900 0.014 0.000 1.498 343 G CA -0.681 44.428 45.100 0.015 0.000 0.847 343 G HN 0.401 nan 8.290 nan 0.000 0.594 344 T N 0.365 114.930 114.554 0.017 0.000 2.915 344 T HA 0.180 4.530 4.350 0.000 0.000 0.269 344 T C 0.904 175.615 174.700 0.019 0.000 1.071 344 T CA 2.005 64.115 62.100 0.018 0.000 1.132 344 T CB -0.148 68.733 68.868 0.021 0.000 0.878 344 T HN 0.666 nan 8.240 nan 0.000 0.479 345 T N -0.050 114.517 114.554 0.022 0.000 2.894 345 T HA 0.298 4.648 4.350 0.000 0.000 0.309 345 T C 0.615 175.311 174.700 -0.006 0.000 1.208 345 T CA -0.740 61.371 62.100 0.018 0.000 1.016 345 T CB 2.679 71.583 68.868 0.059 0.000 1.192 345 T HN -0.082 nan 8.240 nan 0.000 0.491 346 E N 0.748 120.906 120.200 -0.069 0.000 2.070 346 E HA -0.224 4.126 4.350 0.000 0.000 0.197 346 E C 1.631 178.149 176.600 -0.138 0.000 1.004 346 E CA 1.942 58.258 56.400 -0.140 0.000 0.805 346 E CB -0.127 29.428 29.700 -0.243 0.000 0.744 346 E HN 0.630 nan 8.360 nan 0.000 0.451 347 H N -0.805 118.268 119.070 0.005 0.000 2.456 347 H HA -0.048 4.508 4.556 0.000 0.000 0.296 347 H C 2.129 177.460 175.328 0.005 0.000 1.079 347 H CA 1.408 57.458 56.048 0.004 0.000 1.322 347 H CB -0.080 29.684 29.762 0.004 0.000 1.388 347 H HN 0.134 nan 8.280 nan 0.000 0.538 348 V N 1.942 121.922 119.914 0.110 0.000 2.346 348 V HA -0.186 3.934 4.120 0.000 0.000 0.244 348 V C 2.663 178.782 176.094 0.040 0.000 1.037 348 V CA 1.592 63.932 62.300 0.066 0.000 1.029 348 V CB -0.483 31.370 31.823 0.049 0.000 0.663 348 V HN 0.404 nan 8.190 nan 0.000 0.454 349 I N -1.650 118.934 120.570 0.023 0.000 2.830 349 I HA -0.088 4.082 4.170 0.000 0.000 0.263 349 I C 2.076 178.199 176.117 0.010 0.000 1.230 349 I CA 1.428 62.735 61.300 0.012 0.000 1.480 349 I CB -0.543 37.458 38.000 0.001 0.000 1.095 349 I HN 0.308 nan 8.210 nan 0.000 0.455 350 E N 1.370 121.579 120.200 0.015 0.000 2.072 350 E HA -0.193 4.157 4.350 0.000 0.000 0.190 350 E C 2.093 178.711 176.600 0.030 0.000 0.982 350 E CA 0.922 57.334 56.400 0.020 0.000 0.803 350 E CB -0.115 29.604 29.700 0.031 0.000 0.755 350 E HN 0.496 nan 8.360 nan 0.000 0.453 351 E N 1.049 121.273 120.200 0.041 0.000 2.153 351 E HA -0.150 4.200 4.350 0.000 0.000 0.194 351 E C 2.059 178.674 176.600 0.026 0.000 0.988 351 E CA 0.826 57.247 56.400 0.035 0.000 0.811 351 E CB 0.215 29.939 29.700 0.039 0.000 0.746 351 E HN 0.088 nan 8.360 nan 0.000 0.466 352 V N 1.234 121.162 119.914 0.023 0.000 2.379 352 V HA -0.169 3.951 4.120 0.000 0.000 0.245 352 V C 2.625 178.728 176.094 0.014 0.000 1.044 352 V CA 1.494 63.805 62.300 0.018 0.000 1.036 352 V CB -0.806 31.027 31.823 0.017 0.000 0.664 352 V HN 0.333 nan 8.190 nan 0.000 0.453 353 A N 0.589 123.416 122.820 0.012 0.000 1.940 353 A HA -0.278 4.042 4.320 0.000 0.000 0.219 353 A C 2.309 179.899 177.584 0.009 0.000 1.176 353 A CA 2.330 54.371 52.037 0.008 0.000 0.631 353 A CB -0.499 18.504 19.000 0.004 0.000 0.814 353 A HN 0.463 nan 8.150 nan 0.000 0.446 354 R N 0.054 120.562 120.500 0.012 0.000 2.090 354 R HA 0.095 4.435 4.340 0.000 0.000 0.228 354 R C 2.139 178.447 176.300 0.013 0.000 1.110 354 R CA 1.757 57.865 56.100 0.012 0.000 0.973 354 R CB -0.944 29.365 30.300 0.015 0.000 0.869 354 R HN 0.361 nan 8.270 nan 0.000 0.440 355 A N 0.307 123.136 122.820 0.015 0.000 1.883 355 A HA -0.143 4.177 4.320 0.000 0.000 0.217 355 A C 2.188 179.780 177.584 0.013 0.000 1.186 355 A CA 2.099 54.146 52.037 0.016 0.000 0.624 355 A CB -0.984 18.027 19.000 0.018 0.000 0.822 355 A HN 0.327 nan 8.150 nan 0.000 0.444 356 V N -2.311 117.610 119.914 0.011 0.000 3.041 356 V HA -0.077 4.043 4.120 0.000 0.000 0.260 356 V C 1.852 177.950 176.094 0.007 0.000 1.105 356 V CA 2.181 64.486 62.300 0.009 0.000 1.125 356 V CB -0.667 31.161 31.823 0.007 0.000 0.730 356 V HN 0.422 nan 8.190 nan 0.000 0.479 357 D N 1.357 121.761 120.400 0.007 0.000 2.123 357 D HA -0.196 4.444 4.640 0.000 0.000 0.196 357 D C 1.815 178.119 176.300 0.006 0.000 0.992 357 D CA 1.909 55.912 54.000 0.005 0.000 0.833 357 D CB -0.166 40.637 40.800 0.005 0.000 0.954 357 D HN 0.554 nan 8.370 nan 0.000 0.455 358 D N -0.487 119.918 120.400 0.008 0.000 2.183 358 D HA 0.017 4.657 4.640 0.000 0.000 0.205 358 D C 1.952 178.258 176.300 0.009 0.000 0.962 358 D CA 0.969 54.974 54.000 0.009 0.000 0.849 358 D CB -0.184 40.623 40.800 0.011 0.000 0.978 358 D HN 0.245 nan 8.370 nan 0.000 0.488 359 A N 1.061 123.887 122.820 0.010 0.000 1.877 359 A HA -0.135 4.185 4.320 0.000 0.000 0.216 359 A C 2.385 179.973 177.584 0.007 0.000 1.186 359 A CA 1.182 53.225 52.037 0.009 0.000 0.620 359 A CB -0.879 18.126 19.000 0.009 0.000 0.822 359 A HN 0.170 nan 8.150 nan 0.000 0.443 360 V N -0.060 119.858 119.914 0.006 0.000 2.759 360 V HA -0.059 4.061 4.120 0.000 0.000 0.256 360 V C 2.315 178.411 176.094 0.004 0.000 1.080 360 V CA 2.057 64.359 62.300 0.004 0.000 1.101 360 V CB -0.650 31.175 31.823 0.003 0.000 0.698 360 V HN 0.571 nan 8.190 nan 0.000 0.477 361 G N -0.116 108.687 108.800 0.005 0.000 2.394 361 G HA2 -0.178 3.782 3.960 0.000 0.000 0.214 361 G HA3 -0.178 3.782 3.960 0.000 0.000 0.214 361 G C 1.626 176.529 174.900 0.006 0.000 1.176 361 G CA 1.364 46.468 45.100 0.005 0.000 0.786 361 G HN 0.670 nan 8.290 nan 0.000 0.533 362 V N -1.281 118.637 119.914 0.007 0.000 2.871 362 V HA 0.023 4.144 4.120 0.000 0.000 0.256 362 V C 2.585 178.683 176.094 0.007 0.000 1.082 362 V CA 1.146 63.450 62.300 0.008 0.000 1.105 362 V CB -0.304 31.525 31.823 0.009 0.000 0.713 362 V HN 0.118 nan 8.190 nan 0.000 0.473 363 V N 2.016 121.934 119.914 0.006 0.000 2.379 363 V HA 0.002 4.122 4.120 0.000 0.000 0.245 363 V C 2.903 179.000 176.094 0.005 0.000 1.044 363 V CA 2.119 64.422 62.300 0.005 0.000 1.036 363 V CB -1.269 30.557 31.823 0.005 0.000 0.664 363 V HN 0.604 nan 8.190 nan 0.000 0.453 364 G N -1.068 107.735 108.800 0.005 0.000 2.418 364 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 364 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 364 G C 1.731 176.634 174.900 0.005 0.000 1.158 364 G CA 1.344 46.447 45.100 0.004 0.000 0.771 364 G HN 0.529 nan 8.290 nan 0.000 0.545 365 C N 0.519 119.823 119.300 0.006 0.000 2.429 365 C HA -0.006 4.454 4.460 0.000 0.000 0.277 365 C C 3.218 178.212 174.990 0.007 0.000 1.262 365 C CA 1.495 60.517 59.018 0.006 0.000 1.733 365 C CB -0.983 26.762 27.740 0.007 0.000 2.010 365 C HN 0.430 nan 8.230 nan 0.000 0.483 366 T N 1.185 115.743 114.554 0.007 0.000 2.867 366 T HA -0.044 4.306 4.350 0.000 0.000 0.268 366 T C 1.571 176.274 174.700 0.006 0.000 1.057 366 T CA 1.167 63.271 62.100 0.006 0.000 1.136 366 T CB -0.224 68.648 68.868 0.006 0.000 0.874 366 T HN 0.507 nan 8.240 nan 0.000 0.466 367 I N 0.626 121.199 120.570 0.005 0.000 2.406 367 I HA -0.060 4.110 4.170 0.000 0.000 0.249 367 I C 2.501 178.621 176.117 0.004 0.000 1.122 367 I CA 1.196 62.499 61.300 0.004 0.000 1.431 367 I CB -0.210 37.792 38.000 0.004 0.000 1.087 367 I HN 0.261 nan 8.210 nan 0.000 0.424 368 E N -0.222 119.980 120.200 0.005 0.000 2.230 368 E HA -0.113 4.237 4.350 0.000 0.000 0.192 368 E C 0.258 176.862 176.600 0.006 0.000 0.987 368 E CA 0.507 56.910 56.400 0.005 0.000 0.841 368 E CB 0.259 29.962 29.700 0.005 0.000 0.783 368 E HN 0.197 nan 8.360 nan 0.000 0.481 369 D N -0.638 119.766 120.400 0.006 0.000 2.473 369 D HA 0.136 4.777 4.640 0.000 0.000 0.253 369 D C 0.085 176.389 176.300 0.007 0.000 1.233 369 D CA -0.493 53.511 54.000 0.007 0.000 0.908 369 D CB 1.363 42.168 40.800 0.009 0.000 1.170 369 D HN 0.029 nan 8.370 nan 0.000 0.558 370 G N 3.411 112.216 108.800 0.007 0.000 3.327 370 G HA2 0.024 3.984 3.960 0.000 0.000 0.240 370 G HA3 0.024 3.984 3.960 0.000 0.000 0.240 370 G C 0.470 175.375 174.900 0.008 0.000 1.222 370 G CA -0.257 44.847 45.100 0.007 0.000 0.871 370 G HN 0.168 nan 8.290 nan 0.000 0.525 371 R N 0.607 121.113 120.500 0.010 0.000 2.387 371 R HA 0.561 4.901 4.340 0.000 0.000 0.314 371 R C -0.147 176.160 176.300 0.012 0.000 0.958 371 R CA -0.577 55.530 56.100 0.011 0.000 0.846 371 R CB 1.513 31.821 30.300 0.013 0.000 1.147 371 R HN 0.403 nan 8.270 nan 0.000 0.447 372 I N -1.133 119.445 120.570 0.012 0.000 3.002 372 I HA 0.800 4.970 4.170 0.000 0.000 0.310 372 I C -0.152 175.974 176.117 0.016 0.000 1.087 372 I CA -1.322 59.986 61.300 0.013 0.000 1.017 372 I CB 2.449 40.456 38.000 0.012 0.000 1.226 372 I HN 0.291 nan 8.210 nan 0.000 0.443 373 V N -0.304 119.620 119.914 0.017 0.000 3.130 373 V HA 0.689 4.809 4.120 0.000 0.000 0.310 373 V C 0.110 176.217 176.094 0.022 0.000 1.158 373 V CA -0.532 61.780 62.300 0.021 0.000 1.029 373 V CB 1.239 33.076 31.823 0.023 0.000 1.057 373 V HN 1.040 nan 8.190 nan 0.000 0.436 374 S N 1.295 117.011 115.700 0.027 0.000 2.562 374 S HA 0.653 5.123 4.470 0.000 0.000 0.281 374 S C 0.485 175.105 174.600 0.032 0.000 1.333 374 S CA 0.194 58.412 58.200 0.031 0.000 1.052 374 S CB 0.724 63.946 63.200 0.037 0.000 0.884 374 S HN 1.837 nan 8.310 nan 0.000 0.506 375 G N 0.359 109.178 108.800 0.032 0.000 2.641 375 G HA2 0.571 4.531 3.960 0.000 0.000 0.239 375 G HA3 0.571 4.531 3.960 0.000 0.000 0.239 375 G C 0.843 175.763 174.900 0.034 0.000 1.402 375 G CA -0.595 44.523 45.100 0.030 0.000 1.046 375 G HN 2.041 nan 8.290 nan 0.000 0.565 376 G N -2.116 106.702 108.800 0.031 0.000 2.160 376 G HA2 0.252 4.213 3.960 0.000 0.000 0.251 376 G HA3 0.252 4.213 3.960 0.000 0.000 0.251 376 G C 1.438 176.344 174.900 0.009 0.000 1.008 376 G CA 1.101 46.218 45.100 0.028 0.000 0.724 376 G HN 2.495 nan 8.290 nan 0.000 0.514 377 G N -1.319 107.477 108.800 -0.006 0.000 2.159 377 G HA2 -0.111 3.849 3.960 0.000 0.000 0.256 377 G HA3 -0.111 3.849 3.960 0.000 0.000 0.256 377 G C 1.511 176.385 174.900 -0.045 0.000 0.977 377 G CA 1.698 46.778 45.100 -0.034 0.000 0.652 377 G HN 2.012 nan 8.290 nan 0.000 0.531 378 S N 0.045 115.748 115.700 0.005 0.000 2.370 378 S HA -0.164 4.306 4.470 0.000 0.000 0.226 378 S C 2.778 177.389 174.600 0.018 0.000 1.033 378 S CA 2.760 60.993 58.200 0.056 0.000 1.011 378 S CB -0.547 62.727 63.200 0.123 0.000 0.852 378 S HN 1.394 nan 8.310 nan 0.000 0.457 379 T N -0.430 114.128 114.554 0.006 0.000 2.668 379 T HA -0.030 4.320 4.350 0.000 0.000 0.262 379 T C 1.632 176.301 174.700 -0.052 0.000 1.045 379 T CA 1.512 63.611 62.100 -0.000 0.000 1.152 379 T CB -0.905 67.965 68.868 0.003 0.000 0.864 379 T HN 0.335 nan 8.240 nan 0.000 0.419 380 E N 0.920 121.075 120.200 -0.075 0.000 2.171 380 E HA -0.054 4.296 4.350 0.000 0.000 0.197 380 E C 2.271 178.779 176.600 -0.153 0.000 0.997 380 E CA 0.860 57.195 56.400 -0.108 0.000 0.810 380 E CB -0.770 28.863 29.700 -0.111 0.000 0.738 380 E HN 0.449 nan 8.360 nan 0.000 0.467 381 V N 0.379 120.159 119.914 -0.223 0.000 2.453 381 V HA -0.180 3.940 4.120 0.000 0.000 0.247 381 V C 2.233 178.088 176.094 -0.397 0.000 1.048 381 V CA 1.688 63.772 62.300 -0.361 0.000 1.049 381 V CB -0.364 31.119 31.823 -0.566 0.000 0.672 381 V HN 0.198 nan 8.190 nan 0.000 0.457 382 E N 0.717 120.723 120.200 -0.322 0.000 2.110 382 E HA -0.177 4.173 4.350 0.000 0.000 0.193 382 E C 2.012 178.583 176.600 -0.050 0.000 0.988 382 E CA 1.478 57.867 56.400 -0.017 0.000 0.804 382 E CB -0.393 29.394 29.700 0.145 0.000 0.745 382 E HN 0.553 nan 8.360 nan 0.000 0.458 383 L N -0.116 121.064 121.223 -0.070 0.000 2.056 383 L HA -0.130 4.211 4.340 0.000 0.000 0.207 383 L C 2.623 179.444 176.870 -0.082 0.000 1.078 383 L CA 1.298 56.101 54.840 -0.061 0.000 0.749 383 L CB -0.647 41.395 42.059 -0.027 0.000 0.901 383 L HN 0.175 nan 8.230 nan 0.000 0.433 384 S N -0.302 115.339 115.700 -0.099 0.000 2.370 384 S HA -0.216 4.254 4.470 0.000 0.000 0.226 384 S C 2.132 176.680 174.600 -0.086 0.000 1.033 384 S CA 1.313 59.460 58.200 -0.090 0.000 1.011 384 S CB -0.015 63.121 63.200 -0.107 0.000 0.852 384 S HN 0.213 nan 8.310 nan 0.000 0.457 385 M N 0.986 120.532 119.600 -0.091 0.000 2.067 385 M HA 0.014 4.494 4.480 0.000 0.000 0.260 385 M C 2.161 178.387 176.300 -0.124 0.000 1.069 385 M CA 1.494 56.753 55.300 -0.068 0.000 1.117 385 M CB -1.116 31.477 32.600 -0.011 0.000 1.334 385 M HN 0.240 nan 8.290 nan 0.000 0.407 386 K N 0.330 120.609 120.400 -0.202 0.000 2.116 386 K HA 0.085 4.405 4.320 0.000 0.000 0.203 386 K C 2.075 178.219 176.600 -0.761 0.000 1.052 386 K CA 0.866 56.884 56.287 -0.449 0.000 0.952 386 K CB -0.439 31.793 32.500 -0.446 0.000 0.729 386 K HN 0.375 nan 8.250 nan 0.000 0.446 387 L N 0.292 121.261 121.223 -0.424 0.000 2.313 387 L HA -0.027 4.313 4.340 0.000 0.000 0.214 387 L C 2.406 179.248 176.870 -0.046 0.000 1.119 387 L CA 0.620 55.333 54.840 -0.211 0.000 0.809 387 L CB -0.205 41.857 42.059 0.004 0.000 0.933 387 L HN 0.098 nan 8.230 nan 0.000 0.449 388 R N 0.195 120.657 120.500 -0.065 0.000 2.092 388 R HA -0.138 4.202 4.340 0.000 0.000 0.231 388 R C 2.068 178.381 176.300 0.022 0.000 1.119 388 R CA 1.253 57.350 56.100 -0.005 0.000 0.970 388 R CB -0.120 30.171 30.300 -0.014 0.000 0.864 388 R HN 0.427 nan 8.270 nan 0.000 0.440 389 E N -0.471 119.722 120.200 -0.012 0.000 2.107 389 E HA -0.159 4.192 4.350 0.000 0.000 0.191 389 E C 1.621 178.354 176.600 0.222 0.000 0.982 389 E CA 0.844 57.286 56.400 0.070 0.000 0.809 389 E CB 0.014 29.741 29.700 0.046 0.000 0.756 389 E HN 0.323 nan 8.360 nan 0.000 0.459 390 Y N 0.618 120.935 120.300 0.028 0.000 2.200 390 Y HA -0.103 4.447 4.550 0.000 0.000 0.290 390 Y C 2.416 178.331 175.900 0.024 0.000 1.137 390 Y CA 0.626 58.741 58.100 0.024 0.000 1.163 390 Y CB -1.137 37.338 38.460 0.025 0.000 0.988 390 Y HN 0.030 nan 8.280 nan 0.000 0.518 391 A N 0.280 123.219 122.820 0.199 0.000 1.908 391 A HA -0.173 4.147 4.320 0.000 0.000 0.218 391 A C 2.182 179.819 177.584 0.089 0.000 1.181 391 A CA 1.734 53.843 52.037 0.121 0.000 0.627 391 A CB -0.445 18.615 19.000 0.100 0.000 0.818 391 A HN 0.328 nan 8.150 nan 0.000 0.445 392 E N -0.505 119.748 120.200 0.088 0.000 2.110 392 E HA -0.129 4.222 4.350 0.000 0.000 0.193 392 E C 2.154 178.789 176.600 0.059 0.000 0.988 392 E CA 1.159 57.598 56.400 0.065 0.000 0.804 392 E CB -0.646 29.090 29.700 0.060 0.000 0.745 392 E HN 0.600 nan 8.360 nan 0.000 0.458 393 G N 1.060 109.905 108.800 0.074 0.000 2.403 393 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 393 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 393 G C 1.757 176.674 174.900 0.027 0.000 1.154 393 G CA 0.306 45.434 45.100 0.046 0.000 0.784 393 G HN 0.156 nan 8.290 nan 0.000 0.538 394 I N -0.113 120.480 120.570 0.037 0.000 2.202 394 I HA -0.030 4.140 4.170 0.000 0.000 0.242 394 I C 1.753 177.882 176.117 0.021 0.000 1.091 394 I CA 0.824 62.138 61.300 0.023 0.000 1.368 394 I CB -0.308 37.714 38.000 0.036 0.000 1.058 394 I HN 0.320 nan 8.210 nan 0.000 0.410 395 S N -1.178 114.540 115.700 0.030 0.000 3.513 395 S HA -0.130 4.340 4.470 0.000 0.000 0.636 395 S C 0.508 175.120 174.600 0.020 0.000 2.452 395 S CA 0.835 59.050 58.200 0.025 0.000 2.644 395 S CB -1.397 61.814 63.200 0.018 0.000 0.331 395 S HN 1.409 nan 8.310 nan 0.000 1.787 396 G N 0.755 109.565 108.800 0.016 0.000 2.552 396 G HA2 -0.298 3.662 3.960 0.000 0.000 0.265 396 G HA3 -0.298 3.662 3.960 0.000 0.000 0.265 396 G C 0.321 175.231 174.900 0.016 0.000 1.234 396 G CA 0.971 46.078 45.100 0.012 0.000 0.944 396 G HN 1.112 nan 8.290 nan 0.000 0.568 397 R N 0.501 121.009 120.500 0.013 0.000 2.210 397 R HA 0.146 4.486 4.340 0.000 0.000 0.203 397 R C 2.488 178.800 176.300 0.020 0.000 1.010 397 R CA 1.102 57.212 56.100 0.017 0.000 1.008 397 R CB -0.064 30.244 30.300 0.013 0.000 0.923 397 R HN 0.707 nan 8.270 nan 0.000 0.469 398 E N 1.191 121.401 120.200 0.017 0.000 2.160 398 E HA -0.260 4.090 4.350 0.000 0.000 0.195 398 E C 1.869 178.495 176.600 0.043 0.000 0.991 398 E CA 1.536 57.948 56.400 0.020 0.000 0.810 398 E CB 0.045 29.752 29.700 0.011 0.000 0.742 398 E HN 0.379 nan 8.360 nan 0.000 0.466 399 Q N 0.814 120.641 119.800 0.045 0.000 2.291 399 Q HA -0.112 4.228 4.340 0.000 0.000 0.205 399 Q C 1.936 177.980 176.000 0.073 0.000 0.970 399 Q CA 1.104 56.944 55.803 0.061 0.000 0.876 399 Q CB -0.357 28.412 28.738 0.052 0.000 0.935 399 Q HN 0.299 nan 8.270 nan 0.000 0.455 400 L N -0.326 120.935 121.223 0.063 0.000 2.072 400 L HA 0.027 4.368 4.340 0.000 0.000 0.205 400 L C 2.286 179.217 176.870 0.102 0.000 1.079 400 L CA 1.107 55.988 54.840 0.069 0.000 0.752 400 L CB -0.479 41.609 42.059 0.048 0.000 0.906 400 L HN 0.439 nan 8.230 nan 0.000 0.436 401 A N -0.778 122.102 122.820 0.101 0.000 1.930 401 A HA -0.150 4.170 4.320 0.000 0.000 0.217 401 A C 2.143 179.913 177.584 0.310 0.000 1.175 401 A CA 1.717 53.851 52.037 0.162 0.000 0.627 401 A CB -0.752 18.268 19.000 0.033 0.000 0.815 401 A HN 0.295 nan 8.150 nan 0.000 0.443 402 V N -0.086 119.954 119.914 0.210 0.000 2.427 402 V HA -0.195 3.926 4.120 0.000 0.000 0.248 402 V C 2.637 178.859 176.094 0.214 0.000 1.051 402 V CA 2.208 64.634 62.300 0.210 0.000 1.048 402 V CB -0.784 31.120 31.823 0.135 0.000 0.666 402 V HN 0.616 nan 8.190 nan 0.000 0.456 403 R N 1.205 121.800 120.500 0.158 0.000 2.081 403 R HA -0.070 4.271 4.340 0.000 0.000 0.235 403 R C 2.149 178.521 176.300 0.119 0.000 1.131 403 R CA 1.877 58.046 56.100 0.115 0.000 0.960 403 R CB -0.911 29.438 30.300 0.081 0.000 0.856 403 R HN 0.434 nan 8.270 nan 0.000 0.436 404 A N -0.474 122.443 122.820 0.162 0.000 1.898 404 A HA -0.122 4.198 4.320 0.000 0.000 0.216 404 A C 2.163 179.826 177.584 0.133 0.000 1.181 404 A CA 1.357 53.488 52.037 0.156 0.000 0.620 404 A CB -0.839 18.292 19.000 0.218 0.000 0.819 404 A HN 0.478 nan 8.150 nan 0.000 0.442 405 F N 0.923 120.893 119.950 0.034 0.000 2.102 405 F HA -0.062 4.465 4.527 0.000 0.000 0.298 405 F C 2.546 178.280 175.800 -0.109 0.000 1.105 405 F CA 1.390 59.292 58.000 -0.164 0.000 1.239 405 F CB -0.375 38.493 39.000 -0.221 0.000 0.991 405 F HN 0.246 nan 8.300 nan 0.000 0.474 406 A N -0.116 122.782 122.820 0.130 0.000 1.902 406 A HA -0.200 4.120 4.320 0.000 0.000 0.217 406 A C 1.895 179.430 177.584 -0.081 0.000 1.181 406 A CA 2.070 54.122 52.037 0.026 0.000 0.623 406 A CB -0.966 18.076 19.000 0.071 0.000 0.818 406 A HN 0.456 nan 8.150 nan 0.000 0.443 407 D N -0.153 120.215 120.400 -0.054 0.000 2.183 407 D HA 0.060 4.700 4.640 0.000 0.000 0.203 407 D C 2.126 178.359 176.300 -0.113 0.000 0.969 407 D CA 1.228 55.188 54.000 -0.066 0.000 0.842 407 D CB -0.357 40.428 40.800 -0.026 0.000 0.957 407 D HN 0.419 nan 8.370 nan 0.000 0.484 408 A N 0.585 123.307 122.820 -0.163 0.000 2.019 408 A HA -0.088 4.232 4.320 0.000 0.000 0.219 408 A C 2.228 179.662 177.584 -0.250 0.000 1.164 408 A CA 0.651 52.564 52.037 -0.207 0.000 0.644 408 A CB -0.663 18.172 19.000 -0.274 0.000 0.805 408 A HN 0.222 nan 8.150 nan 0.000 0.449 409 L N -0.836 120.207 121.223 -0.300 0.000 2.265 409 L HA -0.162 4.179 4.340 0.000 0.000 0.215 409 L C 2.392 179.159 176.870 -0.172 0.000 1.117 409 L CA 1.398 56.080 54.840 -0.263 0.000 0.782 409 L CB -0.413 41.489 42.059 -0.262 0.000 0.914 409 L HN 0.534 nan 8.230 nan 0.000 0.441 410 E N -0.001 120.112 120.200 -0.145 0.000 2.338 410 E HA -0.199 4.151 4.350 0.000 0.000 0.197 410 E C 2.218 178.760 176.600 -0.097 0.000 1.007 410 E CA 0.494 56.827 56.400 -0.111 0.000 0.849 410 E CB 0.155 29.800 29.700 -0.093 0.000 0.774 410 E HN 0.276 nan 8.360 nan 0.000 0.506 411 V N 0.855 120.707 119.914 -0.103 0.000 2.568 411 V HA -0.247 3.873 4.120 0.000 0.000 0.253 411 V C 1.840 177.887 176.094 -0.078 0.000 1.072 411 V CA 1.198 63.447 62.300 -0.086 0.000 1.084 411 V CB -0.277 31.492 31.823 -0.090 0.000 0.676 411 V HN 0.331 nan 8.190 nan 0.000 0.469 412 I N 1.141 121.660 120.570 -0.086 0.000 2.162 412 I HA -0.019 4.151 4.170 0.000 0.000 0.238 412 I C 0.170 176.248 176.117 -0.065 0.000 1.076 412 I CA 1.573 62.828 61.300 -0.074 0.000 1.353 412 I CB -2.838 35.115 38.000 -0.077 0.000 1.063 412 I HN 0.334 nan 8.210 nan 0.000 0.408 413 P HA -0.163 nan 4.420 nan 0.000 0.220 413 P C 1.740 179.007 177.300 -0.054 0.000 1.148 413 P CA 1.472 64.536 63.100 -0.059 0.000 0.803 413 P CB -0.132 31.529 31.700 -0.066 0.000 0.782 414 R N -0.185 120.280 120.500 -0.057 0.000 2.062 414 R HA -0.046 4.294 4.340 0.000 0.000 0.229 414 R C 2.075 178.346 176.300 -0.048 0.000 1.128 414 R CA 1.896 57.966 56.100 -0.050 0.000 0.960 414 R CB -0.733 29.537 30.300 -0.051 0.000 0.855 414 R HN 0.044 nan 8.270 nan 0.000 0.432 415 T N 1.287 115.810 114.554 -0.052 0.000 2.904 415 T HA -0.002 4.348 4.350 0.000 0.000 0.267 415 T C 1.727 176.396 174.700 -0.053 0.000 1.059 415 T CA 0.792 62.862 62.100 -0.050 0.000 1.137 415 T CB -0.003 68.834 68.868 -0.050 0.000 0.879 415 T HN 0.146 nan 8.240 nan 0.000 0.467 416 L N 0.814 122.004 121.223 -0.056 0.000 2.046 416 L HA -0.084 4.256 4.340 0.000 0.000 0.208 416 L C 3.021 179.851 176.870 -0.066 0.000 1.077 416 L CA 1.274 56.076 54.840 -0.063 0.000 0.747 416 L CB -0.616 41.407 42.059 -0.059 0.000 0.896 416 L HN 0.236 nan 8.230 nan 0.000 0.432 417 A N -0.458 122.329 122.820 -0.055 0.000 1.930 417 A HA -0.246 4.074 4.320 0.000 0.000 0.217 417 A C 2.260 179.815 177.584 -0.049 0.000 1.175 417 A CA 1.720 53.726 52.037 -0.050 0.000 0.627 417 A CB -0.475 18.500 19.000 -0.040 0.000 0.815 417 A HN 0.476 nan 8.150 nan 0.000 0.443 418 E N 0.044 120.216 120.200 -0.046 0.000 2.058 418 E HA -0.239 4.111 4.350 0.000 0.000 0.194 418 E C 1.603 178.175 176.600 -0.047 0.000 0.997 418 E CA 1.457 57.832 56.400 -0.042 0.000 0.801 418 E CB -0.155 29.521 29.700 -0.040 0.000 0.746 418 E HN 0.555 nan 8.360 nan 0.000 0.450 419 N N 0.266 118.934 118.700 -0.054 0.000 2.244 419 N HA -0.103 4.638 4.740 0.000 0.000 0.183 419 N C 1.437 176.904 175.510 -0.072 0.000 1.016 419 N CA 1.125 54.139 53.050 -0.060 0.000 0.866 419 N CB -0.284 38.164 38.487 -0.065 0.000 0.980 419 N HN 0.224 nan 8.380 nan 0.000 0.430 420 A N 0.010 122.781 122.820 -0.081 0.000 2.119 420 A HA 0.284 4.604 4.320 0.000 0.000 0.217 420 A C 1.476 179.022 177.584 -0.065 0.000 1.153 420 A CA 1.109 53.090 52.037 -0.093 0.000 0.692 420 A CB -0.454 18.484 19.000 -0.104 0.000 0.799 420 A HN 0.333 nan 8.150 nan 0.000 0.458 421 G N -1.416 107.353 108.800 -0.051 0.000 2.149 421 G HA2 -0.180 3.780 3.960 0.000 0.000 0.235 421 G HA3 -0.180 3.780 3.960 0.000 0.000 0.235 421 G C -0.064 174.817 174.900 -0.031 0.000 1.018 421 G CA 0.271 45.348 45.100 -0.037 0.000 0.728 421 G HN 0.447 nan 8.290 nan 0.000 0.508 422 L N -0.061 121.141 121.223 -0.034 0.000 2.375 422 L HA 0.518 4.859 4.340 0.000 0.000 0.268 422 L C 0.269 177.124 176.870 -0.024 0.000 1.058 422 L CA -1.070 53.753 54.840 -0.027 0.000 0.803 422 L CB 1.058 43.099 42.059 -0.030 0.000 1.212 422 L HN 0.081 nan 8.230 nan 0.000 0.451 423 D N 1.122 121.511 120.400 -0.019 0.000 2.359 423 D HA 0.189 4.829 4.640 0.000 0.000 0.250 423 D C 0.807 177.096 176.300 -0.019 0.000 1.264 423 D CA -0.012 53.978 54.000 -0.018 0.000 0.911 423 D CB 1.638 42.430 40.800 -0.014 0.000 1.056 423 D HN 0.599 nan 8.370 nan 0.000 0.499 424 A N 4.635 127.442 122.820 -0.022 0.000 1.986 424 A HA -0.188 4.132 4.320 0.000 0.000 0.220 424 A C 2.254 179.825 177.584 -0.022 0.000 1.171 424 A CA 0.964 52.986 52.037 -0.025 0.000 0.640 424 A CB -0.390 18.592 19.000 -0.029 0.000 0.811 424 A HN 0.747 nan 8.150 nan 0.000 0.451 425 I N -0.923 119.636 120.570 -0.019 0.000 2.163 425 I HA -0.253 3.917 4.170 0.000 0.000 0.240 425 I C 2.583 178.692 176.117 -0.013 0.000 1.081 425 I CA 1.836 63.126 61.300 -0.016 0.000 1.353 425 I CB -0.350 37.642 38.000 -0.013 0.000 1.054 425 I HN 0.523 nan 8.210 nan 0.000 0.407 426 E N 1.230 121.423 120.200 -0.012 0.000 2.110 426 E HA -0.222 4.128 4.350 0.000 0.000 0.193 426 E C 2.297 178.892 176.600 -0.009 0.000 0.988 426 E CA 1.196 57.591 56.400 -0.009 0.000 0.804 426 E CB 0.196 29.891 29.700 -0.007 0.000 0.745 426 E HN 0.308 nan 8.360 nan 0.000 0.458 427 I N 0.753 121.315 120.570 -0.012 0.000 2.113 427 I HA -0.243 3.928 4.170 0.000 0.000 0.238 427 I C 2.393 178.502 176.117 -0.014 0.000 1.070 427 I CA 0.874 62.166 61.300 -0.012 0.000 1.332 427 I CB -1.087 36.902 38.000 -0.019 0.000 1.044 427 I HN 0.257 nan 8.210 nan 0.000 0.402 428 L N 0.124 121.335 121.223 -0.020 0.000 2.083 428 L HA -0.140 4.200 4.340 0.000 0.000 0.209 428 L C 2.545 179.404 176.870 -0.018 0.000 1.083 428 L CA 1.278 56.103 54.840 -0.025 0.000 0.752 428 L CB -1.000 41.041 42.059 -0.030 0.000 0.899 428 L HN 0.003 nan 8.230 nan 0.000 0.433 429 V N -0.906 119.001 119.914 -0.012 0.000 2.283 429 V HA -0.237 3.884 4.120 0.000 0.000 0.243 429 V C 2.401 178.495 176.094 0.001 0.000 1.039 429 V CA 1.505 63.802 62.300 -0.006 0.000 1.016 429 V CB -0.436 31.384 31.823 -0.005 0.000 0.650 429 V HN 0.398 nan 8.190 nan 0.000 0.449 430 K N -0.387 120.014 120.400 0.002 0.000 2.155 430 K HA -0.053 4.267 4.320 0.000 0.000 0.203 430 K C 2.015 178.625 176.600 0.016 0.000 1.052 430 K CA 0.969 57.261 56.287 0.008 0.000 0.948 430 K CB -0.146 32.358 32.500 0.006 0.000 0.728 430 K HN 0.306 nan 8.250 nan 0.000 0.448 431 V N 1.149 121.072 119.914 0.014 0.000 2.302 431 V HA -0.179 3.941 4.120 0.000 0.000 0.243 431 V C 2.372 178.494 176.094 0.047 0.000 1.036 431 V CA 1.492 63.808 62.300 0.027 0.000 1.020 431 V CB -0.404 31.424 31.823 0.008 0.000 0.657 431 V HN 0.281 nan 8.190 nan 0.000 0.453 432 R N 0.362 120.872 120.500 0.017 0.000 2.081 432 R HA -0.170 4.170 4.340 0.000 0.000 0.235 432 R C 2.258 178.592 176.300 0.057 0.000 1.131 432 R CA 1.770 57.881 56.100 0.018 0.000 0.960 432 R CB -0.446 29.844 30.300 -0.016 0.000 0.856 432 R HN 0.479 nan 8.270 nan 0.000 0.436 433 A N 0.630 123.472 122.820 0.037 0.000 1.898 433 A HA -0.066 4.255 4.320 0.000 0.000 0.216 433 A C 2.350 179.958 177.584 0.040 0.000 1.181 433 A CA 1.595 53.651 52.037 0.033 0.000 0.620 433 A CB -0.765 18.246 19.000 0.018 0.000 0.819 433 A HN 0.538 nan 8.150 nan 0.000 0.442 434 A N -1.196 121.650 122.820 0.044 0.000 1.969 434 A HA -0.142 4.178 4.320 0.000 0.000 0.218 434 A C 1.981 179.590 177.584 0.042 0.000 1.169 434 A CA 2.013 54.072 52.037 0.036 0.000 0.635 434 A CB -0.801 18.218 19.000 0.033 0.000 0.810 434 A HN 0.777 nan 8.150 nan 0.000 0.445 435 H N -0.276 118.789 119.070 -0.008 0.000 2.326 435 H HA 0.082 4.639 4.556 0.001 0.000 0.301 435 H C 2.208 177.530 175.328 -0.011 0.000 1.081 435 H CA 1.878 57.920 56.048 -0.010 0.000 1.334 435 H CB -0.148 29.606 29.762 -0.014 0.000 1.385 435 H HN 0.390 nan 8.280 nan 0.000 0.504 436 A N -0.715 122.171 122.820 0.111 0.000 1.933 436 A HA -0.158 4.163 4.320 0.000 0.000 0.218 436 A C 2.541 180.120 177.584 -0.009 0.000 1.175 436 A CA 1.835 53.906 52.037 0.057 0.000 0.628 436 A CB -0.956 18.082 19.000 0.064 0.000 0.814 436 A HN 0.500 nan 8.150 nan 0.000 0.444 437 S N -0.529 115.165 115.700 -0.011 0.000 2.356 437 S HA -0.077 4.393 4.470 0.000 0.000 0.219 437 S C 1.875 176.451 174.600 -0.040 0.000 1.036 437 S CA 1.130 59.319 58.200 -0.018 0.000 0.965 437 S CB -0.366 62.830 63.200 -0.007 0.000 0.864 437 S HN 0.643 nan 8.310 nan 0.000 0.471 438 N N 0.697 119.364 118.700 -0.055 0.000 2.368 438 N HA 0.247 4.987 4.740 0.000 0.000 0.176 438 N C 1.002 176.447 175.510 -0.108 0.000 1.021 438 N CA 0.943 53.954 53.050 -0.065 0.000 0.888 438 N CB 0.596 39.054 38.487 -0.048 0.000 0.995 438 N HN 0.577 nan 8.380 nan 0.000 0.437 439 G N 1.172 109.852 108.800 -0.200 0.000 2.373 439 G HA2 -0.213 3.747 3.960 0.000 0.000 0.634 439 G HA3 -0.213 3.747 3.960 0.000 0.000 0.634 439 G C -0.019 174.595 174.900 -0.478 0.000 1.267 439 G CA 0.061 44.987 45.100 -0.290 0.000 1.008 439 G HN 0.283 nan 8.290 nan 0.000 0.497 440 N N -0.647 117.835 118.700 -0.363 0.000 2.405 440 N HA 0.063 4.803 4.740 0.000 0.000 0.175 440 N C 1.251 176.740 175.510 -0.037 0.000 1.051 440 N CA 1.261 54.193 53.050 -0.197 0.000 0.899 440 N CB 0.146 38.636 38.487 0.005 0.000 1.000 440 N HN 0.623 nan 8.380 nan 0.000 0.451 441 K N -0.507 119.861 120.400 -0.054 0.000 2.414 441 K HA 0.316 4.637 4.320 0.000 0.000 0.204 441 K C -0.493 176.092 176.600 -0.025 0.000 1.026 441 K CA -0.140 56.135 56.287 -0.020 0.000 1.108 441 K CB 0.491 32.982 32.500 -0.014 0.000 0.855 441 K HN 0.114 nan 8.250 nan 0.000 0.517 442 C N 0.993 120.264 119.300 -0.048 0.000 2.887 442 C HA 0.634 5.094 4.460 0.000 0.000 0.240 442 C C 0.429 175.400 174.990 -0.030 0.000 1.872 442 C CA -0.654 58.341 59.018 -0.038 0.000 1.626 442 C CB -0.784 26.923 27.740 -0.054 0.000 3.115 442 C HN 0.497 nan 8.230 nan 0.000 0.488 443 A N -0.016 122.804 122.820 -0.000 0.000 5.519 443 A HA 0.940 5.260 4.320 0.000 0.000 0.158 443 A C 0.169 177.791 177.584 0.064 0.000 0.860 443 A CA 0.418 52.479 52.037 0.040 0.000 1.134 443 A CB -0.395 18.645 19.000 0.067 0.000 2.248 443 A HN 1.915 nan 8.150 nan 0.000 1.056 444 G N -1.911 106.944 108.800 0.092 0.000 2.814 444 G HA2 0.361 4.322 3.960 0.000 0.000 0.677 444 G HA3 0.361 4.322 3.960 0.000 0.000 0.677 444 G C -0.685 174.242 174.900 0.045 0.000 1.429 444 G CA 0.008 45.148 45.100 0.068 0.000 0.868 444 G HN 2.091 nan 8.290 nan 0.000 0.553 445 L N 0.419 121.661 121.223 0.031 0.000 2.289 445 L HA 0.753 5.094 4.340 0.000 0.000 0.285 445 L C 0.183 177.075 176.870 0.038 0.000 1.049 445 L CA -0.968 53.886 54.840 0.023 0.000 0.804 445 L CB 1.542 43.602 42.059 0.001 0.000 1.195 445 L HN 0.738 nan 8.230 nan 0.000 0.428 446 N N 3.025 121.754 118.700 0.049 0.000 2.546 446 N HA 0.223 4.963 4.740 0.000 0.000 0.238 446 N C 0.804 176.351 175.510 0.061 0.000 0.984 446 N CA -0.219 52.886 53.050 0.092 0.000 0.935 446 N CB 1.139 39.692 38.487 0.110 0.000 1.122 446 N HN 0.530 nan 8.380 nan 0.000 0.510 447 V N 1.522 121.436 119.914 -0.000 0.000 2.970 447 V HA -0.003 4.117 4.120 0.000 0.000 0.260 447 V C 1.410 177.408 176.094 -0.159 0.000 1.100 447 V CA 1.229 63.456 62.300 -0.122 0.000 1.122 447 V CB -1.157 30.522 31.823 -0.239 0.000 0.721 447 V HN 0.453 nan 8.190 nan 0.000 0.483 448 F N 2.541 122.489 119.950 -0.004 0.000 2.259 448 F HA -0.039 4.489 4.527 0.001 0.000 0.298 448 F C 2.661 178.460 175.800 -0.003 0.000 1.088 448 F CA 1.846 59.844 58.000 -0.003 0.000 1.358 448 F CB -0.367 38.631 39.000 -0.002 0.000 1.040 448 F HN 0.387 nan 8.300 nan 0.000 0.505 449 T N -4.094 110.560 114.554 0.167 0.000 3.001 449 T HA 0.377 4.727 4.350 0.000 0.000 0.251 449 T C 1.476 176.204 174.700 0.045 0.000 1.040 449 T CA 0.408 62.562 62.100 0.089 0.000 0.985 449 T CB 0.319 69.231 68.868 0.074 0.000 1.011 449 T HN 0.347 nan 8.240 nan 0.000 0.509 450 G N 1.076 109.894 108.800 0.030 0.000 2.248 450 G HA2 0.269 4.229 3.960 0.000 0.000 0.263 450 G HA3 0.269 4.229 3.960 0.000 0.000 0.263 450 G C 0.053 174.957 174.900 0.007 0.000 1.082 450 G CA -0.227 44.875 45.100 0.003 0.000 0.863 450 G HN 1.416 nan 8.290 nan 0.000 0.495 451 A N -1.595 121.234 122.820 0.016 0.000 2.608 451 A HA 0.875 5.195 4.320 0.000 0.000 0.292 451 A C 0.020 177.617 177.584 0.021 0.000 1.066 451 A CA 0.122 52.169 52.037 0.016 0.000 0.676 451 A CB 1.479 20.490 19.000 0.018 0.000 1.277 451 A HN 1.782 nan 8.150 nan 0.000 0.413 452 V N 1.813 121.737 119.914 0.018 0.000 2.599 452 V HA 0.401 4.521 4.120 0.000 0.000 0.300 452 V C 0.007 176.117 176.094 0.026 0.000 1.034 452 V CA 1.007 63.321 62.300 0.023 0.000 1.115 452 V CB 0.451 32.287 31.823 0.021 0.000 0.934 452 V HN 0.916 nan 8.190 nan 0.000 0.485 453 E N 3.795 124.014 120.200 0.031 0.000 2.390 453 E HA 0.376 4.726 4.350 0.000 0.000 0.242 453 E C -1.449 175.167 176.600 0.026 0.000 0.907 453 E CA -0.681 55.736 56.400 0.028 0.000 0.884 453 E CB 0.856 30.578 29.700 0.036 0.000 1.788 453 E HN 0.699 nan 8.360 nan 0.000 0.427 454 D N 1.345 121.758 120.400 0.021 0.000 2.460 454 D HA 0.182 4.822 4.640 0.000 0.000 0.232 454 D C 0.812 177.125 176.300 0.021 0.000 1.079 454 D CA -0.275 53.734 54.000 0.016 0.000 0.864 454 D CB 0.693 41.497 40.800 0.007 0.000 1.048 454 D HN 0.187 nan 8.370 nan 0.000 0.523 455 M N 1.857 121.474 119.600 0.028 0.000 2.175 455 M HA -0.120 4.360 4.480 0.000 0.000 0.264 455 M C 2.305 178.618 176.300 0.020 0.000 1.063 455 M CA 0.670 55.989 55.300 0.031 0.000 1.119 455 M CB -1.126 31.498 32.600 0.040 0.000 1.377 455 M HN 0.526 nan 8.290 nan 0.000 0.415 456 C N 0.671 119.980 119.300 0.015 0.000 2.453 456 C HA -0.157 4.303 4.460 0.000 0.000 0.277 456 C C 2.701 177.693 174.990 0.003 0.000 1.262 456 C CA 1.292 60.315 59.018 0.008 0.000 1.718 456 C CB -0.893 26.850 27.740 0.004 0.000 2.031 456 C HN 0.634 nan 8.230 nan 0.000 0.480 457 E N 0.130 120.331 120.200 0.002 0.000 2.118 457 E HA -0.197 4.153 4.350 0.000 0.000 0.195 457 E C 1.340 177.937 176.600 -0.006 0.000 0.992 457 E CA 1.295 57.693 56.400 -0.002 0.000 0.804 457 E CB -0.182 29.517 29.700 -0.002 0.000 0.741 457 E HN 0.659 nan 8.360 nan 0.000 0.458 458 N N -0.456 118.242 118.700 -0.004 0.000 2.398 458 N HA 0.012 4.753 4.740 0.000 0.000 0.188 458 N C 0.681 176.181 175.510 -0.017 0.000 1.122 458 N CA 0.889 53.931 53.050 -0.013 0.000 0.866 458 N CB 1.020 39.502 38.487 -0.010 0.000 0.970 458 N HN 0.322 nan 8.380 nan 0.000 0.462 459 G N 0.616 109.412 108.800 -0.007 0.000 2.160 459 G HA2 -0.259 3.701 3.960 0.000 0.000 0.251 459 G HA3 -0.259 3.701 3.960 0.000 0.000 0.251 459 G C 0.000 174.901 174.900 0.001 0.000 1.008 459 G CA 0.017 45.114 45.100 -0.006 0.000 0.724 459 G HN 0.191 nan 8.290 nan 0.000 0.514 460 V N 1.388 121.308 119.914 0.011 0.000 2.276 460 V HA 0.473 4.593 4.120 0.000 0.000 0.249 460 V C 0.855 176.965 176.094 0.027 0.000 1.160 460 V CA 0.173 62.489 62.300 0.027 0.000 1.042 460 V CB 0.445 32.295 31.823 0.046 0.000 1.224 460 V HN 1.041 nan 8.190 nan 0.000 0.496 461 V N 1.524 121.451 119.914 0.022 0.000 2.962 461 V HA 0.787 4.907 4.120 0.000 0.000 0.313 461 V C -0.703 175.403 176.094 0.020 0.000 1.099 461 V CA -0.876 61.436 62.300 0.020 0.000 0.971 461 V CB 2.558 34.390 31.823 0.015 0.000 1.028 461 V HN 0.629 nan 8.190 nan 0.000 0.430 462 E N 2.299 122.510 120.200 0.018 0.000 2.293 462 E HA 0.533 4.883 4.350 0.000 0.000 0.270 462 E C -2.947 173.661 176.600 0.015 0.000 0.879 462 E CA -2.245 54.164 56.400 0.017 0.000 0.756 462 E CB 2.659 32.369 29.700 0.016 0.000 1.208 462 E HN 0.572 nan 8.360 nan 0.000 0.428 463 P HA -0.083 nan 4.420 nan 0.000 0.266 463 P C 0.456 177.764 177.300 0.013 0.000 1.195 463 P CA -0.090 63.017 63.100 0.012 0.000 0.768 463 P CB 0.538 32.245 31.700 0.011 0.000 0.838 464 L N 3.960 125.192 121.223 0.014 0.000 2.079 464 L HA -0.169 4.172 4.340 0.000 0.000 0.210 464 L C 2.282 179.162 176.870 0.016 0.000 1.081 464 L CA 1.939 56.789 54.840 0.016 0.000 0.752 464 L CB -0.843 41.226 42.059 0.017 0.000 0.896 464 L HN 0.217 nan 8.230 nan 0.000 0.433 465 R N -0.783 119.725 120.500 0.014 0.000 2.127 465 R HA -0.126 4.214 4.340 0.000 0.000 0.238 465 R C 2.010 178.318 176.300 0.013 0.000 1.134 465 R CA 1.948 58.056 56.100 0.014 0.000 0.975 465 R CB -1.008 29.299 30.300 0.012 0.000 0.865 465 R HN 0.323 nan 8.270 nan 0.000 0.447 466 V N 1.060 120.981 119.914 0.012 0.000 2.287 466 V HA -0.262 3.858 4.120 0.000 0.000 0.248 466 V C 2.140 178.240 176.094 0.010 0.000 1.053 466 V CA 2.070 64.375 62.300 0.010 0.000 1.027 466 V CB -0.407 31.422 31.823 0.009 0.000 0.646 466 V HN 0.282 nan 8.190 nan 0.000 0.447 467 K N 0.265 120.672 120.400 0.012 0.000 2.186 467 K HA -0.034 4.286 4.320 0.000 0.000 0.202 467 K C 2.267 178.880 176.600 0.021 0.000 1.052 467 K CA 1.636 57.930 56.287 0.012 0.000 0.965 467 K CB -0.685 31.823 32.500 0.013 0.000 0.746 467 K HN 0.723 nan 8.250 nan 0.000 0.457 468 T N -1.333 113.235 114.554 0.024 0.000 2.978 468 T HA -0.080 4.270 4.350 0.000 0.000 0.262 468 T C 2.018 176.735 174.700 0.028 0.000 1.063 468 T CA 0.699 62.816 62.100 0.030 0.000 1.140 468 T CB 0.086 68.970 68.868 0.026 0.000 0.886 468 T HN -0.046 nan 8.240 nan 0.000 0.470 469 Q N 1.899 121.712 119.800 0.022 0.000 2.083 469 Q HA 0.266 4.606 4.340 0.000 0.000 0.198 469 Q C 2.435 178.447 176.000 0.021 0.000 0.969 469 Q CA 1.698 57.513 55.803 0.020 0.000 0.838 469 Q CB -0.982 27.765 28.738 0.015 0.000 0.900 469 Q HN 0.616 nan 8.270 nan 0.000 0.436 470 A N 0.359 123.189 122.820 0.018 0.000 1.917 470 A HA -0.191 4.129 4.320 0.000 0.000 0.219 470 A C 2.121 179.722 177.584 0.027 0.000 1.182 470 A CA 1.687 53.732 52.037 0.013 0.000 0.633 470 A CB -0.809 18.191 19.000 0.001 0.000 0.819 470 A HN 0.488 nan 8.150 nan 0.000 0.448 471 I N -1.002 119.595 120.570 0.045 0.000 2.163 471 I HA -0.256 3.915 4.170 0.000 0.000 0.240 471 I C 2.848 179.009 176.117 0.074 0.000 1.081 471 I CA 1.205 62.556 61.300 0.085 0.000 1.353 471 I CB -0.400 37.660 38.000 0.100 0.000 1.054 471 I HN 0.322 nan 8.210 nan 0.000 0.407 472 Q N 0.550 120.380 119.800 0.050 0.000 2.002 472 Q HA -0.178 4.163 4.340 0.000 0.000 0.204 472 Q C 2.495 178.519 176.000 0.041 0.000 0.988 472 Q CA 2.047 57.874 55.803 0.041 0.000 0.843 472 Q CB -0.541 28.215 28.738 0.030 0.000 0.908 472 Q HN 0.411 nan 8.270 nan 0.000 0.420 473 S N 0.847 116.568 115.700 0.034 0.000 2.356 473 S HA -0.131 4.340 4.470 0.000 0.000 0.223 473 S C 1.975 176.597 174.600 0.037 0.000 1.032 473 S CA 1.183 59.401 58.200 0.030 0.000 1.005 473 S CB -0.311 62.902 63.200 0.022 0.000 0.867 473 S HN 0.524 nan 8.310 nan 0.000 0.449 474 A N 1.523 124.366 122.820 0.038 0.000 1.873 474 A HA 0.139 4.459 4.320 0.000 0.000 0.215 474 A C 2.358 179.984 177.584 0.070 0.000 1.186 474 A CA 1.720 53.781 52.037 0.040 0.000 0.616 474 A CB -1.129 17.883 19.000 0.020 0.000 0.823 474 A HN 0.511 nan 8.150 nan 0.000 0.442 475 A N -0.526 122.352 122.820 0.095 0.000 1.902 475 A HA -0.128 4.192 4.320 0.000 0.000 0.217 475 A C 1.941 179.589 177.584 0.106 0.000 1.181 475 A CA 1.673 53.786 52.037 0.127 0.000 0.623 475 A CB -0.405 18.663 19.000 0.115 0.000 0.818 475 A HN 0.438 nan 8.150 nan 0.000 0.443 476 E N -0.210 120.034 120.200 0.074 0.000 2.150 476 E HA -0.113 4.237 4.350 0.000 0.000 0.193 476 E C 2.293 178.929 176.600 0.059 0.000 0.985 476 E CA 1.190 57.626 56.400 0.060 0.000 0.814 476 E CB -0.494 29.232 29.700 0.043 0.000 0.752 476 E HN 0.556 nan 8.360 nan 0.000 0.466 477 S N 0.431 116.165 115.700 0.057 0.000 2.355 477 S HA -0.126 4.344 4.470 0.000 0.000 0.222 477 S C 2.193 176.831 174.600 0.062 0.000 1.031 477 S CA 2.151 60.381 58.200 0.050 0.000 0.993 477 S CB -0.285 62.939 63.200 0.039 0.000 0.859 477 S HN 0.464 nan 8.310 nan 0.000 0.453 478 T N -0.718 113.886 114.554 0.083 0.000 2.904 478 T HA 0.040 4.390 4.350 0.000 0.000 0.267 478 T C 1.738 176.511 174.700 0.123 0.000 1.059 478 T CA 1.358 63.522 62.100 0.107 0.000 1.137 478 T CB -0.502 68.455 68.868 0.148 0.000 0.879 478 T HN 0.606 nan 8.240 nan 0.000 0.467 479 E N 0.783 121.060 120.200 0.127 0.000 2.051 479 E HA -0.166 4.185 4.350 0.000 0.000 0.192 479 E C 2.253 178.890 176.600 0.062 0.000 0.991 479 E CA 1.167 57.627 56.400 0.101 0.000 0.799 479 E CB -0.301 29.456 29.700 0.094 0.000 0.748 479 E HN 0.581 nan 8.360 nan 0.000 0.449 480 M N 0.487 120.120 119.600 0.056 0.000 2.080 480 M HA -0.202 4.278 4.480 0.000 0.000 0.260 480 M C 2.170 178.495 176.300 0.041 0.000 1.068 480 M CA 1.496 56.822 55.300 0.042 0.000 1.109 480 M CB -0.073 32.551 32.600 0.039 0.000 1.342 480 M HN 0.206 nan 8.290 nan 0.000 0.405 481 L N 0.148 121.400 121.223 0.048 0.000 2.042 481 L HA -0.252 4.088 4.340 0.000 0.000 0.210 481 L C 2.361 179.253 176.870 0.038 0.000 1.076 481 L CA 1.216 56.083 54.840 0.046 0.000 0.749 481 L CB -0.728 41.358 42.059 0.045 0.000 0.893 481 L HN 0.416 nan 8.230 nan 0.000 0.432 482 L N -0.726 120.520 121.223 0.038 0.000 2.191 482 L HA -0.185 4.155 4.340 0.000 0.000 0.212 482 L C 2.686 179.561 176.870 0.008 0.000 1.103 482 L CA 1.050 55.901 54.840 0.019 0.000 0.769 482 L CB -0.420 41.647 42.059 0.013 0.000 0.908 482 L HN 0.218 nan 8.230 nan 0.000 0.438 483 R N -0.338 120.173 120.500 0.017 0.000 2.189 483 R HA -0.001 4.340 4.340 0.000 0.000 0.218 483 R C 0.196 176.504 176.300 0.014 0.000 1.074 483 R CA 0.404 56.513 56.100 0.015 0.000 0.991 483 R CB -0.074 30.239 30.300 0.021 0.000 0.883 483 R HN 0.152 nan 8.270 nan 0.000 0.457 484 I N 2.153 122.735 120.570 0.020 0.000 2.416 484 I HA -0.053 4.118 4.170 0.000 0.000 0.288 484 I C 0.592 176.721 176.117 0.021 0.000 1.051 484 I CA 0.216 61.530 61.300 0.023 0.000 1.375 484 I CB 1.233 39.252 38.000 0.032 0.000 1.407 484 I HN 0.113 nan 8.210 nan 0.000 0.516 485 D N 2.477 122.888 120.400 0.018 0.000 2.500 485 D HA 0.145 4.785 4.640 0.000 0.000 0.217 485 D C -0.263 176.056 176.300 0.030 0.000 1.159 485 D CA -0.002 54.008 54.000 0.016 0.000 0.828 485 D CB 0.313 41.113 40.800 -0.000 0.000 1.039 485 D HN 0.341 nan 8.370 nan 0.000 0.512 486 D N 0.146 120.568 120.400 0.036 0.000 2.738 486 D HA 0.248 4.888 4.640 0.000 0.000 0.218 486 D C -1.655 174.673 176.300 0.046 0.000 1.345 486 D CA -0.523 53.504 54.000 0.044 0.000 0.943 486 D CB 2.024 42.840 40.800 0.027 0.000 1.514 486 D HN -0.183 nan 8.370 nan 0.000 0.585 487 V N 5.161 125.118 119.914 0.073 0.000 2.378 487 V HA 0.514 4.634 4.120 0.000 0.000 0.288 487 V C 0.241 176.379 176.094 0.073 0.000 1.016 487 V CA -0.572 61.766 62.300 0.063 0.000 0.840 487 V CB 1.424 33.285 31.823 0.063 0.000 0.994 487 V HN 0.498 nan 8.190 nan 0.000 0.431 488 I N 4.580 125.171 120.570 0.036 0.000 2.390 488 I HA 0.700 4.870 4.170 0.000 0.000 0.283 488 I C 0.216 176.342 176.117 0.015 0.000 1.016 488 I CA -0.400 60.915 61.300 0.026 0.000 1.151 488 I CB 1.616 39.623 38.000 0.012 0.000 1.293 488 I HN 0.655 nan 8.210 nan 0.000 0.458 489 A N 5.336 128.169 122.820 0.023 0.000 2.304 489 A HA 0.857 5.177 4.320 0.000 0.000 0.314 489 A C 0.002 177.592 177.584 0.010 0.000 1.187 489 A CA -0.515 51.527 52.037 0.009 0.000 0.810 489 A CB 1.103 20.106 19.000 0.005 0.000 1.183 489 A HN 0.752 nan 8.150 nan 0.000 0.487 490 A N 2.046 124.867 122.820 0.002 0.000 2.351 490 A HA 0.547 4.867 4.320 0.000 0.000 0.257 490 A C 0.490 178.076 177.584 0.004 0.000 1.087 490 A CA -0.098 51.940 52.037 0.002 0.000 0.798 490 A CB 0.125 19.125 19.000 -0.000 0.000 1.033 490 A HN 0.925 nan 8.150 nan 0.000 0.488 491 E N 0.000 120.203 120.200 0.004 0.000 2.725 491 E HA 0.000 4.350 4.350 0.000 0.000 0.291 491 E CA 0.000 56.404 56.400 0.006 0.000 0.976 491 E CB 0.000 29.703 29.700 0.006 0.000 0.812 491 E HN 0.000 nan 8.360 nan 0.000 0.440