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 3ces_1_A DATA FIRST_RESID -8 DATA SEQUENCE SGLVPRGSHM FYPDPFDVII IGGGHAGTEA AMAAARMGQQ TLLLTHNIDT DATA SEQUENCE LGQMSCNPAI GGIGKGHLVK EVDALGGLMA KAIDQAGIQF RILNASKGPA DATA SEQUENCE VRATRAQADR VLYRQAVRTA LENQPNLMIF QQAVEDLIVE NDRVVGAVTQ DATA SEQUENCE MGLKFRAKAV VLTVGTFLDG KIHIGXXXXX XXXXXXXXSI PLSRRLRELP DATA SEQUENCE LRVGRLKTGT PPRIDARTID FSVLAQQHGD NPMPVFSFMG NASQHPQQVP DATA SEQUENCE CYITHTNEKT HDVIRSNLDR SXXXXXXXXX XXXXXXPSIE DKVMRFADRN DATA SEQUENCE QHQIFLEPEG LTSNEIYPNG ISTSLPFDVQ MQIVRSMQGM ENAKIVRPGY DATA SEQUENCE AIEYDFFDPR DLKPTLESKF IQGLFFAGQI NGTTGYEEAA AQGLLAGLNA DATA SEQUENCE ARLSADKEGW APARSQAYLG VLVDDLCTLG TKEPYRMFTS RAEYRLMLRE DATA SEQUENCE DNADLRLTEI GRELGLVDDE RWARFNEKLE NIERERQRLK STWVTPSAEA DATA SEQUENCE AAEVNAHLTA PLSREASGED LLRRPEMTYE KLTTLTPFAP ALTDEQAAEQ DATA SEQUENCE VEIQVKYEG 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 -8 S HA 0.000 nan 4.470 nan 0.000 0.327 -8 S C 0.000 174.596 174.600 -0.006 0.000 1.055 -8 S CA 0.000 58.197 58.200 -0.004 0.000 1.107 -8 S CB 0.000 63.197 63.200 -0.004 0.000 0.593 -7 G N 0.196 108.992 108.800 -0.007 0.000 3.440 -7 G HA2 0.368 4.328 3.960 0.001 0.000 0.263 -7 G HA3 0.368 4.328 3.960 0.001 0.000 0.263 -7 G C -0.063 174.829 174.900 -0.013 0.000 1.236 -7 G CA -0.264 44.830 45.100 -0.010 0.000 0.927 -7 G HN 0.703 nan 8.290 nan 0.000 0.530 -6 L N 1.824 123.040 121.223 -0.012 0.000 2.283 -6 L HA 0.328 4.669 4.340 0.001 0.000 0.287 -6 L C -0.464 176.394 176.870 -0.020 0.000 1.073 -6 L CA -0.466 54.365 54.840 -0.015 0.000 0.822 -6 L CB 1.359 43.412 42.059 -0.010 0.000 1.186 -6 L HN -0.127 nan 8.230 nan 0.000 0.436 -5 V N 6.697 126.593 119.914 -0.031 0.000 2.304 -5 V HA 0.235 4.355 4.120 0.001 0.000 0.269 -5 V C -1.041 175.022 176.094 -0.051 0.000 1.036 -5 V CA -0.958 61.315 62.300 -0.045 0.000 0.840 -5 V CB 0.706 32.490 31.823 -0.066 0.000 1.036 -5 V HN 0.731 nan 8.190 nan 0.000 0.466 -4 P HA -0.067 nan 4.420 nan 0.000 0.226 -4 P C 0.590 177.878 177.300 -0.019 0.000 1.153 -4 P CA -0.096 62.993 63.100 -0.018 0.000 0.777 -4 P CB 0.132 31.832 31.700 -0.000 0.000 0.794 -3 R N 0.143 120.611 120.500 -0.054 0.000 2.544 -3 R HA -0.147 4.193 4.340 0.001 0.000 0.227 -3 R C 1.185 177.532 176.300 0.078 0.000 0.776 -3 R CA 0.304 56.364 56.100 -0.065 0.000 0.538 -3 R CB -1.920 28.195 30.300 -0.308 0.000 1.265 -3 R HN 0.390 nan 8.270 nan 0.000 0.528 -2 G N -0.881 107.982 108.800 0.105 0.000 2.762 -2 G HA2 -0.044 3.916 3.960 0.001 0.000 0.209 -2 G HA3 -0.044 3.916 3.960 0.001 0.000 0.209 -2 G C 0.953 175.899 174.900 0.077 0.000 1.134 -2 G CA -0.009 45.136 45.100 0.076 0.000 0.781 -2 G HN 0.356 nan 8.290 nan 0.000 0.528 -1 S N 0.318 116.080 115.700 0.103 0.000 2.556 -1 S HA 0.152 4.623 4.470 0.001 0.000 0.216 -1 S C 0.305 174.866 174.600 -0.065 0.000 0.970 -1 S CA -0.457 57.758 58.200 0.025 0.000 0.912 -1 S CB -0.092 63.117 63.200 0.015 0.000 0.790 -1 S HN 0.441 nan 8.310 nan 0.000 0.504 0 H N 2.489 121.532 119.070 -0.045 0.000 2.882 0 H HA 0.403 4.960 4.556 0.001 0.000 0.258 0 H C 0.048 175.320 175.328 -0.093 0.000 1.579 0 H CA 0.135 56.136 56.048 -0.078 0.000 1.340 0 H CB -0.398 29.331 29.762 -0.054 0.000 1.645 0 H HN 0.438 nan 8.280 nan 0.000 0.541 1 M N -0.195 119.321 119.600 -0.139 0.000 2.643 1 M HA 0.371 4.852 4.480 0.001 0.000 0.276 1 M C -1.965 174.177 176.300 -0.263 0.000 1.200 1 M CA -0.956 54.274 55.300 -0.116 0.000 0.863 1 M CB 1.927 34.505 32.600 -0.037 0.000 1.711 1 M HN -0.125 nan 8.290 nan 0.000 0.492 2 F N 2.163 122.067 119.950 -0.077 0.000 2.410 2 F HA 0.410 4.937 4.527 0.001 0.000 0.348 2 F C 0.001 175.734 175.800 -0.111 0.000 1.106 2 F CA 0.140 58.083 58.000 -0.095 0.000 1.163 2 F CB 0.568 39.539 39.000 -0.047 0.000 1.129 2 F HN 0.531 nan 8.300 nan 0.000 0.516 3 Y N 6.951 127.152 120.300 -0.166 0.000 2.811 3 Y HA 0.011 4.562 4.550 0.001 0.000 0.334 3 Y C -1.151 174.763 175.900 0.022 0.000 1.247 3 Y CA -1.595 56.410 58.100 -0.158 0.000 1.526 3 Y CB 0.535 38.791 38.460 -0.340 0.000 1.284 3 Y HN 0.413 nan 8.280 nan 0.000 0.586 4 P HA -0.047 nan 4.420 nan 0.000 0.229 4 P C -0.766 176.400 177.300 -0.224 0.000 1.160 4 P CA 1.033 63.957 63.100 -0.293 0.000 0.777 4 P CB 0.448 31.954 31.700 -0.323 0.000 0.814 5 D N 1.572 121.832 120.400 -0.234 0.000 2.308 5 D HA 0.295 4.935 4.640 0.001 0.000 0.242 5 D C -2.315 173.947 176.300 -0.062 0.000 1.059 5 D CA -1.698 52.226 54.000 -0.127 0.000 0.830 5 D CB 1.808 42.513 40.800 -0.158 0.000 1.161 5 D HN 0.150 nan 8.370 nan 0.000 0.494 6 P HA 0.356 nan 4.420 nan 0.000 0.276 6 P C -0.822 176.268 177.300 -0.349 0.000 1.252 6 P CA -0.399 62.665 63.100 -0.060 0.000 0.802 6 P CB 0.841 32.531 31.700 -0.016 0.000 1.035 7 F N -0.494 119.525 119.950 0.116 0.000 2.541 7 F HA 0.285 4.813 4.527 0.001 0.000 0.331 7 F C 1.661 177.489 175.800 0.048 0.000 1.057 7 F CA -0.298 57.743 58.000 0.068 0.000 0.975 7 F CB 0.913 39.935 39.000 0.036 0.000 1.246 7 F HN 0.200 nan 8.300 nan 0.000 0.484 8 D N 0.193 120.716 120.400 0.204 0.000 2.149 8 D HA 0.040 4.681 4.640 0.001 0.000 0.206 8 D C -0.044 176.338 176.300 0.137 0.000 0.967 8 D CA 1.521 55.598 54.000 0.128 0.000 0.848 8 D CB 0.364 41.212 40.800 0.079 0.000 0.998 8 D HN 0.025 nan 8.370 nan 0.000 0.474 9 V N 1.626 121.625 119.914 0.143 0.000 2.588 9 V HA 0.359 4.480 4.120 0.001 0.000 0.304 9 V C -0.173 175.925 176.094 0.008 0.000 1.042 9 V CA -0.690 61.650 62.300 0.067 0.000 0.877 9 V CB 2.565 34.395 31.823 0.012 0.000 0.996 9 V HN -0.067 nan 8.190 nan 0.000 0.425 10 I N 5.309 125.863 120.570 -0.025 0.000 2.354 10 I HA 0.464 4.634 4.170 0.001 0.000 0.292 10 I C -0.748 175.316 176.117 -0.089 0.000 0.989 10 I CA -0.583 60.632 61.300 -0.142 0.000 1.188 10 I CB 1.696 39.607 38.000 -0.148 0.000 1.342 10 I HN 0.339 nan 8.210 nan 0.000 0.457 11 I N 7.261 127.755 120.570 -0.127 0.000 2.321 11 I HA 0.369 4.540 4.170 0.001 0.000 0.291 11 I C 0.003 176.077 176.117 -0.072 0.000 0.998 11 I CA -0.436 60.822 61.300 -0.070 0.000 1.227 11 I CB 1.177 39.140 38.000 -0.061 0.000 1.368 11 I HN 0.427 nan 8.210 nan 0.000 0.466 12 I N 5.478 126.032 120.570 -0.026 0.000 2.306 12 I HA 0.580 4.751 4.170 0.001 0.000 0.288 12 I C 0.617 176.769 176.117 0.058 0.000 1.036 12 I CA -0.053 61.246 61.300 -0.001 0.000 1.221 12 I CB 1.064 39.050 38.000 -0.022 0.000 1.385 12 I HN 0.815 nan 8.210 nan 0.000 0.472 13 G N 3.677 112.512 108.800 0.059 0.000 2.911 13 G HA2 0.025 3.986 3.960 0.001 0.000 0.686 13 G HA3 0.025 3.986 3.960 0.001 0.000 0.686 13 G C 0.001 174.918 174.900 0.029 0.000 1.136 13 G CA -0.474 44.672 45.100 0.077 0.000 0.764 13 G HN 0.927 nan 8.290 nan 0.000 0.626 14 G N 0.583 109.393 108.800 0.018 0.000 3.936 14 G HA2 0.680 4.641 3.960 0.001 0.000 0.296 14 G HA3 0.680 4.641 3.960 0.001 0.000 0.296 14 G C 0.983 175.836 174.900 -0.079 0.000 1.121 14 G CA 0.996 46.077 45.100 -0.031 0.000 0.899 14 G HN 1.402 nan 8.290 nan 0.000 0.542 15 G N -0.467 108.287 108.800 -0.076 0.000 2.529 15 G HA2 0.138 4.099 3.960 0.001 0.000 0.277 15 G HA3 0.138 4.099 3.960 0.001 0.000 0.277 15 G C 0.986 175.760 174.900 -0.209 0.000 1.383 15 G CA -0.330 44.654 45.100 -0.195 0.000 1.050 15 G HN 0.326 nan 8.290 nan 0.000 0.526 16 H N -0.272 118.812 119.070 0.024 0.000 2.352 16 H HA -0.165 4.392 4.556 0.001 0.000 0.299 16 H C 2.862 178.215 175.328 0.042 0.000 1.097 16 H CA 1.622 57.693 56.048 0.038 0.000 1.311 16 H CB -0.691 29.106 29.762 0.058 0.000 1.377 16 H HN 0.437 nan 8.280 nan 0.000 0.504 17 A N 1.109 124.023 122.820 0.156 0.000 1.858 17 A HA -0.105 4.216 4.320 0.001 0.000 0.216 17 A C 2.895 180.519 177.584 0.067 0.000 1.190 17 A CA 1.757 53.859 52.037 0.107 0.000 0.617 17 A CB -1.252 17.810 19.000 0.102 0.000 0.827 17 A HN 0.470 nan 8.150 nan 0.000 0.443 18 G N -1.521 107.304 108.800 0.041 0.000 2.432 18 G HA2 -0.100 3.860 3.960 0.001 0.000 0.219 18 G HA3 -0.100 3.860 3.960 0.001 0.000 0.219 18 G C 1.515 176.414 174.900 -0.001 0.000 1.135 18 G CA 1.614 46.725 45.100 0.018 0.000 0.767 18 G HN 0.439 nan 8.290 nan 0.000 0.550 19 T N 0.925 115.477 114.554 -0.004 0.000 2.708 19 T HA -0.065 4.286 4.350 0.001 0.000 0.266 19 T C 2.271 176.976 174.700 0.007 0.000 1.037 19 T CA 1.365 63.458 62.100 -0.012 0.000 1.146 19 T CB -0.088 68.768 68.868 -0.020 0.000 0.865 19 T HN 0.232 nan 8.240 nan 0.000 0.435 20 E N 1.161 121.382 120.200 0.034 0.000 2.107 20 E HA 0.044 4.394 4.350 0.001 0.000 0.191 20 E C 2.556 179.170 176.600 0.023 0.000 0.982 20 E CA 0.943 57.365 56.400 0.037 0.000 0.809 20 E CB -0.517 29.219 29.700 0.060 0.000 0.756 20 E HN 0.488 nan 8.360 nan 0.000 0.459 21 A N 1.884 124.716 122.820 0.021 0.000 1.865 21 A HA -0.135 4.186 4.320 0.001 0.000 0.217 21 A C 2.473 180.048 177.584 -0.016 0.000 1.191 21 A CA 2.319 54.357 52.037 0.002 0.000 0.623 21 A CB -0.745 18.260 19.000 0.008 0.000 0.826 21 A HN 0.273 nan 8.150 nan 0.000 0.444 22 A N -0.918 121.890 122.820 -0.019 0.000 1.883 22 A HA -0.157 4.164 4.320 0.001 0.000 0.217 22 A C 2.204 179.775 177.584 -0.021 0.000 1.186 22 A CA 2.105 54.124 52.037 -0.031 0.000 0.624 22 A CB -0.505 18.469 19.000 -0.042 0.000 0.822 22 A HN 0.450 nan 8.150 nan 0.000 0.444 23 M N -0.562 119.030 119.600 -0.013 0.000 2.229 23 M HA -0.073 4.408 4.480 0.001 0.000 0.264 23 M C 2.479 178.775 176.300 -0.006 0.000 1.063 23 M CA 1.449 56.744 55.300 -0.009 0.000 1.114 23 M CB -1.450 31.147 32.600 -0.005 0.000 1.387 23 M HN 0.508 nan 8.290 nan 0.000 0.420 24 A N 0.439 123.256 122.820 -0.005 0.000 1.841 24 A HA 0.027 4.348 4.320 0.001 0.000 0.214 24 A C 2.441 180.013 177.584 -0.019 0.000 1.195 24 A CA 2.090 54.122 52.037 -0.008 0.000 0.611 24 A CB -1.046 17.954 19.000 -0.000 0.000 0.835 24 A HN 0.446 nan 8.150 nan 0.000 0.443 25 A N -0.303 122.502 122.820 -0.026 0.000 1.940 25 A HA 0.128 4.449 4.320 0.001 0.000 0.219 25 A C 2.457 180.034 177.584 -0.012 0.000 1.176 25 A CA 2.286 54.306 52.037 -0.028 0.000 0.631 25 A CB -0.908 18.072 19.000 -0.033 0.000 0.814 25 A HN 1.051 nan 8.150 nan 0.000 0.446 26 A N 0.475 123.292 122.820 -0.006 0.000 1.898 26 A HA -0.078 4.243 4.320 0.001 0.000 0.214 26 A C 2.199 179.782 177.584 -0.002 0.000 1.183 26 A CA 1.395 53.434 52.037 0.005 0.000 0.622 26 A CB -0.434 18.570 19.000 0.007 0.000 0.824 26 A HN 0.696 nan 8.150 nan 0.000 0.444 27 R N -0.706 119.789 120.500 -0.009 0.000 2.189 27 R HA 0.106 4.446 4.340 0.001 0.000 0.218 27 R C 1.566 177.851 176.300 -0.025 0.000 1.074 27 R CA 1.467 57.559 56.100 -0.013 0.000 0.991 27 R CB -0.484 29.809 30.300 -0.013 0.000 0.883 27 R HN 0.422 nan 8.270 nan 0.000 0.457 28 M N 0.512 120.095 119.600 -0.029 0.000 2.557 28 M HA 0.127 4.607 4.480 0.001 0.000 0.259 28 M C 0.902 177.185 176.300 -0.029 0.000 1.086 28 M CA 1.452 56.728 55.300 -0.039 0.000 1.096 28 M CB 0.445 33.020 32.600 -0.041 0.000 1.424 28 M HN 0.641 nan 8.290 nan 0.000 0.488 29 G N -0.523 108.268 108.800 -0.015 0.000 2.163 29 G HA2 -0.153 3.807 3.960 0.001 0.000 0.213 29 G HA3 -0.153 3.807 3.960 0.001 0.000 0.213 29 G C -0.145 174.757 174.900 0.004 0.000 0.991 29 G CA -0.479 44.617 45.100 -0.007 0.000 0.653 29 G HN 0.368 nan 8.290 nan 0.000 0.518 30 Q N 0.526 120.330 119.800 0.008 0.000 2.293 30 Q HA 0.375 4.715 4.340 0.001 0.000 0.251 30 Q C 0.285 176.317 176.000 0.054 0.000 0.930 30 Q CA -0.269 55.548 55.803 0.024 0.000 0.893 30 Q CB 0.874 29.623 28.738 0.019 0.000 1.215 30 Q HN 0.363 nan 8.270 nan 0.000 0.425 31 Q N 1.780 121.625 119.800 0.076 0.000 2.263 31 Q HA 0.158 4.499 4.340 0.001 0.000 0.270 31 Q C -0.556 175.607 176.000 0.273 0.000 1.104 31 Q CA 0.448 56.337 55.803 0.143 0.000 0.909 31 Q CB 0.094 28.870 28.738 0.064 0.000 1.214 31 Q HN 0.403 nan 8.270 nan 0.000 0.400 32 T N 2.953 117.650 114.554 0.238 0.000 2.829 32 T HA 0.517 4.867 4.350 0.001 0.000 0.280 32 T C -0.527 174.140 174.700 -0.054 0.000 0.999 32 T CA -0.650 61.515 62.100 0.107 0.000 0.983 32 T CB 1.267 70.147 68.868 0.020 0.000 0.968 32 T HN 0.359 nan 8.240 nan 0.000 0.446 33 L N 3.999 124.975 121.223 -0.412 0.000 2.296 33 L HA 0.702 5.043 4.340 0.001 0.000 0.286 33 L C -1.222 175.389 176.870 -0.432 0.000 1.023 33 L CA -0.935 53.458 54.840 -0.746 0.000 0.812 33 L CB 1.159 42.252 42.059 -1.611 0.000 1.223 33 L HN 0.553 nan 8.230 nan 0.000 0.421 34 L N 6.405 127.443 121.223 -0.307 0.000 2.276 34 L HA 0.505 4.846 4.340 0.001 0.000 0.286 34 L C -1.267 175.490 176.870 -0.187 0.000 1.024 34 L CA -0.061 54.662 54.840 -0.197 0.000 0.826 34 L CB 0.854 42.843 42.059 -0.116 0.000 1.211 34 L HN 0.573 nan 8.230 nan 0.000 0.422 35 L N 5.062 126.180 121.223 -0.176 0.000 2.261 35 L HA 0.463 4.803 4.340 0.001 0.000 0.289 35 L C 0.292 177.147 176.870 -0.025 0.000 1.059 35 L CA -0.034 54.747 54.840 -0.099 0.000 0.816 35 L CB 1.220 43.215 42.059 -0.107 0.000 1.191 35 L HN 0.653 nan 8.230 nan 0.000 0.431 36 T N 0.063 114.607 114.554 -0.016 0.000 2.876 36 T HA 0.250 4.601 4.350 0.001 0.000 0.289 36 T C 0.775 175.485 174.700 0.017 0.000 1.014 36 T CA -0.499 61.608 62.100 0.012 0.000 0.986 36 T CB 0.974 69.817 68.868 -0.041 0.000 1.021 36 T HN 0.773 nan 8.240 nan 0.000 0.458 37 H N 3.150 122.207 119.070 -0.022 0.000 2.495 37 H HA 0.263 4.819 4.556 0.001 0.000 0.287 37 H C 0.721 176.023 175.328 -0.044 0.000 1.033 37 H CA 0.725 56.760 56.048 -0.022 0.000 1.307 37 H CB 0.189 29.952 29.762 0.001 0.000 1.401 37 H HN 0.475 nan 8.280 nan 0.000 0.555 38 N N -0.131 118.188 118.700 -0.634 0.000 2.599 38 N HA 0.129 4.869 4.740 0.001 0.000 0.283 38 N C -0.054 175.280 175.510 -0.293 0.000 1.160 38 N CA -0.312 52.440 53.050 -0.496 0.000 0.869 38 N CB 1.012 39.090 38.487 -0.682 0.000 1.448 38 N HN 0.117 nan 8.380 nan 0.000 0.535 39 I N 1.470 121.919 120.570 -0.201 0.000 2.335 39 I HA -0.229 3.941 4.170 0.001 0.000 0.251 39 I C 0.954 176.996 176.117 -0.125 0.000 1.129 39 I CA 1.099 62.311 61.300 -0.145 0.000 1.402 39 I CB 0.045 37.970 38.000 -0.125 0.000 1.069 39 I HN 0.600 nan 8.210 nan 0.000 0.424 40 D N -0.175 120.149 120.400 -0.126 0.000 2.363 40 D HA -0.073 4.568 4.640 0.001 0.000 0.220 40 D C 1.888 178.138 176.300 -0.083 0.000 0.994 40 D CA 1.339 55.284 54.000 -0.092 0.000 0.890 40 D CB -0.003 40.751 40.800 -0.077 0.000 0.906 40 D HN 0.432 nan 8.370 nan 0.000 0.530 41 T N -1.972 112.517 114.554 -0.108 0.000 3.069 41 T HA 0.190 4.540 4.350 0.001 0.000 0.252 41 T C 1.034 175.686 174.700 -0.079 0.000 1.053 41 T CA -0.366 61.687 62.100 -0.077 0.000 0.964 41 T CB -0.117 68.713 68.868 -0.063 0.000 1.005 41 T HN -0.053 nan 8.240 nan 0.000 0.532 42 L N 2.050 123.217 121.223 -0.094 0.000 2.559 42 L HA 0.391 4.732 4.340 0.001 0.000 0.274 42 L C 1.593 178.411 176.870 -0.085 0.000 1.205 42 L CA 1.221 56.002 54.840 -0.098 0.000 0.907 42 L CB -0.097 41.903 42.059 -0.097 0.000 1.153 42 L HN 0.578 nan 8.230 nan 0.000 0.490 43 G N 2.121 110.866 108.800 -0.093 0.000 2.176 43 G HA2 -0.278 3.683 3.960 0.001 0.000 0.232 43 G HA3 -0.278 3.683 3.960 0.001 0.000 0.232 43 G C 0.154 175.109 174.900 0.092 0.000 0.986 43 G CA -0.062 45.056 45.100 0.029 0.000 0.643 43 G HN 0.601 nan 8.290 nan 0.000 0.522 44 Q N 0.295 120.060 119.800 -0.058 0.000 2.330 44 Q HA 0.615 4.955 4.340 0.001 0.000 0.279 44 Q C 0.569 176.493 176.000 -0.127 0.000 1.024 44 Q CA 0.573 56.339 55.803 -0.062 0.000 0.900 44 Q CB 0.232 28.943 28.738 -0.045 0.000 1.221 44 Q HN 0.436 nan 8.270 nan 0.000 0.396 45 M N 3.034 122.536 119.600 -0.164 0.000 2.101 45 M HA 0.209 4.689 4.480 0.001 0.000 0.340 45 M C 0.634 176.892 176.300 -0.070 0.000 1.057 45 M CA -0.286 54.803 55.300 -0.351 0.000 0.984 45 M CB 1.693 33.946 32.600 -0.578 0.000 1.560 45 M HN 0.713 nan 8.290 nan 0.000 0.435 46 S N 0.918 116.679 115.700 0.101 0.000 2.423 46 S HA -0.041 4.429 4.470 0.001 0.000 0.231 46 S C 0.656 175.376 174.600 0.201 0.000 1.014 46 S CA 0.608 58.924 58.200 0.193 0.000 0.965 46 S CB 0.041 63.385 63.200 0.239 0.000 0.785 46 S HN 0.806 nan 8.310 nan 0.000 0.495 47 C N 1.296 120.726 119.300 0.217 0.000 3.389 47 C HA 0.362 4.823 4.460 0.001 0.000 0.133 47 C C 0.393 175.204 174.990 -0.298 0.000 2.714 47 C CA -1.054 58.032 59.018 0.114 0.000 1.946 47 C CB -0.571 27.217 27.740 0.080 0.000 3.241 47 C HN 0.601 nan 8.230 nan 0.000 0.403 48 N N 3.275 121.634 118.700 -0.568 0.000 2.453 48 N HA 0.086 4.827 4.740 0.001 0.000 0.253 48 N C -2.824 172.407 175.510 -0.464 0.000 1.252 48 N CA -0.424 51.982 53.050 -1.073 0.000 0.917 48 N CB -0.269 37.830 38.487 -0.647 0.000 1.117 48 N HN 0.358 nan 8.380 nan 0.000 0.442 49 P HA 0.295 nan 4.420 nan 0.000 0.225 49 P C -1.317 175.844 177.300 -0.231 0.000 1.830 49 P CA -0.245 62.691 63.100 -0.275 0.000 1.051 49 P CB -0.104 31.466 31.700 -0.216 0.000 1.929 50 A N 2.752 125.466 122.820 -0.176 0.000 2.594 50 A HA 0.765 5.086 4.320 0.001 0.000 0.295 50 A C -1.420 176.074 177.584 -0.149 0.000 1.071 50 A CA -0.607 51.312 52.037 -0.197 0.000 0.685 50 A CB 1.228 20.102 19.000 -0.211 0.000 1.285 50 A HN 0.239 nan 8.150 nan 0.000 0.405 51 I N 1.078 121.534 120.570 -0.189 0.000 2.498 51 I HA 0.667 4.838 4.170 0.001 0.000 0.290 51 I C 0.672 176.743 176.117 -0.077 0.000 1.032 51 I CA 0.811 62.007 61.300 -0.174 0.000 1.073 51 I CB 2.152 39.979 38.000 -0.288 0.000 1.251 51 I HN 1.619 nan 8.210 nan 0.000 0.426 52 G N 3.683 112.436 108.800 -0.079 0.000 2.472 52 G HA2 0.420 4.380 3.960 0.001 0.000 0.205 52 G HA3 0.420 4.380 3.960 0.001 0.000 0.205 52 G C -0.074 174.761 174.900 -0.107 0.000 1.270 52 G CA -0.121 45.022 45.100 0.072 0.000 0.974 52 G HN 1.714 nan 8.290 nan 0.000 0.542 53 G N -1.655 107.078 108.800 -0.112 0.000 2.610 53 G HA2 0.288 4.248 3.960 0.001 0.000 0.304 53 G HA3 0.288 4.248 3.960 0.001 0.000 0.304 53 G C -0.061 174.674 174.900 -0.275 0.000 1.309 53 G CA 0.043 45.007 45.100 -0.226 0.000 0.906 53 G HN 1.701 nan 8.290 nan 0.000 0.521 54 I N 2.157 122.493 120.570 -0.391 0.000 2.668 54 I HA 0.329 4.499 4.170 0.001 0.000 0.285 54 I C 1.826 177.441 176.117 -0.836 0.000 1.168 54 I CA 2.417 63.350 61.300 -0.611 0.000 1.424 54 I CB 0.482 38.140 38.000 -0.571 0.000 1.377 54 I HN 2.163 nan 8.210 nan 0.000 0.560 55 G N 5.099 113.271 108.800 -1.046 0.000 3.444 55 G HA2 -0.378 3.583 3.960 0.001 0.000 0.222 55 G HA3 -0.378 3.583 3.960 0.001 0.000 0.222 55 G C 1.284 176.038 174.900 -0.244 0.000 1.358 55 G CA 0.490 45.129 45.100 -0.768 0.000 0.880 55 G HN 0.566 nan 8.290 nan 0.000 0.555 56 K N 0.736 121.006 120.400 -0.216 0.000 2.020 56 K HA -0.012 4.308 4.320 0.001 0.000 0.212 56 K C 2.780 179.381 176.600 0.002 0.000 1.050 56 K CA 1.655 57.875 56.287 -0.112 0.000 0.929 56 K CB -0.640 31.730 32.500 -0.215 0.000 0.714 56 K HN 0.506 nan 8.250 nan 0.000 0.443 57 G N 0.823 109.651 108.800 0.047 0.000 2.442 57 G HA2 -0.267 3.694 3.960 0.001 0.000 0.219 57 G HA3 -0.267 3.694 3.960 0.001 0.000 0.219 57 G C 0.965 175.949 174.900 0.139 0.000 1.141 57 G CA 1.208 46.422 45.100 0.190 0.000 0.763 57 G HN 0.323 nan 8.290 nan 0.000 0.554 58 H N -0.195 118.885 119.070 0.018 0.000 2.289 58 H HA -0.041 4.516 4.556 0.001 0.000 0.296 58 H C 2.483 177.906 175.328 0.158 0.000 1.091 58 H CA 1.204 57.308 56.048 0.093 0.000 1.274 58 H CB -0.374 29.343 29.762 -0.075 0.000 1.364 58 H HN 0.192 nan 8.280 nan 0.000 0.490 59 L N 0.064 121.418 121.223 0.218 0.000 2.079 59 L HA -0.147 4.194 4.340 0.001 0.000 0.210 59 L C 2.389 179.340 176.870 0.134 0.000 1.081 59 L CA 1.033 55.976 54.840 0.173 0.000 0.752 59 L CB -0.813 41.310 42.059 0.107 0.000 0.896 59 L HN 0.174 nan 8.230 nan 0.000 0.433 60 V N -0.602 119.368 119.914 0.093 0.000 2.295 60 V HA -0.267 3.853 4.120 0.001 0.000 0.246 60 V C 2.606 178.773 176.094 0.122 0.000 1.049 60 V CA 1.358 63.669 62.300 0.019 0.000 1.024 60 V CB -0.584 31.109 31.823 -0.217 0.000 0.648 60 V HN 0.380 nan 8.190 nan 0.000 0.447 61 K N 0.214 120.744 120.400 0.216 0.000 2.074 61 K HA -0.233 4.088 4.320 0.001 0.000 0.209 61 K C 2.066 178.877 176.600 0.352 0.000 1.048 61 K CA 1.799 58.237 56.287 0.252 0.000 0.926 61 K CB -0.405 32.225 32.500 0.217 0.000 0.713 61 K HN 0.607 nan 8.250 nan 0.000 0.444 62 E N 0.441 120.814 120.200 0.288 0.000 2.047 62 E HA -0.122 4.229 4.350 0.001 0.000 0.191 62 E C 2.144 178.868 176.600 0.206 0.000 0.987 62 E CA 0.900 57.454 56.400 0.257 0.000 0.799 62 E CB -0.074 29.777 29.700 0.251 0.000 0.752 62 E HN -0.038 nan 8.360 nan 0.000 0.449 63 V N 1.628 121.644 119.914 0.169 0.000 2.282 63 V HA -0.310 3.811 4.120 0.001 0.000 0.249 63 V C 2.049 178.225 176.094 0.136 0.000 1.057 63 V CA 2.301 64.680 62.300 0.131 0.000 1.032 63 V CB -0.489 31.389 31.823 0.091 0.000 0.645 63 V HN 0.298 nan 8.190 nan 0.000 0.447 64 D N -0.078 120.423 120.400 0.168 0.000 2.097 64 D HA -0.158 4.483 4.640 0.001 0.000 0.195 64 D C 2.134 178.576 176.300 0.238 0.000 0.989 64 D CA 1.498 55.620 54.000 0.203 0.000 0.827 64 D CB -0.249 40.692 40.800 0.235 0.000 0.966 64 D HN 0.374 nan 8.370 nan 0.000 0.456 65 A N -0.140 122.851 122.820 0.285 0.000 1.986 65 A HA -0.119 4.202 4.320 0.001 0.000 0.220 65 A C 1.949 179.554 177.584 0.035 0.000 1.171 65 A CA 1.102 53.215 52.037 0.126 0.000 0.640 65 A CB -0.636 18.412 19.000 0.080 0.000 0.811 65 A HN 0.408 nan 8.150 nan 0.000 0.451 66 L N -1.227 120.041 121.223 0.075 0.000 2.848 66 L HA 0.336 4.677 4.340 0.001 0.000 0.240 66 L C 1.386 178.276 176.870 0.034 0.000 1.232 66 L CA 0.366 55.228 54.840 0.037 0.000 1.031 66 L CB -0.019 42.089 42.059 0.082 0.000 1.338 66 L HN 0.539 nan 8.230 nan 0.000 0.509 67 G N -0.438 108.391 108.800 0.049 0.000 2.143 67 G HA2 -0.240 3.721 3.960 0.001 0.000 0.249 67 G HA3 -0.240 3.721 3.960 0.001 0.000 0.249 67 G C 0.596 175.525 174.900 0.048 0.000 0.981 67 G CA -0.069 45.057 45.100 0.043 0.000 0.665 67 G HN 0.536 nan 8.290 nan 0.000 0.528 68 G N -1.349 107.488 108.800 0.063 0.000 2.553 68 G HA2 0.570 4.531 3.960 0.001 0.000 0.278 68 G HA3 0.570 4.531 3.960 0.001 0.000 0.278 68 G C 1.015 175.943 174.900 0.046 0.000 1.349 68 G CA 0.027 45.159 45.100 0.054 0.000 1.037 68 G HN 0.622 nan 8.290 nan 0.000 0.508 69 L N -0.649 120.594 121.223 0.033 0.000 2.467 69 L HA 0.225 4.566 4.340 0.001 0.000 0.213 69 L C 2.700 179.576 176.870 0.010 0.000 1.053 69 L CA 0.302 55.150 54.840 0.013 0.000 0.847 69 L CB -0.070 41.982 42.059 -0.011 0.000 1.075 69 L HN 0.758 nan 8.230 nan 0.000 0.479 70 M N 0.304 119.922 119.600 0.029 0.000 2.113 70 M HA -0.313 4.168 4.480 0.001 0.000 0.255 70 M C 2.170 178.458 176.300 -0.020 0.000 1.073 70 M CA 2.635 57.960 55.300 0.041 0.000 1.091 70 M CB -0.175 32.436 32.600 0.018 0.000 1.309 70 M HN 0.332 nan 8.290 nan 0.000 0.407 71 A N -0.011 122.773 122.820 -0.061 0.000 1.877 71 A HA -0.210 4.110 4.320 0.001 0.000 0.216 71 A C 2.049 179.674 177.584 0.068 0.000 1.186 71 A CA 2.112 54.112 52.037 -0.061 0.000 0.620 71 A CB -0.663 18.351 19.000 0.024 0.000 0.822 71 A HN 0.621 nan 8.150 nan 0.000 0.443 72 K N -0.361 120.077 120.400 0.063 0.000 2.057 72 K HA -0.070 4.251 4.320 0.001 0.000 0.207 72 K C 2.336 178.969 176.600 0.055 0.000 1.049 72 K CA 1.105 57.433 56.287 0.069 0.000 0.931 72 K CB -0.337 32.188 32.500 0.043 0.000 0.714 72 K HN 0.450 nan 8.250 nan 0.000 0.440 73 A N 1.410 124.230 122.820 -0.000 0.000 1.877 73 A HA -0.182 4.139 4.320 0.001 0.000 0.216 73 A C 2.126 179.770 177.584 0.101 0.000 1.186 73 A CA 1.409 53.392 52.037 -0.090 0.000 0.620 73 A CB -0.498 18.270 19.000 -0.387 0.000 0.822 73 A HN 0.269 nan 8.150 nan 0.000 0.443 74 I N 0.056 120.769 120.570 0.239 0.000 2.493 74 I HA -0.158 4.013 4.170 0.001 0.000 0.254 74 I C 1.247 177.594 176.117 0.383 0.000 1.160 74 I CA 1.435 62.901 61.300 0.277 0.000 1.445 74 I CB -0.295 37.752 38.000 0.079 0.000 1.086 74 I HN 0.224 nan 8.210 nan 0.000 0.433 75 D N 0.084 120.713 120.400 0.381 0.000 2.178 75 D HA -0.158 4.482 4.640 0.001 0.000 0.201 75 D C 2.038 178.579 176.300 0.401 0.000 0.980 75 D CA 0.906 55.183 54.000 0.461 0.000 0.842 75 D CB -0.039 40.944 40.800 0.305 0.000 0.948 75 D HN 0.412 nan 8.370 nan 0.000 0.472 76 Q N -0.368 119.576 119.800 0.240 0.000 2.212 76 Q HA 0.130 4.471 4.340 0.001 0.000 0.199 76 Q C 1.715 177.819 176.000 0.174 0.000 0.950 76 Q CA 0.789 56.694 55.803 0.170 0.000 0.863 76 Q CB 0.077 28.860 28.738 0.075 0.000 0.944 76 Q HN 0.231 nan 8.270 nan 0.000 0.465 77 A N 0.353 123.290 122.820 0.194 0.000 2.348 77 A HA 0.354 4.675 4.320 0.001 0.000 0.224 77 A C 1.078 178.738 177.584 0.127 0.000 1.227 77 A CA 0.328 52.467 52.037 0.171 0.000 0.885 77 A CB 0.072 19.230 19.000 0.263 0.000 0.933 77 A HN 0.200 nan 8.150 nan 0.000 0.506 78 G N 0.512 109.407 108.800 0.159 0.000 2.355 78 G HA2 0.449 4.409 3.960 0.001 0.000 0.276 78 G HA3 0.449 4.409 3.960 0.001 0.000 0.276 78 G C 0.585 175.499 174.900 0.023 0.000 1.198 78 G CA 0.009 45.078 45.100 -0.051 0.000 0.876 78 G HN 0.719 nan 8.290 nan 0.000 0.478 79 I N -1.008 119.499 120.570 -0.105 0.000 4.154 79 I HA 0.439 4.609 4.170 0.001 0.000 0.334 79 I C 0.086 176.184 176.117 -0.032 0.000 1.371 79 I CA -0.286 61.006 61.300 -0.013 0.000 1.110 79 I CB 0.489 38.487 38.000 -0.004 0.000 1.085 79 I HN 0.431 nan 8.210 nan 0.000 0.398 80 Q N 1.401 121.114 119.800 -0.146 0.000 2.295 80 Q HA 0.444 4.785 4.340 0.001 0.000 0.268 80 Q C -2.292 173.560 176.000 -0.246 0.000 1.010 80 Q CA -0.563 55.184 55.803 -0.093 0.000 0.856 80 Q CB 2.480 31.157 28.738 -0.102 0.000 1.349 80 Q HN 0.242 nan 8.270 nan 0.000 0.412 81 F N 2.394 122.285 119.950 -0.098 0.000 2.477 81 F HA 0.597 5.125 4.527 0.001 0.000 0.335 81 F C -0.182 175.558 175.800 -0.100 0.000 1.130 81 F CA -0.441 57.488 58.000 -0.118 0.000 0.948 81 F CB 1.966 40.879 39.000 -0.144 0.000 1.154 81 F HN 0.390 nan 8.300 nan 0.000 0.439 82 R N 3.698 124.200 120.500 0.003 0.000 2.686 82 R HA 0.609 4.950 4.340 0.001 0.000 0.283 82 R C -1.325 174.929 176.300 -0.078 0.000 0.978 82 R CA -0.965 55.115 56.100 -0.033 0.000 0.897 82 R CB 2.537 32.795 30.300 -0.070 0.000 1.192 82 R HN 0.440 nan 8.270 nan 0.000 0.457 83 I N 4.504 125.033 120.570 -0.068 0.000 2.331 83 I HA 0.254 4.424 4.170 0.001 0.000 0.292 83 I C 0.080 176.153 176.117 -0.073 0.000 0.998 83 I CA -0.379 60.866 61.300 -0.091 0.000 1.267 83 I CB 0.980 38.936 38.000 -0.074 0.000 1.386 83 I HN 0.432 nan 8.210 nan 0.000 0.476 84 L N 6.942 128.114 121.223 -0.085 0.000 2.334 84 L HA 0.394 4.735 4.340 0.001 0.000 0.277 84 L C 0.508 177.360 176.870 -0.030 0.000 1.075 84 L CA -0.624 54.177 54.840 -0.065 0.000 0.804 84 L CB 0.448 42.452 42.059 -0.091 0.000 1.174 84 L HN 0.603 nan 8.230 nan 0.000 0.438 85 N N 1.037 119.732 118.700 -0.010 0.000 2.754 85 N HA -0.213 4.527 4.740 0.001 0.000 0.248 85 N C 0.842 176.362 175.510 0.015 0.000 1.093 85 N CA 0.912 53.971 53.050 0.015 0.000 0.699 85 N CB -0.920 37.591 38.487 0.040 0.000 1.016 85 N HN 0.874 nan 8.380 nan 0.000 0.552 86 A N 0.110 122.933 122.820 0.004 0.000 2.019 86 A HA -0.115 4.206 4.320 0.001 0.000 0.219 86 A C 2.023 179.618 177.584 0.019 0.000 1.164 86 A CA 1.890 53.930 52.037 0.005 0.000 0.644 86 A CB -0.303 18.695 19.000 -0.003 0.000 0.805 86 A HN 0.662 nan 8.150 nan 0.000 0.449 87 S N -1.501 114.213 115.700 0.024 0.000 2.631 87 S HA 0.177 4.648 4.470 0.001 0.000 0.217 87 S C 1.166 175.792 174.600 0.042 0.000 0.958 87 S CA 0.345 58.565 58.200 0.033 0.000 0.920 87 S CB 0.000 63.218 63.200 0.030 0.000 0.776 87 S HN 0.546 nan 8.310 nan 0.000 0.517 88 K N 0.993 121.419 120.400 0.043 0.000 2.358 88 K HA 0.355 4.676 4.320 0.001 0.000 0.197 88 K C 0.623 177.256 176.600 0.054 0.000 1.025 88 K CA 0.364 56.681 56.287 0.050 0.000 1.104 88 K CB 0.618 33.148 32.500 0.050 0.000 0.855 88 K HN 0.532 nan 8.250 nan 0.000 0.531 89 G N 1.721 110.550 108.800 0.048 0.000 2.697 89 G HA2 -0.125 3.836 3.960 0.001 0.000 0.686 89 G HA3 -0.125 3.836 3.960 0.001 0.000 0.686 89 G C -2.697 172.184 174.900 -0.031 0.000 1.179 89 G CA -1.044 44.068 45.100 0.021 0.000 0.765 89 G HN -0.176 nan 8.290 nan 0.000 0.649 90 P HA 0.083 nan 4.420 nan 0.000 0.219 90 P C 2.075 179.374 177.300 -0.002 0.000 1.150 90 P CA 2.111 65.157 63.100 -0.090 0.000 0.814 90 P CB 0.157 31.741 31.700 -0.193 0.000 0.787 91 A N -0.779 122.034 122.820 -0.013 0.000 2.121 91 A HA -0.062 4.258 4.320 0.001 0.000 0.218 91 A C 2.161 179.893 177.584 0.246 0.000 1.154 91 A CA 1.334 53.432 52.037 0.102 0.000 0.679 91 A CB -1.297 17.712 19.000 0.015 0.000 0.795 91 A HN 0.136 nan 8.150 nan 0.000 0.458 92 V N -0.518 119.511 119.914 0.191 0.000 3.621 92 V HA 0.091 4.212 4.120 0.001 0.000 0.263 92 V C 0.880 177.118 176.094 0.239 0.000 1.272 92 V CA 0.043 62.499 62.300 0.260 0.000 1.080 92 V CB -0.296 31.612 31.823 0.142 0.000 0.816 92 V HN 0.475 nan 8.190 nan 0.000 0.451 93 R N 0.893 121.479 120.500 0.144 0.000 2.594 93 R HA 0.595 4.936 4.340 0.001 0.000 0.272 93 R C -0.237 176.072 176.300 0.016 0.000 1.074 93 R CA 0.623 56.756 56.100 0.054 0.000 1.105 93 R CB 0.771 31.072 30.300 0.002 0.000 1.008 93 R HN 0.335 nan 8.270 nan 0.000 0.472 94 A N 1.491 124.275 122.820 -0.059 0.000 2.488 94 A HA 0.430 4.750 4.320 0.001 0.000 0.298 94 A C -0.815 176.651 177.584 -0.195 0.000 1.044 94 A CA -0.780 51.176 52.037 -0.135 0.000 0.693 94 A CB 1.838 20.781 19.000 -0.094 0.000 1.272 94 A HN 0.584 nan 8.150 nan 0.000 0.402 95 T N 1.756 116.127 114.554 -0.305 0.000 2.845 95 T HA 0.633 4.984 4.350 0.001 0.000 0.288 95 T C 0.026 174.546 174.700 -0.299 0.000 0.980 95 T CA -0.212 61.617 62.100 -0.451 0.000 1.071 95 T CB 0.760 69.047 68.868 -0.968 0.000 0.941 95 T HN 0.648 nan 8.240 nan 0.000 0.487 96 R N 0.857 121.227 120.500 -0.217 0.000 2.604 96 R HA 0.672 5.013 4.340 0.001 0.000 0.281 96 R C -1.886 174.298 176.300 -0.193 0.000 1.020 96 R CA -0.650 55.380 56.100 -0.117 0.000 0.899 96 R CB 1.486 31.685 30.300 -0.168 0.000 1.205 96 R HN 0.761 nan 8.270 nan 0.000 0.450 97 A N 3.560 126.250 122.820 -0.217 0.000 2.393 97 A HA 0.401 4.721 4.320 0.001 0.000 0.306 97 A C -1.124 176.217 177.584 -0.405 0.000 1.050 97 A CA -0.799 50.902 52.037 -0.561 0.000 0.724 97 A CB 1.925 20.268 19.000 -1.095 0.000 1.248 97 A HN 0.574 nan 8.150 nan 0.000 0.424 98 Q N 0.866 120.438 119.800 -0.381 0.000 2.313 98 Q HA 0.471 4.811 4.340 0.001 0.000 0.266 98 Q C 0.110 175.950 176.000 -0.267 0.000 0.989 98 Q CA 0.221 55.863 55.803 -0.268 0.000 0.890 98 Q CB 1.476 30.102 28.738 -0.186 0.000 1.200 98 Q HN 0.818 nan 8.270 nan 0.000 0.396 99 A N 2.735 125.423 122.820 -0.220 0.000 2.312 99 A HA 0.254 4.575 4.320 0.001 0.000 0.326 99 A C -0.317 177.211 177.584 -0.093 0.000 1.172 99 A CA -0.696 51.241 52.037 -0.166 0.000 0.821 99 A CB 0.718 19.560 19.000 -0.263 0.000 1.166 99 A HN 0.639 nan 8.150 nan 0.000 0.493 100 D N 1.797 122.184 120.400 -0.022 0.000 2.325 100 D HA 0.135 4.776 4.640 0.001 0.000 0.251 100 D C 1.087 177.408 176.300 0.035 0.000 1.196 100 D CA -0.192 53.813 54.000 0.010 0.000 0.866 100 D CB 0.678 41.498 40.800 0.033 0.000 1.101 100 D HN 0.549 nan 8.370 nan 0.000 0.476 101 R N 2.468 122.976 120.500 0.014 0.000 2.120 101 R HA -0.081 4.260 4.340 0.001 0.000 0.234 101 R C 1.888 178.227 176.300 0.065 0.000 1.123 101 R CA 0.892 57.007 56.100 0.025 0.000 0.975 101 R CB -0.057 30.245 30.300 0.003 0.000 0.866 101 R HN 0.339 nan 8.270 nan 0.000 0.446 102 V N 1.347 121.290 119.914 0.049 0.000 2.407 102 V HA -0.137 3.984 4.120 0.001 0.000 0.245 102 V C 2.225 178.345 176.094 0.044 0.000 1.041 102 V CA 1.349 63.673 62.300 0.040 0.000 1.040 102 V CB -0.326 31.514 31.823 0.028 0.000 0.671 102 V HN 0.251 nan 8.190 nan 0.000 0.455 103 L N -1.345 119.912 121.223 0.058 0.000 2.191 103 L HA -0.191 4.150 4.340 0.001 0.000 0.212 103 L C 2.405 179.308 176.870 0.055 0.000 1.103 103 L CA 1.769 56.641 54.840 0.054 0.000 0.769 103 L CB -0.580 41.520 42.059 0.068 0.000 0.908 103 L HN 0.388 nan 8.230 nan 0.000 0.438 104 Y N 0.643 120.928 120.300 -0.025 0.000 2.206 104 Y HA -0.121 4.429 4.550 0.001 0.000 0.292 104 Y C 2.819 178.694 175.900 -0.043 0.000 1.123 104 Y CA 1.179 59.257 58.100 -0.037 0.000 1.142 104 Y CB 0.017 38.441 38.460 -0.061 0.000 1.006 104 Y HN -0.073 nan 8.280 nan 0.000 0.518 105 R N -0.188 120.347 120.500 0.058 0.000 2.096 105 R HA -0.230 4.111 4.340 0.001 0.000 0.240 105 R C 2.172 178.419 176.300 -0.088 0.000 1.139 105 R CA 1.798 57.883 56.100 -0.025 0.000 0.952 105 R CB -0.311 29.991 30.300 0.004 0.000 0.854 105 R HN 0.414 nan 8.270 nan 0.000 0.436 106 Q N -0.046 119.715 119.800 -0.066 0.000 2.050 106 Q HA -0.095 4.245 4.340 0.001 0.000 0.202 106 Q C 2.176 178.117 176.000 -0.099 0.000 0.980 106 Q CA 1.775 57.539 55.803 -0.064 0.000 0.840 106 Q CB -0.434 28.284 28.738 -0.033 0.000 0.898 106 Q HN 0.359 nan 8.270 nan 0.000 0.424 107 A N 0.358 123.090 122.820 -0.146 0.000 1.902 107 A HA -0.124 4.197 4.320 0.001 0.000 0.217 107 A C 2.479 179.935 177.584 -0.214 0.000 1.181 107 A CA 1.648 53.578 52.037 -0.178 0.000 0.623 107 A CB -0.682 18.182 19.000 -0.228 0.000 0.818 107 A HN 0.205 nan 8.150 nan 0.000 0.443 108 V N -0.211 119.520 119.914 -0.305 0.000 2.283 108 V HA -0.213 3.907 4.120 0.001 0.000 0.243 108 V C 2.639 178.646 176.094 -0.145 0.000 1.039 108 V CA 2.174 64.324 62.300 -0.251 0.000 1.016 108 V CB -0.761 30.885 31.823 -0.295 0.000 0.650 108 V HN 0.654 nan 8.190 nan 0.000 0.449 109 R N 0.416 120.841 120.500 -0.124 0.000 2.094 109 R HA -0.222 4.119 4.340 0.001 0.000 0.239 109 R C 2.516 178.774 176.300 -0.070 0.000 1.137 109 R CA 2.479 58.526 56.100 -0.088 0.000 0.943 109 R CB -0.683 29.571 30.300 -0.077 0.000 0.850 109 R HN 0.715 nan 8.270 nan 0.000 0.433 110 T N -1.799 112.714 114.554 -0.068 0.000 2.833 110 T HA -0.037 4.314 4.350 0.001 0.000 0.269 110 T C 1.957 176.629 174.700 -0.046 0.000 1.054 110 T CA 1.117 63.187 62.100 -0.049 0.000 1.135 110 T CB -0.316 68.526 68.868 -0.042 0.000 0.869 110 T HN 0.357 nan 8.240 nan 0.000 0.466 111 A N 1.622 124.406 122.820 -0.060 0.000 1.898 111 A HA 0.197 4.518 4.320 0.001 0.000 0.216 111 A C 2.432 179.993 177.584 -0.040 0.000 1.181 111 A CA 1.310 53.318 52.037 -0.048 0.000 0.620 111 A CB -0.870 18.095 19.000 -0.059 0.000 0.819 111 A HN 0.533 nan 8.150 nan 0.000 0.442 112 L N -0.713 120.481 121.223 -0.049 0.000 2.093 112 L HA -0.166 4.175 4.340 0.001 0.000 0.208 112 L C 2.505 179.358 176.870 -0.029 0.000 1.085 112 L CA 1.409 56.224 54.840 -0.041 0.000 0.755 112 L CB -0.501 41.527 42.059 -0.052 0.000 0.904 112 L HN 0.439 nan 8.230 nan 0.000 0.435 113 E N 0.229 120.410 120.200 -0.030 0.000 2.204 113 E HA -0.185 4.166 4.350 0.001 0.000 0.195 113 E C 0.806 177.401 176.600 -0.007 0.000 0.990 113 E CA 1.113 57.502 56.400 -0.019 0.000 0.821 113 E CB -0.110 29.577 29.700 -0.022 0.000 0.750 113 E HN 0.585 nan 8.360 nan 0.000 0.477 114 N N 0.498 119.192 118.700 -0.010 0.000 2.273 114 N HA -0.008 4.733 4.740 0.001 0.000 0.231 114 N C -0.361 175.150 175.510 0.001 0.000 1.134 114 N CA -0.132 52.917 53.050 -0.002 0.000 0.856 114 N CB 0.586 39.071 38.487 -0.004 0.000 1.068 114 N HN -0.079 nan 8.380 nan 0.000 0.510 115 Q N 2.144 121.943 119.800 -0.000 0.000 2.377 115 Q HA 0.270 4.610 4.340 0.001 0.000 0.249 115 Q C -2.542 173.465 176.000 0.012 0.000 1.005 115 Q CA -2.428 53.377 55.803 0.003 0.000 0.912 115 Q CB 0.573 29.308 28.738 -0.004 0.000 1.223 115 Q HN 0.037 nan 8.270 nan 0.000 0.459 116 P HA -0.015 nan 4.420 nan 0.000 0.266 116 P C -0.734 176.582 177.300 0.026 0.000 1.193 116 P CA 0.497 63.609 63.100 0.021 0.000 0.770 116 P CB 0.393 32.102 31.700 0.015 0.000 0.836 117 N N -2.632 116.092 118.700 0.039 0.000 2.965 117 N HA -0.221 4.519 4.740 0.001 0.000 0.232 117 N C -0.346 175.209 175.510 0.074 0.000 0.913 117 N CA 0.299 53.382 53.050 0.054 0.000 0.981 117 N CB -1.431 37.079 38.487 0.039 0.000 1.077 117 N HN 0.273 nan 8.380 nan 0.000 0.589 118 L N 1.294 122.550 121.223 0.055 0.000 2.313 118 L HA 0.629 4.969 4.340 0.001 0.000 0.283 118 L C -0.390 176.510 176.870 0.050 0.000 1.013 118 L CA -0.465 54.399 54.840 0.039 0.000 0.816 118 L CB 1.488 43.550 42.059 0.004 0.000 1.236 118 L HN 0.190 nan 8.230 nan 0.000 0.419 119 M N 5.949 125.578 119.600 0.048 0.000 2.268 119 M HA 0.574 5.054 4.480 0.001 0.000 0.344 119 M C -1.449 174.822 176.300 -0.048 0.000 1.106 119 M CA -0.367 54.960 55.300 0.045 0.000 1.010 119 M CB 1.123 33.808 32.600 0.141 0.000 1.649 119 M HN 0.576 nan 8.290 nan 0.000 0.443 120 I N 4.738 125.301 120.570 -0.010 0.000 2.359 120 I HA 0.395 4.565 4.170 0.001 0.000 0.294 120 I C -1.300 174.839 176.117 0.036 0.000 0.987 120 I CA -0.495 60.785 61.300 -0.034 0.000 1.225 120 I CB 1.271 39.246 38.000 -0.041 0.000 1.366 120 I HN 0.628 nan 8.210 nan 0.000 0.466 121 F N 5.255 125.093 119.950 -0.187 0.000 2.518 121 F HA 0.305 4.832 4.527 0.001 0.000 0.323 121 F C 0.041 175.777 175.800 -0.107 0.000 1.129 121 F CA -0.516 57.395 58.000 -0.148 0.000 0.920 121 F CB 1.722 40.583 39.000 -0.233 0.000 1.160 121 F HN 0.402 nan 8.300 nan 0.000 0.440 122 Q N 5.693 125.144 119.800 -0.581 0.000 2.402 122 Q HA 0.294 4.635 4.340 0.001 0.000 0.238 122 Q C -1.196 174.616 176.000 -0.313 0.000 1.126 122 Q CA -0.087 55.495 55.803 -0.367 0.000 0.904 122 Q CB 0.279 28.827 28.738 -0.316 0.000 1.357 122 Q HN 0.547 nan 8.270 nan 0.000 0.491 123 Q N 1.029 120.796 119.800 -0.054 0.000 2.426 123 Q HA 0.453 4.794 4.340 0.001 0.000 0.278 123 Q C -1.494 174.577 176.000 0.119 0.000 1.007 123 Q CA -0.483 55.366 55.803 0.076 0.000 0.850 123 Q CB 2.040 30.930 28.738 0.252 0.000 1.427 123 Q HN 0.708 nan 8.270 nan 0.000 0.391 124 A N 1.056 123.952 122.820 0.128 0.000 2.386 124 A HA 0.471 4.791 4.320 0.001 0.000 0.248 124 A C -0.158 177.496 177.584 0.117 0.000 1.082 124 A CA -0.304 51.811 52.037 0.129 0.000 0.789 124 A CB 0.638 19.701 19.000 0.106 0.000 1.025 124 A HN 0.407 nan 8.150 nan 0.000 0.490 125 V N 1.078 121.060 119.914 0.113 0.000 2.509 125 V HA 0.286 4.407 4.120 0.001 0.000 0.284 125 V C 0.938 177.082 176.094 0.082 0.000 1.047 125 V CA 0.223 62.575 62.300 0.088 0.000 0.952 125 V CB 1.312 33.167 31.823 0.053 0.000 0.988 125 V HN 1.148 nan 8.190 nan 0.000 0.469 126 E N 4.148 124.383 120.200 0.058 0.000 2.127 126 E HA 0.152 4.502 4.350 0.001 0.000 0.191 126 E C 0.199 176.822 176.600 0.039 0.000 0.964 126 E CA 0.872 57.304 56.400 0.052 0.000 0.832 126 E CB 0.318 30.039 29.700 0.036 0.000 0.790 126 E HN 0.874 nan 8.360 nan 0.000 0.465 127 D N -2.008 118.404 120.400 0.019 0.000 2.692 127 D HA 0.277 4.918 4.640 0.001 0.000 0.290 127 D C -1.428 174.868 176.300 -0.007 0.000 1.281 127 D CA -0.570 53.432 54.000 0.003 0.000 0.804 127 D CB 0.718 41.527 40.800 0.014 0.000 1.331 127 D HN 0.019 nan 8.370 nan 0.000 0.432 128 L N 0.943 122.160 121.223 -0.010 0.000 2.360 128 L HA 0.562 4.902 4.340 0.001 0.000 0.271 128 L C 0.040 176.929 176.870 0.032 0.000 1.057 128 L CA -0.954 53.891 54.840 0.008 0.000 0.803 128 L CB 1.256 43.314 42.059 -0.002 0.000 1.207 128 L HN 0.322 nan 8.230 nan 0.000 0.445 129 I N 2.237 122.842 120.570 0.059 0.000 2.304 129 I HA 0.308 4.478 4.170 0.001 0.000 0.291 129 I C -0.576 175.583 176.117 0.071 0.000 1.018 129 I CA -0.514 60.832 61.300 0.077 0.000 1.260 129 I CB 1.466 39.542 38.000 0.128 0.000 1.390 129 I HN 0.164 nan 8.210 nan 0.000 0.475 130 V N 5.985 125.932 119.914 0.055 0.000 2.540 130 V HA 0.421 4.542 4.120 0.001 0.000 0.302 130 V C -0.350 175.771 176.094 0.044 0.000 1.035 130 V CA -0.592 61.735 62.300 0.044 0.000 0.873 130 V CB 1.864 33.704 31.823 0.029 0.000 0.992 130 V HN 0.698 nan 8.190 nan 0.000 0.428 131 E N 3.871 124.096 120.200 0.041 0.000 2.265 131 E HA 0.423 4.774 4.350 0.001 0.000 0.262 131 E C -0.760 175.855 176.600 0.025 0.000 0.889 131 E CA -0.698 55.723 56.400 0.035 0.000 0.789 131 E CB 1.203 30.927 29.700 0.040 0.000 1.221 131 E HN 0.721 nan 8.360 nan 0.000 0.414 132 N N 3.642 122.354 118.700 0.020 0.000 2.738 132 N HA -0.186 4.555 4.740 0.001 0.000 0.249 132 N C -0.940 174.577 175.510 0.012 0.000 1.047 132 N CA 1.339 54.398 53.050 0.014 0.000 0.707 132 N CB -1.187 37.307 38.487 0.012 0.000 0.937 132 N HN 0.853 nan 8.380 nan 0.000 0.545 133 D N -2.542 117.866 120.400 0.014 0.000 3.041 133 D HA -0.233 4.408 4.640 0.001 0.000 0.220 133 D C 0.198 176.499 176.300 0.002 0.000 1.157 133 D CA 1.210 55.217 54.000 0.011 0.000 0.876 133 D CB -0.706 40.100 40.800 0.010 0.000 1.107 133 D HN 0.719 nan 8.370 nan 0.000 0.422 134 R N 0.598 121.104 120.500 0.011 0.000 2.575 134 R HA 0.456 4.796 4.340 0.001 0.000 0.293 134 R C -0.153 176.165 176.300 0.030 0.000 0.983 134 R CA -0.697 55.410 56.100 0.013 0.000 0.887 134 R CB 1.725 32.035 30.300 0.017 0.000 1.184 134 R HN -0.097 nan 8.270 nan 0.000 0.445 135 V N 2.455 122.392 119.914 0.037 0.000 2.715 135 V HA 0.227 4.347 4.120 0.001 0.000 0.299 135 V C 0.561 176.702 176.094 0.078 0.000 1.054 135 V CA -0.376 61.960 62.300 0.060 0.000 1.077 135 V CB 1.375 33.242 31.823 0.073 0.000 0.972 135 V HN 0.678 nan 8.190 nan 0.000 0.484 136 V N 2.254 122.224 119.914 0.093 0.000 3.400 136 V HA 0.640 4.761 4.120 0.001 0.000 0.281 136 V C 0.688 176.873 176.094 0.151 0.000 1.617 136 V CA 0.998 63.362 62.300 0.107 0.000 1.044 136 V CB 0.371 32.247 31.823 0.090 0.000 0.858 136 V HN 1.451 nan 8.190 nan 0.000 0.425 137 G N -0.051 108.839 108.800 0.150 0.000 2.327 137 G HA2 0.636 4.596 3.960 0.001 0.000 0.291 137 G HA3 0.636 4.596 3.960 0.001 0.000 0.291 137 G C -1.632 173.353 174.900 0.142 0.000 1.290 137 G CA 0.263 45.475 45.100 0.187 0.000 0.857 137 G HN 0.832 nan 8.290 nan 0.000 0.520 138 A N -1.107 121.812 122.820 0.165 0.000 2.449 138 A HA 0.831 5.152 4.320 0.001 0.000 0.302 138 A C -0.896 176.759 177.584 0.119 0.000 1.048 138 A CA -0.502 51.605 52.037 0.116 0.000 0.708 138 A CB 1.970 21.023 19.000 0.088 0.000 1.274 138 A HN 1.728 nan 8.150 nan 0.000 0.410 139 V N 1.983 121.927 119.914 0.050 0.000 2.398 139 V HA 0.609 4.729 4.120 0.001 0.000 0.286 139 V C 0.728 176.842 176.094 0.034 0.000 1.026 139 V CA -0.155 62.140 62.300 -0.007 0.000 0.868 139 V CB 1.302 33.099 31.823 -0.043 0.000 0.982 139 V HN 1.089 nan 8.190 nan 0.000 0.443 140 T N 1.034 115.612 114.554 0.040 0.000 2.902 140 T HA 0.255 4.606 4.350 0.001 0.000 0.280 140 T C 0.926 175.642 174.700 0.026 0.000 0.992 140 T CA -0.448 61.705 62.100 0.088 0.000 1.015 140 T CB 1.390 70.376 68.868 0.196 0.000 1.044 140 T HN 0.596 nan 8.240 nan 0.000 0.520 141 Q N 0.382 120.215 119.800 0.055 0.000 2.118 141 Q HA -0.237 4.103 4.340 0.001 0.000 0.211 141 Q C 2.146 178.149 176.000 0.004 0.000 0.998 141 Q CA 2.418 58.244 55.803 0.039 0.000 0.872 141 Q CB -0.395 28.378 28.738 0.058 0.000 0.925 141 Q HN 0.928 nan 8.270 nan 0.000 0.414 142 M N -2.811 116.792 119.600 0.004 0.000 2.630 142 M HA 0.120 4.600 4.480 0.001 0.000 0.254 142 M C 1.114 177.278 176.300 -0.226 0.000 1.092 142 M CA 1.688 56.970 55.300 -0.031 0.000 1.087 142 M CB 0.295 32.916 32.600 0.036 0.000 1.453 142 M HN 0.230 nan 8.290 nan 0.000 0.509 143 G N 1.371 109.953 108.800 -0.364 0.000 2.194 143 G HA2 -0.229 3.731 3.960 0.001 0.000 0.236 143 G HA3 -0.229 3.731 3.960 0.001 0.000 0.236 143 G C -0.256 174.350 174.900 -0.490 0.000 0.987 143 G CA 0.065 44.681 45.100 -0.807 0.000 0.635 143 G HN 0.500 nan 8.290 nan 0.000 0.520 144 L N 2.105 123.144 121.223 -0.307 0.000 2.462 144 L HA 0.543 4.884 4.340 0.001 0.000 0.272 144 L C 0.463 177.068 176.870 -0.442 0.000 1.166 144 L CA 0.077 54.706 54.840 -0.352 0.000 0.880 144 L CB 0.275 42.155 42.059 -0.298 0.000 1.142 144 L HN 0.224 nan 8.230 nan 0.000 0.473 145 K N 5.544 125.606 120.400 -0.564 0.000 2.164 145 K HA 0.505 4.826 4.320 0.001 0.000 0.258 145 K C -1.296 175.057 176.600 -0.412 0.000 0.951 145 K CA -0.443 55.551 56.287 -0.488 0.000 0.844 145 K CB 1.514 33.518 32.500 -0.828 0.000 1.099 145 K HN 0.320 nan 8.250 nan 0.000 0.435 146 F N 1.139 121.144 119.950 0.092 0.000 2.532 146 F HA 0.438 4.965 4.527 0.001 0.000 0.321 146 F C 0.431 176.413 175.800 0.304 0.000 1.089 146 F CA -1.013 57.126 58.000 0.232 0.000 0.926 146 F CB 1.638 40.673 39.000 0.058 0.000 1.168 146 F HN 0.170 nan 8.300 nan 0.000 0.459 147 R N 1.871 122.693 120.500 0.536 0.000 2.368 147 R HA 0.882 5.222 4.340 0.001 0.000 0.302 147 R C -0.833 175.674 176.300 0.345 0.000 1.002 147 R CA -0.845 55.469 56.100 0.357 0.000 0.929 147 R CB 1.598 32.018 30.300 0.200 0.000 1.073 147 R HN 0.763 nan 8.270 nan 0.000 0.464 148 A N 1.554 124.521 122.820 0.245 0.000 2.606 148 A HA 0.329 4.650 4.320 0.001 0.000 0.293 148 A C -0.221 177.451 177.584 0.147 0.000 1.082 148 A CA -0.871 51.294 52.037 0.213 0.000 0.685 148 A CB 1.598 20.715 19.000 0.194 0.000 1.284 148 A HN 0.757 nan 8.150 nan 0.000 0.408 149 K N 0.101 120.577 120.400 0.127 0.000 2.314 149 K HA 0.408 4.729 4.320 0.001 0.000 0.198 149 K C 0.519 177.191 176.600 0.121 0.000 1.045 149 K CA 1.251 57.600 56.287 0.104 0.000 0.988 149 K CB 0.417 32.967 32.500 0.083 0.000 0.783 149 K HN 0.814 nan 8.250 nan 0.000 0.484 150 A N 0.907 123.807 122.820 0.133 0.000 2.549 150 A HA 0.589 4.910 4.320 0.001 0.000 0.297 150 A C -1.325 176.350 177.584 0.152 0.000 1.061 150 A CA -0.639 51.502 52.037 0.173 0.000 0.690 150 A CB 1.943 21.034 19.000 0.152 0.000 1.287 150 A HN -0.084 nan 8.150 nan 0.000 0.402 151 V N 1.710 121.749 119.914 0.209 0.000 2.623 151 V HA 0.465 4.586 4.120 0.001 0.000 0.304 151 V C -0.668 175.566 176.094 0.234 0.000 1.054 151 V CA -0.585 61.810 62.300 0.158 0.000 0.882 151 V CB 1.786 33.677 31.823 0.113 0.000 1.002 151 V HN 0.739 nan 8.190 nan 0.000 0.424 152 V N 5.930 125.935 119.914 0.151 0.000 2.350 152 V HA 0.427 4.548 4.120 0.001 0.000 0.276 152 V C -0.058 176.106 176.094 0.117 0.000 1.028 152 V CA -0.429 61.980 62.300 0.182 0.000 0.860 152 V CB 1.599 33.486 31.823 0.106 0.000 0.990 152 V HN 0.648 nan 8.190 nan 0.000 0.453 153 L N 4.114 125.421 121.223 0.141 0.000 2.289 153 L HA 0.452 4.793 4.340 0.001 0.000 0.285 153 L C 0.811 177.704 176.870 0.038 0.000 1.049 153 L CA 0.262 55.101 54.840 -0.003 0.000 0.804 153 L CB 2.028 43.982 42.059 -0.175 0.000 1.195 153 L HN 0.760 nan 8.230 nan 0.000 0.428 154 T N 2.455 117.075 114.554 0.111 0.000 3.272 154 T HA 0.259 4.610 4.350 0.001 0.000 0.247 154 T C -0.639 174.164 174.700 0.171 0.000 0.990 154 T CA 0.090 62.270 62.100 0.134 0.000 1.213 154 T CB 0.836 69.763 68.868 0.099 0.000 1.124 154 T HN 0.309 nan 8.240 nan 0.000 0.401 155 V N -0.569 119.492 119.914 0.246 0.000 3.155 155 V HA 0.604 4.725 4.120 0.001 0.000 0.272 155 V C -1.080 175.029 176.094 0.026 0.000 1.639 155 V CA 0.365 62.668 62.300 0.005 0.000 1.006 155 V CB 1.562 33.364 31.823 -0.035 0.000 1.244 155 V HN 0.883 nan 8.190 nan 0.000 0.458 156 G N 2.363 110.988 108.800 -0.292 0.000 2.357 156 G HA2 0.221 4.181 3.960 0.001 0.000 0.289 156 G HA3 0.221 4.181 3.960 0.001 0.000 0.289 156 G C 0.329 174.990 174.900 -0.398 0.000 1.302 156 G CA 0.393 45.368 45.100 -0.209 0.000 0.936 156 G HN 0.920 nan 8.290 nan 0.000 0.513 157 T N 0.598 115.061 114.554 -0.152 0.000 2.881 157 T HA -0.018 4.333 4.350 0.001 0.000 0.270 157 T C 2.223 176.881 174.700 -0.071 0.000 1.068 157 T CA 2.751 64.789 62.100 -0.104 0.000 1.131 157 T CB -0.530 68.311 68.868 -0.045 0.000 0.871 157 T HN 0.659 nan 8.240 nan 0.000 0.479 158 F N 0.807 120.775 119.950 0.030 0.000 2.202 158 F HA 0.013 4.540 4.527 0.001 0.000 0.301 158 F C 1.831 177.679 175.800 0.080 0.000 1.082 158 F CA 0.738 58.771 58.000 0.055 0.000 1.313 158 F CB -1.102 37.934 39.000 0.061 0.000 1.024 158 F HN 0.075 nan 8.300 nan 0.000 0.495 159 L N -0.079 120.636 121.223 -0.845 0.000 1.970 159 L HA -0.124 4.216 4.340 0.001 0.000 0.212 159 L C 1.611 178.412 176.870 -0.115 0.000 1.071 159 L CA 2.207 56.772 54.840 -0.457 0.000 0.751 159 L CB -0.558 41.207 42.059 -0.490 0.000 0.889 159 L HN 0.527 nan 8.230 nan 0.000 0.432 160 D N -3.751 116.604 120.400 -0.075 0.000 5.416 160 D HA 0.137 4.778 4.640 0.001 0.000 0.302 160 D C -0.754 175.468 176.300 -0.129 0.000 1.927 160 D CA 0.598 54.559 54.000 -0.066 0.000 0.772 160 D CB -0.426 40.342 40.800 -0.054 0.000 2.731 160 D HN 0.374 nan 8.370 nan 0.000 0.467 161 G N 0.323 108.958 108.800 -0.275 0.000 3.448 161 G HA2 0.562 4.522 3.960 0.001 0.000 0.685 161 G HA3 0.562 4.522 3.960 0.001 0.000 0.685 161 G C -0.821 173.883 174.900 -0.326 0.000 1.151 161 G CA 0.543 45.338 45.100 -0.508 0.000 1.023 161 G HN 0.894 nan 8.290 nan 0.000 0.499 162 K N 3.121 123.326 120.400 -0.326 0.000 2.613 162 K HA 0.809 5.130 4.320 0.001 0.000 0.248 162 K C 0.214 176.621 176.600 -0.321 0.000 0.959 162 K CA -0.548 55.572 56.287 -0.279 0.000 0.855 162 K CB 1.116 33.512 32.500 -0.172 0.000 1.143 162 K HN 0.964 nan 8.250 nan 0.000 0.437 163 I N 3.260 123.617 120.570 -0.355 0.000 2.634 163 I HA 0.250 4.420 4.170 0.001 0.000 0.284 163 I C 0.053 175.927 176.117 -0.406 0.000 1.124 163 I CA -0.411 60.713 61.300 -0.293 0.000 1.417 163 I CB 0.712 38.495 38.000 -0.361 0.000 1.396 163 I HN 0.650 nan 8.210 nan 0.000 0.571 164 H N 5.987 125.073 119.070 0.027 0.000 2.840 164 H HA 0.543 5.100 4.556 0.001 0.000 0.340 164 H C -0.566 174.823 175.328 0.100 0.000 1.004 164 H CA -0.446 55.629 56.048 0.045 0.000 1.288 164 H CB 1.843 31.628 29.762 0.038 0.000 1.607 164 H HN 0.481 nan 8.280 nan 0.000 0.522 165 I N 1.060 121.733 120.570 0.172 0.000 2.448 165 I HA 0.660 4.830 4.170 0.001 0.000 0.281 165 I C 0.894 177.080 176.117 0.115 0.000 1.027 165 I CA 0.141 61.533 61.300 0.153 0.000 1.111 165 I CB 0.836 38.928 38.000 0.153 0.000 1.236 165 I HN 0.877 nan 8.210 nan 0.000 0.452 181 I N 4.135 124.737 120.570 0.053 0.000 7.754 181 I HA -0.121 4.050 4.170 0.001 0.000 0.126 181 I C -2.214 173.948 176.117 0.074 0.000 1.845 181 I CA -0.374 60.969 61.300 0.072 0.000 2.038 181 I CB -0.397 37.662 38.000 0.098 0.000 3.707 181 I HN 0.507 nan 8.210 nan 0.000 0.169 182 P HA -0.188 nan 4.420 nan 0.000 0.218 182 P C 1.549 178.881 177.300 0.052 0.000 1.146 182 P CA 0.948 64.078 63.100 0.050 0.000 0.813 182 P CB 0.235 31.958 31.700 0.039 0.000 0.778 183 L N -0.717 120.544 121.223 0.063 0.000 2.093 183 L HA -0.093 4.248 4.340 0.001 0.000 0.208 183 L C 2.060 178.994 176.870 0.107 0.000 1.085 183 L CA 1.924 56.791 54.840 0.046 0.000 0.755 183 L CB -1.350 40.710 42.059 0.001 0.000 0.904 183 L HN -0.123 nan 8.230 nan 0.000 0.435 184 S N -0.432 115.370 115.700 0.171 0.000 2.348 184 S HA -0.155 4.315 4.470 0.001 0.000 0.221 184 S C 2.008 176.700 174.600 0.153 0.000 1.033 184 S CA 1.132 59.461 58.200 0.214 0.000 1.010 184 S CB -0.362 62.947 63.200 0.181 0.000 0.891 184 S HN 0.426 nan 8.310 nan 0.000 0.442 185 R N 0.942 121.501 120.500 0.097 0.000 2.096 185 R HA -0.121 4.219 4.340 0.001 0.000 0.240 185 R C 2.652 178.979 176.300 0.045 0.000 1.139 185 R CA 1.594 57.732 56.100 0.064 0.000 0.952 185 R CB -0.330 29.997 30.300 0.045 0.000 0.854 185 R HN 0.373 nan 8.270 nan 0.000 0.436 186 R N 0.563 121.085 120.500 0.036 0.000 2.073 186 R HA -0.158 4.183 4.340 0.001 0.000 0.234 186 R C 1.981 178.269 176.300 -0.020 0.000 1.134 186 R CA 1.383 57.486 56.100 0.005 0.000 0.952 186 R CB -0.178 30.122 30.300 0.000 0.000 0.850 186 R HN 0.067 nan 8.270 nan 0.000 0.433 187 L N 0.901 122.117 121.223 -0.010 0.000 2.109 187 L HA -0.005 4.336 4.340 0.001 0.000 0.207 187 L C 2.466 179.305 176.870 -0.051 0.000 1.086 187 L CA 1.610 56.389 54.840 -0.102 0.000 0.760 187 L CB -0.684 41.285 42.059 -0.150 0.000 0.910 187 L HN 0.143 nan 8.230 nan 0.000 0.437 188 R N -0.442 120.113 120.500 0.092 0.000 2.120 188 R HA -0.130 4.211 4.340 0.001 0.000 0.234 188 R C 1.839 178.145 176.300 0.011 0.000 1.123 188 R CA 1.118 57.282 56.100 0.106 0.000 0.975 188 R CB -0.084 30.287 30.300 0.119 0.000 0.866 188 R HN 0.436 nan 8.270 nan 0.000 0.446 189 E N -0.099 120.090 120.200 -0.018 0.000 2.481 189 E HA 0.031 4.382 4.350 0.001 0.000 0.195 189 E C -0.129 176.413 176.600 -0.097 0.000 1.047 189 E CA -0.044 56.330 56.400 -0.043 0.000 0.867 189 E CB 0.254 29.940 29.700 -0.024 0.000 0.858 189 E HN 0.230 nan 8.360 nan 0.000 0.513 190 L N 1.630 122.760 121.223 -0.154 0.000 2.456 190 L HA 0.173 4.513 4.340 0.001 0.000 0.257 190 L C -1.573 175.074 176.870 -0.372 0.000 1.162 190 L CA -1.880 52.782 54.840 -0.296 0.000 0.808 190 L CB 0.083 41.916 42.059 -0.376 0.000 1.136 190 L HN -0.142 nan 8.230 nan 0.000 0.466 191 P HA 0.024 nan 4.420 nan 0.000 0.285 191 P C -0.229 176.795 177.300 -0.460 0.000 1.521 191 P CA 0.409 63.224 63.100 -0.475 0.000 0.792 191 P CB -0.263 31.175 31.700 -0.437 0.000 1.613 192 L N 0.636 121.627 121.223 -0.387 0.000 2.380 192 L HA 0.169 4.509 4.340 0.001 0.000 0.273 192 L C 1.121 178.050 176.870 0.097 0.000 1.138 192 L CA -0.254 54.518 54.840 -0.113 0.000 0.832 192 L CB 0.497 42.456 42.059 -0.166 0.000 1.124 192 L HN -0.074 nan 8.230 nan 0.000 0.454 193 R N 2.679 123.282 120.500 0.171 0.000 2.202 193 R HA 0.389 4.730 4.340 0.001 0.000 0.334 193 R C -0.854 175.499 176.300 0.088 0.000 1.036 193 R CA -0.601 55.568 56.100 0.115 0.000 0.878 193 R CB 1.193 31.540 30.300 0.080 0.000 1.067 193 R HN 0.319 nan 8.270 nan 0.000 0.457 194 V N 2.599 122.494 119.914 -0.032 0.000 2.509 194 V HA 0.496 4.617 4.120 0.001 0.000 0.284 194 V C 0.905 176.719 176.094 -0.466 0.000 1.047 194 V CA -0.483 61.638 62.300 -0.298 0.000 0.952 194 V CB 1.476 33.161 31.823 -0.230 0.000 0.988 194 V HN 0.950 nan 8.190 nan 0.000 0.469 195 G N 3.868 112.101 108.800 -0.945 0.000 2.735 195 G HA2 0.715 4.675 3.960 0.001 0.000 0.301 195 G HA3 0.715 4.675 3.960 0.001 0.000 0.301 195 G C -0.992 173.584 174.900 -0.541 0.000 1.279 195 G CA -0.840 43.713 45.100 -0.913 0.000 1.019 195 G HN 0.432 nan 8.290 nan 0.000 0.497 196 R N -0.433 120.018 120.500 -0.082 0.000 2.599 196 R HA 0.506 4.847 4.340 0.001 0.000 0.295 196 R C -0.942 175.552 176.300 0.322 0.000 0.963 196 R CA -0.678 55.492 56.100 0.117 0.000 0.883 196 R CB 1.761 32.088 30.300 0.044 0.000 1.171 196 R HN 0.375 nan 8.270 nan 0.000 0.450 197 L N 1.677 123.094 121.223 0.324 0.000 2.331 197 L HA 0.545 4.885 4.340 0.001 0.000 0.275 197 L C 0.748 177.718 176.870 0.166 0.000 1.022 197 L CA -0.435 54.532 54.840 0.210 0.000 0.812 197 L CB 1.555 43.710 42.059 0.161 0.000 1.257 197 L HN 0.652 nan 8.230 nan 0.000 0.435 198 K N 1.882 122.346 120.400 0.106 0.000 3.206 198 K HA 0.362 4.682 4.320 0.001 0.000 0.180 198 K C 0.115 176.763 176.600 0.080 0.000 1.088 198 K CA -0.460 55.877 56.287 0.084 0.000 0.872 198 K CB 0.230 32.747 32.500 0.028 0.000 0.976 198 K HN 0.635 nan 8.250 nan 0.000 0.564 199 T N 0.626 115.254 114.554 0.123 0.000 2.769 199 T HA 0.356 4.706 4.350 0.001 0.000 0.353 199 T C 0.862 175.611 174.700 0.083 0.000 1.081 199 T CA 1.250 63.417 62.100 0.112 0.000 1.118 199 T CB 0.544 69.523 68.868 0.185 0.000 1.042 199 T HN 0.907 nan 8.240 nan 0.000 0.541 200 G N -0.268 108.552 108.800 0.033 0.000 2.677 200 G HA2 0.569 4.530 3.960 0.001 0.000 0.291 200 G HA3 0.569 4.530 3.960 0.001 0.000 0.291 200 G C -1.334 173.491 174.900 -0.125 0.000 1.435 200 G CA -0.460 44.609 45.100 -0.051 0.000 0.826 200 G HN 0.745 nan 8.290 nan 0.000 0.491 201 T N 1.877 116.248 114.554 -0.305 0.000 2.912 201 T HA 0.759 5.110 4.350 0.001 0.000 0.299 201 T C -2.670 171.839 174.700 -0.319 0.000 1.052 201 T CA -1.065 60.836 62.100 -0.332 0.000 0.996 201 T CB 2.738 71.223 68.868 -0.638 0.000 1.070 201 T HN 0.443 nan 8.240 nan 0.000 0.465 202 P HA 0.438 nan 4.420 nan 0.000 0.280 202 P C -2.875 174.262 177.300 -0.271 0.000 1.272 202 P CA -2.041 60.855 63.100 -0.340 0.000 0.819 202 P CB -0.028 31.379 31.700 -0.487 0.000 1.122 203 P HA 0.175 nan 4.420 nan 0.000 0.269 203 P C -0.353 176.882 177.300 -0.109 0.000 1.209 203 P CA 0.177 63.229 63.100 -0.081 0.000 0.776 203 P CB 0.401 32.058 31.700 -0.071 0.000 0.876 204 R N 2.229 122.715 120.500 -0.024 0.000 2.368 204 R HA 0.530 4.870 4.340 0.001 0.000 0.302 204 R C 0.034 176.348 176.300 0.023 0.000 1.002 204 R CA -0.557 55.544 56.100 0.000 0.000 0.929 204 R CB 0.451 30.789 30.300 0.064 0.000 1.073 204 R HN 0.414 nan 8.270 nan 0.000 0.464 205 I N 1.453 122.035 120.570 0.019 0.000 2.474 205 I HA 0.194 4.365 4.170 0.001 0.000 0.294 205 I C -0.207 175.931 176.117 0.034 0.000 1.005 205 I CA -1.155 60.151 61.300 0.011 0.000 1.113 205 I CB 1.656 39.641 38.000 -0.026 0.000 1.289 205 I HN 0.519 nan 8.210 nan 0.000 0.436 206 D N 4.426 124.843 120.400 0.028 0.000 2.339 206 D HA 0.274 4.915 4.640 0.001 0.000 0.256 206 D C 1.042 177.364 176.300 0.037 0.000 1.214 206 D CA -0.057 53.966 54.000 0.039 0.000 0.877 206 D CB 1.574 42.394 40.800 0.032 0.000 1.111 206 D HN 0.647 nan 8.370 nan 0.000 0.478 207 A N 4.921 127.794 122.820 0.089 0.000 1.986 207 A HA -0.226 4.094 4.320 0.001 0.000 0.220 207 A C 1.947 179.623 177.584 0.153 0.000 1.171 207 A CA 1.275 53.418 52.037 0.178 0.000 0.640 207 A CB -0.253 18.890 19.000 0.238 0.000 0.811 207 A HN 0.681 nan 8.150 nan 0.000 0.451 208 R N -0.338 120.212 120.500 0.084 0.000 2.280 208 R HA -0.020 4.320 4.340 0.001 0.000 0.207 208 R C 1.531 177.834 176.300 0.004 0.000 1.043 208 R CA 1.377 57.511 56.100 0.056 0.000 1.006 208 R CB -0.433 29.890 30.300 0.039 0.000 0.885 208 R HN 0.666 nan 8.270 nan 0.000 0.467 209 T N -2.781 111.753 114.554 -0.032 0.000 3.092 209 T HA 0.350 4.701 4.350 0.001 0.000 0.258 209 T C 0.484 175.096 174.700 -0.147 0.000 1.031 209 T CA -0.328 61.732 62.100 -0.067 0.000 0.925 209 T CB 0.104 68.945 68.868 -0.045 0.000 1.036 209 T HN -0.055 nan 8.240 nan 0.000 0.544 210 I N 1.855 122.273 120.570 -0.253 0.000 2.460 210 I HA 0.410 4.581 4.170 0.001 0.000 0.298 210 I C -0.601 175.204 176.117 -0.519 0.000 0.989 210 I CA -0.966 60.036 61.300 -0.496 0.000 1.173 210 I CB 1.690 39.144 38.000 -0.910 0.000 1.338 210 I HN 0.010 nan 8.210 nan 0.000 0.456 211 D N 5.169 125.313 120.400 -0.428 0.000 2.500 211 D HA 0.211 4.852 4.640 0.001 0.000 0.219 211 D C 0.447 176.574 176.300 -0.289 0.000 1.137 211 D CA -0.222 53.622 54.000 -0.260 0.000 0.946 211 D CB 0.274 40.989 40.800 -0.142 0.000 1.022 211 D HN 0.265 nan 8.370 nan 0.000 0.518 212 F N 1.121 120.958 119.950 -0.188 0.000 2.502 212 F HA -0.091 4.436 4.527 0.001 0.000 0.298 212 F C 2.662 178.411 175.800 -0.085 0.000 1.111 212 F CA 0.665 58.486 58.000 -0.299 0.000 1.445 212 F CB -0.313 38.273 39.000 -0.691 0.000 1.081 212 F HN 0.357 nan 8.300 nan 0.000 0.558 213 S N -0.037 115.733 115.700 0.116 0.000 2.442 213 S HA -0.134 4.337 4.470 0.001 0.000 0.236 213 S C 1.764 176.423 174.600 0.098 0.000 1.007 213 S CA 1.106 59.376 58.200 0.116 0.000 0.965 213 S CB -1.178 62.066 63.200 0.075 0.000 0.773 213 S HN 0.309 nan 8.310 nan 0.000 0.504 214 V N -1.603 118.350 119.914 0.064 0.000 3.647 214 V HA 0.499 4.620 4.120 0.001 0.000 0.279 214 V C 0.187 176.331 176.094 0.084 0.000 1.314 214 V CA -0.358 61.975 62.300 0.054 0.000 1.125 214 V CB -0.924 30.907 31.823 0.013 0.000 0.907 214 V HN 0.407 nan 8.190 nan 0.000 0.434 215 L N 1.318 122.629 121.223 0.147 0.000 2.333 215 L HA 0.882 5.223 4.340 0.001 0.000 0.269 215 L C 0.517 177.531 176.870 0.239 0.000 1.010 215 L CA -0.649 54.301 54.840 0.184 0.000 0.818 215 L CB 1.658 43.844 42.059 0.212 0.000 1.306 215 L HN 0.141 nan 8.230 nan 0.000 0.430 216 A N 1.941 124.856 122.820 0.159 0.000 2.388 216 A HA 0.417 4.737 4.320 0.001 0.000 0.257 216 A C -0.359 177.236 177.584 0.020 0.000 1.095 216 A CA -0.171 51.925 52.037 0.098 0.000 0.791 216 A CB 0.357 19.401 19.000 0.074 0.000 1.029 216 A HN 0.758 nan 8.150 nan 0.000 0.489 217 Q N 0.203 119.932 119.800 -0.118 0.000 2.214 217 Q HA 0.468 4.809 4.340 0.001 0.000 0.251 217 Q C -0.556 175.288 176.000 -0.259 0.000 0.936 217 Q CA -0.388 55.162 55.803 -0.422 0.000 0.894 217 Q CB 1.656 30.097 28.738 -0.495 0.000 1.252 217 Q HN 0.760 nan 8.270 nan 0.000 0.448 218 Q N 2.189 121.779 119.800 -0.350 0.000 2.303 218 Q HA 0.234 4.574 4.340 0.001 0.000 0.267 218 Q C -1.326 174.503 176.000 -0.285 0.000 1.011 218 Q CA -0.402 55.296 55.803 -0.175 0.000 0.740 218 Q CB 1.030 29.764 28.738 -0.006 0.000 1.250 218 Q HN 0.701 nan 8.270 nan 0.000 0.458 219 H N 1.353 120.386 119.070 -0.063 0.000 2.508 219 H HA 0.401 4.957 4.556 0.001 0.000 0.344 219 H C 0.367 175.676 175.328 -0.031 0.000 1.192 219 H CA -0.080 55.937 56.048 -0.052 0.000 1.290 219 H CB 1.505 31.241 29.762 -0.043 0.000 1.571 219 H HN 0.798 nan 8.280 nan 0.000 0.555 220 G N 0.191 109.062 108.800 0.119 0.000 2.616 220 G HA2 0.031 3.992 3.960 0.001 0.000 0.268 220 G HA3 0.031 3.992 3.960 0.001 0.000 0.268 220 G C -0.331 174.616 174.900 0.079 0.000 1.213 220 G CA -0.501 44.646 45.100 0.079 0.000 0.926 220 G HN 0.510 nan 8.290 nan 0.000 0.523 221 D N -0.780 119.658 120.400 0.062 0.000 2.362 221 D HA 0.155 4.795 4.640 0.001 0.000 0.242 221 D C -0.063 176.260 176.300 0.038 0.000 1.132 221 D CA 0.500 54.524 54.000 0.041 0.000 0.907 221 D CB 0.919 41.733 40.800 0.024 0.000 1.195 221 D HN 0.389 nan 8.370 nan 0.000 0.429 222 N N 0.800 119.511 118.700 0.018 0.000 2.461 222 N HA 0.299 5.040 4.740 0.001 0.000 0.284 222 N C -2.368 173.142 175.510 -0.000 0.000 1.049 222 N CA -1.163 51.892 53.050 0.008 0.000 0.889 222 N CB 1.318 39.804 38.487 -0.002 0.000 1.365 222 N HN 0.210 nan 8.380 nan 0.000 0.499 223 P HA 0.150 nan 4.420 nan 0.000 0.272 223 P C -0.605 176.691 177.300 -0.008 0.000 1.230 223 P CA -0.154 62.940 63.100 -0.010 0.000 0.788 223 P CB 0.843 32.530 31.700 -0.021 0.000 0.949 224 M N 2.304 121.899 119.600 -0.007 0.000 2.246 224 M HA 0.154 4.634 4.480 0.001 0.000 0.350 224 M C -1.831 174.436 176.300 -0.056 0.000 1.406 224 M CA -1.329 53.973 55.300 0.003 0.000 1.089 224 M CB -0.121 32.511 32.600 0.054 0.000 1.782 224 M HN 0.254 nan 8.290 nan 0.000 0.457 225 P HA 0.079 nan 4.420 nan 0.000 0.269 225 P C -1.034 176.143 177.300 -0.205 0.000 1.211 225 P CA -0.193 62.848 63.100 -0.099 0.000 0.781 225 P CB 0.445 32.124 31.700 -0.034 0.000 0.877 226 V N 2.484 122.295 119.914 -0.172 0.000 2.604 226 V HA 0.228 4.349 4.120 0.001 0.000 0.305 226 V C 0.625 176.683 176.094 -0.060 0.000 1.043 226 V CA -0.186 62.036 62.300 -0.129 0.000 0.888 226 V CB 1.513 33.256 31.823 -0.133 0.000 0.995 226 V HN 0.446 nan 8.190 nan 0.000 0.429 227 F N 1.691 121.662 119.950 0.036 0.000 2.270 227 F HA 0.140 4.668 4.527 0.001 0.000 0.295 227 F C 1.764 177.472 175.800 -0.152 0.000 1.087 227 F CA 1.100 59.102 58.000 0.003 0.000 1.365 227 F CB 0.380 39.463 39.000 0.139 0.000 1.056 227 F HN 0.508 nan 8.300 nan 0.000 0.506 228 S N -0.738 115.042 115.700 0.134 0.000 2.584 228 S HA 0.138 4.608 4.470 0.001 0.000 0.273 228 S C 0.907 175.456 174.600 -0.084 0.000 1.311 228 S CA -0.561 57.658 58.200 0.031 0.000 1.034 228 S CB 0.341 63.602 63.200 0.101 0.000 0.939 228 S HN 0.127 nan 8.310 nan 0.000 0.513 229 F N 2.406 122.426 119.950 0.116 0.000 2.333 229 F HA -0.012 4.516 4.527 0.001 0.000 0.300 229 F C 2.036 177.879 175.800 0.073 0.000 1.083 229 F CA 0.672 58.727 58.000 0.091 0.000 1.395 229 F CB -0.148 38.917 39.000 0.108 0.000 1.056 229 F HN 0.470 nan 8.300 nan 0.000 0.529 230 M N -0.521 119.207 119.600 0.213 0.000 2.510 230 M HA 0.219 4.700 4.480 0.001 0.000 0.256 230 M C 1.447 177.789 176.300 0.071 0.000 1.132 230 M CA 0.216 55.599 55.300 0.138 0.000 1.105 230 M CB -1.372 31.305 32.600 0.128 0.000 1.375 230 M HN -0.008 nan 8.290 nan 0.000 0.477 231 G N 1.547 110.374 108.800 0.046 0.000 2.616 231 G HA2 0.337 4.297 3.960 0.001 0.000 0.268 231 G HA3 0.337 4.297 3.960 0.001 0.000 0.268 231 G C -0.279 174.586 174.900 -0.057 0.000 1.213 231 G CA -0.437 44.658 45.100 -0.008 0.000 0.926 231 G HN 0.554 nan 8.290 nan 0.000 0.523 232 N N -2.784 115.844 118.700 -0.121 0.000 2.571 232 N HA 0.537 5.278 4.740 0.001 0.000 0.273 232 N C 0.626 175.919 175.510 -0.361 0.000 1.340 232 N CA -0.153 52.791 53.050 -0.177 0.000 0.789 232 N CB 1.592 40.009 38.487 -0.116 0.000 1.514 232 N HN 0.453 nan 8.380 nan 0.000 0.499 233 A N -0.263 122.311 122.820 -0.410 0.000 2.167 233 A HA -0.016 4.304 4.320 0.001 0.000 0.214 233 A C 1.802 179.086 177.584 -0.500 0.000 1.151 233 A CA 1.151 52.777 52.037 -0.685 0.000 0.735 233 A CB -1.108 17.669 19.000 -0.371 0.000 0.802 233 A HN 0.784 nan 8.150 nan 0.000 0.467 234 S N -0.510 115.022 115.700 -0.280 0.000 2.515 234 S HA -0.140 4.331 4.470 0.001 0.000 0.231 234 S C 1.581 176.102 174.600 -0.131 0.000 0.987 234 S CA 0.980 59.087 58.200 -0.155 0.000 0.936 234 S CB -0.371 62.770 63.200 -0.097 0.000 0.766 234 S HN 0.692 nan 8.310 nan 0.000 0.528 235 Q N 0.164 119.846 119.800 -0.197 0.000 2.311 235 Q HA 0.054 4.394 4.340 0.001 0.000 0.203 235 Q C -0.069 175.953 176.000 0.037 0.000 0.954 235 Q CA 0.461 56.216 55.803 -0.081 0.000 0.885 235 Q CB -0.100 28.597 28.738 -0.069 0.000 0.963 235 Q HN 0.659 nan 8.270 nan 0.000 0.471 236 H N 1.518 120.578 119.070 -0.018 0.000 2.897 236 H HA 0.077 4.634 4.556 0.001 0.000 0.347 236 H C -1.703 173.661 175.328 0.060 0.000 1.068 236 H CA -1.719 54.353 56.048 0.041 0.000 1.426 236 H CB -0.281 29.477 29.762 -0.007 0.000 1.410 236 H HN 0.149 nan 8.280 nan 0.000 0.597 237 P HA 0.049 nan 4.420 nan 0.000 0.307 237 P C -0.115 177.263 177.300 0.131 0.000 1.306 237 P CA -0.695 62.487 63.100 0.137 0.000 0.742 237 P CB 0.734 32.502 31.700 0.114 0.000 1.349 238 Q N -0.095 119.759 119.800 0.091 0.000 2.361 238 Q HA -0.010 4.330 4.340 0.001 0.000 0.276 238 Q C -0.379 175.673 176.000 0.086 0.000 1.022 238 Q CA 0.173 56.023 55.803 0.079 0.000 0.898 238 Q CB 0.298 29.070 28.738 0.057 0.000 1.246 238 Q HN 0.238 nan 8.270 nan 0.000 0.410 239 Q N 2.054 121.908 119.800 0.089 0.000 2.222 239 Q HA 0.518 4.859 4.340 0.001 0.000 0.252 239 Q C -0.539 175.502 176.000 0.069 0.000 0.926 239 Q CA -0.487 55.369 55.803 0.090 0.000 0.899 239 Q CB 1.864 30.671 28.738 0.115 0.000 1.250 239 Q HN 0.551 nan 8.270 nan 0.000 0.441 240 V N -1.555 118.384 119.914 0.042 0.000 3.007 240 V HA 0.724 4.844 4.120 0.001 0.000 0.311 240 V C -2.670 173.388 176.094 -0.059 0.000 1.120 240 V CA -2.384 59.922 62.300 0.011 0.000 0.980 240 V CB 1.992 33.815 31.823 0.001 0.000 1.033 240 V HN 0.594 nan 8.190 nan 0.000 0.429 241 P HA 0.369 nan 4.420 nan 0.000 0.274 241 P C -0.586 176.563 177.300 -0.252 0.000 1.237 241 P CA -0.200 62.644 63.100 -0.427 0.000 0.793 241 P CB 1.052 32.224 31.700 -0.880 0.000 0.977 242 C N 1.340 120.512 119.300 -0.213 0.000 2.366 242 C HA 0.503 4.963 4.460 0.001 0.000 0.345 242 C C 0.329 175.261 174.990 -0.097 0.000 1.209 242 C CA -0.202 58.810 59.018 -0.010 0.000 2.050 242 C CB -0.499 27.300 27.740 0.099 0.000 2.359 242 C HN 0.503 nan 8.230 nan 0.000 0.527 243 Y N 1.014 121.362 120.300 0.079 0.000 2.519 243 Y HA 0.749 5.300 4.550 0.001 0.000 0.324 243 Y C 0.423 176.337 175.900 0.023 0.000 1.214 243 Y CA -0.848 57.307 58.100 0.091 0.000 1.260 243 Y CB 0.787 39.395 38.460 0.246 0.000 1.311 243 Y HN 0.391 nan 8.280 nan 0.000 0.505 244 I N 0.705 121.326 120.570 0.085 0.000 2.533 244 I HA 0.417 4.588 4.170 0.001 0.000 0.290 244 I C -0.320 175.637 176.117 -0.268 0.000 1.056 244 I CA -0.479 60.677 61.300 -0.240 0.000 1.057 244 I CB 2.264 40.049 38.000 -0.359 0.000 1.240 244 I HN 0.553 nan 8.210 nan 0.000 0.423 245 T N 3.550 117.849 114.554 -0.424 0.000 2.742 245 T HA 0.588 4.939 4.350 0.001 0.000 0.282 245 T C -1.317 172.977 174.700 -0.675 0.000 1.025 245 T CA -0.451 61.424 62.100 -0.375 0.000 1.020 245 T CB 1.437 70.208 68.868 -0.163 0.000 1.317 245 T HN 0.586 nan 8.240 nan 0.000 0.538 246 H N 0.149 119.163 119.070 -0.094 0.000 2.894 246 H HA 0.311 4.868 4.556 0.001 0.000 0.367 246 H C -0.429 174.865 175.328 -0.056 0.000 1.144 246 H CA -0.685 55.319 56.048 -0.073 0.000 1.180 246 H CB 1.607 31.325 29.762 -0.072 0.000 1.758 246 H HN 0.523 nan 8.280 nan 0.000 0.541 247 T N 2.686 117.302 114.554 0.104 0.000 2.946 247 T HA 0.017 4.368 4.350 0.001 0.000 0.311 247 T C 0.446 175.109 174.700 -0.061 0.000 1.063 247 T CA 0.405 62.543 62.100 0.063 0.000 1.139 247 T CB -0.089 68.962 68.868 0.304 0.000 0.994 247 T HN 0.714 nan 8.240 nan 0.000 0.547 248 N N 0.809 119.346 118.700 -0.271 0.000 2.831 248 N HA 0.295 5.036 4.740 0.001 0.000 0.276 248 N C 0.592 175.717 175.510 -0.640 0.000 1.416 248 N CA -0.960 51.892 53.050 -0.331 0.000 0.799 248 N CB 0.671 39.059 38.487 -0.166 0.000 1.554 248 N HN 0.500 nan 8.380 nan 0.000 0.541 249 E N -0.181 119.795 120.200 -0.374 0.000 2.160 249 E HA -0.187 4.163 4.350 0.001 0.000 0.195 249 E C 0.831 177.331 176.600 -0.167 0.000 0.991 249 E CA 1.361 57.620 56.400 -0.236 0.000 0.810 249 E CB 0.043 29.714 29.700 -0.049 0.000 0.742 249 E HN 0.535 nan 8.360 nan 0.000 0.466 250 K N -0.398 119.912 120.400 -0.150 0.000 2.032 250 K HA -0.132 4.189 4.320 0.001 0.000 0.209 250 K C 2.231 178.772 176.600 -0.099 0.000 1.048 250 K CA 1.824 58.053 56.287 -0.097 0.000 0.927 250 K CB -0.277 32.173 32.500 -0.083 0.000 0.712 250 K HN 0.146 nan 8.250 nan 0.000 0.441 251 T N 0.606 115.064 114.554 -0.161 0.000 2.665 251 T HA -0.192 4.159 4.350 0.001 0.000 0.268 251 T C 1.666 176.360 174.700 -0.011 0.000 1.035 251 T CA 1.765 63.796 62.100 -0.114 0.000 1.151 251 T CB -0.573 68.213 68.868 -0.137 0.000 0.862 251 T HN 0.458 nan 8.240 nan 0.000 0.438 252 H N 0.824 119.900 119.070 0.010 0.000 2.389 252 H HA -0.044 4.513 4.556 0.001 0.000 0.299 252 H C 2.253 177.583 175.328 0.002 0.000 1.081 252 H CA 0.845 56.903 56.048 0.017 0.000 1.345 252 H CB -0.044 29.736 29.762 0.030 0.000 1.393 252 H HN 0.269 nan 8.280 nan 0.000 0.520 253 D N 0.598 121.055 120.400 0.096 0.000 2.097 253 D HA -0.135 4.506 4.640 0.001 0.000 0.195 253 D C 2.410 178.725 176.300 0.025 0.000 0.989 253 D CA 0.808 54.835 54.000 0.046 0.000 0.827 253 D CB -0.493 40.317 40.800 0.017 0.000 0.966 253 D HN 0.126 nan 8.370 nan 0.000 0.456 254 V N 1.427 121.346 119.914 0.008 0.000 2.250 254 V HA -0.288 3.833 4.120 0.001 0.000 0.250 254 V C 2.578 178.673 176.094 0.002 0.000 1.060 254 V CA 1.482 63.779 62.300 -0.006 0.000 1.030 254 V CB -0.488 31.320 31.823 -0.025 0.000 0.643 254 V HN 0.169 nan 8.190 nan 0.000 0.445 255 I N -0.726 119.856 120.570 0.019 0.000 2.127 255 I HA -0.285 3.885 4.170 0.001 0.000 0.241 255 I C 2.724 178.849 176.117 0.013 0.000 1.075 255 I CA 1.853 63.163 61.300 0.016 0.000 1.334 255 I CB -0.444 37.576 38.000 0.034 0.000 1.040 255 I HN 0.191 nan 8.210 nan 0.000 0.405 256 R N 0.099 120.614 120.500 0.025 0.000 2.105 256 R HA -0.124 4.217 4.340 0.001 0.000 0.239 256 R C 2.322 178.627 176.300 0.008 0.000 1.135 256 R CA 1.604 57.713 56.100 0.016 0.000 0.967 256 R CB -0.409 29.905 30.300 0.024 0.000 0.861 256 R HN 0.279 nan 8.270 nan 0.000 0.442 257 S N 0.660 116.364 115.700 0.007 0.000 2.474 257 S HA -0.002 4.468 4.470 0.001 0.000 0.235 257 S C 0.942 175.542 174.600 -0.000 0.000 0.997 257 S CA 0.767 58.968 58.200 0.002 0.000 0.949 257 S CB -0.008 63.192 63.200 -0.000 0.000 0.766 257 S HN 0.350 nan 8.310 nan 0.000 0.517 258 N N 0.502 119.202 118.700 -0.001 0.000 2.235 258 N HA 0.292 5.033 4.740 0.001 0.000 0.231 258 N C 0.765 176.273 175.510 -0.003 0.000 1.177 258 N CA -0.004 53.044 53.050 -0.003 0.000 0.874 258 N CB 0.425 38.908 38.487 -0.007 0.000 1.097 258 N HN 0.313 nan 8.380 nan 0.000 0.518 259 L N 1.084 122.305 121.223 -0.003 0.000 2.141 259 L HA -0.168 4.173 4.340 0.001 0.000 0.209 259 L C 1.961 178.828 176.870 -0.005 0.000 1.094 259 L CA 1.083 55.919 54.840 -0.006 0.000 0.763 259 L CB -0.355 41.700 42.059 -0.007 0.000 0.908 259 L HN 0.140 nan 8.230 nan 0.000 0.437 260 D N 0.890 121.289 120.400 -0.003 0.000 2.191 260 D HA -0.280 4.361 4.640 0.001 0.000 0.195 260 D C 1.321 177.622 176.300 0.001 0.000 1.003 260 D CA 1.361 55.360 54.000 -0.001 0.000 0.867 260 D CB -0.455 40.345 40.800 0.001 0.000 0.926 260 D HN 0.372 nan 8.370 nan 0.000 0.450 261 R N 1.023 121.524 120.500 0.002 0.000 3.541 261 R HA 0.221 4.562 4.340 0.001 0.000 0.277 261 R C 0.311 176.615 176.300 0.006 0.000 1.539 261 R CA 0.274 56.378 56.100 0.008 0.000 1.338 261 R CB -0.162 30.144 30.300 0.011 0.000 1.343 261 R HN 0.298 nan 8.270 nan 0.000 0.623 279 S N 0.455 116.125 115.700 -0.050 0.000 2.579 279 S HA 0.151 4.622 4.470 0.001 0.000 0.275 279 S C 1.500 176.045 174.600 -0.092 0.000 1.345 279 S CA -0.369 57.793 58.200 -0.063 0.000 1.031 279 S CB 0.648 63.816 63.200 -0.053 0.000 0.892 279 S HN 0.264 nan 8.310 nan 0.000 0.529 280 I N 2.962 123.473 120.570 -0.098 0.000 2.208 280 I HA -0.175 3.996 4.170 0.001 0.000 0.245 280 I C 2.426 178.477 176.117 -0.110 0.000 1.097 280 I CA 1.691 62.916 61.300 -0.126 0.000 1.363 280 I CB -0.651 37.294 38.000 -0.091 0.000 1.051 280 I HN 0.848 nan 8.210 nan 0.000 0.413 281 E N 0.002 120.159 120.200 -0.071 0.000 2.110 281 E HA -0.307 4.044 4.350 0.001 0.000 0.193 281 E C 1.777 178.342 176.600 -0.059 0.000 0.988 281 E CA 1.854 58.222 56.400 -0.053 0.000 0.804 281 E CB -1.010 28.668 29.700 -0.036 0.000 0.745 281 E HN 0.657 nan 8.360 nan 0.000 0.458 282 D N 1.163 121.525 120.400 -0.063 0.000 2.117 282 D HA -0.134 4.506 4.640 0.001 0.000 0.198 282 D C 1.991 178.248 176.300 -0.072 0.000 0.982 282 D CA 1.545 55.512 54.000 -0.056 0.000 0.828 282 D CB 0.066 40.838 40.800 -0.047 0.000 0.967 282 D HN 0.092 nan 8.370 nan 0.000 0.464 283 K N -0.187 120.142 120.400 -0.118 0.000 2.063 283 K HA -0.105 4.215 4.320 0.001 0.000 0.208 283 K C 2.185 178.705 176.600 -0.132 0.000 1.048 283 K CA 1.090 57.274 56.287 -0.172 0.000 0.928 283 K CB -0.181 32.084 32.500 -0.392 0.000 0.713 283 K HN 0.105 nan 8.250 nan 0.000 0.442 284 V N 1.580 121.410 119.914 -0.139 0.000 2.295 284 V HA -0.265 3.856 4.120 0.001 0.000 0.246 284 V C 2.280 178.329 176.094 -0.075 0.000 1.049 284 V CA 1.677 63.911 62.300 -0.110 0.000 1.024 284 V CB -0.352 31.420 31.823 -0.085 0.000 0.648 284 V HN 0.344 nan 8.190 nan 0.000 0.447 285 M N -0.752 118.817 119.600 -0.053 0.000 2.149 285 M HA -0.207 4.274 4.480 0.001 0.000 0.261 285 M C 2.243 178.526 176.300 -0.028 0.000 1.064 285 M CA 1.913 57.193 55.300 -0.035 0.000 1.102 285 M CB -0.346 32.237 32.600 -0.028 0.000 1.369 285 M HN 0.155 nan 8.290 nan 0.000 0.408 286 R N -1.541 118.944 120.500 -0.025 0.000 2.300 286 R HA 0.147 4.488 4.340 0.001 0.000 0.199 286 R C 0.399 176.700 176.300 0.002 0.000 0.920 286 R CA 0.045 56.139 56.100 -0.011 0.000 1.046 286 R CB 0.091 30.386 30.300 -0.008 0.000 0.984 286 R HN 0.290 nan 8.270 nan 0.000 0.493 287 F N -0.953 118.998 119.950 0.002 0.000 2.613 287 F HA 0.733 5.260 4.527 0.001 0.000 0.342 287 F C 1.297 177.074 175.800 -0.039 0.000 1.066 287 F CA -0.917 57.091 58.000 0.013 0.000 1.002 287 F CB 0.403 39.477 39.000 0.124 0.000 1.319 287 F HN 0.035 nan 8.300 nan 0.000 0.495 288 A N -0.943 121.846 122.820 -0.050 0.000 1.855 288 A HA 0.329 4.649 4.320 0.001 0.000 0.213 288 A C 1.237 178.788 177.584 -0.055 0.000 1.195 288 A CA 2.190 54.199 52.037 -0.047 0.000 0.610 288 A CB -0.535 18.445 19.000 -0.034 0.000 0.837 288 A HN 1.179 nan 8.150 nan 0.000 0.444 289 D N -3.306 117.048 120.400 -0.076 0.000 1.681 289 D HA -0.157 4.483 4.640 0.001 0.000 0.256 289 D C 1.597 177.931 176.300 0.055 0.000 0.724 289 D CA 1.130 55.152 54.000 0.036 0.000 1.240 289 D CB -1.240 39.601 40.800 0.069 0.000 1.444 289 D HN 0.530 nan 8.370 nan 0.000 0.777 290 R N 1.497 121.996 120.500 -0.002 0.000 2.152 290 R HA -0.008 4.333 4.340 0.001 0.000 0.232 290 R C 0.194 176.464 176.300 -0.049 0.000 1.117 290 R CA 1.103 57.192 56.100 -0.019 0.000 0.981 290 R CB -0.472 29.814 30.300 -0.023 0.000 0.870 290 R HN 0.109 nan 8.270 nan 0.000 0.451 291 N N 3.215 121.862 118.700 -0.088 0.000 2.605 291 N HA 0.026 4.766 4.740 0.001 0.000 0.258 291 N C -0.812 174.519 175.510 -0.298 0.000 1.156 291 N CA 0.270 53.219 53.050 -0.169 0.000 1.008 291 N CB 0.938 39.320 38.487 -0.175 0.000 1.354 291 N HN 0.373 nan 8.380 nan 0.000 0.509 292 Q N 1.332 121.036 119.800 -0.159 0.000 2.297 292 Q HA 0.106 4.447 4.340 0.001 0.000 0.267 292 Q C -0.413 175.526 176.000 -0.102 0.000 1.006 292 Q CA -0.026 55.722 55.803 -0.091 0.000 0.896 292 Q CB 0.462 29.177 28.738 -0.038 0.000 1.186 292 Q HN 0.486 nan 8.270 nan 0.000 0.392 293 H N 1.278 120.440 119.070 0.154 0.000 2.610 293 H HA 0.083 4.640 4.556 0.001 0.000 0.336 293 H C -0.276 175.095 175.328 0.071 0.000 1.087 293 H CA -0.220 55.890 56.048 0.103 0.000 1.405 293 H CB 0.647 30.460 29.762 0.084 0.000 1.460 293 H HN 0.427 nan 8.280 nan 0.000 0.538 294 Q N 2.367 122.246 119.800 0.131 0.000 2.304 294 Q HA 0.176 4.517 4.340 0.001 0.000 0.260 294 Q C -0.597 175.263 176.000 -0.232 0.000 0.965 294 Q CA -0.267 55.444 55.803 -0.153 0.000 0.898 294 Q CB 0.725 29.349 28.738 -0.191 0.000 1.196 294 Q HN 0.465 nan 8.270 nan 0.000 0.402 295 I N 4.072 124.387 120.570 -0.424 0.000 2.410 295 I HA 0.271 4.441 4.170 0.001 0.000 0.286 295 I C -0.697 175.200 176.117 -0.366 0.000 1.009 295 I CA -0.529 60.623 61.300 -0.247 0.000 1.111 295 I CB 0.556 38.469 38.000 -0.145 0.000 1.262 295 I HN 0.493 nan 8.210 nan 0.000 0.443 296 F N 5.944 125.882 119.950 -0.019 0.000 2.411 296 F HA 0.376 4.903 4.527 0.001 0.000 0.355 296 F C 0.557 176.391 175.800 0.056 0.000 1.117 296 F CA -0.473 57.532 58.000 0.009 0.000 1.139 296 F CB 0.958 39.960 39.000 0.004 0.000 1.120 296 F HN 0.193 nan 8.300 nan 0.000 0.493 297 L N 4.708 126.067 121.223 0.226 0.000 2.328 297 L HA 0.271 4.611 4.340 0.001 0.000 0.280 297 L C -0.107 176.918 176.870 0.258 0.000 1.111 297 L CA -0.201 54.774 54.840 0.224 0.000 0.909 297 L CB -0.107 42.098 42.059 0.243 0.000 1.277 297 L HN 0.582 nan 8.230 nan 0.000 0.433 298 E N 4.679 125.021 120.200 0.237 0.000 2.229 298 E HA 0.250 4.601 4.350 0.001 0.000 0.283 298 E C -2.284 174.409 176.600 0.154 0.000 1.030 298 E CA -2.010 54.494 56.400 0.172 0.000 0.836 298 E CB 0.822 30.601 29.700 0.133 0.000 1.068 298 E HN 0.262 nan 8.360 nan 0.000 0.401 299 P HA -0.031 nan 4.420 nan 0.000 0.268 299 P C 0.179 177.514 177.300 0.059 0.000 1.205 299 P CA 0.023 63.173 63.100 0.083 0.000 0.771 299 P CB 0.684 32.411 31.700 0.045 0.000 0.858 300 E N 1.258 121.501 120.200 0.071 0.000 2.427 300 E HA 0.124 4.475 4.350 0.001 0.000 0.196 300 E C 1.077 177.693 176.600 0.026 0.000 1.028 300 E CA 0.634 57.065 56.400 0.051 0.000 0.864 300 E CB 0.029 29.776 29.700 0.079 0.000 0.813 300 E HN 0.694 nan 8.360 nan 0.000 0.514 301 G N -0.453 108.364 108.800 0.028 0.000 2.321 301 G HA2 0.119 4.080 3.960 0.001 0.000 0.298 301 G HA3 0.119 4.080 3.960 0.001 0.000 0.298 301 G C 0.060 174.975 174.900 0.025 0.000 1.385 301 G CA -0.809 44.304 45.100 0.022 0.000 0.856 301 G HN 0.013 nan 8.290 nan 0.000 0.584 302 L N -0.040 121.198 121.223 0.025 0.000 2.275 302 L HA 0.094 4.435 4.340 0.001 0.000 0.215 302 L C 2.361 179.246 176.870 0.024 0.000 1.119 302 L CA 1.818 56.672 54.840 0.024 0.000 0.790 302 L CB -0.232 41.845 42.059 0.029 0.000 0.919 302 L HN 0.714 nan 8.230 nan 0.000 0.443 303 T N -4.701 109.869 114.554 0.026 0.000 3.275 303 T HA 0.249 4.600 4.350 0.001 0.000 0.265 303 T C 0.149 174.866 174.700 0.027 0.000 0.978 303 T CA -0.382 61.732 62.100 0.025 0.000 0.923 303 T CB 0.339 69.221 68.868 0.023 0.000 1.126 303 T HN 0.048 nan 8.240 nan 0.000 0.538 304 S N 0.372 116.090 115.700 0.031 0.000 2.547 304 S HA 0.484 4.954 4.470 0.001 0.000 0.281 304 S C -0.017 174.609 174.600 0.043 0.000 1.118 304 S CA -0.720 57.503 58.200 0.038 0.000 0.947 304 S CB 1.167 64.393 63.200 0.043 0.000 1.053 304 S HN 0.196 nan 8.310 nan 0.000 0.482 305 N N 2.534 121.263 118.700 0.048 0.000 2.383 305 N HA 0.156 4.897 4.740 0.001 0.000 0.192 305 N C -0.244 175.312 175.510 0.077 0.000 1.141 305 N CA 0.220 53.306 53.050 0.060 0.000 0.851 305 N CB 0.265 38.784 38.487 0.054 0.000 0.976 305 N HN 0.683 nan 8.380 nan 0.000 0.465 306 E N 0.212 120.458 120.200 0.076 0.000 2.319 306 E HA 0.292 4.643 4.350 0.001 0.000 0.268 306 E C -0.207 176.461 176.600 0.114 0.000 1.050 306 E CA -0.318 56.135 56.400 0.090 0.000 0.878 306 E CB 1.593 31.346 29.700 0.087 0.000 1.066 306 E HN -0.050 nan 8.360 nan 0.000 0.406 307 I N 2.437 123.080 120.570 0.122 0.000 2.498 307 I HA 0.162 4.332 4.170 0.001 0.000 0.290 307 I C -1.028 175.181 176.117 0.153 0.000 1.032 307 I CA -0.680 60.710 61.300 0.149 0.000 1.073 307 I CB 1.244 39.334 38.000 0.149 0.000 1.251 307 I HN 0.586 nan 8.210 nan 0.000 0.426 308 Y N 8.661 128.995 120.300 0.055 0.000 2.385 308 Y HA 0.429 4.979 4.550 0.001 0.000 0.341 308 Y C -2.088 173.839 175.900 0.045 0.000 0.965 308 Y CA -2.093 56.029 58.100 0.038 0.000 1.180 308 Y CB 1.365 39.842 38.460 0.029 0.000 1.139 308 Y HN 0.285 nan 8.280 nan 0.000 0.502 309 P HA 0.076 nan 4.420 nan 0.000 0.274 309 P C -1.044 176.218 177.300 -0.063 0.000 1.504 309 P CA -0.045 63.023 63.100 -0.055 0.000 1.011 309 P CB 0.224 31.858 31.700 -0.111 0.000 1.366 310 N N 2.690 121.484 118.700 0.157 0.000 2.431 310 N HA 0.298 5.038 4.740 0.001 0.000 0.265 310 N C 1.125 176.717 175.510 0.137 0.000 1.184 310 N CA 0.441 53.627 53.050 0.226 0.000 0.943 310 N CB -0.063 38.612 38.487 0.313 0.000 1.080 310 N HN 0.556 nan 8.380 nan 0.000 0.477 311 G N 3.236 112.073 108.800 0.062 0.000 2.480 311 G HA2 -0.197 3.764 3.960 0.001 0.000 0.193 311 G HA3 -0.197 3.764 3.960 0.001 0.000 0.193 311 G C 0.511 175.385 174.900 -0.044 0.000 1.004 311 G CA 0.112 45.225 45.100 0.022 0.000 0.696 311 G HN 0.664 nan 8.290 nan 0.000 0.478 312 I N 0.439 120.962 120.570 -0.078 0.000 3.805 312 I HA 0.579 4.750 4.170 0.001 0.000 0.337 312 I C 0.285 176.326 176.117 -0.128 0.000 1.539 312 I CA -0.458 60.781 61.300 -0.102 0.000 1.176 312 I CB 0.533 38.473 38.000 -0.100 0.000 1.248 312 I HN -0.057 nan 8.210 nan 0.000 0.437 313 S N 2.271 117.898 115.700 -0.121 0.000 2.546 313 S HA 0.287 4.758 4.470 0.001 0.000 0.290 313 S C 0.450 174.995 174.600 -0.093 0.000 1.290 313 S CA 0.137 58.265 58.200 -0.119 0.000 1.069 313 S CB 0.339 63.489 63.200 -0.084 0.000 0.846 313 S HN 0.681 nan 8.310 nan 0.000 0.495 314 T N -0.494 114.007 114.554 -0.089 0.000 2.894 314 T HA 0.446 4.796 4.350 0.001 0.000 0.309 314 T C 0.145 174.827 174.700 -0.030 0.000 1.208 314 T CA -1.028 61.038 62.100 -0.057 0.000 1.016 314 T CB 1.618 70.455 68.868 -0.052 0.000 1.192 314 T HN 0.413 nan 8.240 nan 0.000 0.491 315 S N 0.580 116.277 115.700 -0.006 0.000 2.537 315 S HA 0.405 4.875 4.470 0.001 0.000 0.246 315 S C 0.168 174.788 174.600 0.033 0.000 1.036 315 S CA -0.689 57.532 58.200 0.035 0.000 1.041 315 S CB -0.745 62.475 63.200 0.032 0.000 0.799 315 S HN 0.565 nan 8.310 nan 0.000 0.456 316 L N 1.632 122.863 121.223 0.014 0.000 2.379 316 L HA 0.522 4.862 4.340 0.001 0.000 0.269 316 L C -2.299 174.589 176.870 0.031 0.000 1.084 316 L CA -2.712 52.135 54.840 0.011 0.000 0.802 316 L CB 0.749 42.800 42.059 -0.014 0.000 1.175 316 L HN 0.038 nan 8.230 nan 0.000 0.448 317 P HA -0.072 nan 4.420 nan 0.000 0.270 317 P C 0.400 177.744 177.300 0.075 0.000 1.227 317 P CA -0.121 63.026 63.100 0.078 0.000 0.788 317 P CB 0.387 32.128 31.700 0.067 0.000 0.926 318 F N 2.113 122.070 119.950 0.012 0.000 2.154 318 F HA -0.261 4.266 4.527 0.001 0.000 0.301 318 F C 1.903 177.702 175.800 -0.002 0.000 1.087 318 F CA 2.273 60.277 58.000 0.006 0.000 1.274 318 F CB -0.360 38.646 39.000 0.009 0.000 1.009 318 F HN 0.379 nan 8.300 nan 0.000 0.485 319 D N -0.206 120.183 120.400 -0.018 0.000 2.123 319 D HA -0.146 4.494 4.640 0.001 0.000 0.200 319 D C 2.063 178.273 176.300 -0.150 0.000 0.976 319 D CA 1.760 55.713 54.000 -0.079 0.000 0.831 319 D CB -0.862 39.969 40.800 0.052 0.000 0.974 319 D HN 0.306 nan 8.370 nan 0.000 0.469 320 V N 1.279 121.131 119.914 -0.103 0.000 2.287 320 V HA -0.295 3.826 4.120 0.001 0.000 0.248 320 V C 2.844 178.844 176.094 -0.156 0.000 1.053 320 V CA 1.994 64.234 62.300 -0.100 0.000 1.027 320 V CB -0.936 30.853 31.823 -0.056 0.000 0.646 320 V HN 0.203 nan 8.190 nan 0.000 0.447 321 Q N -0.779 118.890 119.800 -0.219 0.000 2.061 321 Q HA -0.275 4.066 4.340 0.001 0.000 0.204 321 Q C 2.282 178.093 176.000 -0.315 0.000 0.984 321 Q CA 2.340 57.988 55.803 -0.258 0.000 0.846 321 Q CB -0.299 28.263 28.738 -0.294 0.000 0.902 321 Q HN 0.678 nan 8.270 nan 0.000 0.421 322 M N 0.395 119.715 119.600 -0.467 0.000 2.175 322 M HA -0.240 4.241 4.480 0.001 0.000 0.264 322 M C 1.893 178.068 176.300 -0.208 0.000 1.063 322 M CA 1.613 56.687 55.300 -0.377 0.000 1.119 322 M CB 0.145 32.469 32.600 -0.459 0.000 1.377 322 M HN 0.111 nan 8.290 nan 0.000 0.415 323 Q N 0.256 119.952 119.800 -0.173 0.000 2.050 323 Q HA -0.154 4.186 4.340 0.001 0.000 0.202 323 Q C 2.015 177.953 176.000 -0.103 0.000 0.980 323 Q CA 2.015 57.750 55.803 -0.113 0.000 0.840 323 Q CB -0.289 28.396 28.738 -0.088 0.000 0.898 323 Q HN 0.590 nan 8.270 nan 0.000 0.424 324 I N -0.000 120.504 120.570 -0.109 0.000 2.151 324 I HA -0.315 3.856 4.170 0.001 0.000 0.243 324 I C 2.199 178.256 176.117 -0.100 0.000 1.080 324 I CA 1.076 62.321 61.300 -0.092 0.000 1.339 324 I CB -0.335 37.613 38.000 -0.088 0.000 1.039 324 I HN 0.065 nan 8.210 nan 0.000 0.409 325 V N 0.579 120.418 119.914 -0.124 0.000 2.295 325 V HA -0.248 3.872 4.120 0.001 0.000 0.246 325 V C 2.368 178.397 176.094 -0.108 0.000 1.049 325 V CA 1.839 64.067 62.300 -0.120 0.000 1.024 325 V CB -0.725 31.018 31.823 -0.134 0.000 0.648 325 V HN 0.374 nan 8.190 nan 0.000 0.447 326 R N 0.578 121.015 120.500 -0.105 0.000 2.276 326 R HA -0.026 4.314 4.340 0.001 0.000 0.203 326 R C 2.341 178.593 176.300 -0.080 0.000 1.017 326 R CA 1.035 57.081 56.100 -0.090 0.000 1.010 326 R CB -0.270 29.981 30.300 -0.082 0.000 0.900 326 R HN 0.690 nan 8.270 nan 0.000 0.469 327 S N -0.184 115.467 115.700 -0.081 0.000 2.515 327 S HA 0.022 4.493 4.470 0.001 0.000 0.231 327 S C 0.980 175.533 174.600 -0.078 0.000 0.987 327 S CA 0.358 58.512 58.200 -0.077 0.000 0.936 327 S CB 0.080 63.232 63.200 -0.080 0.000 0.766 327 S HN 0.100 nan 8.310 nan 0.000 0.528 328 M N 1.773 121.325 119.600 -0.080 0.000 2.367 328 M HA 0.299 4.780 4.480 0.001 0.000 0.339 328 M C 0.060 176.317 176.300 -0.072 0.000 1.177 328 M CA -0.446 54.810 55.300 -0.073 0.000 1.068 328 M CB 1.546 34.100 32.600 -0.077 0.000 1.602 328 M HN 0.226 nan 8.290 nan 0.000 0.457 329 Q N 0.950 120.719 119.800 -0.051 0.000 2.283 329 Q HA 0.104 4.445 4.340 0.001 0.000 0.301 329 Q C 0.930 176.882 176.000 -0.081 0.000 1.063 329 Q CA 1.552 57.326 55.803 -0.048 0.000 0.952 329 Q CB 0.284 29.016 28.738 -0.010 0.000 1.166 329 Q HN 0.976 nan 8.270 nan 0.000 0.381 330 G N 3.768 112.509 108.800 -0.098 0.000 2.284 330 G HA2 -0.230 3.731 3.960 0.001 0.000 0.247 330 G HA3 -0.230 3.731 3.960 0.001 0.000 0.247 330 G C 0.509 175.292 174.900 -0.194 0.000 1.012 330 G CA 0.422 45.427 45.100 -0.158 0.000 0.618 330 G HN 0.607 nan 8.290 nan 0.000 0.521 331 M N 0.474 119.981 119.600 -0.154 0.000 2.404 331 M HA 0.314 4.794 4.480 0.001 0.000 0.271 331 M C 1.545 177.774 176.300 -0.118 0.000 1.128 331 M CA 0.469 55.677 55.300 -0.153 0.000 0.982 331 M CB 0.258 32.776 32.600 -0.137 0.000 1.445 331 M HN 0.280 nan 8.290 nan 0.000 0.495 332 E N 1.569 121.708 120.200 -0.102 0.000 2.153 332 E HA -0.088 4.262 4.350 0.001 0.000 0.194 332 E C 1.120 177.678 176.600 -0.070 0.000 0.988 332 E CA 1.000 57.353 56.400 -0.079 0.000 0.811 332 E CB 0.016 29.677 29.700 -0.066 0.000 0.746 332 E HN 0.397 nan 8.360 nan 0.000 0.466 333 N N -0.096 118.559 118.700 -0.075 0.000 2.204 333 N HA 0.217 4.957 4.740 0.001 0.000 0.219 333 N C -0.638 174.834 175.510 -0.063 0.000 1.151 333 N CA 0.116 53.130 53.050 -0.060 0.000 0.867 333 N CB 0.819 39.273 38.487 -0.054 0.000 1.043 333 N HN 0.039 nan 8.380 nan 0.000 0.516 334 A N 1.341 124.112 122.820 -0.082 0.000 2.445 334 A HA 0.266 4.587 4.320 0.001 0.000 0.242 334 A C 0.368 177.924 177.584 -0.046 0.000 1.075 334 A CA 0.115 52.103 52.037 -0.082 0.000 0.777 334 A CB 0.473 19.406 19.000 -0.111 0.000 1.013 334 A HN 0.092 nan 8.150 nan 0.000 0.493 335 K N 2.310 122.697 120.400 -0.022 0.000 2.259 335 K HA 0.560 4.881 4.320 0.001 0.000 0.252 335 K C -1.185 175.438 176.600 0.039 0.000 0.936 335 K CA -0.483 55.817 56.287 0.021 0.000 0.810 335 K CB 1.934 34.456 32.500 0.037 0.000 1.143 335 K HN 0.585 nan 8.250 nan 0.000 0.427 336 I N 2.514 123.140 120.570 0.094 0.000 2.416 336 I HA -0.030 4.141 4.170 0.001 0.000 0.288 336 I C 1.241 177.442 176.117 0.139 0.000 1.051 336 I CA -0.339 61.040 61.300 0.132 0.000 1.375 336 I CB 1.193 39.332 38.000 0.232 0.000 1.407 336 I HN 0.433 nan 8.210 nan 0.000 0.516 337 V N 5.946 125.918 119.914 0.096 0.000 2.492 337 V HA 0.090 4.211 4.120 0.001 0.000 0.241 337 V C 0.853 176.995 176.094 0.080 0.000 1.041 337 V CA 0.940 63.284 62.300 0.074 0.000 1.057 337 V CB -0.302 31.557 31.823 0.060 0.000 0.711 337 V HN 0.659 nan 8.190 nan 0.000 0.468 338 R N 1.473 122.032 120.500 0.099 0.000 2.439 338 R HA 0.395 4.735 4.340 0.001 0.000 0.310 338 R C -2.788 173.604 176.300 0.154 0.000 0.955 338 R CA -1.928 54.240 56.100 0.114 0.000 0.853 338 R CB 1.732 32.105 30.300 0.121 0.000 1.171 338 R HN 0.198 nan 8.270 nan 0.000 0.449 339 P HA 0.009 nan 4.420 nan 0.000 0.272 339 P C 0.107 177.539 177.300 0.220 0.000 1.223 339 P CA -0.097 63.166 63.100 0.272 0.000 0.784 339 P CB 0.761 32.645 31.700 0.307 0.000 0.923 340 G N 1.121 109.995 108.800 0.123 0.000 2.572 340 G HA2 0.533 4.493 3.960 0.001 0.000 0.261 340 G HA3 0.533 4.493 3.960 0.001 0.000 0.261 340 G C -1.114 173.841 174.900 0.092 0.000 1.197 340 G CA -0.338 44.747 45.100 -0.026 0.000 0.870 340 G HN 0.663 nan 8.290 nan 0.000 0.548 341 Y N -2.880 117.446 120.300 0.044 0.000 2.741 341 Y HA 0.700 5.251 4.550 0.001 0.000 0.339 341 Y C -0.384 175.553 175.900 0.061 0.000 1.226 341 Y CA -1.520 56.614 58.100 0.055 0.000 1.072 341 Y CB 0.767 39.256 38.460 0.049 0.000 1.331 341 Y HN 0.854 nan 8.280 nan 0.000 0.453 342 A N 1.953 124.950 122.820 0.295 0.000 2.324 342 A HA 0.850 5.171 4.320 0.001 0.000 0.330 342 A C -0.992 176.813 177.584 0.368 0.000 1.165 342 A CA -0.900 51.277 52.037 0.233 0.000 0.813 342 A CB 0.393 19.470 19.000 0.129 0.000 1.197 342 A HN 0.690 nan 8.150 nan 0.000 0.484 343 I N 0.481 121.216 120.570 0.275 0.000 2.441 343 I HA 0.507 4.677 4.170 0.001 0.000 0.295 343 I C 0.004 176.171 176.117 0.084 0.000 0.994 343 I CA -0.409 60.979 61.300 0.147 0.000 1.144 343 I CB 1.861 39.910 38.000 0.081 0.000 1.314 343 I HN 0.666 nan 8.210 nan 0.000 0.445 344 E N 4.367 124.566 120.200 -0.002 0.000 2.176 344 E HA 0.510 4.860 4.350 0.001 0.000 0.267 344 E C -1.838 174.677 176.600 -0.142 0.000 0.893 344 E CA -0.637 55.772 56.400 0.015 0.000 0.761 344 E CB 1.684 31.434 29.700 0.083 0.000 1.133 344 E HN 0.465 nan 8.360 nan 0.000 0.409 345 Y N 1.156 121.480 120.300 0.041 0.000 2.536 345 Y HA 0.244 4.795 4.550 0.001 0.000 0.347 345 Y C 0.090 175.988 175.900 -0.003 0.000 1.000 345 Y CA -1.048 57.049 58.100 -0.005 0.000 1.051 345 Y CB 1.440 39.892 38.460 -0.014 0.000 1.259 345 Y HN 0.412 nan 8.280 nan 0.000 0.468 346 D N 2.083 122.537 120.400 0.090 0.000 2.339 346 D HA 0.273 4.913 4.640 0.001 0.000 0.245 346 D C -0.633 175.624 176.300 -0.072 0.000 1.115 346 D CA 0.407 54.349 54.000 -0.097 0.000 0.917 346 D CB 0.830 41.475 40.800 -0.259 0.000 1.192 346 D HN 0.405 nan 8.370 nan 0.000 0.428 347 F N -0.909 118.851 119.950 -0.317 0.000 2.675 347 F HA 0.706 5.234 4.527 0.002 0.000 0.324 347 F C -1.539 173.973 175.800 -0.480 0.000 1.106 347 F CA -1.338 56.473 58.000 -0.314 0.000 0.970 347 F CB 0.916 39.858 39.000 -0.096 0.000 1.385 347 F HN 0.013 nan 8.300 nan 0.000 0.489 348 F N 0.867 120.955 119.950 0.231 0.000 2.495 348 F HA 0.281 4.809 4.527 0.000 0.000 0.327 348 F C 0.207 176.195 175.800 0.313 0.000 1.103 348 F CA -0.915 57.185 58.000 0.166 0.000 0.949 348 F CB 1.115 40.312 39.000 0.327 0.000 1.142 348 F HN 0.534 nan 8.300 nan 0.000 0.457 349 D N 5.428 126.032 120.400 0.341 0.000 2.451 349 D HA 0.008 4.648 4.640 0.001 0.000 0.254 349 D C -1.538 174.955 176.300 0.321 0.000 1.204 349 D CA -0.810 53.388 54.000 0.330 0.000 0.896 349 D CB 1.296 42.216 40.800 0.200 0.000 1.136 349 D HN 0.235 nan 8.370 nan 0.000 0.499 350 P HA -0.020 nan 4.420 nan 0.000 0.242 350 P C 0.946 178.321 177.300 0.125 0.000 1.197 350 P CA 0.282 63.515 63.100 0.223 0.000 0.765 350 P CB 0.289 32.107 31.700 0.197 0.000 0.936 351 R N 0.154 120.725 120.500 0.118 0.000 2.241 351 R HA -0.059 4.282 4.340 0.001 0.000 0.224 351 R C 1.049 177.371 176.300 0.036 0.000 1.101 351 R CA 0.936 57.076 56.100 0.066 0.000 0.995 351 R CB -0.519 29.823 30.300 0.071 0.000 0.870 351 R HN 0.131 nan 8.270 nan 0.000 0.463 352 D N 0.011 120.454 120.400 0.071 0.000 2.323 352 D HA 0.065 4.705 4.640 0.001 0.000 0.239 352 D C -0.213 176.007 176.300 -0.133 0.000 1.129 352 D CA 0.519 54.534 54.000 0.025 0.000 0.865 352 D CB 0.171 41.130 40.800 0.266 0.000 0.913 352 D HN 0.163 nan 8.370 nan 0.000 0.517 353 L N 0.348 121.507 121.223 -0.106 0.000 2.334 353 L HA 0.350 4.690 4.340 0.001 0.000 0.273 353 L C 0.837 177.623 176.870 -0.139 0.000 1.013 353 L CA -1.010 53.732 54.840 -0.162 0.000 0.816 353 L CB 2.017 44.028 42.059 -0.081 0.000 1.278 353 L HN -0.370 nan 8.230 nan 0.000 0.431 354 K N 2.226 122.525 120.400 -0.169 0.000 2.187 354 K HA 0.122 4.442 4.320 0.001 0.000 0.247 354 K C -1.651 174.910 176.600 -0.066 0.000 1.019 354 K CA -1.299 54.917 56.287 -0.119 0.000 0.893 354 K CB 0.459 32.881 32.500 -0.129 0.000 1.025 354 K HN 0.349 nan 8.250 nan 0.000 0.500 355 P HA -0.066 nan 4.420 nan 0.000 0.242 355 P C 0.635 177.913 177.300 -0.037 0.000 1.197 355 P CA 0.943 64.014 63.100 -0.047 0.000 0.765 355 P CB -0.161 31.500 31.700 -0.064 0.000 0.936 356 T N -3.790 110.769 114.554 0.008 0.000 3.129 356 T HA 0.154 4.504 4.350 0.001 0.000 0.251 356 T C 1.118 175.939 174.700 0.202 0.000 1.117 356 T CA -0.148 62.009 62.100 0.095 0.000 1.034 356 T CB -0.829 68.145 68.868 0.177 0.000 0.968 356 T HN 0.011 nan 8.240 nan 0.000 0.526 357 L N -0.681 120.612 121.223 0.118 0.000 4.759 357 L HA -0.159 4.182 4.340 0.001 0.000 0.419 357 L C 0.381 177.288 176.870 0.062 0.000 1.093 357 L CA 0.543 55.473 54.840 0.150 0.000 1.037 357 L CB -1.899 40.303 42.059 0.238 0.000 2.095 357 L HN 0.513 nan 8.230 nan 0.000 0.739 358 E N 1.013 121.105 120.200 -0.181 0.000 2.338 358 E HA 0.294 4.644 4.350 0.001 0.000 0.272 358 E C 0.451 176.748 176.600 -0.507 0.000 1.029 358 E CA 0.134 56.110 56.400 -0.707 0.000 0.872 358 E CB 1.247 30.415 29.700 -0.887 0.000 1.015 358 E HN 0.147 nan 8.360 nan 0.000 0.417 359 S N 2.945 118.287 115.700 -0.596 0.000 2.552 359 S HA -0.020 4.450 4.470 0.001 0.000 0.289 359 S C 0.747 175.075 174.600 -0.453 0.000 1.304 359 S CA 0.186 58.055 58.200 -0.552 0.000 1.063 359 S CB 0.504 63.383 63.200 -0.536 0.000 0.848 359 S HN 0.540 nan 8.310 nan 0.000 0.499 360 K N 3.048 123.129 120.400 -0.533 0.000 2.459 360 K HA 0.103 4.424 4.320 0.001 0.000 0.193 360 K C 0.505 176.666 176.600 -0.732 0.000 1.030 360 K CA 0.795 56.693 56.287 -0.648 0.000 1.026 360 K CB 0.079 32.098 32.500 -0.802 0.000 0.809 360 K HN 0.672 nan 8.250 nan 0.000 0.504 361 F N -0.155 119.675 119.950 -0.200 0.000 2.602 361 F HA 0.278 4.806 4.527 0.000 0.000 0.284 361 F C 0.663 176.380 175.800 -0.139 0.000 1.111 361 F CA -0.301 57.608 58.000 -0.152 0.000 1.405 361 F CB 0.759 39.669 39.000 -0.150 0.000 1.121 361 F HN -0.211 nan 8.300 nan 0.000 0.603 362 I N 1.163 121.721 120.570 -0.020 0.000 2.439 362 I HA 0.213 4.383 4.170 0.001 0.000 0.285 362 I C -0.759 175.284 176.117 -0.124 0.000 1.021 362 I CA -0.794 60.476 61.300 -0.049 0.000 1.091 362 I CB 1.545 39.530 38.000 -0.025 0.000 1.242 362 I HN -0.055 nan 8.210 nan 0.000 0.439 363 Q N 4.082 123.825 119.800 -0.095 0.000 2.364 363 Q HA 0.335 4.676 4.340 0.001 0.000 0.267 363 Q C 1.154 177.107 176.000 -0.079 0.000 0.999 363 Q CA 0.578 56.313 55.803 -0.113 0.000 0.886 363 Q CB 0.808 29.510 28.738 -0.060 0.000 1.243 363 Q HN 1.021 nan 8.270 nan 0.000 0.415 364 G N 1.337 110.074 108.800 -0.104 0.000 2.217 364 G HA2 -0.263 3.697 3.960 0.001 0.000 0.246 364 G HA3 -0.263 3.697 3.960 0.001 0.000 0.246 364 G C -0.434 174.514 174.900 0.079 0.000 0.990 364 G CA -0.002 45.133 45.100 0.059 0.000 0.627 364 G HN 0.458 nan 8.290 nan 0.000 0.522 365 L N 1.549 122.691 121.223 -0.135 0.000 2.272 365 L HA 0.838 5.179 4.340 0.001 0.000 0.289 365 L C -0.734 176.011 176.870 -0.209 0.000 1.032 365 L CA -1.406 53.420 54.840 -0.022 0.000 0.810 365 L CB 0.382 42.442 42.059 0.001 0.000 1.205 365 L HN 0.026 nan 8.230 nan 0.000 0.422 366 F N 4.922 124.948 119.950 0.125 0.000 2.480 366 F HA 0.553 5.081 4.527 0.002 0.000 0.329 366 F C -0.428 175.615 175.800 0.405 0.000 1.091 366 F CA -0.449 57.645 58.000 0.155 0.000 0.972 366 F CB 1.430 40.493 39.000 0.105 0.000 1.150 366 F HN 0.189 nan 8.300 nan 0.000 0.467 367 F N 2.046 122.109 119.950 0.187 0.000 2.444 367 F HA 0.751 5.278 4.527 0.001 0.000 0.342 367 F C 0.012 175.913 175.800 0.168 0.000 1.121 367 F CA -1.716 56.382 58.000 0.163 0.000 0.997 367 F CB 1.362 40.450 39.000 0.147 0.000 1.130 367 F HN 0.504 nan 8.300 nan 0.000 0.454 368 A N 2.084 125.076 122.820 0.287 0.000 2.455 368 A HA 0.817 5.138 4.320 0.001 0.000 0.300 368 A C 0.069 177.736 177.584 0.139 0.000 1.040 368 A CA 0.020 52.176 52.037 0.199 0.000 0.697 368 A CB 1.299 20.399 19.000 0.166 0.000 1.265 368 A HN 1.552 nan 8.150 nan 0.000 0.407 369 G N 1.534 110.403 108.800 0.114 0.000 2.513 369 G HA2 -0.157 3.804 3.960 0.001 0.000 0.227 369 G HA3 -0.157 3.804 3.960 0.001 0.000 0.227 369 G C 0.929 175.852 174.900 0.039 0.000 1.176 369 G CA 1.012 46.157 45.100 0.075 0.000 0.967 369 G HN 1.868 nan 8.290 nan 0.000 0.587 370 Q N -0.250 119.544 119.800 -0.011 0.000 2.224 370 Q HA 0.052 4.392 4.340 0.001 0.000 0.203 370 Q C 2.463 178.448 176.000 -0.024 0.000 0.970 370 Q CA 1.823 57.578 55.803 -0.081 0.000 0.865 370 Q CB -0.078 28.541 28.738 -0.197 0.000 0.922 370 Q HN 0.681 nan 8.270 nan 0.000 0.445 371 I N 2.527 123.117 120.570 0.033 0.000 2.285 371 I HA -0.291 3.880 4.170 0.001 0.000 0.253 371 I C 0.747 177.035 176.117 0.284 0.000 1.104 371 I CA 1.507 62.890 61.300 0.138 0.000 1.372 371 I CB -0.769 37.254 38.000 0.038 0.000 1.057 371 I HN 0.352 nan 8.210 nan 0.000 0.431 372 N N 0.605 119.439 118.700 0.224 0.000 2.336 372 N HA 0.140 4.881 4.740 0.001 0.000 0.189 372 N C 1.352 176.912 175.510 0.084 0.000 1.113 372 N CA 0.899 54.111 53.050 0.270 0.000 0.858 372 N CB 0.258 38.874 38.487 0.215 0.000 0.970 372 N HN 0.485 nan 8.380 nan 0.000 0.471 373 G N 0.263 108.958 108.800 -0.174 0.000 2.157 373 G HA2 -0.286 3.674 3.960 0.001 0.000 0.248 373 G HA3 -0.286 3.674 3.960 0.001 0.000 0.248 373 G C 0.300 174.903 174.900 -0.496 0.000 0.979 373 G CA 0.669 45.245 45.100 -0.874 0.000 0.650 373 G HN 0.468 nan 8.290 nan 0.000 0.529 374 T N -2.015 112.397 114.554 -0.237 0.000 2.934 374 T HA 0.664 5.015 4.350 0.001 0.000 0.283 374 T C 1.217 175.834 174.700 -0.139 0.000 1.005 374 T CA 0.701 62.700 62.100 -0.167 0.000 1.041 374 T CB 1.836 70.652 68.868 -0.086 0.000 1.042 374 T HN 0.768 nan 8.240 nan 0.000 0.505 375 T N -2.519 111.966 114.554 -0.115 0.000 2.958 375 T HA 0.371 4.721 4.350 0.001 0.000 0.256 375 T C 1.173 175.814 174.700 -0.099 0.000 0.983 375 T CA -0.002 62.044 62.100 -0.090 0.000 0.924 375 T CB -0.250 68.569 68.868 -0.082 0.000 1.136 375 T HN 0.928 nan 8.240 nan 0.000 0.506 376 G N 0.424 109.153 108.800 -0.119 0.000 2.527 376 G HA2 0.403 4.364 3.960 0.001 0.000 0.248 376 G HA3 0.403 4.364 3.960 0.001 0.000 0.248 376 G C 0.297 175.098 174.900 -0.165 0.000 1.231 376 G CA -0.475 44.482 45.100 -0.237 0.000 0.838 376 G HN 0.128 nan 8.290 nan 0.000 0.570 377 Y N 0.720 120.867 120.300 -0.255 0.000 2.165 377 Y HA -0.102 4.449 4.550 0.001 0.000 0.286 377 Y C 2.722 178.443 175.900 -0.298 0.000 1.155 377 Y CA 1.507 59.302 58.100 -0.508 0.000 1.164 377 Y CB -0.765 37.194 38.460 -0.835 0.000 0.978 377 Y HN 0.595 nan 8.280 nan 0.000 0.513 378 E N 0.283 120.435 120.200 -0.079 0.000 2.047 378 E HA -0.154 4.197 4.350 0.001 0.000 0.191 378 E C 2.013 178.616 176.600 0.005 0.000 0.987 378 E CA 1.387 57.760 56.400 -0.045 0.000 0.799 378 E CB -0.301 29.358 29.700 -0.068 0.000 0.752 378 E HN 0.373 nan 8.360 nan 0.000 0.449 379 E N 0.532 120.734 120.200 0.002 0.000 2.118 379 E HA -0.171 4.180 4.350 0.001 0.000 0.195 379 E C 1.861 178.487 176.600 0.043 0.000 0.992 379 E CA 1.392 57.807 56.400 0.024 0.000 0.804 379 E CB -0.310 29.391 29.700 0.002 0.000 0.741 379 E HN 0.323 nan 8.360 nan 0.000 0.458 380 A N 0.664 123.516 122.820 0.053 0.000 1.872 380 A HA 0.061 4.381 4.320 0.001 0.000 0.214 380 A C 2.351 180.003 177.584 0.113 0.000 1.187 380 A CA 1.518 53.611 52.037 0.094 0.000 0.614 380 A CB -0.807 18.278 19.000 0.141 0.000 0.826 380 A HN 0.282 nan 8.150 nan 0.000 0.442 381 A N 0.125 123.016 122.820 0.117 0.000 1.883 381 A HA 0.108 4.429 4.320 0.001 0.000 0.217 381 A C 2.517 180.155 177.584 0.091 0.000 1.186 381 A CA 2.285 54.391 52.037 0.114 0.000 0.624 381 A CB -1.114 17.947 19.000 0.101 0.000 0.822 381 A HN 1.077 nan 8.150 nan 0.000 0.444 382 A N -0.700 122.169 122.820 0.082 0.000 1.883 382 A HA -0.257 4.063 4.320 0.001 0.000 0.217 382 A C 2.126 179.761 177.584 0.085 0.000 1.186 382 A CA 1.823 53.913 52.037 0.088 0.000 0.624 382 A CB -0.647 18.408 19.000 0.091 0.000 0.822 382 A HN 0.672 nan 8.150 nan 0.000 0.444 383 Q N -0.920 118.929 119.800 0.083 0.000 2.167 383 Q HA -0.072 4.268 4.340 0.001 0.000 0.202 383 Q C 2.191 178.248 176.000 0.095 0.000 0.970 383 Q CA 1.064 56.920 55.803 0.089 0.000 0.855 383 Q CB -0.386 28.410 28.738 0.097 0.000 0.911 383 Q HN 0.695 nan 8.270 nan 0.000 0.438 384 G N 1.096 109.951 108.800 0.092 0.000 2.402 384 G HA2 -0.232 3.729 3.960 0.001 0.000 0.216 384 G HA3 -0.232 3.729 3.960 0.001 0.000 0.216 384 G C 1.379 176.316 174.900 0.062 0.000 1.162 384 G CA 0.308 45.457 45.100 0.081 0.000 0.777 384 G HN 0.240 nan 8.290 nan 0.000 0.539 385 L N -0.416 120.849 121.223 0.069 0.000 1.990 385 L HA -0.104 4.236 4.340 0.001 0.000 0.213 385 L C 2.725 179.637 176.870 0.069 0.000 1.072 385 L CA 1.327 56.207 54.840 0.068 0.000 0.755 385 L CB -0.230 41.882 42.059 0.088 0.000 0.889 385 L HN 0.264 nan 8.230 nan 0.000 0.432 386 L N -0.183 121.088 121.223 0.081 0.000 1.989 386 L HA -0.190 4.151 4.340 0.001 0.000 0.211 386 L C 2.615 179.506 176.870 0.036 0.000 1.071 386 L CA 2.187 57.074 54.840 0.078 0.000 0.749 386 L CB -0.913 41.178 42.059 0.053 0.000 0.890 386 L HN 0.292 nan 8.230 nan 0.000 0.431 387 A N -0.832 122.013 122.820 0.043 0.000 1.908 387 A HA -0.112 4.208 4.320 0.001 0.000 0.218 387 A C 2.316 179.778 177.584 -0.203 0.000 1.181 387 A CA 1.735 53.769 52.037 -0.005 0.000 0.627 387 A CB -1.545 17.536 19.000 0.134 0.000 0.818 387 A HN 0.546 nan 8.150 nan 0.000 0.445 388 G N -0.213 108.528 108.800 -0.099 0.000 2.402 388 G HA2 -0.079 3.881 3.960 0.001 0.000 0.216 388 G HA3 -0.079 3.881 3.960 0.001 0.000 0.216 388 G C 1.492 176.309 174.900 -0.138 0.000 1.162 388 G CA 1.072 46.100 45.100 -0.119 0.000 0.777 388 G HN 0.571 nan 8.290 nan 0.000 0.539 389 L N 1.183 122.362 121.223 -0.074 0.000 1.997 389 L HA -0.162 4.179 4.340 0.001 0.000 0.216 389 L C 2.200 179.007 176.870 -0.104 0.000 1.074 389 L CA 2.668 57.482 54.840 -0.043 0.000 0.763 389 L CB -0.894 41.199 42.059 0.057 0.000 0.890 389 L HN 0.316 nan 8.230 nan 0.000 0.434 390 N N -0.831 117.755 118.700 -0.191 0.000 2.300 390 N HA -0.024 4.716 4.740 0.001 0.000 0.179 390 N C 1.827 177.004 175.510 -0.555 0.000 1.016 390 N CA 0.786 53.687 53.050 -0.248 0.000 0.876 390 N CB -0.240 38.194 38.487 -0.089 0.000 0.979 390 N HN 0.545 nan 8.380 nan 0.000 0.432 391 A N 1.300 123.556 122.820 -0.940 0.000 1.902 391 A HA -0.042 4.278 4.320 0.001 0.000 0.217 391 A C 2.324 179.774 177.584 -0.223 0.000 1.181 391 A CA 1.717 53.330 52.037 -0.706 0.000 0.623 391 A CB -0.831 17.847 19.000 -0.537 0.000 0.818 391 A HN 0.331 nan 8.150 nan 0.000 0.443 392 A N -0.337 122.382 122.820 -0.169 0.000 1.898 392 A HA -0.143 4.178 4.320 0.001 0.000 0.216 392 A C 2.244 179.802 177.584 -0.043 0.000 1.181 392 A CA 1.474 53.468 52.037 -0.072 0.000 0.620 392 A CB -0.468 18.496 19.000 -0.060 0.000 0.819 392 A HN 0.541 nan 8.150 nan 0.000 0.442 393 R N -0.999 119.472 120.500 -0.049 0.000 2.083 393 R HA -0.114 4.226 4.340 0.001 0.000 0.237 393 R C 2.213 178.527 176.300 0.024 0.000 1.137 393 R CA 1.593 57.689 56.100 -0.006 0.000 0.951 393 R CB -0.598 29.711 30.300 0.015 0.000 0.851 393 R HN 0.561 nan 8.270 nan 0.000 0.434 394 L N 0.979 122.229 121.223 0.045 0.000 2.083 394 L HA -0.199 4.142 4.340 0.001 0.000 0.209 394 L C 2.469 179.384 176.870 0.074 0.000 1.083 394 L CA 1.834 56.734 54.840 0.101 0.000 0.752 394 L CB -0.304 41.888 42.059 0.220 0.000 0.899 394 L HN 0.247 nan 8.230 nan 0.000 0.433 395 S N -0.454 115.278 115.700 0.053 0.000 2.419 395 S HA -0.088 4.382 4.470 0.001 0.000 0.233 395 S C 1.661 176.281 174.600 0.032 0.000 1.016 395 S CA 0.736 58.965 58.200 0.048 0.000 0.974 395 S CB -0.476 62.750 63.200 0.043 0.000 0.786 395 S HN 0.448 nan 8.310 nan 0.000 0.492 396 A N 0.783 123.616 122.820 0.022 0.000 2.460 396 A HA 0.325 4.645 4.320 0.001 0.000 0.258 396 A C 0.379 177.972 177.584 0.016 0.000 1.300 396 A CA 0.171 52.216 52.037 0.013 0.000 0.913 396 A CB -0.311 18.690 19.000 0.001 0.000 1.031 396 A HN 0.402 nan 8.150 nan 0.000 0.512 397 D N -0.220 120.196 120.400 0.027 0.000 2.837 397 D HA -0.138 4.503 4.640 0.001 0.000 0.230 397 D C -0.137 176.179 176.300 0.027 0.000 1.152 397 D CA 1.294 55.311 54.000 0.028 0.000 0.736 397 D CB -1.021 39.791 40.800 0.020 0.000 1.084 397 D HN 0.622 nan 8.370 nan 0.000 0.429 398 K N 0.523 120.942 120.400 0.030 0.000 2.118 398 K HA 0.315 4.636 4.320 0.001 0.000 0.254 398 K C 0.691 177.322 176.600 0.052 0.000 0.961 398 K CA -0.830 55.475 56.287 0.031 0.000 0.876 398 K CB 1.623 34.134 32.500 0.018 0.000 1.077 398 K HN -0.110 nan 8.250 nan 0.000 0.440 399 E N 0.830 121.062 120.200 0.054 0.000 2.404 399 E HA 0.065 4.415 4.350 0.001 0.000 0.261 399 E C 0.328 176.990 176.600 0.104 0.000 1.074 399 E CA 0.014 56.458 56.400 0.074 0.000 0.917 399 E CB 0.694 30.433 29.700 0.064 0.000 0.965 399 E HN 0.743 nan 8.360 nan 0.000 0.433 400 G N 0.724 109.602 108.800 0.131 0.000 2.539 400 G HA2 0.165 4.126 3.960 0.001 0.000 0.258 400 G HA3 0.165 4.126 3.960 0.001 0.000 0.258 400 G C -1.233 173.800 174.900 0.221 0.000 1.202 400 G CA -0.524 44.678 45.100 0.171 0.000 0.851 400 G HN 0.473 nan 8.290 nan 0.000 0.556 401 W N 1.604 122.921 121.300 0.027 0.000 2.391 401 W HA 0.633 5.294 4.660 0.001 0.000 0.311 401 W C -0.251 176.287 176.519 0.031 0.000 1.087 401 W CA -1.494 55.862 57.345 0.019 0.000 1.209 401 W CB 1.408 30.869 29.460 0.003 0.000 1.273 401 W HN 0.631 nan 8.180 nan 0.000 0.482 402 A N 8.529 131.042 122.820 -0.511 0.000 2.328 402 A HA 0.587 4.908 4.320 0.001 0.000 0.318 402 A C -2.478 174.549 177.584 -0.927 0.000 1.347 402 A CA -1.521 50.170 52.037 -0.576 0.000 0.842 402 A CB 0.083 18.940 19.000 -0.238 0.000 1.148 402 A HN 0.444 nan 8.150 nan 0.000 0.499 403 P HA 0.300 nan 4.420 nan 0.000 0.267 403 P C 0.083 177.178 177.300 -0.341 0.000 1.200 403 P CA 0.108 62.658 63.100 -0.917 0.000 0.772 403 P CB 0.783 32.023 31.700 -0.767 0.000 0.855 404 A N 3.178 125.918 122.820 -0.133 0.000 2.340 404 A HA 0.191 4.512 4.320 0.001 0.000 0.268 404 A C 1.490 179.036 177.584 -0.063 0.000 1.100 404 A CA -0.491 51.505 52.037 -0.067 0.000 0.803 404 A CB 0.163 19.162 19.000 -0.000 0.000 1.043 404 A HN 0.510 nan 8.150 nan 0.000 0.488 405 R N 1.025 121.488 120.500 -0.062 0.000 2.153 405 R HA -0.203 4.137 4.340 0.001 0.000 0.252 405 R C 2.006 178.259 176.300 -0.080 0.000 1.158 405 R CA 2.038 58.099 56.100 -0.064 0.000 0.975 405 R CB -0.357 29.911 30.300 -0.054 0.000 0.871 405 R HN 0.874 nan 8.270 nan 0.000 0.450 406 S N -0.461 115.206 115.700 -0.055 0.000 2.527 406 S HA -0.047 4.423 4.470 0.001 0.000 0.222 406 S C 1.758 176.336 174.600 -0.036 0.000 0.985 406 S CA 0.282 58.450 58.200 -0.052 0.000 0.921 406 S CB 0.297 63.482 63.200 -0.025 0.000 0.772 406 S HN 0.315 nan 8.310 nan 0.000 0.529 407 Q N 0.787 120.581 119.800 -0.010 0.000 2.204 407 Q HA 0.475 4.816 4.340 0.001 0.000 0.198 407 Q C 0.356 176.376 176.000 0.034 0.000 0.946 407 Q CA 0.829 56.658 55.803 0.043 0.000 0.859 407 Q CB 0.480 29.282 28.738 0.107 0.000 0.946 407 Q HN 0.693 nan 8.270 nan 0.000 0.474 408 A N -1.603 121.211 122.820 -0.010 0.000 2.594 408 A HA 0.284 4.605 4.320 0.001 0.000 0.296 408 A C -1.012 176.562 177.584 -0.018 0.000 1.061 408 A CA -0.684 51.367 52.037 0.024 0.000 0.689 408 A CB -0.157 18.915 19.000 0.120 0.000 1.280 408 A HN 0.281 nan 8.150 nan 0.000 0.406 409 Y N 0.820 121.187 120.300 0.111 0.000 2.365 409 Y HA -0.227 4.323 4.550 0.001 0.000 0.287 409 Y C 2.160 178.105 175.900 0.075 0.000 1.162 409 Y CA 1.963 60.125 58.100 0.104 0.000 1.260 409 Y CB 0.072 38.631 38.460 0.165 0.000 0.976 409 Y HN 0.674 nan 8.280 nan 0.000 0.548 410 L N -0.010 121.337 121.223 0.206 0.000 2.093 410 L HA -0.027 4.313 4.340 0.001 0.000 0.208 410 L C 2.283 179.168 176.870 0.025 0.000 1.085 410 L CA 2.066 56.973 54.840 0.112 0.000 0.755 410 L CB -1.350 40.769 42.059 0.099 0.000 0.904 410 L HN 0.154 nan 8.230 nan 0.000 0.435 411 G N -0.726 108.065 108.800 -0.015 0.000 2.433 411 G HA2 -0.204 3.757 3.960 0.001 0.000 0.216 411 G HA3 -0.204 3.757 3.960 0.001 0.000 0.216 411 G C 1.574 176.455 174.900 -0.032 0.000 1.186 411 G CA 1.223 46.281 45.100 -0.070 0.000 0.779 411 G HN 0.320 nan 8.290 nan 0.000 0.543 412 V N 0.963 120.878 119.914 0.002 0.000 2.252 412 V HA -0.211 3.909 4.120 0.001 0.000 0.249 412 V C 2.725 178.846 176.094 0.044 0.000 1.056 412 V CA 1.925 64.241 62.300 0.027 0.000 1.022 412 V CB -0.677 31.191 31.823 0.076 0.000 0.641 412 V HN 0.373 nan 8.190 nan 0.000 0.445 413 L N -0.040 121.228 121.223 0.075 0.000 1.990 413 L HA -0.165 4.175 4.340 0.001 0.000 0.213 413 L C 2.354 179.237 176.870 0.022 0.000 1.072 413 L CA 2.103 56.974 54.840 0.052 0.000 0.755 413 L CB -0.545 41.556 42.059 0.069 0.000 0.889 413 L HN 0.132 nan 8.230 nan 0.000 0.432 414 V N -0.154 119.765 119.914 0.008 0.000 2.358 414 V HA -0.285 3.835 4.120 0.001 0.000 0.246 414 V C 2.319 178.405 176.094 -0.013 0.000 1.047 414 V CA 1.884 64.181 62.300 -0.005 0.000 1.035 414 V CB -0.804 30.998 31.823 -0.035 0.000 0.658 414 V HN 0.605 nan 8.190 nan 0.000 0.452 415 D N 0.267 120.652 120.400 -0.025 0.000 2.104 415 D HA -0.217 4.424 4.640 0.001 0.000 0.194 415 D C 1.772 178.067 176.300 -0.009 0.000 0.994 415 D CA 1.680 55.666 54.000 -0.025 0.000 0.830 415 D CB -0.143 40.639 40.800 -0.031 0.000 0.959 415 D HN 0.392 nan 8.370 nan 0.000 0.452 416 D N -0.345 120.055 120.400 -0.001 0.000 2.104 416 D HA -0.128 4.513 4.640 0.001 0.000 0.194 416 D C 2.296 178.601 176.300 0.010 0.000 0.994 416 D CA 0.573 54.575 54.000 0.003 0.000 0.830 416 D CB -0.383 40.418 40.800 0.002 0.000 0.959 416 D HN 0.308 nan 8.370 nan 0.000 0.452 417 L N 0.084 121.316 121.223 0.015 0.000 2.012 417 L HA -0.221 4.120 4.340 0.001 0.000 0.210 417 L C 2.628 179.523 176.870 0.042 0.000 1.073 417 L CA 1.014 55.874 54.840 0.033 0.000 0.748 417 L CB -0.425 41.660 42.059 0.045 0.000 0.891 417 L HN 0.154 nan 8.230 nan 0.000 0.431 418 C N -1.174 118.141 119.300 0.024 0.000 2.457 418 C HA -0.098 4.363 4.460 0.001 0.000 0.278 418 C C 2.855 177.852 174.990 0.010 0.000 1.309 418 C CA 1.248 60.274 59.018 0.014 0.000 1.735 418 C CB -0.727 27.007 27.740 -0.009 0.000 1.992 418 C HN 0.551 nan 8.230 nan 0.000 0.493 419 T N 0.858 115.416 114.554 0.008 0.000 2.901 419 T HA 0.104 4.455 4.350 0.001 0.000 0.252 419 T C 1.579 176.289 174.700 0.017 0.000 1.035 419 T CA 0.937 63.041 62.100 0.006 0.000 1.142 419 T CB -0.088 68.779 68.868 -0.001 0.000 0.869 419 T HN 0.398 nan 8.240 nan 0.000 0.442 420 L N -0.190 121.045 121.223 0.020 0.000 2.515 420 L HA 0.399 4.740 4.340 0.001 0.000 0.223 420 L C 2.113 179.009 176.870 0.043 0.000 1.079 420 L CA 0.485 55.339 54.840 0.025 0.000 0.857 420 L CB -0.141 41.926 42.059 0.013 0.000 1.050 420 L HN 0.517 nan 8.230 nan 0.000 0.476 421 G N 0.144 108.978 108.800 0.056 0.000 2.195 421 G HA2 -0.251 3.710 3.960 0.001 0.000 0.246 421 G HA3 -0.251 3.710 3.960 0.001 0.000 0.246 421 G C 0.353 175.299 174.900 0.078 0.000 0.984 421 G CA 0.287 45.443 45.100 0.094 0.000 0.633 421 G HN 0.305 nan 8.290 nan 0.000 0.525 422 T N -0.190 114.383 114.554 0.031 0.000 2.956 422 T HA 0.513 4.864 4.350 0.001 0.000 0.312 422 T C -0.094 174.586 174.700 -0.033 0.000 1.151 422 T CA 0.050 62.143 62.100 -0.011 0.000 1.024 422 T CB 1.469 70.330 68.868 -0.012 0.000 1.140 422 T HN 0.537 nan 8.240 nan 0.000 0.473 423 K N 2.316 122.674 120.400 -0.071 0.000 2.397 423 K HA 0.066 4.387 4.320 0.001 0.000 0.265 423 K C 0.213 176.753 176.600 -0.101 0.000 0.982 423 K CA -0.061 56.171 56.287 -0.092 0.000 0.931 423 K CB 0.424 32.833 32.500 -0.152 0.000 0.943 423 K HN 0.710 nan 8.250 nan 0.000 0.501 424 E N 3.577 123.726 120.200 -0.085 0.000 2.316 424 E HA 0.158 4.508 4.350 0.001 0.000 0.275 424 E C -2.215 174.291 176.600 -0.156 0.000 1.029 424 E CA -2.024 54.334 56.400 -0.071 0.000 0.871 424 E CB 0.731 30.429 29.700 -0.003 0.000 1.022 424 E HN 0.318 nan 8.360 nan 0.000 0.418 425 P HA -0.059 nan 4.420 nan 0.000 0.269 425 P C -0.359 176.871 177.300 -0.118 0.000 1.209 425 P CA 0.171 63.163 63.100 -0.179 0.000 0.776 425 P CB 0.252 31.910 31.700 -0.070 0.000 0.876 426 Y N 1.369 121.668 120.300 -0.002 0.000 2.274 426 Y HA -0.202 4.349 4.550 0.001 0.000 0.290 426 Y C 2.848 178.778 175.900 0.050 0.000 1.145 426 Y CA 1.849 59.948 58.100 -0.001 0.000 1.203 426 Y CB -1.623 36.792 38.460 -0.076 0.000 0.984 426 Y HN 0.303 nan 8.280 nan 0.000 0.533 427 R N 0.741 121.340 120.500 0.166 0.000 2.117 427 R HA -0.170 4.170 4.340 0.001 0.000 0.243 427 R C 1.813 178.182 176.300 0.115 0.000 1.143 427 R CA 2.077 58.248 56.100 0.117 0.000 0.968 427 R CB -1.481 28.861 30.300 0.070 0.000 0.863 427 R HN 0.413 nan 8.270 nan 0.000 0.444 428 M N -0.941 118.722 119.600 0.106 0.000 2.562 428 M HA 0.107 4.587 4.480 0.001 0.000 0.257 428 M C 2.106 178.467 176.300 0.102 0.000 1.099 428 M CA 0.672 56.020 55.300 0.079 0.000 1.099 428 M CB -0.503 32.125 32.600 0.047 0.000 1.427 428 M HN 0.392 nan 8.290 nan 0.000 0.489 429 F N 2.153 122.121 119.950 0.030 0.000 2.075 429 F HA -0.201 4.326 4.527 0.001 0.000 0.297 429 F C 2.304 178.113 175.800 0.016 0.000 1.113 429 F CA 1.972 59.982 58.000 0.018 0.000 1.218 429 F CB -0.332 38.667 39.000 -0.001 0.000 0.984 429 F HN 0.066 nan 8.300 nan 0.000 0.472 430 T N -0.152 114.501 114.554 0.165 0.000 2.708 430 T HA -0.195 4.156 4.350 0.001 0.000 0.266 430 T C 2.130 176.811 174.700 -0.031 0.000 1.037 430 T CA 1.740 63.881 62.100 0.069 0.000 1.146 430 T CB -0.582 68.356 68.868 0.118 0.000 0.865 430 T HN 0.306 nan 8.240 nan 0.000 0.435 431 S N 1.755 117.448 115.700 -0.011 0.000 2.359 431 S HA -0.132 4.339 4.470 0.001 0.000 0.223 431 S C 2.059 176.621 174.600 -0.063 0.000 1.039 431 S CA 1.089 59.275 58.200 -0.023 0.000 1.042 431 S CB -0.290 62.908 63.200 -0.004 0.000 0.915 431 S HN 0.499 nan 8.310 nan 0.000 0.439 432 R N 1.135 121.573 120.500 -0.104 0.000 2.240 432 R HA 0.262 4.603 4.340 0.001 0.000 0.203 432 R C 2.478 178.668 176.300 -0.183 0.000 1.011 432 R CA 0.664 56.691 56.100 -0.122 0.000 1.007 432 R CB -0.389 29.851 30.300 -0.100 0.000 0.911 432 R HN 0.420 nan 8.270 nan 0.000 0.468 433 A N 1.802 124.447 122.820 -0.292 0.000 1.978 433 A HA -0.239 4.081 4.320 0.001 0.000 0.220 433 A C 2.060 179.563 177.584 -0.134 0.000 1.170 433 A CA 1.518 53.379 52.037 -0.293 0.000 0.636 433 A CB -0.396 18.375 19.000 -0.383 0.000 0.810 433 A HN 0.445 nan 8.150 nan 0.000 0.448 434 E N -1.066 119.078 120.200 -0.093 0.000 2.070 434 E HA -0.274 4.076 4.350 0.001 0.000 0.197 434 E C 1.832 178.407 176.600 -0.041 0.000 1.004 434 E CA 1.860 58.232 56.400 -0.046 0.000 0.805 434 E CB -0.420 29.263 29.700 -0.028 0.000 0.744 434 E HN 0.811 nan 8.360 nan 0.000 0.451 435 Y N 0.681 120.948 120.300 -0.054 0.000 2.502 435 Y HA 0.266 4.816 4.550 0.001 0.000 0.295 435 Y C 1.816 177.675 175.900 -0.067 0.000 1.193 435 Y CA 0.477 58.548 58.100 -0.049 0.000 1.295 435 Y CB -0.304 38.128 38.460 -0.045 0.000 1.059 435 Y HN 0.049 nan 8.280 nan 0.000 0.514 436 R N -1.616 118.833 120.500 -0.085 0.000 1.888 436 R HA 0.534 4.875 4.340 0.001 0.000 0.123 436 R C 1.431 177.697 176.300 -0.057 0.000 1.949 436 R CA 0.396 56.438 56.100 -0.098 0.000 1.713 436 R CB -0.413 29.796 30.300 -0.150 0.000 1.367 436 R HN 0.693 nan 8.270 nan 0.000 0.489 437 L N -1.530 119.672 121.223 -0.035 0.000 3.570 437 L HA -0.279 4.061 4.340 0.001 0.000 0.382 437 L C 0.845 177.705 176.870 -0.016 0.000 0.698 437 L CA 1.803 56.624 54.840 -0.031 0.000 2.990 437 L CB -1.159 40.864 42.059 -0.060 0.000 0.731 437 L HN 0.428 nan 8.230 nan 0.000 0.725 438 M N -0.186 119.405 119.600 -0.015 0.000 2.557 438 M HA 0.162 4.642 4.480 0.001 0.000 0.259 438 M C 1.388 177.700 176.300 0.019 0.000 1.086 438 M CA 1.112 56.414 55.300 0.002 0.000 1.096 438 M CB -0.821 31.778 32.600 -0.003 0.000 1.424 438 M HN 0.468 nan 8.290 nan 0.000 0.488 439 L N 0.530 121.758 121.223 0.009 0.000 2.978 439 L HA 0.206 4.547 4.340 0.001 0.000 0.239 439 L C 0.403 177.471 176.870 0.330 0.000 1.293 439 L CA -0.384 54.486 54.840 0.050 0.000 1.085 439 L CB -0.362 41.514 42.059 -0.305 0.000 1.432 439 L HN 0.155 nan 8.230 nan 0.000 0.512 440 R N 0.076 120.732 120.500 0.260 0.000 2.738 440 R HA 0.050 4.390 4.340 0.001 0.000 0.268 440 R C 0.773 177.227 176.300 0.257 0.000 1.062 440 R CA -0.382 55.892 56.100 0.290 0.000 1.158 440 R CB 0.822 31.201 30.300 0.131 0.000 1.046 440 R HN 0.207 nan 8.270 nan 0.000 0.493 441 E N 1.290 121.510 120.200 0.034 0.000 2.118 441 E HA -0.241 4.109 4.350 0.001 0.000 0.195 441 E C 1.083 177.783 176.600 0.166 0.000 0.992 441 E CA 2.075 58.448 56.400 -0.045 0.000 0.804 441 E CB -0.075 29.463 29.700 -0.270 0.000 0.741 441 E HN 0.689 nan 8.360 nan 0.000 0.458 442 D N 0.314 120.799 120.400 0.141 0.000 2.347 442 D HA -0.123 4.518 4.640 0.001 0.000 0.213 442 D C 1.032 177.518 176.300 0.310 0.000 0.985 442 D CA 0.522 54.652 54.000 0.217 0.000 0.879 442 D CB -0.163 40.697 40.800 0.100 0.000 0.919 442 D HN 0.097 nan 8.370 nan 0.000 0.526 443 N N 0.048 118.885 118.700 0.228 0.000 2.282 443 N HA 0.246 4.987 4.740 0.001 0.000 0.240 443 N C 1.165 176.738 175.510 0.105 0.000 1.182 443 N CA 0.100 53.233 53.050 0.138 0.000 0.874 443 N CB 0.138 38.681 38.487 0.093 0.000 1.126 443 N HN 0.155 nan 8.380 nan 0.000 0.516 444 A N 1.304 124.253 122.820 0.216 0.000 1.933 444 A HA -0.222 4.098 4.320 0.001 0.000 0.218 444 A C 1.818 179.364 177.584 -0.064 0.000 1.175 444 A CA 1.847 53.993 52.037 0.180 0.000 0.628 444 A CB -0.504 18.742 19.000 0.409 0.000 0.814 444 A HN 0.544 nan 8.150 nan 0.000 0.444 445 D N 0.756 120.870 120.400 -0.477 0.000 2.084 445 D HA -0.186 4.454 4.640 0.001 0.000 0.194 445 D C 1.733 177.895 176.300 -0.229 0.000 0.990 445 D CA 1.452 55.126 54.000 -0.543 0.000 0.826 445 D CB -1.016 39.277 40.800 -0.845 0.000 0.971 445 D HN 0.454 nan 8.370 nan 0.000 0.453 446 L N -0.620 120.618 121.223 0.025 0.000 2.265 446 L HA -0.033 4.308 4.340 0.001 0.000 0.215 446 L C 2.677 179.599 176.870 0.086 0.000 1.117 446 L CA 0.964 55.916 54.840 0.188 0.000 0.782 446 L CB -0.300 41.835 42.059 0.127 0.000 0.914 446 L HN -0.042 nan 8.230 nan 0.000 0.441 447 R N -0.790 119.727 120.500 0.029 0.000 2.210 447 R HA 0.132 4.473 4.340 0.001 0.000 0.203 447 R C 1.548 177.862 176.300 0.023 0.000 1.010 447 R CA 0.655 56.782 56.100 0.046 0.000 1.008 447 R CB 0.310 30.652 30.300 0.071 0.000 0.923 447 R HN 0.295 nan 8.270 nan 0.000 0.469 448 L N -2.259 118.931 121.223 -0.053 0.000 3.154 448 L HA 0.157 4.497 4.340 0.001 0.000 0.280 448 L C 1.340 178.095 176.870 -0.191 0.000 1.134 448 L CA 0.148 54.952 54.840 -0.059 0.000 1.037 448 L CB 0.509 42.595 42.059 0.045 0.000 1.571 448 L HN -0.028 nan 8.230 nan 0.000 0.576 449 T N 0.263 114.592 114.554 -0.376 0.000 2.833 449 T HA -0.157 4.194 4.350 0.001 0.000 0.269 449 T C 1.531 176.038 174.700 -0.322 0.000 1.054 449 T CA 1.614 63.424 62.100 -0.483 0.000 1.135 449 T CB -0.048 68.258 68.868 -0.936 0.000 0.869 449 T HN 0.355 nan 8.240 nan 0.000 0.466 450 E N 0.822 120.881 120.200 -0.235 0.000 2.028 450 E HA -0.040 4.310 4.350 0.001 0.000 0.191 450 E C 2.206 178.715 176.600 -0.152 0.000 0.988 450 E CA 0.993 57.404 56.400 0.017 0.000 0.799 450 E CB -0.305 29.500 29.700 0.175 0.000 0.755 450 E HN 0.463 nan 8.360 nan 0.000 0.447 451 I N 1.307 121.755 120.570 -0.203 0.000 2.151 451 I HA -0.243 3.928 4.170 0.001 0.000 0.243 451 I C 2.646 178.516 176.117 -0.411 0.000 1.080 451 I CA 1.345 62.434 61.300 -0.352 0.000 1.339 451 I CB -1.003 36.698 38.000 -0.499 0.000 1.039 451 I HN 0.198 nan 8.210 nan 0.000 0.409 452 G N 0.941 109.533 108.800 -0.347 0.000 2.505 452 G HA2 -0.361 3.600 3.960 0.001 0.000 0.220 452 G HA3 -0.361 3.600 3.960 0.001 0.000 0.220 452 G C 1.757 176.466 174.900 -0.318 0.000 1.145 452 G CA 1.304 46.230 45.100 -0.290 0.000 0.761 452 G HN 0.235 nan 8.290 nan 0.000 0.571 453 R N 0.663 120.912 120.500 -0.418 0.000 2.075 453 R HA -0.006 4.335 4.340 0.001 0.000 0.232 453 R C 2.480 178.498 176.300 -0.470 0.000 1.126 453 R CA 1.400 57.137 56.100 -0.606 0.000 0.963 453 R CB -0.405 29.124 30.300 -1.285 0.000 0.858 453 R HN 0.272 nan 8.270 nan 0.000 0.435 454 E N 0.406 120.374 120.200 -0.387 0.000 2.204 454 E HA -0.154 4.196 4.350 0.001 0.000 0.195 454 E C 1.856 178.305 176.600 -0.252 0.000 0.990 454 E CA 1.014 57.243 56.400 -0.284 0.000 0.821 454 E CB -0.139 29.419 29.700 -0.236 0.000 0.750 454 E HN 0.420 nan 8.360 nan 0.000 0.477 455 L N -0.836 120.220 121.223 -0.279 0.000 2.446 455 L HA 0.133 4.473 4.340 0.001 0.000 0.219 455 L C 1.414 178.183 176.870 -0.168 0.000 1.116 455 L CA 0.549 55.253 54.840 -0.226 0.000 0.844 455 L CB -0.002 41.894 42.059 -0.271 0.000 0.970 455 L HN 0.256 nan 8.230 nan 0.000 0.457 456 G N -0.249 108.439 108.800 -0.188 0.000 2.144 456 G HA2 -0.244 3.716 3.960 0.001 0.000 0.218 456 G HA3 -0.244 3.716 3.960 0.001 0.000 0.218 456 G C 0.645 175.471 174.900 -0.124 0.000 0.988 456 G CA 0.079 45.090 45.100 -0.148 0.000 0.659 456 G HN 0.258 nan 8.290 nan 0.000 0.522 457 L N -0.243 120.897 121.223 -0.138 0.000 2.477 457 L HA 0.322 4.663 4.340 0.001 0.000 0.220 457 L C 0.819 177.639 176.870 -0.084 0.000 1.106 457 L CA 0.325 55.109 54.840 -0.093 0.000 0.851 457 L CB 0.519 42.529 42.059 -0.082 0.000 0.994 457 L HN 0.144 nan 8.230 nan 0.000 0.462 458 V N 1.039 120.875 119.914 -0.130 0.000 2.417 458 V HA 0.189 4.310 4.120 0.001 0.000 0.291 458 V C -0.376 175.676 176.094 -0.070 0.000 1.024 458 V CA -0.980 61.266 62.300 -0.090 0.000 0.861 458 V CB 1.777 33.525 31.823 -0.125 0.000 0.985 458 V HN 0.180 nan 8.190 nan 0.000 0.436 459 D N 3.428 123.833 120.400 0.007 0.000 2.478 459 D HA 0.281 4.922 4.640 0.001 0.000 0.269 459 D C 0.890 177.246 176.300 0.093 0.000 1.232 459 D CA 0.273 54.287 54.000 0.024 0.000 1.059 459 D CB 0.967 41.786 40.800 0.030 0.000 1.104 459 D HN 0.432 nan 8.370 nan 0.000 0.566 460 D N -1.011 119.448 120.400 0.099 0.000 2.194 460 D HA -0.119 4.522 4.640 0.001 0.000 0.204 460 D C 1.641 178.048 176.300 0.177 0.000 0.964 460 D CA 1.015 55.112 54.000 0.162 0.000 0.846 460 D CB -0.605 40.262 40.800 0.110 0.000 0.962 460 D HN 0.589 nan 8.370 nan 0.000 0.490 461 E N -0.420 119.854 120.200 0.124 0.000 2.085 461 E HA -0.221 4.129 4.350 0.001 0.000 0.194 461 E C 2.396 179.079 176.600 0.138 0.000 0.994 461 E CA 1.098 57.563 56.400 0.108 0.000 0.801 461 E CB -0.051 29.698 29.700 0.082 0.000 0.743 461 E HN 0.483 nan 8.360 nan 0.000 0.453 462 R N -0.027 120.575 120.500 0.170 0.000 2.062 462 R HA -0.122 4.218 4.340 0.001 0.000 0.229 462 R C 2.330 178.814 176.300 0.308 0.000 1.128 462 R CA 1.165 57.386 56.100 0.202 0.000 0.960 462 R CB -0.475 29.928 30.300 0.172 0.000 0.855 462 R HN 0.355 nan 8.270 nan 0.000 0.432 463 W N 1.076 122.421 121.300 0.074 0.000 2.321 463 W HA -0.281 4.379 4.660 0.001 0.000 0.306 463 W C 1.823 178.415 176.519 0.122 0.000 1.217 463 W CA 1.482 58.890 57.345 0.105 0.000 1.257 463 W CB -0.132 29.361 29.460 0.054 0.000 1.145 463 W HN 0.321 nan 8.180 nan 0.000 0.509 464 A N 0.618 123.511 122.820 0.121 0.000 1.873 464 A HA -0.254 4.066 4.320 0.001 0.000 0.215 464 A C 1.812 179.362 177.584 -0.056 0.000 1.186 464 A CA 2.115 54.136 52.037 -0.027 0.000 0.616 464 A CB -0.883 18.135 19.000 0.031 0.000 0.823 464 A HN 0.308 nan 8.150 nan 0.000 0.442 465 R N -1.029 119.487 120.500 0.026 0.000 2.090 465 R HA -0.052 4.289 4.340 0.001 0.000 0.228 465 R C 1.744 178.040 176.300 -0.006 0.000 1.110 465 R CA 1.712 57.822 56.100 0.018 0.000 0.973 465 R CB -1.012 29.331 30.300 0.071 0.000 0.869 465 R HN 0.432 nan 8.270 nan 0.000 0.440 466 F N 1.335 121.224 119.950 -0.102 0.000 2.095 466 F HA -0.158 4.369 4.527 0.001 0.000 0.298 466 F C 1.610 177.262 175.800 -0.247 0.000 1.104 466 F CA 1.916 59.826 58.000 -0.151 0.000 1.232 466 F CB -0.461 38.474 39.000 -0.109 0.000 0.987 466 F HN 0.114 nan 8.300 nan 0.000 0.475 467 N N 0.517 118.891 118.700 -0.544 0.000 2.270 467 N HA -0.198 4.543 4.740 0.001 0.000 0.181 467 N C 1.945 177.202 175.510 -0.422 0.000 1.016 467 N CA 1.361 54.036 53.050 -0.626 0.000 0.870 467 N CB -0.495 37.608 38.487 -0.640 0.000 0.979 467 N HN 0.635 nan 8.380 nan 0.000 0.431 468 E N 1.631 121.655 120.200 -0.292 0.000 2.153 468 E HA -0.181 4.170 4.350 0.001 0.000 0.194 468 E C 1.892 178.362 176.600 -0.217 0.000 0.988 468 E CA 1.007 57.284 56.400 -0.206 0.000 0.811 468 E CB 0.033 29.655 29.700 -0.130 0.000 0.746 468 E HN 0.198 nan 8.360 nan 0.000 0.466 469 K N 0.279 120.522 120.400 -0.263 0.000 2.062 469 K HA -0.136 4.184 4.320 0.001 0.000 0.205 469 K C 2.327 178.737 176.600 -0.318 0.000 1.051 469 K CA 0.948 57.088 56.287 -0.246 0.000 0.941 469 K CB -0.124 32.249 32.500 -0.211 0.000 0.719 469 K HN 0.191 nan 8.250 nan 0.000 0.440 470 L N 1.817 122.730 121.223 -0.517 0.000 2.083 470 L HA -0.162 4.179 4.340 0.001 0.000 0.209 470 L C 1.976 178.673 176.870 -0.289 0.000 1.083 470 L CA 1.810 56.357 54.840 -0.489 0.000 0.752 470 L CB -0.284 41.328 42.059 -0.745 0.000 0.899 470 L HN 0.185 nan 8.230 nan 0.000 0.433 471 E N -0.350 119.693 120.200 -0.261 0.000 2.072 471 E HA -0.141 4.210 4.350 0.001 0.000 0.190 471 E C 2.027 178.549 176.600 -0.129 0.000 0.982 471 E CA 0.853 57.150 56.400 -0.172 0.000 0.803 471 E CB -0.560 29.045 29.700 -0.159 0.000 0.755 471 E HN 0.526 nan 8.360 nan 0.000 0.453 472 N N 1.023 119.644 118.700 -0.133 0.000 2.094 472 N HA -0.133 4.607 4.740 0.001 0.000 0.191 472 N C 2.052 177.507 175.510 -0.091 0.000 1.023 472 N CA 0.893 53.884 53.050 -0.098 0.000 0.857 472 N CB -0.330 38.099 38.487 -0.097 0.000 1.013 472 N HN 0.232 nan 8.380 nan 0.000 0.426 473 I N 0.601 121.102 120.570 -0.115 0.000 2.202 473 I HA -0.221 3.950 4.170 0.001 0.000 0.242 473 I C 2.386 178.458 176.117 -0.075 0.000 1.091 473 I CA 1.040 62.278 61.300 -0.102 0.000 1.368 473 I CB -0.213 37.718 38.000 -0.114 0.000 1.058 473 I HN 0.073 nan 8.210 nan 0.000 0.410 474 E N 1.555 121.706 120.200 -0.081 0.000 2.031 474 E HA -0.264 4.087 4.350 0.001 0.000 0.193 474 E C 2.255 178.832 176.600 -0.039 0.000 0.994 474 E CA 1.552 57.917 56.400 -0.059 0.000 0.800 474 E CB -0.202 29.456 29.700 -0.069 0.000 0.752 474 E HN 0.213 nan 8.360 nan 0.000 0.447 475 R N -0.045 120.430 120.500 -0.043 0.000 2.091 475 R HA -0.186 4.155 4.340 0.001 0.000 0.238 475 R C 2.194 178.491 176.300 -0.005 0.000 1.136 475 R CA 1.873 57.959 56.100 -0.023 0.000 0.959 475 R CB -0.239 30.043 30.300 -0.029 0.000 0.856 475 R HN 0.146 nan 8.270 nan 0.000 0.437 476 E N 0.116 120.313 120.200 -0.005 0.000 2.107 476 E HA -0.096 4.254 4.350 0.001 0.000 0.191 476 E C 1.910 178.525 176.600 0.026 0.000 0.982 476 E CA 1.107 57.524 56.400 0.027 0.000 0.809 476 E CB 0.101 29.824 29.700 0.040 0.000 0.756 476 E HN 0.249 nan 8.360 nan 0.000 0.459 477 R N 0.016 120.515 120.500 -0.002 0.000 2.080 477 R HA -0.142 4.199 4.340 0.001 0.000 0.236 477 R C 2.294 178.590 176.300 -0.006 0.000 1.137 477 R CA 1.508 57.603 56.100 -0.009 0.000 0.943 477 R CB -0.433 29.855 30.300 -0.020 0.000 0.846 477 R HN 0.284 nan 8.270 nan 0.000 0.431 478 Q N 0.429 120.229 119.800 -0.001 0.000 2.112 478 Q HA -0.186 4.154 4.340 0.001 0.000 0.206 478 Q C 2.053 178.065 176.000 0.020 0.000 0.987 478 Q CA 1.394 57.203 55.803 0.010 0.000 0.858 478 Q CB -0.439 28.305 28.738 0.011 0.000 0.905 478 Q HN 0.321 nan 8.270 nan 0.000 0.420 479 R N 0.203 120.718 120.500 0.025 0.000 2.096 479 R HA -0.057 4.283 4.340 0.001 0.000 0.235 479 R C 2.365 178.686 176.300 0.035 0.000 1.127 479 R CA 0.787 56.911 56.100 0.040 0.000 0.968 479 R CB -0.098 30.232 30.300 0.049 0.000 0.861 479 R HN 0.232 nan 8.270 nan 0.000 0.440 480 L N 0.227 121.455 121.223 0.008 0.000 2.109 480 L HA -0.121 4.219 4.340 0.001 0.000 0.207 480 L C 2.270 179.058 176.870 -0.137 0.000 1.086 480 L CA 1.292 56.104 54.840 -0.048 0.000 0.760 480 L CB -0.291 41.729 42.059 -0.065 0.000 0.910 480 L HN 0.136 nan 8.230 nan 0.000 0.437 481 K N -0.092 120.248 120.400 -0.100 0.000 2.209 481 K HA -0.097 4.224 4.320 0.001 0.000 0.204 481 K C 1.616 178.159 176.600 -0.096 0.000 1.048 481 K CA 1.586 57.803 56.287 -0.116 0.000 0.940 481 K CB 0.008 32.497 32.500 -0.020 0.000 0.729 481 K HN 0.288 nan 8.250 nan 0.000 0.451 482 S N -0.444 115.253 115.700 -0.004 0.000 2.578 482 S HA 0.088 4.559 4.470 0.001 0.000 0.231 482 S C 0.076 174.788 174.600 0.187 0.000 0.994 482 S CA -0.484 57.827 58.200 0.185 0.000 0.956 482 S CB 0.927 64.229 63.200 0.170 0.000 0.870 482 S HN -0.025 nan 8.310 nan 0.000 0.494 483 T N 2.736 117.287 114.554 -0.005 0.000 2.758 483 T HA 0.485 4.836 4.350 0.001 0.000 0.285 483 T C -1.158 173.531 174.700 -0.019 0.000 0.981 483 T CA -0.354 61.801 62.100 0.092 0.000 0.965 483 T CB 0.542 69.495 68.868 0.142 0.000 0.927 483 T HN 0.330 nan 8.240 nan 0.000 0.448 484 W N 2.117 123.475 121.300 0.097 0.000 2.736 484 W HA 0.612 5.272 4.660 0.001 0.000 0.335 484 W C -0.639 175.890 176.519 0.016 0.000 1.059 484 W CA -0.994 56.418 57.345 0.111 0.000 1.226 484 W CB 1.258 30.753 29.460 0.058 0.000 1.416 484 W HN 0.433 nan 8.180 nan 0.000 0.505 485 V N 0.609 120.703 119.914 0.301 0.000 2.435 485 V HA 0.689 4.809 4.120 0.001 0.000 0.290 485 V C 0.213 176.436 176.094 0.215 0.000 1.030 485 V CA -0.957 61.449 62.300 0.176 0.000 0.881 485 V CB 0.583 32.496 31.823 0.150 0.000 0.983 485 V HN 0.580 nan 8.190 nan 0.000 0.445 486 T N 1.455 116.090 114.554 0.135 0.000 2.909 486 T HA 0.470 4.820 4.350 0.001 0.000 0.286 486 T C -1.399 173.347 174.700 0.076 0.000 1.002 486 T CA -1.905 60.256 62.100 0.101 0.000 1.074 486 T CB 1.707 70.606 68.868 0.052 0.000 0.984 486 T HN 0.576 nan 8.240 nan 0.000 0.495 487 P HA 0.086 nan 4.420 nan 0.000 0.230 487 P C 0.785 178.108 177.300 0.038 0.000 1.158 487 P CA 0.329 63.463 63.100 0.056 0.000 0.769 487 P CB 0.195 31.925 31.700 0.050 0.000 0.807 488 S N -1.219 114.499 115.700 0.029 0.000 2.629 488 S HA 0.393 4.864 4.470 0.001 0.000 0.236 488 S C 0.831 175.440 174.600 0.014 0.000 1.010 488 S CA -0.406 57.806 58.200 0.019 0.000 0.981 488 S CB 0.010 63.217 63.200 0.013 0.000 0.919 488 S HN 0.206 nan 8.310 nan 0.000 0.514 489 A N 1.590 124.421 122.820 0.018 0.000 2.586 489 A HA 0.081 4.402 4.320 0.001 0.000 0.231 489 A C 1.438 179.025 177.584 0.004 0.000 1.055 489 A CA 0.169 52.211 52.037 0.008 0.000 0.756 489 A CB 0.048 19.053 19.000 0.008 0.000 0.988 489 A HN 0.330 nan 8.150 nan 0.000 0.509 490 E N 1.639 121.837 120.200 -0.005 0.000 2.171 490 E HA -0.191 4.159 4.350 0.001 0.000 0.197 490 E C 1.709 178.306 176.600 -0.005 0.000 0.997 490 E CA 2.330 58.726 56.400 -0.006 0.000 0.810 490 E CB -0.261 29.433 29.700 -0.011 0.000 0.738 490 E HN 0.751 nan 8.360 nan 0.000 0.467 491 A N -0.324 122.488 122.820 -0.014 0.000 2.208 491 A HA 0.367 4.687 4.320 0.001 0.000 0.209 491 A C 2.171 179.763 177.584 0.014 0.000 1.161 491 A CA 0.958 52.986 52.037 -0.014 0.000 0.782 491 A CB -0.391 18.575 19.000 -0.057 0.000 0.816 491 A HN 0.330 nan 8.150 nan 0.000 0.477 492 A N 0.196 123.029 122.820 0.023 0.000 1.933 492 A HA 0.170 4.491 4.320 0.001 0.000 0.218 492 A C 2.410 180.023 177.584 0.049 0.000 1.175 492 A CA 1.756 53.820 52.037 0.044 0.000 0.628 492 A CB -0.764 18.260 19.000 0.041 0.000 0.814 492 A HN 0.937 nan 8.150 nan 0.000 0.444 493 A N -0.111 122.730 122.820 0.035 0.000 1.898 493 A HA -0.168 4.153 4.320 0.001 0.000 0.216 493 A C 2.037 179.648 177.584 0.045 0.000 1.181 493 A CA 1.758 53.814 52.037 0.031 0.000 0.620 493 A CB -0.529 18.482 19.000 0.018 0.000 0.819 493 A HN 0.708 nan 8.150 nan 0.000 0.442 494 E N 0.080 120.316 120.200 0.059 0.000 2.038 494 E HA -0.161 4.189 4.350 0.001 0.000 0.195 494 E C 1.873 178.587 176.600 0.189 0.000 1.000 494 E CA 1.813 58.276 56.400 0.105 0.000 0.803 494 E CB -0.239 29.511 29.700 0.083 0.000 0.750 494 E HN 0.292 nan 8.360 nan 0.000 0.448 495 V N 2.205 122.209 119.914 0.150 0.000 2.255 495 V HA -0.302 3.818 4.120 0.001 0.000 0.247 495 V C 2.225 178.415 176.094 0.161 0.000 1.051 495 V CA 2.114 64.523 62.300 0.180 0.000 1.018 495 V CB -0.830 31.093 31.823 0.166 0.000 0.641 495 V HN 0.348 nan 8.190 nan 0.000 0.445 496 N N 0.608 119.366 118.700 0.097 0.000 2.149 496 N HA -0.146 4.595 4.740 0.001 0.000 0.188 496 N C 1.900 177.423 175.510 0.022 0.000 1.019 496 N CA 1.642 54.726 53.050 0.057 0.000 0.857 496 N CB -0.568 37.941 38.487 0.036 0.000 0.997 496 N HN 0.513 nan 8.380 nan 0.000 0.426 497 A N 0.915 123.729 122.820 -0.011 0.000 2.032 497 A HA -0.177 4.144 4.320 0.001 0.000 0.221 497 A C 1.363 178.772 177.584 -0.291 0.000 1.165 497 A CA 1.319 53.265 52.037 -0.153 0.000 0.645 497 A CB -0.609 18.263 19.000 -0.214 0.000 0.807 497 A HN 0.436 nan 8.150 nan 0.000 0.453 498 H N -2.125 116.950 119.070 0.008 0.000 2.520 498 H HA 0.316 4.872 4.556 0.001 0.000 0.284 498 H C -0.607 174.719 175.328 -0.003 0.000 1.037 498 H CA -0.264 55.785 56.048 0.002 0.000 1.168 498 H CB 0.170 29.933 29.762 0.001 0.000 1.497 498 H HN 0.235 nan 8.280 nan 0.000 0.547 499 L N -0.202 121.060 121.223 0.065 0.000 2.332 499 L HA 0.167 4.508 4.340 0.001 0.000 0.269 499 L C 1.814 178.692 176.870 0.014 0.000 1.016 499 L CA 0.027 54.890 54.840 0.040 0.000 0.809 499 L CB 1.628 43.711 42.059 0.039 0.000 1.280 499 L HN -0.128 nan 8.230 nan 0.000 0.447 500 T N 0.841 115.401 114.554 0.011 0.000 2.904 500 T HA 0.253 4.604 4.350 0.001 0.000 0.267 500 T C 0.150 174.852 174.700 0.003 0.000 1.059 500 T CA 1.144 63.246 62.100 0.004 0.000 1.137 500 T CB 0.040 68.909 68.868 0.002 0.000 0.879 500 T HN 0.621 nan 8.240 nan 0.000 0.467 501 A N 1.683 124.508 122.820 0.008 0.000 2.513 501 A HA 0.619 4.940 4.320 0.001 0.000 0.296 501 A C -2.915 174.679 177.584 0.016 0.000 1.052 501 A CA -1.476 50.566 52.037 0.009 0.000 0.714 501 A CB 1.087 20.092 19.000 0.008 0.000 1.279 501 A HN 0.037 nan 8.150 nan 0.000 0.397 502 P HA 0.149 nan 4.420 nan 0.000 0.265 502 P C -0.329 176.988 177.300 0.030 0.000 1.187 502 P CA 0.252 63.366 63.100 0.024 0.000 0.766 502 P CB 0.375 32.086 31.700 0.019 0.000 0.820 503 L N 2.188 123.435 121.223 0.041 0.000 2.455 503 L HA 0.005 4.345 4.340 0.001 0.000 0.272 503 L C 1.653 178.549 176.870 0.043 0.000 1.174 503 L CA 0.296 55.165 54.840 0.048 0.000 0.869 503 L CB 0.177 42.277 42.059 0.068 0.000 1.130 503 L HN 0.511 nan 8.230 nan 0.000 0.474 504 S N 2.200 117.925 115.700 0.040 0.000 2.539 504 S HA 0.272 4.743 4.470 0.001 0.000 0.221 504 S C 0.555 175.180 174.600 0.041 0.000 0.987 504 S CA -0.560 57.660 58.200 0.035 0.000 0.929 504 S CB 0.435 63.650 63.200 0.026 0.000 0.832 504 S HN 0.668 nan 8.310 nan 0.000 0.492 505 R N 0.655 121.189 120.500 0.057 0.000 2.836 505 R HA 0.431 4.772 4.340 0.001 0.000 0.269 505 R C -1.155 175.211 176.300 0.111 0.000 1.010 505 R CA -0.845 55.298 56.100 0.072 0.000 0.930 505 R CB 1.059 31.402 30.300 0.071 0.000 1.218 505 R HN 0.211 nan 8.270 nan 0.000 0.473 506 E N 0.736 121.018 120.200 0.136 0.000 2.568 506 E HA 0.073 4.423 4.350 0.001 0.000 0.262 506 E C -0.861 175.946 176.600 0.344 0.000 0.961 506 E CA 0.550 57.095 56.400 0.243 0.000 0.945 506 E CB 0.597 30.427 29.700 0.216 0.000 0.924 506 E HN 0.500 nan 8.360 nan 0.000 0.467 507 A N 2.897 125.934 122.820 0.362 0.000 2.422 507 A HA 0.447 4.767 4.320 0.001 0.000 0.302 507 A C -0.286 177.293 177.584 -0.008 0.000 1.041 507 A CA -0.753 51.398 52.037 0.191 0.000 0.708 507 A CB 1.465 20.518 19.000 0.088 0.000 1.257 507 A HN 0.589 nan 8.150 nan 0.000 0.414 508 S N 1.126 116.451 115.700 -0.626 0.000 2.624 508 S HA 0.490 4.961 4.470 0.001 0.000 0.263 508 S C 1.381 175.702 174.600 -0.466 0.000 1.287 508 S CA 0.076 57.724 58.200 -0.921 0.000 0.990 508 S CB 0.958 63.318 63.200 -1.400 0.000 0.950 508 S HN 1.653 nan 8.310 nan 0.000 0.561 509 G N 0.026 108.559 108.800 -0.445 0.000 2.469 509 G HA2 -0.260 3.701 3.960 0.001 0.000 0.219 509 G HA3 -0.260 3.701 3.960 0.001 0.000 0.219 509 G C 1.203 175.782 174.900 -0.535 0.000 1.150 509 G CA 1.034 45.606 45.100 -0.881 0.000 0.763 509 G HN 0.913 nan 8.290 nan 0.000 0.561 510 E N 0.342 120.324 120.200 -0.363 0.000 2.106 510 E HA -0.136 4.215 4.350 0.001 0.000 0.192 510 E C 1.812 178.277 176.600 -0.225 0.000 0.984 510 E CA 1.079 57.331 56.400 -0.247 0.000 0.806 510 E CB -0.079 29.510 29.700 -0.185 0.000 0.750 510 E HN 0.318 nan 8.360 nan 0.000 0.458 511 D N 0.835 121.083 120.400 -0.253 0.000 2.104 511 D HA -0.186 4.455 4.640 0.001 0.000 0.194 511 D C 2.154 178.357 176.300 -0.161 0.000 0.994 511 D CA 1.109 55.006 54.000 -0.172 0.000 0.830 511 D CB -0.232 40.483 40.800 -0.141 0.000 0.959 511 D HN 0.311 nan 8.370 nan 0.000 0.452 512 L N 0.132 121.222 121.223 -0.221 0.000 2.141 512 L HA -0.120 4.220 4.340 0.001 0.000 0.209 512 L C 2.447 179.201 176.870 -0.193 0.000 1.094 512 L CA 0.301 55.020 54.840 -0.202 0.000 0.763 512 L CB -0.305 41.589 42.059 -0.275 0.000 0.908 512 L HN 0.047 nan 8.230 nan 0.000 0.437 513 L N 0.040 121.127 121.223 -0.226 0.000 2.141 513 L HA -0.106 4.234 4.340 0.001 0.000 0.209 513 L C 2.618 179.416 176.870 -0.119 0.000 1.094 513 L CA 1.507 56.250 54.840 -0.162 0.000 0.763 513 L CB -0.502 41.471 42.059 -0.142 0.000 0.908 513 L HN 0.064 nan 8.230 nan 0.000 0.437 514 R N -0.585 119.841 120.500 -0.123 0.000 2.193 514 R HA -0.042 4.299 4.340 0.001 0.000 0.229 514 R C 0.464 176.702 176.300 -0.104 0.000 1.110 514 R CA 0.210 56.242 56.100 -0.114 0.000 0.988 514 R CB -0.184 30.056 30.300 -0.100 0.000 0.871 514 R HN 0.332 nan 8.270 nan 0.000 0.458 515 R N 1.288 121.734 120.500 -0.091 0.000 2.522 515 R HA -0.007 4.334 4.340 0.001 0.000 0.284 515 R C -1.517 174.743 176.300 -0.067 0.000 1.032 515 R CA -1.088 54.970 56.100 -0.069 0.000 1.049 515 R CB 0.341 30.608 30.300 -0.055 0.000 0.956 515 R HN 0.056 nan 8.270 nan 0.000 0.422 516 P HA -0.241 nan 4.420 nan 0.000 0.216 516 P C 0.733 178.016 177.300 -0.029 0.000 1.150 516 P CA 1.439 64.509 63.100 -0.050 0.000 0.837 516 P CB 0.124 31.801 31.700 -0.038 0.000 0.786 517 E N -0.655 119.534 120.200 -0.019 0.000 2.511 517 E HA -0.052 4.299 4.350 0.001 0.000 0.196 517 E C 0.559 177.157 176.600 -0.003 0.000 1.066 517 E CA 0.102 56.499 56.400 -0.004 0.000 0.871 517 E CB -0.386 29.317 29.700 0.005 0.000 0.863 517 E HN 0.197 nan 8.360 nan 0.000 0.520 518 M N 2.166 121.751 119.600 -0.024 0.000 2.363 518 M HA 0.245 4.726 4.480 0.001 0.000 0.343 518 M C -0.535 175.745 176.300 -0.033 0.000 1.165 518 M CA -0.328 54.949 55.300 -0.038 0.000 1.046 518 M CB 1.837 34.392 32.600 -0.076 0.000 1.648 518 M HN 0.025 nan 8.290 nan 0.000 0.452 519 T N 1.356 115.892 114.554 -0.030 0.000 2.932 519 T HA 0.330 4.680 4.350 0.001 0.000 0.289 519 T C 0.603 175.296 174.700 -0.012 0.000 1.039 519 T CA -0.610 61.493 62.100 0.004 0.000 1.024 519 T CB 0.690 69.574 68.868 0.027 0.000 1.090 519 T HN 0.692 nan 8.240 nan 0.000 0.496 520 Y N 1.229 121.491 120.300 -0.063 0.000 2.102 520 Y HA -0.218 4.332 4.550 0.001 0.000 0.280 520 Y C 2.515 178.380 175.900 -0.059 0.000 1.178 520 Y CA 2.489 60.548 58.100 -0.069 0.000 1.146 520 Y CB -0.059 38.373 38.460 -0.048 0.000 0.968 520 Y HN 0.950 nan 8.280 nan 0.000 0.504 521 E N -0.317 119.919 120.200 0.060 0.000 2.110 521 E HA -0.219 4.132 4.350 0.001 0.000 0.193 521 E C 2.428 178.959 176.600 -0.115 0.000 0.988 521 E CA 1.646 58.042 56.400 -0.006 0.000 0.804 521 E CB -0.111 29.625 29.700 0.059 0.000 0.745 521 E HN 0.239 nan 8.360 nan 0.000 0.458 522 K N 0.206 120.537 120.400 -0.116 0.000 2.031 522 K HA -0.070 4.251 4.320 0.001 0.000 0.205 522 K C 2.198 178.656 176.600 -0.238 0.000 1.049 522 K CA 0.944 57.130 56.287 -0.169 0.000 0.939 522 K CB -0.859 31.561 32.500 -0.134 0.000 0.717 522 K HN 0.300 nan 8.250 nan 0.000 0.438 523 L N 1.482 122.551 121.223 -0.257 0.000 1.978 523 L HA -0.203 4.138 4.340 0.001 0.000 0.218 523 L C 2.423 179.162 176.870 -0.218 0.000 1.075 523 L CA 2.892 57.560 54.840 -0.287 0.000 0.767 523 L CB -1.090 40.719 42.059 -0.417 0.000 0.890 523 L HN 0.615 nan 8.230 nan 0.000 0.434 524 T N -5.701 108.636 114.554 -0.361 0.000 3.215 524 T HA -0.063 4.288 4.350 0.001 0.000 0.254 524 T C 1.485 176.101 174.700 -0.140 0.000 1.149 524 T CA 0.993 62.933 62.100 -0.267 0.000 1.042 524 T CB -0.492 68.085 68.868 -0.487 0.000 0.966 524 T HN 0.303 nan 8.240 nan 0.000 0.534 525 T N 1.319 115.790 114.554 -0.137 0.000 3.065 525 T HA 0.377 4.728 4.350 0.001 0.000 0.252 525 T C 0.462 175.115 174.700 -0.078 0.000 1.099 525 T CA -0.134 61.906 62.100 -0.101 0.000 1.063 525 T CB -0.258 68.535 68.868 -0.124 0.000 0.948 525 T HN 0.416 nan 8.240 nan 0.000 0.506 526 L N 1.543 122.734 121.223 -0.053 0.000 2.326 526 L HA 0.289 4.630 4.340 0.001 0.000 0.278 526 L C 1.918 178.774 176.870 -0.023 0.000 1.092 526 L CA -0.548 54.285 54.840 -0.011 0.000 0.810 526 L CB 1.032 43.133 42.059 0.069 0.000 1.153 526 L HN 0.037 nan 8.230 nan 0.000 0.439 527 T N 1.790 116.312 114.554 -0.054 0.000 2.620 527 T HA -0.147 4.203 4.350 0.001 0.000 0.267 527 T C -0.636 173.954 174.700 -0.183 0.000 1.044 527 T CA 1.798 63.843 62.100 -0.091 0.000 1.161 527 T CB -0.950 67.874 68.868 -0.073 0.000 0.862 527 T HN 0.589 nan 8.240 nan 0.000 0.438 528 P HA 0.074 nan 4.420 nan 0.000 0.226 528 P C 0.574 177.445 177.300 -0.715 0.000 1.153 528 P CA 0.853 63.568 63.100 -0.641 0.000 0.777 528 P CB -0.111 30.945 31.700 -1.075 0.000 0.794 529 F N -1.510 118.395 119.950 -0.075 0.000 2.746 529 F HA 0.416 4.943 4.527 0.001 0.000 0.313 529 F C 1.399 177.133 175.800 -0.111 0.000 1.095 529 F CA -0.794 57.143 58.000 -0.104 0.000 1.224 529 F CB -0.850 38.062 39.000 -0.147 0.000 1.060 529 F HN -0.245 nan 8.300 nan 0.000 0.584 530 A N 2.530 125.360 122.820 0.017 0.000 2.448 530 A HA 0.420 4.741 4.320 0.001 0.000 0.239 530 A C -1.971 175.610 177.584 -0.005 0.000 1.080 530 A CA -0.702 51.328 52.037 -0.012 0.000 0.779 530 A CB -0.672 18.312 19.000 -0.028 0.000 1.026 530 A HN 0.036 nan 8.150 nan 0.000 0.499 531 P HA 0.514 nan 4.420 nan 0.000 0.283 531 P C -0.506 176.803 177.300 0.015 0.000 1.271 531 P CA -0.332 62.768 63.100 0.001 0.000 0.841 531 P CB 1.201 32.905 31.700 0.007 0.000 1.122 532 A N 2.007 124.835 122.820 0.013 0.000 2.462 532 A HA 0.179 4.500 4.320 0.001 0.000 0.243 532 A C 0.283 177.944 177.584 0.128 0.000 1.076 532 A CA -0.297 51.792 52.037 0.086 0.000 0.773 532 A CB -0.581 18.475 19.000 0.094 0.000 1.010 532 A HN 0.564 nan 8.150 nan 0.000 0.493 533 L N 2.578 123.928 121.223 0.211 0.000 2.615 533 L HA -0.023 4.317 4.340 0.001 0.000 0.284 533 L C 2.021 178.936 176.870 0.076 0.000 1.237 533 L CA 1.782 56.692 54.840 0.117 0.000 0.905 533 L CB 0.192 42.302 42.059 0.085 0.000 1.149 533 L HN 0.954 nan 8.230 nan 0.000 0.499 534 T N -1.006 113.569 114.554 0.035 0.000 3.043 534 T HA -0.032 4.318 4.350 0.001 0.000 0.263 534 T C 0.692 175.394 174.700 0.003 0.000 1.094 534 T CA 0.183 62.295 62.100 0.020 0.000 1.127 534 T CB -0.241 68.634 68.868 0.010 0.000 0.905 534 T HN 0.536 nan 8.240 nan 0.000 0.490 535 D N 2.314 122.708 120.400 -0.010 0.000 2.383 535 D HA 0.049 4.689 4.640 0.001 0.000 0.245 535 D C 1.129 177.406 176.300 -0.038 0.000 1.263 535 D CA -0.134 53.851 54.000 -0.025 0.000 0.936 535 D CB 0.543 41.319 40.800 -0.040 0.000 1.053 535 D HN 0.330 nan 8.370 nan 0.000 0.507 536 E N 2.613 122.798 120.200 -0.026 0.000 2.150 536 E HA -0.192 4.159 4.350 0.001 0.000 0.193 536 E C 1.400 177.973 176.600 -0.046 0.000 0.985 536 E CA 0.781 57.161 56.400 -0.033 0.000 0.814 536 E CB 0.178 29.868 29.700 -0.016 0.000 0.752 536 E HN 0.692 nan 8.360 nan 0.000 0.466 537 Q N 0.327 120.114 119.800 -0.021 0.000 2.119 537 Q HA -0.065 4.276 4.340 0.001 0.000 0.201 537 Q C 2.186 178.164 176.000 -0.037 0.000 0.972 537 Q CA 1.184 56.990 55.803 0.005 0.000 0.847 537 Q CB -0.086 28.692 28.738 0.068 0.000 0.903 537 Q HN 0.218 nan 8.270 nan 0.000 0.433 538 A N 1.187 123.963 122.820 -0.073 0.000 1.855 538 A HA -0.087 4.233 4.320 0.001 0.000 0.215 538 A C 2.335 179.799 177.584 -0.200 0.000 1.191 538 A CA 1.436 53.402 52.037 -0.117 0.000 0.613 538 A CB -0.920 18.013 19.000 -0.112 0.000 0.829 538 A HN 0.382 nan 8.150 nan 0.000 0.442 539 A N 0.057 122.714 122.820 -0.271 0.000 1.884 539 A HA -0.305 4.016 4.320 0.001 0.000 0.219 539 A C 2.068 179.355 177.584 -0.495 0.000 1.197 539 A CA 2.268 53.959 52.037 -0.578 0.000 0.637 539 A CB -0.774 17.948 19.000 -0.463 0.000 0.827 539 A HN 0.734 nan 8.150 nan 0.000 0.450 540 E N -1.362 118.697 120.200 -0.234 0.000 2.077 540 E HA -0.293 4.057 4.350 0.001 0.000 0.193 540 E C 2.123 178.667 176.600 -0.093 0.000 0.989 540 E CA 1.537 57.862 56.400 -0.124 0.000 0.800 540 E CB -0.157 29.515 29.700 -0.046 0.000 0.746 540 E HN 0.545 nan 8.360 nan 0.000 0.452 541 Q N 0.082 119.827 119.800 -0.091 0.000 2.230 541 Q HA -0.034 4.307 4.340 0.001 0.000 0.202 541 Q C 2.010 177.969 176.000 -0.069 0.000 0.963 541 Q CA 0.799 56.572 55.803 -0.050 0.000 0.866 541 Q CB 0.036 28.750 28.738 -0.041 0.000 0.931 541 Q HN 0.211 nan 8.270 nan 0.000 0.452 542 V N 0.394 120.219 119.914 -0.148 0.000 2.261 542 V HA -0.264 3.856 4.120 0.001 0.000 0.246 542 V C 2.203 178.255 176.094 -0.070 0.000 1.047 542 V CA 2.189 64.407 62.300 -0.136 0.000 1.015 542 V CB -0.510 31.174 31.823 -0.231 0.000 0.642 542 V HN 0.493 nan 8.190 nan 0.000 0.446 543 E N -0.113 120.031 120.200 -0.092 0.000 2.070 543 E HA -0.254 4.097 4.350 0.001 0.000 0.197 543 E C 2.152 178.794 176.600 0.070 0.000 1.004 543 E CA 2.041 58.449 56.400 0.014 0.000 0.805 543 E CB -0.185 29.534 29.700 0.031 0.000 0.744 543 E HN 0.624 nan 8.360 nan 0.000 0.451 544 I N 0.601 121.229 120.570 0.096 0.000 2.202 544 I HA -0.289 3.882 4.170 0.001 0.000 0.242 544 I C 2.690 178.938 176.117 0.219 0.000 1.091 544 I CA 1.179 62.615 61.300 0.226 0.000 1.368 544 I CB -0.339 37.737 38.000 0.127 0.000 1.058 544 I HN 0.179 nan 8.210 nan 0.000 0.410 545 Q N 0.182 120.041 119.800 0.099 0.000 2.096 545 Q HA -0.194 4.146 4.340 0.001 0.000 0.204 545 Q C 2.427 178.459 176.000 0.054 0.000 0.982 545 Q CA 1.764 57.610 55.803 0.072 0.000 0.850 545 Q CB -0.232 28.522 28.738 0.026 0.000 0.901 545 Q HN 0.385 nan 8.270 nan 0.000 0.422 546 V N 1.356 121.284 119.914 0.023 0.000 2.237 546 V HA -0.272 3.849 4.120 0.001 0.000 0.245 546 V C 2.189 178.253 176.094 -0.051 0.000 1.046 546 V CA 1.720 64.010 62.300 -0.017 0.000 1.007 546 V CB -0.523 31.282 31.823 -0.032 0.000 0.638 546 V HN 0.303 nan 8.190 nan 0.000 0.445 547 K N -0.201 120.147 120.400 -0.086 0.000 2.044 547 K HA -0.190 4.131 4.320 0.001 0.000 0.210 547 K C 1.723 178.091 176.600 -0.386 0.000 1.049 547 K CA 1.917 58.023 56.287 -0.302 0.000 0.927 547 K CB -0.607 31.584 32.500 -0.515 0.000 0.713 547 K HN 0.591 nan 8.250 nan 0.000 0.443 548 Y N 0.832 121.132 120.300 -0.000 0.000 2.583 548 Y HA 0.143 4.694 4.550 0.001 0.000 0.294 548 Y C 1.784 177.686 175.900 0.003 0.000 1.170 548 Y CA -0.234 57.868 58.100 0.004 0.000 1.265 548 Y CB 0.183 38.650 38.460 0.011 0.000 1.119 548 Y HN 0.148 nan 8.280 nan 0.000 0.522 549 E N 0.534 120.775 120.200 0.069 0.000 2.274 549 E HA 0.013 4.363 4.350 0.001 0.000 0.194 549 E C 1.843 178.461 176.600 0.030 0.000 0.996 549 E CA 0.236 56.663 56.400 0.045 0.000 0.840 549 E CB -0.012 29.698 29.700 0.016 0.000 0.772 549 E HN 0.555 nan 8.360 nan 0.000 0.491 550 G N 0.000 108.807 108.800 0.012 0.000 5.446 550 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 550 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 550 G CA 0.000 45.102 45.100 0.003 0.000 0.502 550 G HN 0.000 nan 8.290 nan 0.000 0.925